Peak 6002 from nnoeabs.peaks (8.51, 8.51, 127.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 2 + H LEU 2 OK 100 100 - 100 Peak 6003 from nnoeabs.peaks (4.16, 8.51, 127.16 ppm; 3.52 A): 1 out of 7 assignments used, quality = 0.98: * HA MET 1 + H LEU 2 OK 98 100 - 98 - 3.6=96, 8002/3.0=14...(10) HA LYS 73 - H LEU 2 OK 18 81 - 22 - 3.0/6015=4, 12297/4.7=4...(10) HA GLN 72 - H LEU 2 OK 18 100 - 18 - 3.6/6015=4, 16/4.6=2...(8) HA LYS 13 - H LEU 2 lone 9 100 - 9 - 12305/4.7=1, 10355/4.0=1 HA LYS 47 - H LEU 2 lone 8 81 - 10 - 3.0/6008=2, 16/4.6=2, 9/4.6=2 HB2 SER 59 - H LEU 2 lone 3 100 - 3 - HA GLU 23 - H LEU 2 lone 3 90 - 3 - Peak 6004 from nnoeabs.peaks (1.94, 8.51, 127.16 ppm; 5.15 A): 1 out of 11 assignments used, quality = 1.00: * HB2 MET 1 + H LEU 2 OK 100 100 - 100 - 4.6=100 HB2 GLU 17 - H LEU 2 OK 41 100 - 42 - 12026/4.0=11, 739/4.6=9...(8) HB3 LYS 73 - H LEU 2 OK 19 77 - 25 - 4.1/6015=8, 3.0/6003=5...(5) HB2 LYS 73 - H LEU 2 OK 15 73 - 21 - 4.1/6015=8, 3.0/6003=5...(4) HB3 LYS 47 - H LEU 2 OK 12 70 - 18 - 1.8/6008=6, 3/3.6=4...(4) HB3 ARG 19 - H LEU 2 OK 12 87 - 13 - 3.9/8499=7 HB3 LYS 20 - H LEU 2 lone 10 97 - 10 - 3/3.6=3, 17/4.6=1, 15=1 HG3 GLU 88 - H LEU 2 lone 6 100 - 6 - 9914/9707=3 HB VAL 32 - H LEU 2 lone 6 100 - 6 - HB2 LYS 94 - H LEU 2 lone 6 61 - 10 - 2.9/6011=3, ~47=2 HB3 ARG 46 - H LEU 2 lone 5 65 - 8 - 1.8/6008=3, 3/3.6=1, 17/4.6=1 Peak 6005 from nnoeabs.peaks (2.00, 8.51, 127.16 ppm; 5.01 A): 1 out of 7 assignments used, quality = 1.00: * HB3 MET 1 + H LEU 2 OK 100 100 - 100 - 4.6=100 QE MET 74 - H LEU 2 OK 45 100 - 45 - 9603/4.0=15, 9588/4.6=11...(10) HB3 GLU 17 - H LEU 2 OK 39 99 - 40 - 4/3.6=9, 11/4.6=8...(10) HB2 GLU 35 - H LEU 2 OK 31 99 - 32 - 2.9/6006=6, 2.9/6006=6...(10) HB3 GLU 44 - H LEU 2 lone 9 100 - 8 - 4/3.6=2, 11/4.6=1 HB2 GLU 44 - H LEU 2 lone 9 100 - 8 - 4/3.6=2, 11/4.6=1 HB2 GLU 62 - H LEU 2 lone 4 84 - 4 - Peak 6006 from nnoeabs.peaks (2.20, 8.51, 127.16 ppm; 4.82 A): 6 out of 9 assignments used, quality = 0.92: * HG2 MET 1 + H LEU 2 OK 71 100 - 71 - 4.2/8=27, 29=27...(8) HG3 GLU 35 + H LEU 2 OK 31 100 - 31 - 5/3.6=6, 19/4.6=5...(9) HG2 GLU 35 + H LEU 2 OK 31 100 - 31 - 5/3.6=6, 19/4.6=5...(9) HG3 PRO 86 + H LEU 2 OK 23 100 - 24 - 8054/4.7=4, 12221/4.7=3...(9) HG2 GLU 43 + H LEU 2 OK 15 92 - 17 - 8058/4.7=4, 8054/4.7=4...(4) HB2 GLU 63 + H LEU 2 OK 10 100 - 10 - 8054/4.7=2, 8058/4.7=1...(5) HB3 GLU 75 - H LEU 2 lone 8 94 - 8 - 5/3.6=2, 19/4.6=1 HB2 GLU 95 - H LEU 2 lone 6 98 - 6 - 5/3.6=1 HG2 GLU 98 - H LEU 2 lone 1 70 - 2 - Peak 6007 from nnoeabs.peaks (2.42, 8.51, 127.16 ppm; 5.34 A): 5 out of 9 assignments used, quality = 0.93: * HG3 MET 1 + H LEU 2 OK 76 100 - 76 - 4.2/8=32, 36=27...(7) HG3 GLU 17 + H LEU 2 OK 41 90 - 46 - 20/4.6=9, 6/3.6=8...(10) HG2 GLN 72 + H LEU 2 OK 28 98 - 28 - 6/3.6=6, 3.9/6003=5...(8) HG3 GLU 48 + H LEU 2 OK 17 90 - 19 - 8056/4.7=6, 10184/4.0=3...(6) HG3 GLN 50 + H LEU 2 OK 14 84 - 17 - 8056/4.7=8, 6/3.6=2...(5) HB2 ASP 11 - H LEU 2 lone 5 81 - 7 - 8056/4.7=1 HG2 GLN 50 - H LEU 2 lone 5 65 - 7 - 9098/4.7=2 HG3 MET 21 - H LEU 2 lone 4 65 - 6 - 6/3.6=2 HB3 MET 21 - H LEU 2 lone 4 61 - 6 - 6/3.6=1 Peak 6008 from nnoeabs.peaks (1.98, 8.51, 127.16 ppm; 4.89 A): 7 out of 9 assignments used, quality = 0.93: * QE MET 1 + H LEU 2 OK 81 100 - 81 - 43=29, 5.3/8=21...(10) HB2 LYS 47 + H LEU 2 OK 25 96 - 26 - 7/3.6=7, 21/4.6=6...(8) HB2 LYS 73 + H LEU 2 OK 16 61 - 25 - 4.1/6015=7, 3.0/6003=5...(6) HB2 LYS 24 + H LEU 2 OK 14 81 - 18 - 2.9/6012=3, 7/3.6=2...(8) HB3 LYS 24 + H LEU 2 OK 14 81 - 18 - 2.9/6012=3, 7/3.6=2...(8) HB2 ARG 46 + H LEU 2 OK 14 100 - 14 - 7/3.6=3, 21/4.6=3...(4) HB3 MET 74 + H LEU 2 OK 12 81 - 15 - 21/4.6=4, 7/3.6=4, 14/4.6=3 HB2 GLU 37 - H LEU 2 lone 9 100 - 8 - 7/3.6=1, 8837/4.7=1, 21/4.6=1 HB3 ARG 46 - H LEU 2 lone 5 70 - 7 - 7/3.6=1, 21/4.6=1, 14/4.6=1 Peak 6009 from nnoeabs.peaks (4.46, 8.51, 127.16 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 2 + H LEU 2 OK 100 100 - 100 - 3.0=100 Peak 6010 from nnoeabs.peaks (1.70, 8.51, 127.16 ppm; 4.05 A): 1 out of 16 assignments used, quality = 1.00: * HB2 LEU 2 + H LEU 2 OK 100 100 - 100 - 4.0=100 HG LEU 70 - H LEU 2 OK 22 100 - 22 - 46/3.0=3, 62/4.0=3...(11) HG12 ILE 15 - H LEU 2 OK 17 96 - 18 - 62/4.0=3, 46/3.0=3...(8) HD3 LYS 24 - H LEU 2 OK 15 99 - 15 - 3.0/6012=2, 3.6/6008=2...(10) HD2 LYS 24 - H LEU 2 OK 15 98 - 15 - 3.0/6012=2, 3.6/6008=2...(9) HB3 LEU 70 - H LEU 2 OK 14 81 - 18 - 46/3.0=2, 3.1/6013=2...(9) HG2 PRO 86 - H LEU 2 OK 13 94 - 14 - 1.8/6006=3, 46/3.0=2...(8) HD2 LYS 13 - H LEU 2 OK 12 100 - 11 - 46/3.0=1, 62/4.0=1...(5) HD3 LYS 13 - H LEU 2 OK 11 100 - 11 - 46/3.0=1, 62/4.0=1...(5) HD3 LYS 66 - H LEU 2 lone 7 100 - 7 - 10782/4.7=2 HD3 LYS 12 - H LEU 2 lone 7 100 - 7 - HD2 LYS 12 - H LEU 2 lone 7 100 - 7 - HB3 LYS 53 - H LEU 2 lone 7 73 - 9 - 6019/4.6=2 HD3 LYS 90 - H LEU 2 lone 5 99 - 5 - HB3 LYS 40 - H LEU 2 lone 2 65 - 4 - HB3 ARG 91 - H LEU 2 lone 2 61 - 3 - Peak 6011 from nnoeabs.peaks (1.33, 8.51, 127.16 ppm; 4.52 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LEU 2 + H LEU 2 OK 100 100 - 100 - 4.0=100 QB ALA 25 - H LEU 2 OK 25 98 - 26 - 3.6/6015=5, 1158/4.6=5...(8) HG2 LYS 94 - H LEU 2 OK 19 98 - 20 - 47/3.0=3, 55/4.0=3...(7) QB ALA 67 - H LEU 2 OK 18 99 - 18 - 9526/4.7=3, 47/3.0=2...(8) HB3 LEU 27 - H LEU 2 OK 14 90 - 16 - 6020/4.6=5, 47/3.0=3...(6) HG LEU 14 - H LEU 2 OK 14 70 - 21 - 3.0/6012=3, 47/3.0=3...(9) QB ALA 89 - H LEU 2 OK 13 98 - 13 - 55/4.0=2, 47/3.0=2...(7) HB2 LYS 82 - H LEU 2 OK 13 92 - 14 - 6020/4.6=3, 47/3.0=2...(6) HG2 LYS 39 - H LEU 2 OK 12 87 - 14 - 79/4.7=2, 87/4.7=2...(6) HG3 LYS 68 - H LEU 2 lone 3 73 - 5 - Peak 6012 from nnoeabs.peaks (1.51, 8.51, 127.16 ppm; 4.21 A): 2 out of 12 assignments used, quality = 0.93: * HG LEU 2 + H LEU 2 OK 89 100 - 89 - 4.7=71, ~77=23...(9) HB ILE 7 + H LEU 2 OK 39 97 - 40 - 48/3.0=6, 64/4.0=6...(10) HB2 LEU 14 - H LEU 2 OK 21 97 - 22 - 56/4.0=3, 48/3.0=3...(9) HB3 LEU 103 - H LEU 2 OK 18 96 - 19 - 56/4.0=3, 64/4.0=3...(7) HG3 LYS 24 - H LEU 2 OK 17 97 - 18 - 2.9/6008=2, 2.9/6008=2...(11) HG LEU 57 - H LEU 2 OK 16 81 - 20 - 80/4.7=3, 64/4.0=3...(9) HG12 ILE 56 - H LEU 2 OK 13 73 - 18 - 3.2/9309=6, 4.9/9297=4...(5) HG3 ARG 30 - H LEU 2 OK 11 77 - 14 - 6021/4.6=2, 2.9/1328=1...(6) HG LEU 6 - H LEU 2 lone 8 92 - 9 - 6021/4.6=1, 56/4.0=1, 48/3.0=1 HG2 ARG 79 - H LEU 2 poor 8 61 - 13 - 3.0/3514=2, 3.0/3505=2 HG3 LYS 13 - H LEU 2 poor 8 65 - 12 - 3.9/6003=2, 3.0/6010=1...(4) HG3 LYS 33 - H LEU 2 lone 4 90 - 4 - Peak 6013 from nnoeabs.peaks (0.81, 8.51, 127.16 ppm; 4.71 A): 2 out of 10 assignments used, quality = 1.00: * QD2 LEU 2 + H LEU 2 OK 100 100 - 100 - 4.7=100 QD1 ILE 76 + H LEU 2 OK 47 96 - 49 - 10286/4.0=11, 10888=9...(10) QG2 ILE 7 - H LEU 2 OK 41 92 - 45 - 2.1/6012=6, 49/3.0=6...(11) QD2 LEU 70 - H LEU 2 OK 30 100 - 30 - 49/3.0=4, 2.1/6010=4...(11) QD1 LEU 70 - H LEU 2 OK 29 97 - 30 - 49/3.0=4, 2.1/6010=4...(11) QG2 ILE 15 - H LEU 2 OK 26 100 - 26 - 49/3.0=3, 57/4.0=3...(10) QD2 LEU 57 - H LEU 2 OK 23 84 - 28 - 49/3.0=3, 65/4.0=3...(12) QD1 LEU 57 - H LEU 2 OK 13 61 - 22 - 2.1/6012=3, 9272/9279=2...(11) QD2 LEU 103 - H LEU 2 OK 12 65 - 18 - 3.1/6012=3, 4501/4.7=2...(9) QD2 LEU 38 - H LEU 2 lone 6 81 - 8 - Peak 6014 from nnoeabs.peaks (0.88, 8.51, 127.16 ppm; 5.27 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 2 + H LEU 2 OK 100 100 - 100 - 4.7=100 QG2 ILE 76 + H LEU 2 OK 55 100 - 55 - 9628=13, 3.2/10888=11...(10) HG13 ILE 7 + H LEU 2 OK 48 90 - 54 - 66/4.0=9, 50/3.0=9...(11) HG13 ILE 8 - H LEU 2 OK 28 99 - 28 - 50/3.0=5, 58/4.0=4...(8) QD1 LEU 103 - H LEU 2 OK 16 65 - 24 - 74/4.7=4, 66/4.0=3...(10) Peak 6015 from nnoeabs.peaks (7.84, 8.51, 127.16 ppm; 5.30 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 3 + H LEU 2 OK 100 100 - 100 - 4.6=100 H LYS 73 + H LEU 2 OK 59 100 - 59 - 83/4.7=11, 67/4.0=10...(13) H ASN 26 - H LEU 2 OK 41 99 - 41 - 67/4.0=9, 51/3.0=8...(7) Peak 6016 from nnoeabs.peaks (7.84, 7.84, 122.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 3 + H LEU 3 OK 100 100 - 100 Peak 6017 from nnoeabs.peaks (8.51, 7.84, 122.56 ppm; 5.42 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 2 + H LEU 3 OK 100 100 - 100 - 4.6=100 H ARG 79 - H LEU 3 OK 34 92 - 37 - 44/3.6=7, 60/4.6=6...(9) H THR 31 - H LEU 3 OK 33 84 - 39 - 44/3.6=5, 76/5.0=5...(12) H VAL 54 - H LEU 3 OK 20 61 - 32 - 11100/4.6=8, 4.0/12276=3...(9) Peak 6018 from nnoeabs.peaks (4.46, 7.84, 122.56 ppm; 2.98 A): 1 out of 1 assignment used, quality = 0.78: * HA LEU 2 + H LEU 3 OK 78 100 - 78 - 3.6=58, 77/5.0=10...(11) Peak 6019 from nnoeabs.peaks (1.70, 7.84, 122.56 ppm; 4.63 A): 1 out of 16 assignments used, quality = 1.00: * HB2 LEU 2 + H LEU 3 OK 100 100 - 100 - 4.6=100 HB3 LYS 53 - H LEU 3 OK 36 73 - 49 - ~9202=10, 9209/4.6=10...(11) HG12 ILE 15 - H LEU 3 OK 29 96 - 31 - 1.8/12276=5, 2.1/12276=4...(11) HG LEU 70 - H LEU 3 OK 26 100 - 26 - 3.7/10810=4, 46/3.6=4...(9) HG2 PRO 86 - H LEU 3 OK 22 94 - 24 - ~9891=6, ~9858=4...(9) HB3 LEU 70 - H LEU 3 OK 18 81 - 22 - 3.0/10810=5, 3.1/6022=3...(9) HD3 LYS 90 - H LEU 3 OK 17 99 - 17 - 2.9/6027=4, 3983/5.0=2...(6) HD3 LYS 24 - H LEU 3 OK 14 99 - 14 - 3.0/6021=2, 46/3.6=2...(7) HD2 LYS 24 - H LEU 3 OK 14 98 - 14 - 3.0/6021=2, 46/3.6=2...(7) HB3 LYS 40 - H LEU 3 OK 13 65 - 20 - 2.9/6026=4, 1799/4.0=4...(7) HD3 LYS 66 - H LEU 3 OK 12 100 - 12 - 6.1/11124=2, 10782/5.0=2 HD2 LYS 13 - H LEU 3 OK 12 100 - 12 - 46/3.6=2, 62/4.6=1...(5) HD3 LYS 13 - H LEU 3 OK 12 100 - 12 - 46/3.6=2, 62/4.6=1...(5) HD2 LYS 12 - H LEU 3 OK 10 100 - 10 - 3.0/3271=1 HD3 LYS 12 - H LEU 3 OK 10 100 - 10 - 3.0/3271=1 HB3 ARG 91 - H LEU 3 lone 3 61 - 5 - Peak 6020 from nnoeabs.peaks (1.33, 7.84, 122.56 ppm; 3.71 A): 3 out of 10 assignments used, quality = 0.91: * HB3 LEU 2 + H LEU 3 OK 81 100 - 81 - 4.6=51, 3.0/6018=35...(6) HB3 LEU 27 + H LEU 3 OK 38 90 - 42 - 3.0/8088=11...(12) QB ALA 25 + H LEU 3 OK 29 98 - 29 - 1158=8, 2.9/6409=4...(10) HB2 LYS 82 - H LEU 3 OK 21 92 - 23 - 3653/4.0=5, 2.9/6026=4...(6) HG2 LYS 94 - H LEU 3 OK 15 98 - 16 - 4218/4.6=3, 4.9/6030=2...(7) QB ALA 67 - H LEU 3 OK 10 99 - 10 - 9526/5.0=2, 47/3.6=2...(5) QB ALA 89 - H LEU 3 OK 10 98 - 10 - 9939/4.6=1, 47/3.6=1...(5) HG LEU 14 - H LEU 3 poor 10 70 - 14 - 3.0/6021=2, 47/3.6=2...(7) HG2 LYS 39 - H LEU 3 lone 9 87 - 10 - 3.9/10559=2, 79/5.0=1...(4) HG3 LYS 68 - H LEU 3 lone 2 73 - 3 - Peak 6021 from nnoeabs.peaks (1.51, 7.84, 122.56 ppm; 3.81 A): 8 out of 12 assignments used, quality = 0.93: * HG LEU 2 + H LEU 3 OK 67 100 - 67 - 3.7/6018=30, 2.1/83=17...(7) HB ILE 7 + H LEU 3 OK 44 97 - 46 - 3.0/6024=6, 2.1/6022=6...(15) HB2 LEU 14 + H LEU 3 OK 18 97 - 18 - 48/3.6=2, 56/4.6=2...(10) HG3 ARG 30 + H LEU 3 OK 16 77 - 20 - 1.8/6027=7, 4.0/11124=4...(4) HG LEU 57 + H LEU 3 OK 16 81 - 19 - 2.1/6022=2, 80/5.0=2...(12) HG LEU 6 + H LEU 3 OK 12 92 - 13 - 8224/3.0=2, ~8226=2...(4) HB3 LEU 103 + H LEU 3 OK 12 96 - 13 - 56/4.6=2, 64/4.6=2...(6) HG3 LYS 24 + H LEU 3 OK 11 97 - 12 - 48/3.6=1, 6012/4.6=1, 5.1/8591=1 HG3 LYS 33 - H LEU 3 lone 7 90 - 8 - 1.8/6025=2, ~94=1...(4) HG12 ILE 56 - H LEU 3 lone 6 73 - 8 - ~9306=1 HG2 ARG 79 - H LEU 3 lone 5 61 - 8 - 4.7/6017=2 HG3 LYS 13 - H LEU 3 lone 5 65 - 7 - Peak 6022 from nnoeabs.peaks (0.81, 7.84, 122.56 ppm; 4.07 A): 3 out of 10 assignments used, quality = 0.93: * QD2 LEU 2 + H LEU 3 OK 83 100 - 83 - 5.0=55, 77/3.6=33...(6) QG2 ILE 7 + H LEU 3 OK 45 92 - 49 - 2.1/6021=8, 3.0/6024=7...(14) QD1 ILE 76 + H LEU 3 OK 26 96 - 28 - 10286/4.6=7, 10888/4.6=5...(6) QG2 ILE 15 - H LEU 3 OK 25 100 - 25 - 3.2/12276=3, 10123/4.0=3...(10) QD2 LEU 70 - H LEU 3 OK 20 100 - 20 - 4.0/10810=3, 49/3.6=3...(9) QD2 LEU 57 - H LEU 3 OK 19 84 - 22 - 2.1/6021=3, 49/3.6=2...(12) QD1 LEU 70 - H LEU 3 OK 18 97 - 19 - 4.0/10810=3, 49/3.6=3...(8) QD1 LEU 57 - H LEU 3 OK 10 61 - 17 - 2.1/6021=3, ~10688=2...(9) QD2 LEU 103 - H LEU 3 lone 6 65 - 9 - 3.1/6021=2, 49/3.6=1...(6) QD2 LEU 38 - H LEU 3 lone 3 81 - 4 - Peak 6023 from nnoeabs.peaks (0.88, 7.84, 122.56 ppm; 5.03 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 2 + H LEU 3 OK 100 100 - 100 - 5.0=100 HG13 ILE 7 + H LEU 3 OK 56 90 - 62 - 2.9/6021=9, 3.9/6024=8...(14) QG2 ILE 76 - H LEU 3 OK 40 100 - 40 - 9628/4.6=7, 50/3.6=7...(10) HG13 ILE 8 - H LEU 3 OK 32 99 - 32 - 8305/3.0=6, ~8303=4...(9) QD1 LEU 103 - H LEU 3 OK 11 65 - 17 - 66/4.6=3, 58/4.6=3...(7) Peak 6024 from nnoeabs.peaks (5.13, 7.84, 122.56 ppm; 4.00 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 3 + H LEU 3 OK 100 100 - 100 - 3.0=100 HA TYR 4 + H LEU 3 OK 46 77 - 60 - 3.0/6032=18, ~99=10...(16) HA ILE 7 + H LEU 3 OK 46 100 - 46 - 3.0/6021=6, 109/4.0=5...(15) HA SER 85 - H LEU 3 OK 13 96 - 13 - 109/4.0=2, 101/4.0=2...(6) Peak 6025 from nnoeabs.peaks (1.55, 7.84, 122.56 ppm; 3.57 A): 2 out of 7 assignments used, quality = 0.93: * HB2 LEU 3 + H LEU 3 OK 90 100 - 90 - 4.0=70, 3.1/6029=22...(10) HD3 LYS 53 + H LEU 3 OK 29 100 - 30 - 94/3.0=6, 110/4.0=5...(8) HB3 GLU 28 - H LEU 3 OK 22 92 - 24 - 4.0/11124=11, 6034/4.6=3...(8) HD3 LYS 82 - H LEU 3 OK 22 84 - 26 - 3708/4.0=4, 94/3.0=4...(10) HG2 LYS 33 - H LEU 3 lone 9 99 - 9 - 10522/4.0=2, 94/3.0=2 HG3 ARG 79 - H LEU 3 lone 4 65 - 6 - 4.7/6017=2 HG2 ARG 79 - H LEU 3 lone 3 61 - 5 - 4.7/6017=2 Peak 6026 from nnoeabs.peaks (1.15, 7.84, 122.56 ppm; 4.06 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 3 + H LEU 3 OK 100 100 - 100 - 4.0=100 HG3 LYS 82 - H LEU 3 OK 30 87 - 35 - 95/3.0=6, 103/4.0=6...(10) HG2 LYS 40 - H LEU 3 OK 23 96 - 24 - 95/3.0=5, 103/4.0=4...(7) HB2 LEU 29 - H LEU 3 OK 21 92 - 23 - 95/3.0=5, 103/4.0=4...(7) QG2 THR 31 - H LEU 3 OK 19 94 - 20 - 4.0/6017=3, 95/3.0=3...(10) Peak 6027 from nnoeabs.peaks (1.30, 7.84, 122.56 ppm; 3.63 A): 4 out of 4 assignments used, quality = 0.92: * HG LEU 3 + H LEU 3 OK 83 100 - 83 - 5.0=39, 2.1/6029=27...(8) HG2 ARG 30 + H LEU 3 OK 27 99 - 27 - 96/3.0=4, 4.0/11124=4...(9) HB3 LEU 42 + H LEU 3 OK 24 99 - 24 - 96/3.0=4, 104/4.0=4...(7) HG2 LYS 90 + H LEU 3 OK 14 87 - 16 - 104/4.0=3, 112/4.0=3...(6) Peak 6028 from nnoeabs.peaks (0.26, 7.84, 122.56 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.98: * QD2 LEU 3 + H LEU 3 OK 98 100 - 98 - 4.7=83, 97/3.0=40...(7) Peak 6029 from nnoeabs.peaks (0.46, 7.84, 122.56 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.95: * QD1 LEU 3 + H LEU 3 OK 95 100 - 95 - 4.7=69, 2.1/6028=33...(11) Peak 6030 from nnoeabs.peaks (8.36, 7.84, 122.56 ppm; 5.24 A): 2 out of 3 assignments used, quality = 1.00: * H TYR 4 + H LEU 3 OK 100 100 - 100 - 4.6=100 H ILE 93 + H LEU 3 OK 51 100 - 51 - 107/4.0=9, 10006/4.6=8...(10) H GLU 95 - H LEU 3 OK 40 100 - 40 - 139/4.7=7, 115/4.0=7...(8) Peak 6031 from nnoeabs.peaks (8.36, 8.36, 119.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 4 + H TYR 4 OK 100 100 - 100 Peak 6032 from nnoeabs.peaks (7.84, 8.36, 119.31 ppm; 4.31 A): 1 out of 3 assignments used, quality = 0.96: * H LEU 3 + H TYR 4 OK 96 100 - 96 - 4.6=81, 3.0/99=29...(13) H ASN 26 - H TYR 4 OK 25 99 - 25 - 92/3.6=6, 108/4.4=5...(6) H LYS 73 - H TYR 4 OK 24 100 - 24 - 92/3.6=5, 100/4.4=5...(6) Peak 6033 from nnoeabs.peaks (5.13, 8.36, 119.31 ppm; 2.73 A): 3 out of 4 assignments used, quality = 0.92: * HA LEU 3 + H TYR 4 OK 70 100 - 70 - 3.6=45, 3.9/6037=11...(16) HA TYR 4 + H TYR 4 OK 67 77 - 86 - 3.0=79, 3.0/6040=12...(12) HA ILE 7 + H TYR 4 OK 16 100 - 16 - 8239/4.6=3, 109/4.4=2...(6) HA SER 85 - H TYR 4 lone 5 96 - 5 - Peak 6034 from nnoeabs.peaks (1.55, 8.36, 119.31 ppm; 4.12 A): 3 out of 7 assignments used, quality = 0.99: * HB2 LEU 3 + H TYR 4 OK 97 100 - 97 - 4.4=81, 3.1/6037=32...(19) HB3 GLU 28 + H TYR 4 OK 48 92 - 53 - 8657/3.0=14, ~8656=11...(15) HD3 LYS 53 + H TYR 4 OK 48 100 - 48 - 5.9/11098=9, 3.6/8138=7...(15) HD3 LYS 82 - H TYR 4 OK 22 84 - 27 - 3708/4.4=5, 94/3.6=5...(8) HG2 LYS 33 - H TYR 4 OK 13 99 - 13 - 10522/4.4=2, 94/3.6=2...(5) HG3 ARG 79 - H TYR 4 lone 6 65 - 9 - 8135/3.0=1 HG2 ARG 79 - H TYR 4 lone 5 61 - 8 - Peak 6035 from nnoeabs.peaks (1.15, 8.36, 119.31 ppm; 4.05 A): 1 out of 5 assignments used, quality = 0.96: * HB3 LEU 3 + H TYR 4 OK 96 100 - 96 - 4.4=77, 3.1/6037=31...(17) HB2 LEU 29 - H TYR 4 OK 35 92 - 38 - 3.1/8134=8, 8184/4.6=8...(12) HG3 LYS 82 - H TYR 4 OK 23 87 - 27 - 95/3.6=5, 103/4.4=5...(7) HG2 LYS 40 - H TYR 4 OK 21 96 - 22 - 95/3.6=4, 103/4.4=4...(7) QG2 THR 31 - H TYR 4 OK 15 94 - 16 - 4.0/8122=3, 95/3.6=2...(6) Peak 6036 from nnoeabs.peaks (1.30, 8.36, 119.31 ppm; 4.63 A): 2 out of 4 assignments used, quality = 0.96: * HG LEU 3 + H TYR 4 OK 93 100 - 93 - 2.1/6037=45, 2.1/6038=34...(19) HG2 ARG 30 + H TYR 4 OK 39 99 - 39 - 96/3.6=6, 6027/4.6=5...(10) HB3 LEU 42 - H TYR 4 OK 38 99 - 38 - 96/3.6=6, 104/4.4=6...(9) HG2 LYS 90 - H TYR 4 OK 26 87 - 30 - 104/4.4=4, 128/5.0=4...(10) Peak 6037 from nnoeabs.peaks (0.26, 8.36, 119.31 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.90: * QD2 LEU 3 + H TYR 4 OK 90 100 - 90 - 5.0=46, 97/3.6=28...(18) Peak 6038 from nnoeabs.peaks (0.46, 8.36, 119.31 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 3 + H TYR 4 OK 100 100 - 100 - 5.0=97, 2.1/6037=48...(18) Peak 6039 from nnoeabs.peaks (5.14, 8.36, 119.31 ppm; 2.77 A): 2 out of 5 assignments used, quality = 0.95: * HA TYR 4 + H TYR 4 OK 89 100 - 89 - 3.0=83, 3.0/6040=13...(12) HA LEU 3 + H TYR 4 OK 55 77 - 71 - 3.6=47, 3.9/6037=11...(14) HA VAL 54 - H TYR 4 OK 32 73 - 44 - 3.6/8121=8, 3.2/8134=7...(16) HA ILE 7 - H TYR 4 OK 12 87 - 14 - 8239/4.6=2, 109/4.4=2...(8) HA SER 85 - H TYR 4 lone 5 97 - 5 - Peak 6040 from nnoeabs.peaks (2.29, 8.36, 119.31 ppm; 3.31 A): 1 out of 5 assignments used, quality = 0.81: * HB2 TYR 4 + H TYR 4 OK 81 100 - 81 - 3.8=67, 3.0/6039=14...(13) HB2 GLU 48 - H TYR 4 lone 9 97 - 9 - 142/3.0=2, 156/3.8=2 HD3 ARG 81 - H TYR 4 poor 8 70 - 12 - ~10366=3, 142/3.0=3...(5) HG2 GLU 63 - H TYR 4 lone 7 99 - 7 - 142/3.0=2, 156/3.8=1 HG3 GLU 16 - H TYR 4 lone 5 97 - 5 - 142/3.0=1 Peak 6041 from nnoeabs.peaks (2.46, 8.36, 119.31 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 4 + H TYR 4 OK 100 100 - 100 - 3.8=100 HG3 GLU 98 - H TYR 4 lone 5 77 - 6 - 143/3.0=2, 150/3.8=1, 6049/4.6=1 Peak 6042 from nnoeabs.peaks (6.43, 8.36, 119.31 ppm; 3.73 A): 4 out of 4 assignments used, quality = 0.96: HD2 TYR 4 + H TYR 4 OK 67 100 - 67 - 5.4=33, 3.7/6040=19...(13) * HD1 TYR 4 + H TYR 4 OK 65 100 - 65 - 5.6=29, 3.7/6040=19...(13) HE1 TYR 4 + H TYR 4 OK 40 87 - 47 - 7.6=12, 5.4/6040=11...(12) HE2 TYR 4 + H TYR 4 OK 37 81 - 47 - 7.4=13, 5.4/6040=11...(12) Peak 6044 from nnoeabs.peaks (8.92, 8.36, 119.31 ppm; 5.29 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 5 + H TYR 4 OK 100 100 - 100 - 4.6=100 H LEU 57 - H TYR 4 OK 31 90 - 35 - 146/3.0=7, 153/3.8=7...(10) H ARG 19 - H TYR 4 OK 13 65 - 19 - 4.7/8121=2, 3.9/8137=2...(8) Peak 6045 from nnoeabs.peaks (8.92, 8.92, 119.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 5 + H VAL 5 OK 100 100 - 100 Peak 6046 from nnoeabs.peaks (8.36, 8.92, 119.95 ppm; 4.76 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 4 + H VAL 5 OK 100 100 - 100 - 4.6=100 H ILE 93 - H VAL 5 OK 31 100 - 31 - 140/3.6=7, 5.0/11005=6...(8) H GLU 95 - H VAL 5 OK 19 100 - 19 - 140/3.6=5, 147/4.6=3...(5) Peak 6047 from nnoeabs.peaks (5.14, 8.92, 119.95 ppm; 2.85 A): 4 out of 5 assignments used, quality = 0.85: * HA TYR 4 + H VAL 5 OK 71 100 - 71 - 3.6=51, 3.0/6049=14...(10) HA ILE 7 + H VAL 5 OK 24 87 - 28 - 8239=4, 3.0/8245=4...(9) HA VAL 54 + H VAL 5 OK 20 73 - 27 - 3.2/8183=5, 3.6/8161=4...(9) HA LEU 3 + H VAL 5 OK 12 77 - 16 - 99/4.6=5, 3.0/8187=3...(5) HA SER 85 - H VAL 5 lone 3 97 - 3 - Peak 6048 from nnoeabs.peaks (2.29, 8.92, 119.95 ppm; 4.28 A): 1 out of 5 assignments used, quality = 0.95: * HB2 TYR 4 + H VAL 5 OK 95 100 - 95 - 4.6=78, 1.8/6049=41...(12) HD3 ARG 81 - H VAL 5 OK 18 70 - 26 - 3.4/6055=5, 3630/4.0=4...(10) HB2 GLU 48 - H VAL 5 OK 12 97 - 12 - 142/3.6=3, 6040/4.6=2...(4) HG2 GLU 63 - H VAL 5 OK 11 99 - 11 - 142/3.6=2, 6040/4.6=2, 156/4.6=2 HG3 GLU 16 - H VAL 5 lone 8 97 - 8 - 142/3.6=2, 6040/4.6=1, 156/4.6=1 Peak 6049 from nnoeabs.peaks (2.46, 8.92, 119.95 ppm; 3.83 A): 1 out of 2 assignments used, quality = 0.81: * HB3 TYR 4 + H VAL 5 OK 81 100 - 81 - 4.6=56, 3.0/146=29...(9) HG3 GLU 98 - H VAL 5 lone 4 77 - 5 - 143/3.6=2 Peak 6050 from nnoeabs.peaks (6.43, 8.92, 119.95 ppm; 4.13 A): 4 out of 4 assignments used, quality = 0.95: * HD1 TYR 4 + H VAL 5 OK 64 100 - 64 - 3.7/6049=26, 4.2/146=23...(9) HD2 TYR 4 + H VAL 5 OK 63 100 - 64 - 3.7/6049=26, 4.3/146=23...(9) HE1 TYR 4 + H VAL 5 OK 40 87 - 46 - 5.4/6049=16, 6.3/146=11...(8) HE2 TYR 4 + H VAL 5 OK 37 81 - 46 - 5.4/6049=16, 6.4/146=11...(8) Peak 6052 from nnoeabs.peaks (5.11, 8.92, 119.95 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 5 + H VAL 5 OK 100 100 - 100 - 3.0=100 Peak 6053 from nnoeabs.peaks (1.86, 8.92, 119.95 ppm; 3.41 A): 6 out of 7 assignments used, quality = 0.91: * HB VAL 5 + H VAL 5 OK 82 100 - 82 - 3.9=64, 2.1/179=18...(9) HB2 LYS 12 + H VAL 5 OK 13 100 - 13 - 163/3.0=2, 181/4.0=2...(6) HB3 LYS 39 + H VAL 5 OK 13 100 - 13 - 163/3.0=2, 3.0/8186=2...(6) HB3 LYS 12 + H VAL 5 OK 12 99 - 12 - 163/3.0=2, 181/4.0=2...(6) HB3 LYS 66 + H VAL 5 OK 12 100 - 12 - 4.0/8163=2, 163/3.0=1...(4) HB3 LYS 68 + H VAL 5 OK 12 92 - 13 - 163/3.0=2, 181/4.0=2...(5) HB3 GLU 104 - H VAL 5 lone 2 94 - 2 - Peak 6054 from nnoeabs.peaks (0.73, 8.92, 119.95 ppm; 3.56 A): 3 out of 12 assignments used, quality = 0.95: * QG1 VAL 5 + H VAL 5 OK 87 100 - 87 - 4.0=71, 2.1/167=20...(9) HG13 ILE 56 + H VAL 5 OK 40 87 - 46 - 3.2/2576=7, 1.8/2584=7...(13) QD2 LEU 27 + H VAL 5 OK 32 100 - 32 - 4.7/8650=9, 10488/3.6=4...(9) QD1 ILE 56 - H VAL 5 OK 25 61 - 40 - 3.0/2576=7, 2.1/2584=6...(12) QG2 VAL 78 - H VAL 5 OK 22 99 - 22 - 174/3.0=5, 10907/4.0=4...(5) HG3 ARG 81 - H VAL 5 OK 19 84 - 23 - 3612/4.0=5, 2.9/6055=4...(8) QG1 VAL 58 - H VAL 5 OK 18 98 - 19 - 4.0/6944=3, 10714=2...(8) HG13 ILE 93 - H VAL 5 OK 13 70 - 19 - 2.1/11005=4, 10018/4.0=3...(7) QD1 ILE 8 - H VAL 5 poor 9 70 - 13 - 5.0/8292=5 QG1 VAL 78 - H VAL 5 poor 9 61 - 14 - 2.1/173=2, ~174=2...(7) QD2 LEU 14 - H VAL 5 poor 8 65 - 12 - 3.1/8242=2, 2.1/8185=2 QD1 LEU 64 - H VAL 5 lone 4 77 - 5 - Peak 6055 from nnoeabs.peaks (0.95, 8.92, 119.95 ppm; 3.43 A): 4 out of 4 assignments used, quality = 0.92: * QG2 VAL 5 + H VAL 5 OK 83 100 - 83 - 4.0=64, 2.1/167=19...(12) HG LEU 55 + H VAL 5 OK 35 65 - 54 - ~9261=10, ~9249=8...(11) HB2 ARG 81 + H VAL 5 OK 20 81 - 25 - 165/3.0=4, 171/3.9=4...(9) QG2 VAL 83 + H VAL 5 OK 12 70 - 17 - 4.0/8162=3, ~8189=2...(7) Peak 6056 from nnoeabs.peaks (9.31, 8.92, 119.95 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 6 + H VAL 5 OK 100 100 - 100 - 4.7=100 H LYS 33 - H VAL 5 OK 34 90 - 38 - 166/3.0=7, 184/4.0=6...(14) Peak 6057 from nnoeabs.peaks (9.31, 9.31, 126.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 6 + H LEU 6 OK 100 100 - 100 Peak 6058 from nnoeabs.peaks (8.92, 9.31, 126.92 ppm; 3.94 A): 2 out of 3 assignments used, quality = 0.98: * H VAL 5 + H LEU 6 OK 92 100 - 92 - 4.7=61, 3.0/6059=39...(18) H LEU 57 + H LEU 6 OK 72 90 - 80 - 9333=25, 3.6/8216=18...(19) H ARG 19 - H LEU 6 lone 6 65 - 9 - 179/4.1=2, 167/4.4=2...(4) Peak 6059 from nnoeabs.peaks (5.11, 9.31, 126.92 ppm; 2.86 A): 1 out of 1 assignment used, quality = 0.75: * HA VAL 5 + H LEU 6 OK 75 100 - 75 - 3.6=52, 3.2/178=11...(15) Peak 6060 from nnoeabs.peaks (1.86, 9.31, 126.92 ppm; 4.37 A): 1 out of 7 assignments used, quality = 0.99: * HB VAL 5 + H LEU 6 OK 99 100 - 99 - 4.4=96, 3.0/6059=44...(8) HB3 LYS 68 - H LEU 6 OK 23 92 - 26 - ~10372=3, 163/3.6=3...(10) HB3 LYS 39 - H LEU 6 OK 15 100 - 15 - 163/3.6=3, 181/4.1=2...(6) HB2 LYS 12 - H LEU 6 OK 12 100 - 12 - 163/3.6=3, 181/4.1=3...(4) HB3 LYS 12 - H LEU 6 OK 11 99 - 12 - 163/3.6=3, 181/4.1=3...(4) HB3 LYS 66 - H LEU 6 lone 9 100 - 9 - 6053/4.7=2, 163/3.6=2...(4) HB3 GLU 104 - H LEU 6 lone 3 94 - 3 - Peak 6061 from nnoeabs.peaks (0.73, 9.31, 126.92 ppm; 3.02 A): 6 out of 12 assignments used, quality = 0.92: * QG1 VAL 5 + H LEU 6 OK 75 100 - 75 - 4.1=39, 3.2/6059=23...(12) HG13 ILE 56 + H LEU 6 OK 40 87 - 46 - 3.9/8216=9, 3.2/8232=9...(14) QD1 ILE 56 + H LEU 6 OK 24 61 - 39 - 3.0/8232=10, 4.2/8216=9...(8) QG2 VAL 78 + H LEU 6 OK 17 99 - 17 - 178=3, 10907/4.1=3...(5) QD2 LEU 27 + H LEU 6 OK 11 100 - 11 - 182/4.1=2, 164/3.6=2...(5) QG1 VAL 58 + H LEU 6 OK 11 98 - 11 - 10714/9333=2, 2.1/6067=2 HG3 ARG 81 - H LEU 6 poor 10 84 - 12 - 3612/4.1=3, 2.9/10371=2...(5) QD2 LEU 14 - H LEU 6 poor 9 65 - 13 - 2.1/6067=4, 3.1/6066=2...(4) QD1 ILE 8 - H LEU 6 lone 5 70 - 8 - 2.1/8233=1 HG13 ILE 93 - H LEU 6 lone 5 70 - 7 - 10018/4.1=2, 2.1/6068=1 QG1 VAL 78 - H LEU 6 lone 5 61 - 8 - 2.1/178=3 QD1 LEU 64 - H LEU 6 lone 2 77 - 2 - Peak 6062 from nnoeabs.peaks (0.95, 9.31, 126.92 ppm; 3.75 A): 2 out of 4 assignments used, quality = 0.95: * QG2 VAL 5 + H LEU 6 OK 93 100 - 93 - 4.1=74, 3.2/6059=34...(11) HG LEU 55 + H LEU 6 OK 34 65 - 52 - 4.7/8199=13...(8) HB2 ARG 81 - H LEU 6 OK 16 81 - 20 - 1.8/10371=4, 165/3.6=4...(7) QG2 VAL 83 - H LEU 6 OK 11 70 - 16 - 4.0/11107=4, 6055/4.7=2...(5) Peak 6063 from nnoeabs.peaks (5.47, 9.31, 126.92 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 6 + H LEU 6 OK 100 100 - 100 - 2.9=100 Peak 6064 from nnoeabs.peaks (1.18, 9.31, 126.92 ppm; 3.87 A): 2 out of 3 assignments used, quality = 0.99: * HB2 LEU 6 + H LEU 6 OK 98 100 - 98 - 4.0=91, 1.8/6065=19...(18) QG2 THR 34 + H LEU 6 OK 47 99 - 48 - 8768=14, 187/2.9=6...(13) HB2 LEU 57 - H LEU 6 OK 38 73 - 51 - 3.9/9333=16, 187/2.9=7...(15) Peak 6065 from nnoeabs.peaks (1.65, 9.31, 126.92 ppm; 3.56 A): 1 out of 11 assignments used, quality = 0.92: * HB3 LEU 6 + H LEU 6 OK 92 100 - 92 - 4.0=71, 1.8/6064=17...(17) HB3 ARG 79 - H LEU 6 OK 22 98 - 23 - 188/2.9=3, 196/4.0=3...(11) HG2 LYS 68 - H LEU 6 OK 16 98 - 17 - 2.9/6060=3, 188/2.9=2...(8) HD3 LYS 68 - H LEU 6 OK 16 100 - 16 - 3.5/6060=3, 188/2.9=2...(8) HD2 LYS 68 - H LEU 6 OK 16 99 - 16 - 3.5/6060=3, 188/2.9=2...(8) HB ILE 76 - H LEU 6 OK 13 99 - 13 - 6074/4.6=3, 188/2.9=2...(5) HD3 LYS 39 - H LEU 6 OK 10 97 - 11 - 3.6/6060=2, 188/2.9=1...(5) HD2 LYS 39 - H LEU 6 lone 10 98 - 10 - 3.6/6060=2, 188/2.9=1...(4) HB2 LYS 40 - H LEU 6 lone 7 100 - 7 - HD3 LYS 73 - H LEU 6 lone 1 70 - 2 - HD2 LYS 73 - H LEU 6 lone 1 61 - 2 - Peak 6066 from nnoeabs.peaks (1.52, 9.31, 126.92 ppm; 3.63 A): 3 out of 10 assignments used, quality = 0.96: * HG LEU 6 + H LEU 6 OK 81 100 - 81 - 5.3=33, 2.1/6067=19...(16) HG12 ILE 56 + H LEU 6 OK 62 98 - 63 - 3.2/8232=14, 3.9/8216=14...(17) HB ILE 7 + H LEU 6 OK 49 100 - 49 - 4.0/6071=12, ~8256=12...(14) HG3 ARG 30 - H LEU 6 OK 40 99 - 40 - ~8699=8, ~8696=8...(10) HB2 LEU 14 - H LEU 6 OK 29 100 - 29 - 3.1/6067=4, 241/4.6=4...(13) HG2 ARG 79 - H LEU 6 OK 25 94 - 27 - 210/2.9=4, 209=4...(9) HG3 ARG 79 - H LEU 6 OK 23 92 - 26 - 1.8/209=3, 3.0/6065=3...(10) HB3 LEU 103 - H LEU 6 lone 9 100 - 9 - 205/4.0=1, 189/2.9=1...(4) HG LEU 2 - H LEU 6 lone 7 92 - 8 - 6079/4.6=2 HG3 LYS 24 - H LEU 6 lone 1 70 - 2 - Peak 6067 from nnoeabs.peaks (0.69, 9.31, 126.92 ppm; 3.22 A): 4 out of 5 assignments used, quality = 0.88: * QD2 LEU 6 + H LEU 6 OK 75 100 - 75 - 4.6=35, 218/2.9=24...(10) QD1 ILE 52 + H LEU 6 OK 24 96 - 25 - 2.1/10371=6, 190/2.9=4...(9) QD1 LEU 42 + H LEU 6 OK 23 100 - 23 - 190/2.9=4, 206/4.0=3...(8) QD1 LEU 14 + H LEU 6 OK 20 94 - 22 - 190/2.9=3, 6076/4.6=3...(10) QG2 VAL 58 - H LEU 6 lone 9 90 - 9 - 2.1/6061=2, 190/2.9=1...(4) Peak 6068 from nnoeabs.peaks (0.77, 9.31, 126.92 ppm; 3.43 A): 4 out of 9 assignments used, quality = 0.94: * QD1 LEU 6 + H LEU 6 OK 79 100 - 79 - 4.6=42, 2.1/6067=18...(9) QG1 VAL 54 + H LEU 6 OK 47 94 - 50 - 12127/3.6=13...(13) QG2 ILE 52 + H LEU 6 OK 27 96 - 28 - 3.2/10371=6, 3.1/6067=4...(11) QD2 LEU 42 + H LEU 6 OK 24 99 - 25 - 2.1/6067=5, 191/2.9=3...(9) QD1 LEU 27 - H LEU 6 OK 14 100 - 14 - 10484/4.4=4, 1225/4.1=3...(4) QD1 ILE 93 - H LEU 6 OK 10 100 - 10 - 11005/4.7=3, 4167/4.1=1 QG2 ILE 8 - H LEU 6 poor 8 73 - 11 - 6077/4.6=2, 3.1/8233=2 QD1 ILE 15 - H LEU 6 lone 7 90 - 8 - 6077/4.6=1, 191/2.9=1 HG13 ILE 15 - H LEU 6 lone 5 73 - 7 - 8470/8232=1 Peak 6069 from nnoeabs.peaks (8.46, 9.31, 126.92 ppm; 4.73 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 7 + H LEU 6 OK 100 100 - 100 - 4.6=100 H LEU 29 + H LEU 6 OK 58 97 - 59 - ~8681=16, 192/2.9=13...(12) H LYS 53 - H LEU 6 OK 43 94 - 46 - 9183/4.0=10, 224/4.6=7...(10) Peak 6070 from nnoeabs.peaks (8.46, 8.46, 119.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 7 + H ILE 7 OK 100 100 - 100 Peak 6071 from nnoeabs.peaks (9.31, 8.46, 119.78 ppm; 4.42 A): 1 out of 2 assignments used, quality = 0.98: * H LEU 6 + H ILE 7 OK 98 100 - 98 - 4.6=91, 2.9/6072=45...(16) H LYS 33 - H ILE 7 OK 40 90 - 44 - 4.4/8270=10, 185/3.6=10...(11) Peak 6072 from nnoeabs.peaks (5.47, 8.46, 119.78 ppm; 2.81 A): 1 out of 1 assignment used, quality = 0.74: * HA LEU 6 + H ILE 7 OK 74 100 - 74 - 3.6=49, 3.0/6073=9...(15) Peak 6073 from nnoeabs.peaks (1.18, 8.46, 119.78 ppm; 3.71 A): 2 out of 3 assignments used, quality = 0.96: * HB2 LEU 6 + H ILE 7 OK 92 100 - 92 - 4.3=65, 3.0/6072=36...(17) HB2 LEU 57 + H ILE 7 OK 46 73 - 63 - 3.9/8237=14, 8271/3.0=10...(16) QG2 THR 34 - H ILE 7 OK 21 99 - 22 - 8768/4.6=6, 187/3.6=5...(7) Peak 6074 from nnoeabs.peaks (1.65, 8.46, 119.78 ppm; 4.08 A): 1 out of 11 assignments used, quality = 0.98: * HB3 LEU 6 + H ILE 7 OK 98 100 - 98 - 4.3=86, 3.0/6072=41...(16) HB ILE 76 - H ILE 7 OK 39 99 - 39 - 2.1/6082=6, 3423/4.0=5...(12) HB3 ARG 79 - H ILE 7 OK 16 98 - 17 - 188/3.6=4, 196/4.3=4...(5) HG2 LYS 68 - H ILE 7 OK 11 98 - 11 - 2.9/8269=2, 188/3.6=2...(4) HD3 LYS 68 - H ILE 7 OK 11 100 - 11 - 188/3.6=2, 3.5/8269=2...(4) HD2 LYS 68 - H ILE 7 OK 11 99 - 11 - 188/3.6=2, 3.5/8269=2...(4) HD3 LYS 39 - H ILE 7 lone 9 97 - 9 - 188/3.6=1, 196/4.3=1...(4) HD2 LYS 39 - H ILE 7 lone 8 98 - 9 - 188/3.6=1, 196/4.3=1...(4) HB2 LYS 40 - H ILE 7 lone 6 100 - 6 - 188/3.6=1 HD3 LYS 73 - H ILE 7 lone 2 70 - 3 - HD2 LYS 73 - H ILE 7 lone 2 61 - 3 - Peak 6075 from nnoeabs.peaks (1.52, 8.46, 119.78 ppm; 3.31 A): 2 out of 10 assignments used, quality = 0.95: HB ILE 7 + H ILE 7 OK 85 100 - 85 - 4.0=59, 3.2/6083=21...(16) * HG LEU 6 + H ILE 7 OK 70 100 - 70 - 3.7/6072=24, 3.0/6073=13...(16) HB2 LEU 14 - H ILE 7 OK 42 100 - 42 - 241=7, 247/4.7=5...(16) HG12 ILE 56 - H ILE 7 OK 33 98 - 34 - 3.9/8251=10, 189/3.6=3...(15) HG LEU 2 - H ILE 7 OK 23 92 - 25 - 2.1/6082=3, 2.1/6080=3...(10) HG3 ARG 30 - H ILE 7 OK 22 99 - 22 - 4.9/8238=9, 189/3.6=2...(6) HG2 ARG 79 - H ILE 7 OK 14 94 - 15 - 210/3.6=3, 211/4.3=2...(6) HG3 ARG 79 - H ILE 7 OK 12 92 - 13 - 3.0/6074=1, 205/4.3=1...(6) HB3 LEU 103 - H ILE 7 lone 6 100 - 6 - HG3 LYS 24 - H ILE 7 lone 1 70 - 2 - Peak 6076 from nnoeabs.peaks (0.69, 8.46, 119.78 ppm; 3.41 A): 5 out of 5 assignments used, quality = 0.92: * QD2 LEU 6 + H ILE 7 OK 72 100 - 72 - 218/3.6=23, 224=14...(14) QD1 LEU 14 + H ILE 7 OK 34 94 - 37 - 8424/3.0=6, 12014/4.5=6...(12) QD1 ILE 52 + H ILE 7 OK 32 96 - 34 - 3.1/6077=4, 2381=4...(12) QD1 LEU 42 + H ILE 7 OK 23 100 - 23 - 190/3.6=4, 206/4.3=3...(6) QG2 VAL 58 + H ILE 7 OK 14 90 - 16 - 2666/4.7=4, 4.2/6084=4...(6) Peak 6077 from nnoeabs.peaks (0.77, 8.46, 119.78 ppm; 3.11 A): 7 out of 9 assignments used, quality = 0.89: * QD1 LEU 6 + H ILE 7 OK 61 100 - 61 - 4.0/6072=18, 2.1/6076=11...(13) QG2 ILE 52 + H ILE 7 OK 26 96 - 27 - 3.1/6076=4, 2357=4...(11) QG2 ILE 8 + H ILE 7 OK 24 73 - 33 - 4.0/6086=7, ~8299=5...(10) QG1 VAL 54 + H ILE 7 OK 24 94 - 26 - 10210/4.5=6, 10663/4.6=6...(7) QD2 LEU 42 + H ILE 7 OK 16 99 - 16 - 2.1/6076=4, 199/4.3=2...(5) QD1 ILE 15 + H ILE 7 OK 13 90 - 15 - 8469/4.7=6, 680/4.0=2 QD1 LEU 27 + H ILE 7 OK 10 100 - 10 - 4.7/6459=2, 10487/3.0=1 HG13 ILE 15 - H ILE 7 poor 10 73 - 13 - 8470/4.7=5, 10118/4.5=3...(4) QD1 ILE 93 - H ILE 7 lone 7 100 - 7 - Peak 6078 from nnoeabs.peaks (5.13, 8.46, 119.78 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 7 + H ILE 7 OK 100 100 - 100 - 3.0=100 HA LEU 3 - H ILE 7 OK 45 100 - 45 - 8064=10, 250/4.0=5...(16) HA TYR 4 - H ILE 7 OK 26 87 - 30 - 3.6/8160=5, 250/4.0=3...(9) HA SER 85 - H ILE 7 OK 22 99 - 22 - 250/4.0=2, 258/4.5=2...(11) Peak 6079 from nnoeabs.peaks (1.52, 8.46, 119.78 ppm; 3.31 A): 2 out of 11 assignments used, quality = 0.95: * HB ILE 7 + H ILE 7 OK 85 100 - 85 - 4.0=59, 3.2/6083=21...(16) HG LEU 6 + H ILE 7 OK 70 100 - 70 - 3.7/6072=24, 3.0/6073=13...(15) HB2 LEU 14 - H ILE 7 OK 42 100 - 42 - 241=7, 247/4.7=5...(16) HG12 ILE 56 - H ILE 7 OK 31 94 - 34 - 3.9/8251=10, 189/3.6=3...(14) HG LEU 2 - H ILE 7 OK 25 97 - 26 - 74/4.5=3, 2.1/6082=3...(10) HG3 ARG 30 - H ILE 7 OK 21 96 - 22 - 4.9/8238=9, 189/3.6=2...(6) HG2 ARG 79 - H ILE 7 OK 13 87 - 15 - 210/3.6=3, 211/4.3=2...(6) HG3 ARG 79 - H ILE 7 OK 11 84 - 13 - 3.0/6074=1, 205/4.3=1...(6) HB3 LEU 103 - H ILE 7 lone 6 100 - 6 - HG3 LYS 33 - H ILE 7 lone 5 65 - 7 - 4.9/6071=3, 1457/4.6=1 HG3 LYS 24 - H ILE 7 lone 2 81 - 2 - Peak 6080 from nnoeabs.peaks (0.80, 8.46, 119.78 ppm; 3.00 A): 5 out of 8 assignments used, quality = 0.94: * QG2 ILE 7 + H ILE 7 OK 75 100 - 75 - 4.0=42, 3.0/6083=18...(13) QD2 LEU 57 + H ILE 7 OK 41 100 - 41 - 4.6/8237=7, ~8271=6...(15) QG2 ILE 8 + H ILE 7 OK 30 87 - 34 - 4.0/6086=7, ~8299=4...(13) QD1 ILE 76 + H ILE 7 OK 23 100 - 23 - 2.1/6081=3, 3452/4.5=3...(10) QD2 LEU 2 + H ILE 7 OK 18 92 - 19 - 2.1/6082=3, 80/4.0=2...(9) QG2 ILE 15 - H ILE 7 poor 9 90 - 10 - 276/4.7=2, 260/4.5=2...(5) QD2 LEU 70 - H ILE 7 lone 3 94 - 3 - QD1 LEU 70 - H ILE 7 lone 2 70 - 2 - Peak 6081 from nnoeabs.peaks (1.42, 8.46, 119.78 ppm; 3.90 A): 2 out of 7 assignments used, quality = 0.96: * HG12 ILE 7 + H ILE 7 OK 93 100 - 93 - 4.5=67, 2.1/6083=36...(10) HG LEU 29 + H ILE 7 OK 49 90 - 55 - 2.1/1295=12, 2.1/1303=9...(13) HG13 ILE 76 - H ILE 7 OK 38 87 - 44 - 237/3.0=5, 2.1/6080=5...(13) QB ALA 22 - H ILE 7 OK 29 90 - 32 - 8586=7, 2.9/6084=3...(14) HG2 LYS 13 - H ILE 7 OK 13 98 - 13 - 10394/4.0=3, 237/3.0=2...(6) HG3 LYS 39 - H ILE 7 poor 9 70 - 13 - 253/4.0=2, 237/3.0=1...(6) QB ALA 71 - H ILE 7 lone 5 81 - 6 - Peak 6082 from nnoeabs.peaks (0.89, 8.46, 119.78 ppm; 3.95 A): 2 out of 5 assignments used, quality = 0.97: * HG13 ILE 7 + H ILE 7 OK 93 100 - 93 - 4.5=69, 2.1/6083=37...(8) HG13 ILE 8 + H ILE 7 OK 54 98 - 55 - 4.6/6086=11, 8305/3.0=9...(13) QG2 ILE 76 - H ILE 7 OK 39 92 - 43 - 9629/4.7=8, 2.1/6074=6...(12) QD1 LEU 2 - H ILE 7 OK 31 90 - 35 - 238/3.0=5, 254/4.0=5...(10) QG1 VAL 32 - H ILE 7 OK 25 81 - 31 - 2.1/8270=12, 4.1/6071=6...(10) Peak 6083 from nnoeabs.peaks (0.62, 8.46, 119.78 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.90: * QD1 ILE 7 + H ILE 7 OK 90 100 - 90 - 4.7=53, 239/3.0=29...(11) Peak 6084 from nnoeabs.peaks (8.80, 8.46, 119.78 ppm; 4.54 A): 2 out of 3 assignments used, quality = 0.99: * H ILE 8 + H ILE 7 OK 99 100 - 99 - 4.7=93, 6087/3.0=31...(16) H SER 59 + H ILE 7 OK 46 100 - 46 - 240/3.0=10, 256/4.0=10...(8) H ALA 22 - H ILE 7 OK 20 65 - 31 - 2.9/8586=9, 240/3.0=4...(10) Peak 6085 from nnoeabs.peaks (8.80, 8.80, 128.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 8 + H ILE 8 OK 100 100 - 100 Peak 6086 from nnoeabs.peaks (8.46, 8.80, 128.92 ppm; 4.34 A): 1 out of 3 assignments used, quality = 0.96: * H ILE 7 + H ILE 8 OK 96 100 - 96 - 4.7=81, 3.0/6087=30...(16) H LEU 29 - H ILE 8 OK 32 97 - 33 - 233/3.6=7, 249/4.4=7...(12) H LYS 53 - H ILE 8 OK 29 94 - 31 - 9178/3.6=7, 249/4.4=5...(12) Peak 6087 from nnoeabs.peaks (5.13, 8.80, 128.92 ppm; 2.82 A): 3 out of 4 assignments used, quality = 0.81: * HA ILE 7 + H ILE 8 OK 75 100 - 75 - 3.6=49, 4.2/6092=10...(17) HA LEU 3 + H ILE 8 OK 15 100 - 15 - 250/4.4=2, 8064/4.7=2...(8) HA TYR 4 + H ILE 8 OK 11 87 - 13 - 3.6/8292=4, 250/4.4=1...(4) HA SER 85 - H ILE 8 lone 9 99 - 9 - 250/4.4=1, 6078/4.7=1 Peak 6088 from nnoeabs.peaks (1.52, 8.80, 128.92 ppm; 4.12 A): 2 out of 11 assignments used, quality = 0.99: * HB ILE 7 + H ILE 8 OK 97 100 - 97 - 4.5=79, 3.2/6092=30...(17) HB2 LEU 14 + H ILE 8 OK 64 100 - 64 - 1.8/6094=10, 248=9...(22) HG LEU 6 - H ILE 8 OK 35 100 - 35 - 3.0/8288=9, 216/4.7=8...(9) HG12 ILE 56 - H ILE 8 OK 33 94 - 35 - 2.1/321=6, 1.8/6098=6...(12) HG LEU 2 - H ILE 8 OK 28 97 - 29 - 2.1/6097=5, 251/4.4=4...(10) HG3 ARG 30 - H ILE 8 OK 16 96 - 17 - 8315/4.6=3, 2.9/6096=3...(7) HG2 ARG 79 - H ILE 8 lone 6 87 - 7 - 216/4.7=1 HG3 ARG 79 - H ILE 8 lone 5 84 - 6 - HB3 LEU 103 - H ILE 8 lone 4 100 - 4 - HG3 LYS 24 - H ILE 8 lone 2 81 - 3 - HG3 LYS 33 - H ILE 8 lone 2 65 - 3 - Peak 6089 from nnoeabs.peaks (0.80, 8.80, 128.92 ppm; 3.22 A): 3 out of 8 assignments used, quality = 0.96: * QG2 ILE 7 + H ILE 8 OK 81 100 - 81 - 4.4=40, 3.0/6092=20...(19) QG2 ILE 8 + H ILE 8 OK 67 87 - 77 - 4.0=52, 2.1/289=15...(11) QD2 LEU 57 + H ILE 8 OK 43 100 - 43 - 3.1/8289=10, 3.1/8288=10...(14) QD1 ILE 76 - H ILE 8 OK 30 100 - 30 - 2.1/6090=5, 3.2/9629=4...(13) QD2 LEU 2 - H ILE 8 OK 17 92 - 19 - 2.1/6097=3, 80/4.5=2...(7) QG2 ILE 15 - H ILE 8 lone 8 90 - 9 - 276/6092=1, 236/3.6=1, 244/4.5=1 QD2 LEU 70 - H ILE 8 lone 8 94 - 8 - 3.1/6096=2 QD1 LEU 70 - H ILE 8 lone 4 70 - 6 - 3.1/6096=2 Peak 6090 from nnoeabs.peaks (1.42, 8.80, 128.92 ppm; 3.80 A): 5 out of 7 assignments used, quality = 0.93: * HG12 ILE 7 + H ILE 8 OK 83 100 - 83 - 2.1/6092=33, 264=20...(18) HG13 ILE 76 + H ILE 8 OK 31 87 - 36 - 3.2/9629=7, 2.1/6089=5...(13) HG LEU 29 + H ILE 8 OK 19 90 - 21 - 237/3.6=4, 6081/4.7=4...(7) QB ALA 22 + H ILE 8 OK 18 90 - 20 - 8586/4.7=4, 8587/4.6=3...(7) HG2 LYS 13 + H ILE 8 OK 12 98 - 12 - 10394/4.4=2, 237/3.6=2...(4) HG3 LYS 39 - H ILE 8 lone 6 70 - 9 - 253/4.4=1, 1.8/6096=1, 237/3.6=1 QB ALA 71 - H ILE 8 lone 4 81 - 5 - Peak 6091 from nnoeabs.peaks (0.89, 8.80, 128.92 ppm; 3.56 A): 3 out of 5 assignments used, quality = 0.97: * HG13 ILE 7 + H ILE 8 OK 79 100 - 79 - 2.1/6092=29, 3.9/6087=17...(17) HG13 ILE 8 + H ILE 8 OK 77 98 - 78 - 4.6=46, 1.8/305=16...(12) QG2 ILE 76 + H ILE 8 OK 41 92 - 45 - 9629=5, 294/3.8=4...(15) QD1 LEU 2 - H ILE 8 OK 25 90 - 28 - 254/4.4=3, 238/3.6=3...(13) QG1 VAL 32 - H ILE 8 OK 19 81 - 23 - ~12055=9, ~10163=6...(6) Peak 6092 from nnoeabs.peaks (0.62, 8.80, 128.92 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.85: * QD1 ILE 7 + H ILE 8 OK 85 100 - 85 - 255/4.4=26, 239/3.6=26...(17) Peak 6093 from nnoeabs.peaks (4.61, 8.80, 128.92 ppm; 3.75 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 8 + H ILE 8 OK 100 100 - 100 - 3.0=100 HA ASP 11 - H ILE 8 OK 24 77 - 32 - 290/3.8=6, 298/4.0=5...(11) HB THR 34 - H ILE 8 lone 6 73 - 8 - 2.1/8288=2, 290/3.8=1 HA HIS 105 - H ILE 8 lone 2 65 - 3 - Peak 6094 from nnoeabs.peaks (1.90, 8.80, 128.92 ppm; 3.36 A): 2 out of 8 assignments used, quality = 0.93: * HB ILE 8 + H ILE 8 OK 89 100 - 89 - 3.8=72, 2.1/297=15...(13) HB3 LEU 14 + H ILE 8 OK 42 97 - 44 - 3.0/6096=6, 1.8/6088=5...(19) HB2 ARG 19 - H ILE 8 OK 19 100 - 19 - 8514/4.0=3, 283/3.0=2...(8) HB VAL 54 - H ILE 8 OK 14 92 - 15 - 9233/4.6=2, 12126/5.0=2...(7) HG LEU 42 - H ILE 8 OK 11 100 - 11 - 3.0/8289=2, 283/3.0=1 HB2 LYS 20 - H ILE 8 OK 11 98 - 11 - 283/3.0=2, 299/4.0=2...(5) HB2 GLU 43 - H ILE 8 lone 6 90 - 7 - 283/3.0=1 HB3 LYS 13 - H ILE 8 lone 4 61 - 6 - 3.0/6090=2, 283/3.0=1 Peak 6095 from nnoeabs.peaks (0.79, 8.80, 128.92 ppm; 3.26 A): 3 out of 8 assignments used, quality = 0.96: * QG2 ILE 8 + H ILE 8 OK 78 100 - 78 - 4.0=54, 2.1/289=16...(12) QG2 ILE 7 + H ILE 8 OK 71 87 - 81 - 4.4=42, 3.0/6092=20...(18) QD2 LEU 57 + H ILE 8 OK 40 94 - 42 - 3.1/8289=10, 3.1/8288=10...(12) QD1 ILE 76 - H ILE 8 OK 23 81 - 29 - 2.1/6090=5, 3.2/9629=4...(13) QG2 ILE 52 - H ILE 8 OK 21 96 - 22 - 292/3.8=3, 284/3.0=3...(9) QD1 LEU 6 - H ILE 8 OK 13 73 - 17 - 3.1/8288=5, 8226/3.6=3...(4) QD1 LEU 27 - H ILE 8 lone 4 65 - 6 - 4.7/6099=1 QD1 ILE 93 - H ILE 8 lone 3 70 - 4 - Peak 6096 from nnoeabs.peaks (1.36, 8.80, 128.92 ppm; 3.59 A): 5 out of 9 assignments used, quality = 0.92: * HG12 ILE 8 + H ILE 8 OK 79 100 - 79 - 4.6=47, 2.9/289=16...(14) HG LEU 14 + H ILE 8 OK 41 84 - 49 - 2.1/6098=6, 3.0/6094=6...(18) HB3 ARG 30 + H ILE 8 OK 16 96 - 17 - 6105/4.6=3, 8719/4.4=2...(7) HB2 LEU 70 + H ILE 8 OK 14 98 - 14 - 293/3.8=2, 285/3.0=2...(6) HG3 LYS 40 + H ILE 8 OK 10 99 - 10 - 1827/4.6=3, 285/3.0=2...(4) HG2 LYS 39 - H ILE 8 lone 5 65 - 8 - 1.8/6090=1 HB3 LEU 27 - H ILE 8 lone 5 61 - 7 - 4.4/6099=2 HG3 LYS 68 - H ILE 8 lone 5 81 - 6 - HG3 LYS 94 - H ILE 8 lone 3 65 - 4 - Peak 6097 from nnoeabs.peaks (0.89, 8.80, 128.92 ppm; 3.56 A): 3 out of 4 assignments used, quality = 0.97: * HG13 ILE 8 + H ILE 8 OK 79 100 - 79 - 4.6=46, 1.8/305=16...(12) HG13 ILE 7 + H ILE 8 OK 78 98 - 79 - 2.1/6092=29, 3.9/6087=17...(17) QG2 ILE 76 + H ILE 8 OK 45 99 - 46 - 9629=6, 294/3.8=5...(15) QD1 LEU 2 - H ILE 8 OK 28 99 - 29 - 88/4.5=4, 254/4.4=3...(13) Peak 6098 from nnoeabs.peaks (0.71, 8.80, 128.92 ppm; 3.49 A): 4 out of 8 assignments used, quality = 0.97: * QD1 ILE 8 + H ILE 8 OK 72 100 - 72 - 5.0=33, 2.1/305=15...(13) QG1 VAL 58 + H ILE 8 OK 59 90 - 67 - 3.2/8298=24, 2672=15...(13) QD2 LEU 14 + H ILE 8 OK 53 100 - 53 - 2.1/6096=7, 8427/3.6=6...(20) HG13 ILE 56 + H ILE 8 OK 39 99 - 40 - 2.1/321=4, 10677/4.6=4...(15) QD1 ILE 56 - H ILE 8 OK 36 100 - 36 - 322/3.0=5, 321=5...(14) QD1 ILE 52 - H ILE 8 OK 14 77 - 18 - 10640/4.6=2, 3.1/6095=2...(7) QG1 VAL 5 - H ILE 8 poor 9 70 - 13 - 4.0/8292=6 QG2 VAL 78 - H ILE 8 lone 8 87 - 9 - Peak 6099 from nnoeabs.peaks (7.81, 8.80, 128.92 ppm; 4.56 A): 1 out of 6 assignments used, quality = 0.99: * H SER 9 + H ILE 8 OK 99 100 - 99 - 4.6=97, 6102/3.0=37...(15) H TYR 41 - H ILE 8 OK 27 87 - 31 - 8869/4.0=5, 288/3.0=5...(10) H LYS 66 - H ILE 8 OK 25 94 - 26 - 288/3.0=5, 296/3.8=4...(6) H GLU 28 - H ILE 8 OK 20 84 - 23 - 4.5/6086=5, 6459/4.7=3...(9) H LYS 20 - H ILE 8 OK 14 61 - 23 - 4.1/6094=3, 296/3.8=3...(11) H GLU 99 - H ILE 8 lone 3 70 - 4 - Peak 6100 from nnoeabs.peaks (7.81, 7.81, 116.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 9 + H SER 9 OK 100 100 - 100 Peak 6101 from nnoeabs.peaks (8.80, 7.81, 116.36 ppm; 4.08 A): 2 out of 3 assignments used, quality = 0.96: * H ILE 8 + H SER 9 OK 93 100 - 93 - 4.6=70, 3.0/6102=34...(15) H SER 59 + H SER 9 OK 40 100 - 40 - 289/4.4=10, 297/4.1=8...(10) H ALA 22 - H SER 9 poor 9 65 - 13 - 2.9/8587=5, 281/3.6=1 Peak 6102 from nnoeabs.peaks (4.61, 7.81, 116.36 ppm; 2.63 A): 2 out of 4 assignments used, quality = 0.68: * HA ILE 8 + H SER 9 OK 63 100 - 63 - 3.6=40, 3.0/6101=8...(12) HA ASP 11 + H SER 9 OK 14 77 - 19 - 3.0/6109=4, 8344/4.0=2...(8) HB THR 34 - H SER 9 lone 2 73 - 2 - HA HIS 105 - H SER 9 lone 1 65 - 1 - Peak 6103 from nnoeabs.peaks (1.90, 7.81, 116.36 ppm; 4.17 A): 1 out of 8 assignments used, quality = 0.96: * HB ILE 8 + H SER 9 OK 96 100 - 96 - 4.4=83, 3.0/6102=34...(16) HB3 LEU 14 - H SER 9 OK 40 97 - 42 - 3.1/6107=6, 8421/3.6=6...(10) HB VAL 54 - H SER 9 OK 23 92 - 25 - 2492/4.6=3, 4.5/6111=3...(7) HB2 ARG 19 - H SER 9 OK 21 100 - 21 - 8514/4.1=4, 283/3.6=3...(6) HB2 LYS 20 - H SER 9 OK 14 98 - 15 - 299/4.1=3, 283/3.6=2...(5) HG LEU 42 - H SER 9 OK 14 100 - 14 - 4.9/6666=3, 283/3.6=2...(5) HB2 GLU 43 - H SER 9 lone 9 90 - 10 - 4.0/6683=2, 283/3.6=1, 299/4.1=1 HB3 LYS 13 - H SER 9 lone 3 61 - 5 - 283/3.6=1 Peak 6104 from nnoeabs.peaks (0.79, 7.81, 116.36 ppm; 3.00 A): 4 out of 8 assignments used, quality = 0.88: * QG2 ILE 8 + H SER 9 OK 71 100 - 71 - 4.1=39, 3.2/6102=19...(10) QG2 ILE 7 + H SER 9 OK 37 87 - 43 - 4.4/6101=7, 8267/4.0=6...(13) QD1 ILE 76 + H SER 9 OK 22 81 - 28 - 3.2/6106=5, 4.2/6108=3...(12) QG2 ILE 52 + H SER 9 OK 13 96 - 14 - 284/3.6=2, 292/4.4=2...(5) QD2 LEU 57 - H SER 9 lone 9 94 - 10 - 284/3.6=2, 6095/4.6=2, 292/4.4=1 QD1 LEU 6 - H SER 9 lone 5 73 - 6 - QD1 LEU 27 - H SER 9 lone 4 65 - 6 - QD1 ILE 93 - H SER 9 lone 3 70 - 4 - Peak 6105 from nnoeabs.peaks (1.36, 7.81, 116.36 ppm; 4.45 A): 4 out of 9 assignments used, quality = 0.97: * HG12 ILE 8 + H SER 9 OK 80 100 - 80 - 4.1/6102=29, 3.1/6104=18...(17) HB3 ARG 30 + H SER 9 OK 52 96 - 54 - 3.0/8338=28...(11) HG3 LYS 40 + H SER 9 OK 41 99 - 41 - 1.8/8314=8, 1827=5...(15) HG LEU 14 + H SER 9 OK 40 84 - 48 - 2.1/6107=9, 285/3.6=7...(12) HB2 LEU 70 - H SER 9 OK 21 98 - 21 - 1.8/8316=5, 293/4.4=2...(6) HB3 LEU 27 - H SER 9 poor 8 61 - 13 - 1.8/1195=1, 3.1/1227=1...(4) HG3 LYS 68 - H SER 9 lone 7 81 - 8 - 4.6/7101=1 HG2 LYS 39 - H SER 9 lone 6 65 - 9 - 5.2/6613=1 HG3 LYS 94 - H SER 9 lone 6 65 - 9 - 1314/8338=2 Peak 6106 from nnoeabs.peaks (0.89, 7.81, 116.36 ppm; 3.77 A): 3 out of 4 assignments used, quality = 0.94: * HG13 ILE 8 + H SER 9 OK 69 100 - 69 - 4.1/6102=22, 3.1/6104=15...(14) HG13 ILE 7 + H SER 9 OK 59 98 - 60 - 272/4.6=8, 3.2/6104=8...(15) QG2 ILE 76 + H SER 9 OK 55 99 - 55 - 9629/4.6=9, 3426/2.9=8...(17) QD1 LEU 2 - H SER 9 OK 18 99 - 18 - 6097/4.6=2, 294/4.4=2...(7) Peak 6107 from nnoeabs.peaks (0.71, 7.81, 116.36 ppm; 3.96 A): 4 out of 8 assignments used, quality = 0.94: * QD1 ILE 8 + H SER 9 OK 73 100 - 73 - 4.1/6102=24, 3.0/6104=17...(13) QD2 LEU 14 + H SER 9 OK 51 100 - 51 - 8414/4.0=9, 8330/4.0=7...(14) QD1 ILE 56 + H SER 9 OK 32 100 - 32 - 322/3.6=6, 324/4.1=4...(9) QG1 VAL 58 + H SER 9 OK 30 90 - 34 - 10224/4.4=8, 2672/4.6=7...(7) HG13 ILE 56 - H SER 9 OK 29 99 - 30 - 10678/4.4=5, 303/4.1=4...(9) QD1 ILE 52 - H SER 9 OK 14 77 - 18 - 3.1/6104=3, 2377/4.1=2...(8) QG2 VAL 78 - H SER 9 lone 8 87 - 9 - 4.3/8346=1 QG1 VAL 5 - H SER 9 lone 6 70 - 9 - 4.0/8163=4 Peak 6108 from nnoeabs.peaks (4.43, 7.81, 116.36 ppm; 3.51 A): 1 out of 7 assignments used, quality = 1.00: * HA SER 9 + H SER 9 OK 100 100 - 100 - 2.9=100 HA ILE 76 - H SER 9 OK 40 100 - 41 - 329=7, 3.2/6106=6...(15) HA VAL 32 - H SER 9 OK 11 65 - 16 - 3.0/10516=7, 3.0/10153=5 HA GLU 48 - H SER 9 OK 10 100 - 10 - 6114/4.6=2, 340/4.0=2...(4) HA MET 21 - H SER 9 lone 5 65 - 7 - 4.4/8587=3, 3.6/6101=1 HB THR 84 - H SER 9 lone 4 90 - 4 - HA ALA 25 - H SER 9 lone 1 73 - 2 - Peak 6109 from nnoeabs.peaks (2.99, 7.81, 116.36 ppm; 3.60 A): 2 out of 6 assignments used, quality = 0.91: * HB2 SER 9 + H SER 9 OK 85 100 - 85 - 4.0=70, 1.8/6110=19...(7) HB3 ASP 11 + H SER 9 OK 40 100 - 40 - 8375/5.0=9, 3.0/6102=6...(8) HB2 PHE 45 - H SER 9 lone 6 96 - 6 - HE2 LYS 12 - H SER 9 lone 3 73 - 4 - HE3 LYS 47 - H SER 9 lone 2 70 - 3 - HE2 LYS 47 - H SER 9 lone 2 70 - 3 - Peak 6110 from nnoeabs.peaks (3.92, 7.81, 116.36 ppm; 3.92 A): 1 out of 4 assignments used, quality = 0.96: * HB3 SER 9 + H SER 9 OK 96 100 - 96 - 4.0=91, 1.8/6109=25...(10) HA TYR 41 - H SER 9 OK 41 100 - 41 - 1872=9, 3.0/1883=5...(12) HA GLU 63 - H SER 9 OK 16 87 - 19 - 2769=4, 10745/4.1=2...(5) HA GLU 44 - H SER 9 lone 6 90 - 7 - 6116/4.6=1, 337/4.0=1, 332/2.9=1 Peak 6111 from nnoeabs.peaks (8.64, 7.81, 116.36 ppm; 4.60 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 10 + H SER 9 OK 100 100 - 100 - 4.6=99, 333/2.9=30...(7) H LEU 55 - H SER 9 OK 21 99 - 21 - 338/4.0=4, 343/4.0=3...(7) H ALA 18 - H SER 9 OK 13 81 - 16 - 338/4.0=4, 343/4.0=3...(4) Peak 6112 from nnoeabs.peaks (8.64, 8.64, 122.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 10 + H ASN 10 OK 100 100 - 100 Peak 6113 from nnoeabs.peaks (7.81, 8.64, 122.61 ppm; 4.64 A): 1 out of 6 assignments used, quality = 1.00: * H SER 9 + H ASN 10 OK 100 100 - 100 - 4.6=100 H TYR 41 - H ASN 10 OK 17 87 - 20 - 3.0/6116=6, 339/4.6=5...(5) H LYS 66 - H ASN 10 OK 10 94 - 11 - 339/4.6=3, 334/4.6=2...(4) H LYS 20 - H ASN 10 poor 6 61 - 10 - 4.6/6281=1, 334/4.6=1, 339/4.6=1 H GLU 28 - H ASN 10 lone 6 84 - 7 - 339/4.6=1, 334/4.6=1 H GLU 99 - H ASN 10 lone 2 70 - 3 - Peak 6114 from nnoeabs.peaks (4.43, 8.64, 122.61 ppm; 3.14 A): 3 out of 7 assignments used, quality = 0.88: * HA SER 9 + H ASN 10 OK 83 100 - 83 - 3.6=68, 4.1/8350=13...(8) HA ILE 76 + H ASN 10 OK 19 100 - 19 - 333=6, 335/4.6=3...(8) HA GLU 48 + H ASN 10 OK 16 100 - 16 - 8354/4.0=4, 8352/4.0=3...(7) HB THR 84 - H ASN 10 lone 3 90 - 3 - HA MET 21 - H ASN 10 lone 2 65 - 3 - HA VAL 32 - H ASN 10 lone 2 65 - 2 - HA ALA 25 - H ASN 10 lone 1 73 - 1 - Peak 6115 from nnoeabs.peaks (2.99, 8.64, 122.61 ppm; 3.99 A): 2 out of 6 assignments used, quality = 0.94: * HB2 SER 9 + H ASN 10 OK 90 100 - 90 - 4.6=65, 2.8/8350=29...(8) HB3 ASP 11 + H ASN 10 OK 39 100 - 39 - 375/4.6=18, 8375/8350=7...(5) HB2 PHE 45 - H ASN 10 lone 7 96 - 7 - 9237/2498=1 HE2 LYS 12 - H ASN 10 lone 3 73 - 5 - 6144/4.6=2 HE3 LYS 47 - H ASN 10 lone 2 70 - 3 - HE2 LYS 47 - H ASN 10 lone 2 70 - 3 - Peak 6116 from nnoeabs.peaks (3.92, 8.64, 122.61 ppm; 4.39 A): 1 out of 4 assignments used, quality = 0.97: * HB3 SER 9 + H ASN 10 OK 97 100 - 97 - 4.6=88, 2.8/8350=34...(9) HA TYR 41 - H ASN 10 OK 24 100 - 24 - 6110/4.6=6, 332/3.6=5...(7) HA GLU 44 - H ASN 10 OK 11 90 - 12 - 3.0/6121=4, 10388/4.6=2...(5) HA GLU 63 - H ASN 10 lone 7 87 - 9 - 2769/4.6=3, 337/4.6=2...(4) Peak 6117 from nnoeabs.peaks (4.94, 8.64, 122.61 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 10 + H ASN 10 OK 100 100 - 100 - 3.0=100 Peak 6118 from nnoeabs.peaks (2.93, 8.64, 122.61 ppm; 3.74 A): 1 out of 10 assignments used, quality = 0.92: * HB2 ASN 10 + H ASN 10 OK 92 100 - 92 - 4.0=82, 1.8/6119=34...(6) HE3 LYS 90 - H ASN 10 lone 4 96 - 4 - 346/3.0=1 HG2 MET 21 - H ASN 10 lone 4 87 - 5 - 346/3.0=1 HB2 ASN 51 - H ASN 10 lone 4 65 - 6 - 346/3.0=1, 6126/5.6=1...(4) HE2 LYS 94 - H ASN 10 lone 4 96 - 4 - 346/3.0=1 HE3 LYS 20 - H ASN 10 lone 2 77 - 3 - HE2 LYS 20 - H ASN 10 lone 2 73 - 3 - HE3 LYS 94 - H ASN 10 lone 2 70 - 3 - HE2 LYS 68 - H ASN 10 lone 1 65 - 1 - HE3 LYS 73 - H ASN 10 lone 1 65 - 1 - Peak 6119 from nnoeabs.peaks (2.75, 8.64, 122.61 ppm; 3.61 A): 1 out of 5 assignments used, quality = 0.88: * HB3 ASN 10 + H ASN 10 OK 88 100 - 88 - 4.0=74, 1.8/6118=27...(6) HE2 LYS 40 - H ASN 10 lone 4 77 - 5 - 347/3.0=1 HE3 LYS 40 - H ASN 10 lone 3 73 - 4 - HE2 LYS 82 - H ASN 10 lone 2 77 - 3 - HB2 ASN 26 - H ASN 10 lone 1 70 - 2 - Peak 6121 from nnoeabs.peaks (7.61, 8.64, 122.61 ppm; 5.21 A): 1 out of 4 assignments used, quality = 0.94: * HD22 ASN 10 + H ASN 10 OK 94 100 - 95 - 5.6=80, 3.5/6119=38...(5) H GLU 48 - H ASN 10 OK 33 92 - 36 - 356/4.0=9, 363/4.0=7...(9) H GLU 44 - H ASN 10 OK 22 99 - 21 - 6141/4.6=4, 3.0/6116=3...(7) HE22 GLN 50 - H ASN 10 lone 4 65 - 5 - 6141/4.6=1 Peak 6123 from nnoeabs.peaks (6.98, 6.98, 113.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 10 + HD21 ASN 10 OK 100 100 - 100 Peak 6124 from nnoeabs.peaks (8.64, 6.98, 113.40 ppm; 5.55 A): 2 out of 3 assignments used, quality = 1.00: * H ASN 10 + HD21 ASN 10 OK 99 100 - 99 - 5.6=97, 6119/3.5=41...(4) H LEU 55 + HD21 ASN 10 OK 68 99 - 69 - 9291=41, 6130/1.7=14...(8) H ALA 18 - HD21 ASN 10 OK 12 81 - 15 - 6130/1.7=3, 344/4.4=3...(5) Peak 6125 from nnoeabs.peaks (4.94, 6.98, 113.40 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 10 + HD21 ASN 10 OK 100 100 - 100 - 4.4=100 Peak 6126 from nnoeabs.peaks (2.93, 6.98, 113.40 ppm; 4.20 A): 1 out of 10 assignments used, quality = 1.00: * HB2 ASN 10 + HD21 ASN 10 OK 100 100 - 100 - 3.5=100 HB2 ASN 51 - HD21 ASN 10 OK 14 65 - 21 - 1.8/2331=5, 6132/1.7=3...(9) HE3 LYS 90 - HD21 ASN 10 lone 6 96 - 6 - 6132/1.7=2 HE2 LYS 94 - HD21 ASN 10 lone 6 96 - 6 - 6132/1.7=2 HG2 MET 21 - HD21 ASN 10 lone 5 87 - 6 - 6132/1.7=1 HE3 LYS 94 - HD21 ASN 10 lone 4 70 - 5 - ~6132=1, 6132/1.7=1 HE3 LYS 20 - HD21 ASN 10 lone 3 77 - 4 - HE2 LYS 20 - HD21 ASN 10 lone 3 73 - 4 - HE3 LYS 73 - HD21 ASN 10 lone 1 65 - 1 - HE2 LYS 68 - HD21 ASN 10 lone 1 65 - 1 - Peak 6127 from nnoeabs.peaks (2.75, 6.98, 113.40 ppm; 3.70 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ASN 10 + HD21 ASN 10 OK 100 100 - 100 - 3.5=100 HE2 LYS 40 - HD21 ASN 10 lone 4 77 - 5 - 6133/1.7=1 HE3 LYS 40 - HD21 ASN 10 lone 4 73 - 5 - 6133/1.7=1 HE2 LYS 82 - HD21 ASN 10 lone 3 77 - 3 - HB2 ASN 26 - HD21 ASN 10 lone 1 70 - 2 - Peak 6128 from nnoeabs.peaks (7.61, 6.98, 113.40 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HD22 ASN 10 + HD21 ASN 10 OK 100 100 - 100 - 1.7=100 H GLU 48 - HD21 ASN 10 lone 6 92 - 7 - 356/3.5=2, 363/3.5=2...(4) H GLU 44 - HD21 ASN 10 lone 2 99 - 2 - HE22 GLN 50 - HD21 ASN 10 lone 0 65 - 1 - Peak 6129 from nnoeabs.peaks (7.61, 7.61, 113.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 10 + HD22 ASN 10 OK 100 100 - 100 Peak 6130 from nnoeabs.peaks (8.64, 7.61, 113.40 ppm; 5.73 A): 2 out of 3 assignments used, quality = 1.00: * H ASN 10 + HD22 ASN 10 OK 100 100 - 100 - 5.6=100 H LEU 55 + HD22 ASN 10 OK 62 99 - 63 - 9291/1.7=41, 351/3.5=12...(5) H ALA 18 - HD22 ASN 10 OK 13 81 - 16 - 6124/1.7=3, 344/4.4=3...(5) Peak 6131 from nnoeabs.peaks (4.94, 7.61, 113.40 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 10 + HD22 ASN 10 OK 100 100 - 100 - 4.4=100 Peak 6132 from nnoeabs.peaks (2.93, 7.61, 113.40 ppm; 3.92 A): 1 out of 10 assignments used, quality = 1.00: * HB2 ASN 10 + HD22 ASN 10 OK 100 100 - 100 - 3.5=100 HB2 ASN 51 - HD22 ASN 10 OK 11 65 - 17 - 6126/1.7=3, ~2331=3...(7) HE3 LYS 90 - HD22 ASN 10 lone 6 96 - 6 - 6126/1.7=2 HE2 LYS 94 - HD22 ASN 10 lone 5 96 - 5 - 6126/1.7=1 HG2 MET 21 - HD22 ASN 10 lone 5 87 - 5 - 6126/1.7=1 HE3 LYS 94 - HD22 ASN 10 lone 3 70 - 5 - ~6126=1 HE3 LYS 20 - HD22 ASN 10 lone 3 77 - 4 - HE2 LYS 20 - HD22 ASN 10 lone 3 73 - 4 - HE3 LYS 73 - HD22 ASN 10 lone 1 65 - 1 - HE2 LYS 68 - HD22 ASN 10 lone 1 65 - 1 - Peak 6133 from nnoeabs.peaks (2.75, 7.61, 113.40 ppm; 3.46 A): 1 out of 5 assignments used, quality = 0.97: * HB3 ASN 10 + HD22 ASN 10 OK 97 100 - 97 - 3.5=96, 6119/5.6=10, 4.6/6141=5 HE2 LYS 40 - HD22 ASN 10 lone 4 77 - 5 - 6127/1.7=1 HE3 LYS 40 - HD22 ASN 10 lone 3 73 - 4 - 6127/1.7=1 HE2 LYS 82 - HD22 ASN 10 lone 2 77 - 3 - HB2 ASN 26 - HD22 ASN 10 lone 1 70 - 2 - Peak 6134 from nnoeabs.peaks (6.98, 7.61, 113.40 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HD21 ASN 10 + HD22 ASN 10 OK 100 100 - 100 - 1.7=100 HD21 ASN 51 - HD22 ASN 10 lone 6 98 - 6 - 355/3.5=1, 362/3.5=1 HE ARG 91 - HD22 ASN 10 lone 1 84 - 1 - Peak 6135 from nnoeabs.peaks (8.67, 8.67, 122.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 11 + H ASP 11 OK 100 100 - 100 Peak 6137 from nnoeabs.peaks (4.94, 8.67, 122.72 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 10 + H ASP 11 OK 100 100 - 100 - 3.6=100 Peak 6138 from nnoeabs.peaks (2.93, 8.67, 122.72 ppm; 3.54 A): 1 out of 10 assignments used, quality = 0.74: * HB2 ASN 10 + H ASP 11 OK 74 100 - 74 - 4.6=45, 1.8/364=27...(8) HE3 LYS 90 - H ASP 11 lone 4 96 - 4 - HG2 MET 21 - H ASP 11 lone 3 87 - 4 - HB2 ASN 51 - H ASP 11 lone 3 65 - 4 - 346/3.6=1 HE2 LYS 94 - H ASP 11 lone 2 96 - 2 - HE3 LYS 20 - H ASP 11 lone 1 77 - 2 - HE2 LYS 20 - H ASP 11 lone 1 73 - 2 - HE3 LYS 94 - H ASP 11 lone 1 70 - 2 - HE3 LYS 73 - H ASP 11 lone 1 65 - 1 - HE2 LYS 68 - H ASP 11 lone 1 65 - 1 - Peak 6139 from nnoeabs.peaks (2.75, 8.67, 122.72 ppm; 4.33 A): 1 out of 5 assignments used, quality = 0.95: * HB3 ASN 10 + H ASP 11 OK 95 100 - 95 - 4.6=82, 1.8/6138=38...(9) HE2 LYS 40 - H ASP 11 lone 3 77 - 4 - 347/3.6=1, 6119/4.6=1 HE3 LYS 40 - H ASP 11 lone 3 73 - 4 - 347/3.6=1 HE2 LYS 82 - H ASP 11 lone 2 77 - 3 - HB2 ASN 26 - H ASP 11 lone 1 70 - 2 - Peak 6141 from nnoeabs.peaks (7.61, 8.67, 122.72 ppm; 5.71 A): 3 out of 4 assignments used, quality = 0.91: * HD22 ASN 10 + H ASP 11 OK 79 100 - 80 - 3.5/364=41, 3.5/357=40...(5) H GLU 48 + H ASP 11 OK 38 92 - 41 - 3.0/10387=10, 356/4.6=9...(9) H GLU 44 + H ASP 11 OK 26 99 - 26 - 6121/4.6=4, 3.0/10388=4...(9) HE22 GLN 50 - H ASP 11 poor 8 65 - 13 - 3.5/6143=3, 6.6/6145=3 Peak 6142 from nnoeabs.peaks (4.60, 8.67, 122.72 ppm; 3.50 A): 1 out of 5 assignments used, quality = 1.00: * HA ASP 11 + H ASP 11 OK 100 100 - 100 - 3.0=100 HA ILE 8 - H ASP 11 OK 27 77 - 36 - 3.0/8370=5, 4.1/8369=4...(17) HB THR 34 - H ASP 11 lone 6 100 - 6 - HA THR 84 - H ASP 11 lone 5 70 - 7 - 8425/8398=2, 8426/8400=1 HA HIS 105 - H ASP 11 lone 4 100 - 4 - Peak 6143 from nnoeabs.peaks (2.43, 8.67, 122.72 ppm; 3.23 A): 3 out of 7 assignments used, quality = 0.83: * HB2 ASP 11 + H ASP 11 OK 76 100 - 76 - 4.0=53, 1.8/375=23...(12) HG3 GLU 48 + H ASP 11 OK 19 100 - 19 - 8360/4.6=3, 4.1/10387=3...(7) HG3 GLU 17 + H ASP 11 OK 16 100 - 16 - 367/3.0=2, 377/4.0=1...(6) HG3 GLN 50 - H ASP 11 lone 8 100 - 8 - 367/3.0=1, 5.1/6145=1, 377/4.0=1 HG2 GLN 72 - H ASP 11 lone 5 96 - 5 - HG3 GLU 99 - H ASP 11 lone 4 98 - 4 - HG3 MET 1 - H ASP 11 lone 2 81 - 3 - Peak 6144 from nnoeabs.peaks (2.99, 8.67, 122.72 ppm; 3.08 A): 2 out of 4 assignments used, quality = 0.87: * HB3 ASP 11 + H ASP 11 OK 70 100 - 70 - 4.0=46, 1.8/370=24...(10) HB2 SER 9 + H ASP 11 OK 58 100 - 58 - 2.8/8372=20...(13) HE2 LYS 12 - H ASP 11 poor 10 84 - 12 - 7.3/6145=3, 3.0/10390=2...(4) HB2 PHE 45 - H ASP 11 lone 6 90 - 6 - Peak 6145 from nnoeabs.peaks (8.56, 8.67, 122.72 ppm; 3.83 A): 2 out of 4 assignments used, quality = 0.84: * H LYS 12 + H ASP 11 OK 83 100 - 83 - 4.7=56, 369/3.0=33...(8) H GLN 50 + H ASP 11 OK 10 81 - 12 - 374/4.0=3, 369/3.0=3...(5) H VAL 58 - H ASP 11 lone 4 57 - 6 - 4.0/8369=1 H ASP 61 - H ASP 11 lone 2 77 - 2 - Peak 6146 from nnoeabs.peaks (8.56, 8.56, 125.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 12 + H LYS 12 OK 100 100 - 100 Peak 6147 from nnoeabs.peaks (8.67, 8.56, 125.74 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 11 + H LYS 12 OK 100 100 - 100 - 4.7=100 H ALA 18 - H LYS 12 OK 12 65 - 19 - 8439/8438=4, 365/3.6=3...(6) Peak 6148 from nnoeabs.peaks (4.60, 8.56, 125.74 ppm; 3.00 A): 1 out of 5 assignments used, quality = 0.68: * HA ASP 11 + H LYS 12 OK 68 100 - 68 - 3.6=59, 3.0/6145=15...(6) HA ILE 8 - H LYS 12 lone 6 77 - 8 - 376/4.5=2, 6142/4.7=2, 371/4.5=2 HB THR 34 - H LYS 12 lone 2 100 - 2 - HA HIS 105 - H LYS 12 lone 2 100 - 1 - HA THR 84 - H LYS 12 lone 1 70 - 1 - Peak 6149 from nnoeabs.peaks (2.43, 8.56, 125.74 ppm; 4.78 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ASP 11 + H LYS 12 OK 100 100 - 100 - 4.5=100 HG3 GLU 48 - H LYS 12 OK 23 100 - 23 - 4.1/12314=7, 6143/4.7=5...(6) HG3 GLU 17 - H LYS 12 OK 21 100 - 21 - 6143/4.7=4, 367/3.6=4...(6) HG3 GLN 50 - H LYS 12 OK 16 100 - 16 - 367/3.6=2, 6143/4.7=2...(7) HG2 GLN 72 - H LYS 12 lone 8 96 - 8 - 367/3.6=1, 6143/4.7=1, 377/4.5=1 HG3 GLU 99 - H LYS 12 lone 7 98 - 6 - 6143/4.7=1, 367/3.6=1 HG3 MET 1 - H LYS 12 lone 4 81 - 5 - Peak 6150 from nnoeabs.peaks (2.99, 8.56, 125.74 ppm; 5.18 A): 3 out of 4 assignments used, quality = 1.00: * HB3 ASP 11 + H LYS 12 OK 100 100 - 100 - 4.5=100 HE2 LYS 12 + H LYS 12 OK 76 84 - 90 - 7.3=35, 4.0/415=31...(20) HB2 SER 9 + H LYS 12 OK 51 100 - 51 - 6144/4.7=15, 368/3.6=14...(15) HB2 PHE 45 - H LYS 12 poor 9 90 - 10 - 6144/4.7=1, 368/3.6=1 Peak 6151 from nnoeabs.peaks (3.85, 8.56, 125.74 ppm; 3.74 A): 1 out of 9 assignments used, quality = 1.00: * HA LYS 12 + H LYS 12 OK 100 100 - 100 - 2.9=100 HB3 SER 49 - H LYS 12 OK 15 100 - 15 - 2272=2, 1.8/2267=1...(7) HA LYS 40 - H LYS 12 OK 13 92 - 14 - 416/4.7=2, 6164/4.6=2...(4) HA ALA 67 - H LYS 12 OK 11 100 - 11 - 416/4.7=2, ~7094=1...(4) HA LYS 94 - H LYS 12 poor 10 90 - 11 - 11008/3.6=2, 6164/4.6=1 HA ALA 71 - H LYS 12 lone 8 94 - 8 - 6164/4.6=1 HA LEU 38 - H LYS 12 poor 8 61 - 12 - 3.6/6160=4, 6164/4.6=2 HA2 GLY 101 - H LYS 12 lone 6 90 - 7 - 6164/4.6=1 HA2 GLY 100 - H LYS 12 lone 3 90 - 4 - Peak 6152 from nnoeabs.peaks (1.86, 8.56, 125.74 ppm; 3.10 A): 2 out of 7 assignments used, quality = 0.96: HB3 LYS 12 + H LYS 12 OK 80 100 - 80 - 4.0=47, 3.0/415=14...(14) * HB2 LYS 12 + H LYS 12 OK 80 100 - 80 - 4.0=47, 3.0/415=14...(14) HB3 LYS 39 - H LYS 12 OK 18 100 - 19 - 393=4, 382/2.9=3...(9) HB3 LYS 66 - H LYS 12 poor 10 100 - 10 - 3.6/6155=2, 2903/4.7=2...(4) HB3 LYS 68 - H LYS 12 lone 6 97 - 6 - 383/2.9=1, 404=1 HB VAL 5 - H LYS 12 lone 3 100 - 3 - HB3 GLU 104 - H LYS 12 lone 1 98 - 1 - Peak 6153 from nnoeabs.peaks (1.87, 8.56, 125.74 ppm; 3.10 A): 2 out of 8 assignments used, quality = 0.96: * HB3 LYS 12 + H LYS 12 OK 80 100 - 80 - 4.0=47, 3.0/415=14...(15) HB2 LYS 12 + H LYS 12 OK 80 100 - 80 - 4.0=47, 3.0/415=14...(14) HB3 LYS 39 - H LYS 12 OK 18 99 - 19 - 393=4, 382/2.9=3...(9) HB3 LYS 66 - H LYS 12 poor 10 99 - 10 - 3.6/6155=2, 2903/4.7=2...(4) HB3 LYS 68 - H LYS 12 lone 6 99 - 6 - 383/2.9=1, 404=1 HB VAL 54 - H LYS 12 lone 4 61 - 6 - ~10658=2, 2.1/8380=1 HB VAL 5 - H LYS 12 lone 3 99 - 3 - HB3 GLU 104 - H LYS 12 lone 1 99 - 1 - Peak 6154 from nnoeabs.peaks (1.45, 8.56, 125.74 ppm; 4.17 A): 2 out of 16 assignments used, quality = 0.96: * HG2 LYS 12 + H LYS 12 OK 94 100 - 94 - 4.7=72, 1.8/426=27...(19) HG3 LYS 39 + H LYS 12 OK 34 99 - 34 - 384/2.9=6, 1713/4.6=5...(10) HG2 LYS 13 - H LYS 12 OK 32 77 - 41 - 4.8/6163=20, 384/2.9=4...(11) HG13 ILE 76 - H LYS 12 OK 14 94 - 15 - 4.5/6161=4, 384/2.9=2...(6) HB2 LEU 38 - H LYS 12 OK 14 92 - 15 - 1633/4.6=4, 4.6/6160=3...(4) HG LEU 29 - H LYS 12 OK 13 92 - 15 - 3.0/6155=3, 384/2.9=2...(6) HB2 LEU 27 - H LYS 12 OK 13 87 - 15 - 3.0/6155=2, 3.1/8380=2...(6) QB ALA 22 - H LYS 12 lone 9 92 - 10 - 8582/4.0=2, 8582/4.0=2...(4) HG LEU 38 - H LYS 12 lone 7 81 - 9 - 1649/4.6=2, 3.7/6151=1 HG13 ILE 52 - H LYS 12 lone 7 87 - 8 - 3.8/10200=3 HD2 LYS 40 - H LYS 12 lone 5 61 - 8 - 5.2/6151=1 HG3 ARG 91 - H LYS 12 lone 3 97 - 3 - HD2 LYS 82 - H LYS 12 lone 3 81 - 4 - 1.8/10931=1 HG2 LYS 20 - H LYS 12 lone 2 87 - 2 - HD2 LYS 53 - H LYS 12 lone 2 81 - 2 - HG2 LYS 53 - H LYS 12 lone 1 65 - 2 - Peak 6155 from nnoeabs.peaks (1.59, 8.56, 125.74 ppm; 3.67 A): 6 out of 13 assignments used, quality = 0.94: * HG3 LYS 12 + H LYS 12 OK 85 100 - 85 - 4.7=49, 1.8/415=26...(18) HD2 LYS 66 + H LYS 12 OK 23 97 - 24 - 2933/4.0=4, 2933/4.0=4...(9) HG2 LYS 24 + H LYS 12 OK 22 96 - 23 - 426=5, 385/2.9=3...(11) HB3 LEU 29 + H LYS 12 OK 14 100 - 14 - 385/2.9=2, 8670/4.0=2...(5) HG3 LYS 73 + H LYS 12 OK 13 99 - 13 - 426=4, 385/2.9=2...(4) HG LEU 27 + H LYS 12 OK 13 99 - 13 - 385/2.9=2, 2.1/8380=2...(5) HD3 LYS 94 - H LYS 12 lone 9 99 - 9 - 385/2.9=2 HG3 LYS 90 - H LYS 12 lone 8 92 - 9 - 385/2.9=2, ~392=1 HG2 ARG 19 - H LYS 12 lone 2 94 - 2 - HB2 ARG 30 - H LYS 12 lone 2 94 - 2 - HB2 LEU 103 - H LYS 12 lone 2 94 - 2 - HB2 ARG 79 - H LYS 12 lone 1 98 - 1 - HG LEU 103 - H LYS 12 lone 1 87 - 1 - Peak 6156 from nnoeabs.peaks (1.70, 8.56, 125.74 ppm; 4.43 A): 5 out of 17 assignments used, quality = 1.00: HD3 LYS 12 + H LYS 12 OK 90 100 - 90 - 6.2=37, 3.0/415=29...(19) * HD2 LYS 12 + H LYS 12 OK 90 100 - 90 - 6.2=37, 3.0/415=29...(19) HG12 ILE 15 + H LYS 12 OK 67 97 - 69 - 2.1/8438=20, 1.8/8380=13...(17) HD2 LYS 13 + H LYS 12 OK 46 100 - 46 - 6.0/6163=16, 3.0/6154=4...(19) HD3 LYS 13 + H LYS 12 OK 46 100 - 46 - 6.0/6163=16, 3.0/6154=4...(19) HD3 LYS 66 - H LYS 12 OK 32 100 - 32 - 2944/4.0=6, 2944/4.0=6...(9) HD3 LYS 24 - H LYS 12 OK 30 99 - 31 - 3.0/426=5, 3.0/6159=3...(16) HD2 LYS 24 - H LYS 12 OK 30 99 - 31 - 3.0/426=5, 3.0/6159=3...(16) HG LEU 70 - H LYS 12 OK 16 100 - 16 - ~392=2, 9539/2.9=2...(6) HD3 LYS 90 - H LYS 12 OK 15 99 - 15 - ~392=3, 2.9/6155=2...(4) HB3 LEU 70 - H LYS 12 OK 10 77 - 13 - 3141/2.9=2, ~3132=2...(6) HB2 LEU 2 - H LYS 12 lone 8 100 - 8 - 10390/4.7=1 HB3 LYS 40 - H LYS 12 poor 7 70 - 11 - 3.0/6151=3, ~1784=1 HG2 PRO 86 - H LYS 12 lone 4 96 - 4 - HD3 LYS 47 - H LYS 12 lone 3 61 - 5 - HB3 ARG 91 - H LYS 12 lone 2 65 - 3 - HB3 LYS 53 - H LYS 12 lone 2 77 - 2 - Peak 6157 from nnoeabs.peaks (1.70, 8.56, 125.74 ppm; 4.43 A): 5 out of 17 assignments used, quality = 1.00: * HD3 LYS 12 + H LYS 12 OK 90 100 - 90 - 6.2=37, 3.0/415=29...(19) HD2 LYS 12 + H LYS 12 OK 90 100 - 90 - 6.2=37, 3.0/415=29...(19) HG12 ILE 15 + H LYS 12 OK 67 97 - 69 - 2.1/8438=20, 1.8/8380=13...(17) HD2 LYS 13 + H LYS 12 OK 46 100 - 46 - 6.0/6163=16, 3.0/6154=4...(19) HD3 LYS 13 + H LYS 12 OK 46 100 - 46 - 6.0/6163=16, 3.0/6154=4...(19) HD3 LYS 66 - H LYS 12 OK 32 100 - 32 - 2944/4.0=6, 2944/4.0=6...(9) HD3 LYS 24 - H LYS 12 OK 30 99 - 31 - 3.0/426=5, 3.0/6159=3...(16) HD2 LYS 24 - H LYS 12 OK 30 99 - 31 - 3.0/426=5, 3.0/6159=3...(16) HG LEU 70 - H LYS 12 OK 16 100 - 16 - ~392=2, 9539/2.9=2...(6) HD3 LYS 90 - H LYS 12 OK 15 99 - 15 - ~392=3, 2.9/6155=2...(4) HB3 LEU 70 - H LYS 12 OK 10 77 - 13 - 3141/2.9=2, ~3132=2...(6) HB2 LEU 2 - H LYS 12 lone 8 100 - 8 - 10390/4.7=1 HB3 LYS 40 - H LYS 12 poor 7 70 - 11 - 3.0/6151=3, ~1784=1 HG2 PRO 86 - H LYS 12 lone 4 96 - 4 - HD3 LYS 47 - H LYS 12 lone 3 61 - 5 - HB3 ARG 91 - H LYS 12 lone 2 65 - 3 - HB3 LYS 53 - H LYS 12 lone 2 77 - 2 - Peak 6158 from nnoeabs.peaks (3.01, 8.56, 125.74 ppm; 5.16 A): 2 out of 5 assignments used, quality = 0.99: * HE2 LYS 12 + H LYS 12 OK 91 100 - 91 - 7.3=35, 4.0/415=30...(20) HB3 ASP 11 + H LYS 12 OK 84 84 - 100 - 4.5=100 HB2 SER 9 - H LYS 12 OK 32 73 - 44 - 368/3.6=12, 6144/4.7=10...(14) HE3 LYS 33 - H LYS 12 OK 12 84 - 14 - 388/2.9=2, 6171/4.6=2...(8) HE2 LYS 33 - H LYS 12 OK 12 84 - 14 - 388/2.9=2, 6171/4.6=2...(8) Peak 6159 from nnoeabs.peaks (2.96, 8.56, 125.74 ppm; 5.57 A): 3 out of 12 assignments used, quality = 0.98: * HE3 LYS 12 + H LYS 12 OK 93 100 - 93 - 7.3=44, 4.0/415=34...(18) HE2 LYS 13 + H LYS 12 OK 51 99 - 52 - 7.3/6163=18, 389/2.9=6...(16) HE3 LYS 13 + H LYS 12 OK 50 97 - 52 - 7.3/6163=18, 389/2.9=6...(16) HE3 LYS 24 - H LYS 12 OK 37 100 - 38 - 3.7/426=5, 389/2.9=5...(15) HE2 LYS 24 - H LYS 12 OK 37 100 - 38 - 3.7/426=5, 389/2.9=5...(15) HE2 LYS 73 - H LYS 12 OK 10 81 - 13 - 4.0/426=4, 6180/4.6=1...(4) HE2 LYS 47 - H LYS 12 poor 10 94 - 10 - 6172/4.6=2, 389/2.9=1 HE3 LYS 47 - H LYS 12 poor 10 94 - 10 - 6172/4.6=2, 389/2.9=1 HB3 PHE 45 - H LYS 12 lone 8 100 - 8 - 1.8/6150=2, 389/2.9=1 HE3 LYS 73 - H LYS 12 poor 7 61 - 12 - 4.0/426=4, 6181/4.6=1 HB2 PHE 45 - H LYS 12 lone 3 65 - 5 - HB2 ASN 51 - H LYS 12 lone 3 61 - 5 - Peak 6160 from nnoeabs.peaks (8.07, 8.56, 125.74 ppm; 3.63 A): 5 out of 6 assignments used, quality = 0.92: * H LYS 13 + H LYS 12 OK 77 100 - 77 - 4.6=48, 391/2.9=14...(15) H ILE 15 + H LYS 12 OK 43 100 - 43 - 4.6/6185=9, 6206/2.9=8...(11) H LYS 39 + H LYS 12 OK 25 96 - 27 - 390/2.9=5, 425/4.7=4...(10) H GLU 17 + H LYS 12 OK 11 87 - 13 - 8376/4.5=2, 6259/4.7=1...(6) H GLU 75 + H LYS 12 OK 11 100 - 11 - 4.6/6161=3, 390/2.9=2...(4) H SER 102 - H LYS 12 lone 3 73 - 4 - Peak 6161 from nnoeabs.peaks (7.55, 8.56, 125.74 ppm; 5.63 A): 2 out of 3 assignments used, quality = 0.94: * H LEU 14 + H LYS 12 OK 91 100 - 92 - 6185=38, 4.6/6163=35...(14) H ILE 76 + H LYS 12 OK 31 96 - 33 - 6182/4.6=14, 9649/2.9=6...(7) H GLU 88 - H LYS 12 lone 5 61 - 8 - 6182/4.6=2, 8437/8438=1 Peak 6162 from nnoeabs.peaks (8.07, 8.07, 119.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 13 + H LYS 13 OK 100 100 - 100 Peak 6163 from nnoeabs.peaks (8.56, 8.07, 119.60 ppm; 3.38 A): 1 out of 4 assignments used, quality = 0.69: * H LYS 12 + H LYS 13 OK 69 100 - 69 - 4.6=39, 2.9/391=12...(15) H GLN 50 - H LYS 13 lone 6 81 - 8 - 380/3.6=2 H VAL 58 - H LYS 13 lone 2 57 - 4 - 6185/4.6=1 H ASP 61 - H LYS 13 lone 2 77 - 2 - Peak 6164 from nnoeabs.peaks (3.85, 8.07, 119.60 ppm; 4.06 A): 1 out of 9 assignments used, quality = 1.00: * HA LYS 12 + H LYS 13 OK 100 100 - 100 - 3.6=100 HA LYS 40 - H LYS 13 OK 23 92 - 25 - 2.9/6618=7, 3.6/6642=3...(9) HA LEU 38 - H LYS 13 OK 21 61 - 34 - 3.0/1633=5, 3.0/1641=5...(9) HA2 GLY 101 - H LYS 13 OK 17 90 - 20 - ~10099=5, ~492=3...(7) HA ALA 71 - H LYS 13 OK 14 94 - 15 - 3.6/10827=3, 10829/4.6=2 HA LYS 94 - H LYS 13 OK 13 90 - 15 - 8392/2.9=2, 6186/4.6=1...(5) HB3 SER 49 - H LYS 13 OK 12 100 - 12 - 2272/4.6=2, 4.3/6163=2 HA ALA 67 - H LYS 13 OK 11 100 - 11 - 6151/4.6=1, 6186/4.6=1...(4) HA2 GLY 100 - H LYS 13 lone 7 90 - 8 - 8392/2.9=2, 3.6/7634=1 Peak 6165 from nnoeabs.peaks (1.86, 8.07, 119.60 ppm; 2.97 A): 3 out of 7 assignments used, quality = 0.89: * HB2 LYS 12 + H LYS 13 OK 62 100 - 62 - 4.2=35, 4.0/6163=13...(12) HB3 LYS 12 + H LYS 13 OK 62 100 - 62 - 4.2=35, 4.0/6163=13...(12) HB3 LYS 39 + H LYS 13 OK 26 100 - 26 - 1.8/1680=5, 3.0/1713=4...(10) HB3 LYS 66 - H LYS 13 lone 9 100 - 9 - 3.0/6177=1, 3.0/6177=1...(4) HB3 LYS 68 - H LYS 13 lone 7 97 - 7 - HB VAL 5 - H LYS 13 lone 4 100 - 4 - HB3 GLU 104 - H LYS 13 lone 1 98 - 1 - Peak 6166 from nnoeabs.peaks (1.87, 8.07, 119.60 ppm; 2.97 A): 3 out of 8 assignments used, quality = 0.89: * HB3 LYS 12 + H LYS 13 OK 62 100 - 62 - 4.2=35, 4.0/6163=13...(12) HB2 LYS 12 + H LYS 13 OK 62 100 - 62 - 4.2=35, 4.0/6163=13...(12) HB3 LYS 39 + H LYS 13 OK 26 99 - 26 - 1.8/1680=5, 3.0/1713=4...(10) HB3 LYS 66 - H LYS 13 lone 9 99 - 9 - 3.0/6177=1, 3.0/6177=1...(4) HB3 LYS 68 - H LYS 13 lone 7 99 - 7 - HB VAL 5 - H LYS 13 lone 4 99 - 4 - HB3 GLU 104 - H LYS 13 lone 1 99 - 1 - HB VAL 54 - H LYS 13 lone 1 61 - 2 - Peak 6167 from nnoeabs.peaks (1.45, 8.07, 119.60 ppm; 3.80 A): 3 out of 16 assignments used, quality = 0.95: * HG2 LYS 12 + H LYS 13 OK 73 100 - 73 - 425=18, 4.7/6163=17...(22) HG2 LYS 13 + H LYS 13 OK 65 77 - 84 - 4.8=49, 1.8/6177=15...(22) HG3 LYS 39 + H LYS 13 OK 48 99 - 48 - 1713=10, 3.0/1680=6...(14) HB2 LEU 38 - H LYS 13 OK 34 92 - 37 - 1.8/1641=6, 1633=6...(13) HG LEU 38 - H LYS 13 OK 24 81 - 30 - ~8385=5, 3.0/1633=5...(9) HG13 ILE 76 - H LYS 13 OK 20 94 - 21 - 4.5/6182=7, 3441/4.6=3...(4) HG LEU 29 - H LYS 13 OK 11 92 - 12 - 384/3.6=2, 8675/4.2=1...(4) QB ALA 22 - H LYS 13 poor 10 92 - 11 - 8582/4.2=1, 8582/4.2=1 HB2 LEU 27 - H LYS 13 poor 9 87 - 10 - 3.1/8383=2, 384/3.6=2...(4) HG3 ARG 91 - H LYS 13 lone 5 97 - 5 - HD2 LYS 40 - H LYS 13 lone 4 61 - 7 - 6.2/6618=2, 5.2/6164=2 HG13 ILE 52 - H LYS 13 lone 4 87 - 4 - HG2 LYS 20 - H LYS 13 lone 3 87 - 3 - HD2 LYS 82 - H LYS 13 lone 2 81 - 3 - HD2 LYS 53 - H LYS 13 lone 1 81 - 2 - HG2 LYS 53 - H LYS 13 lone 1 65 - 1 - Peak 6168 from nnoeabs.peaks (1.59, 8.07, 119.60 ppm; 4.98 A): 4 out of 13 assignments used, quality = 0.96: * HG3 LYS 12 + H LYS 13 OK 86 100 - 86 - 4.7/6163=29, 1.8/425=20...(18) HG2 LYS 24 + H LYS 13 OK 39 96 - 41 - 1.8/6177=4, 385/3.6=4...(16) HD2 LYS 66 + H LYS 13 OK 36 97 - 38 - 2933/4.2=7, 2933/4.2=7...(10) HG3 LYS 73 + H LYS 13 OK 36 99 - 36 - 436=4, 1.8/6177=4...(17) HB3 LEU 29 - H LYS 13 OK 22 100 - 22 - 8670/4.2=5, 8670/4.2=5...(5) HG LEU 27 - H LYS 13 OK 19 99 - 19 - 2.1/8383=3, 385/3.6=3...(7) HD3 LYS 94 - H LYS 13 OK 17 99 - 17 - 4242/3.6=3, 4.7/6164=2...(6) HG3 LYS 90 - H LYS 13 OK 15 92 - 16 - 4.0/8389=5, 385/3.6=2...(4) HG2 ARG 19 - H LYS 13 lone 7 94 - 8 - 4.9/6279=1 HB2 LEU 103 - H LYS 13 lone 5 94 - 5 - HB2 ARG 30 - H LYS 13 lone 4 94 - 5 - HG LEU 103 - H LYS 13 lone 4 87 - 5 - ~8385=1 HB2 ARG 79 - H LYS 13 lone 3 98 - 4 - Peak 6169 from nnoeabs.peaks (1.70, 8.07, 119.60 ppm; 3.95 A): 4 out of 17 assignments used, quality = 1.00: HD2 LYS 13 + H LYS 13 OK 80 100 - 80 - 6.0=28, 3.0/517=15...(27) HD3 LYS 13 + H LYS 13 OK 80 100 - 80 - 6.0=28, 3.0/517=15...(27) HD3 LYS 12 + H LYS 13 OK 70 100 - 70 - 3.0/425=12, 3.6/6165=12...(24) * HD2 LYS 12 + H LYS 13 OK 70 100 - 70 - 3.0/425=12, 3.6/6165=12...(24) HG12 ILE 15 - H LYS 13 OK 44 97 - 46 - 2.1/677=9, 1.8/669=9...(11) HD3 LYS 24 - H LYS 13 OK 31 99 - 32 - 3.0/6177=3, 3.0/6168=3...(17) HD2 LYS 24 - H LYS 13 OK 31 99 - 32 - 3.0/6177=3, 3.0/6168=3...(17) HD3 LYS 66 - H LYS 13 OK 25 100 - 25 - 2944/4.2=5, 2944/4.2=5...(8) HD3 LYS 47 - H LYS 13 OK 16 61 - 26 - 3.0/6177=4, ~2169=2...(12) HG2 PRO 86 - H LYS 13 OK 14 96 - 15 - 2.3/10953=4, 6193/4.6=2...(4) HB2 LEU 2 - H LYS 13 OK 14 100 - 14 - 10354/2.9=2, ~10355=2...(4) HD3 LYS 90 - H LYS 13 OK 13 99 - 13 - 5.2/8389=2, 661=1...(4) HG LEU 70 - H LYS 13 OK 12 100 - 12 - 2.1/10812=2, 9539/3.6=2 HB3 LYS 40 - H LYS 13 OK 10 70 - 15 - 4.1/6618=5, 3.0/6164=3...(4) HB3 LEU 70 - H LYS 13 lone 7 77 - 8 - 3.1/10812=1, 3141/3.6=1 HB3 ARG 91 - H LYS 13 lone 3 65 - 5 - HB3 LYS 53 - H LYS 13 lone 2 77 - 2 - Peak 6170 from nnoeabs.peaks (1.70, 8.07, 119.60 ppm; 3.95 A): 4 out of 17 assignments used, quality = 1.00: HD2 LYS 13 + H LYS 13 OK 80 100 - 80 - 6.0=28, 3.0/517=15...(27) HD3 LYS 13 + H LYS 13 OK 80 100 - 80 - 6.0=28, 3.0/517=15...(27) * HD3 LYS 12 + H LYS 13 OK 70 100 - 70 - 3.0/425=12, 3.6/6165=12...(24) HD2 LYS 12 + H LYS 13 OK 70 100 - 70 - 3.0/425=12, 3.6/6165=12...(24) HG12 ILE 15 - H LYS 13 OK 44 97 - 46 - 2.1/677=9, 1.8/669=9...(11) HD3 LYS 24 - H LYS 13 OK 31 99 - 32 - 3.0/6177=3, 3.0/6168=3...(17) HD2 LYS 24 - H LYS 13 OK 31 99 - 32 - 3.0/6177=3, 3.0/6168=3...(17) HD3 LYS 66 - H LYS 13 OK 25 100 - 25 - 2944/4.2=5, 2944/4.2=5...(8) HD3 LYS 47 - H LYS 13 OK 16 61 - 26 - 3.0/6177=4, ~2169=2...(12) HG2 PRO 86 - H LYS 13 OK 14 96 - 15 - 2.3/10953=4, 6193/4.6=2...(4) HB2 LEU 2 - H LYS 13 OK 14 100 - 14 - 10354/2.9=2, ~10355=2...(4) HD3 LYS 90 - H LYS 13 OK 13 99 - 13 - 5.2/8389=2, 661=1...(4) HG LEU 70 - H LYS 13 OK 12 100 - 12 - 2.1/10812=2, 9539/3.6=2 HB3 LYS 40 - H LYS 13 OK 10 70 - 15 - 4.1/6618=5, 3.0/6164=3...(4) HB3 LEU 70 - H LYS 13 lone 7 77 - 8 - 3.1/10812=1, 3141/3.6=1 HB3 ARG 91 - H LYS 13 lone 3 65 - 5 - HB3 LYS 53 - H LYS 13 lone 2 77 - 2 - Peak 6171 from nnoeabs.peaks (3.01, 8.07, 119.60 ppm; 5.38 A): 2 out of 5 assignments used, quality = 0.93: * HE2 LYS 12 + H LYS 13 OK 82 100 - 83 - 460/3.6=19, 4.0/425=16...(27) HB3 ASP 11 + H LYS 13 OK 58 84 - 69 - 4.5/6163=34, 8379/4.6=17...(15) HB2 SER 9 - H LYS 13 OK 24 73 - 33 - 12269/4.6=7, 8342/8390=7...(10) HE3 LYS 33 - H LYS 13 OK 15 84 - 18 - 3.9/6177=3, 388/3.6=2...(10) HE2 LYS 33 - H LYS 13 OK 15 84 - 18 - 3.9/6177=3, 388/3.6=2...(10) Peak 6172 from nnoeabs.peaks (2.96, 8.07, 119.60 ppm; 5.24 A): 5 out of 12 assignments used, quality = 1.00: HE2 LYS 13 + H LYS 13 OK 85 99 - 86 - 7.3=37, 3.8/517=19...(24) HE3 LYS 13 + H LYS 13 OK 83 97 - 86 - 7.3=37, 3.8/517=19...(24) * HE3 LYS 12 + H LYS 13 OK 78 100 - 78 - 1.8/6171=17, 4.0/425=16...(20) HE3 LYS 24 + H LYS 13 OK 47 100 - 47 - 3.7/6168=4, 389/3.6=4...(25) HE2 LYS 24 + H LYS 13 OK 47 100 - 47 - 3.7/6168=4, 389/3.6=4...(25) HE3 LYS 47 - H LYS 13 OK 34 94 - 36 - 3.8/6177=5, 2202/2.9=4...(17) HE2 LYS 47 - H LYS 13 OK 34 94 - 36 - 3.8/6177=5, 2202/2.9=4...(17) HE2 LYS 73 - H LYS 13 OK 19 81 - 24 - 4.0/6168=4, 4.0/6177=3...(10) HE3 LYS 73 - H LYS 13 OK 15 61 - 24 - 4.0/6168=4, 4.0/6177=3...(11) HB3 PHE 45 - H LYS 13 OK 10 100 - 10 - 6195/4.6=2 HB2 ASN 51 - H LYS 13 lone 6 61 - 9 - ~9134=2, ~9130=2, 9131/2.9=1 HB2 PHE 45 - H LYS 13 lone 5 65 - 7 - Peak 6173 from nnoeabs.peaks (4.15, 8.07, 119.60 ppm; 3.28 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 13 + H LYS 13 OK 100 100 - 100 - 2.9=100 HA LYS 47 - H LYS 13 OK 17 90 - 19 - 518/4.8=2, 3.9/6177=2...(8) HA GLN 72 - H LYS 13 OK 17 100 - 17 - 481=2, 3.0/10827=2...(4) HA LYS 73 - H LYS 13 OK 10 70 - 15 - 3.6/7231=3, 4.8/3333=2...(5) HA GLU 23 - H LYS 13 lone 7 96 - 7 - HA MET 1 - H LYS 13 lone 7 100 - 6 - HB2 SER 59 - H LYS 13 lone 4 99 - 4 - Peak 6174 from nnoeabs.peaks (1.92, 8.07, 119.60 ppm; 2.77 A): 4 out of 10 assignments used, quality = 0.91: * HB2 LYS 13 + H LYS 13 OK 62 100 - 62 - 4.0=32, 1.8/495=8...(15) HB3 LYS 13 + H LYS 13 OK 62 100 - 62 - 4.0=32, 1.8/495=8...(15) HB3 LEU 14 + H LYS 13 OK 25 81 - 31 - 3.8/6182=9, 3.0/8389=3...(10) HB3 LYS 47 + H LYS 13 OK 12 96 - 13 - 3.0/6177=2, 3.0/6173=2 HB3 LYS 33 - H LYS 13 lone 6 100 - 6 - 2.8/6177=1 HB2 LYS 33 - H LYS 13 lone 6 100 - 6 - 2.8/6177=1 HB2 LYS 94 - H LYS 13 lone 4 98 - 4 - HB2 GLU 43 - H LYS 13 lone 3 92 - 3 - HB3 ARG 19 - H LYS 13 lone 2 84 - 2 - HB3 LYS 20 - H LYS 13 lone 1 65 - 1 - Peak 6175 from nnoeabs.peaks (1.91, 8.07, 119.60 ppm; 2.77 A): 4 out of 11 assignments used, quality = 0.91: * HB3 LYS 13 + H LYS 13 OK 62 100 - 62 - 4.0=32, 1.8/495=8...(15) HB2 LYS 13 + H LYS 13 OK 62 100 - 62 - 4.0=32, 1.8/495=8...(15) HB3 LEU 14 + H LYS 13 OK 27 87 - 31 - 3.8/6182=9, 3.0/8389=3...(10) HB3 LYS 47 + H LYS 13 OK 12 92 - 13 - 3.0/6177=2, 3.0/6173=2 HB ILE 8 - H LYS 13 poor 9 61 - 15 - 3.0/8390=10, 3.2/8384=1 HB3 LYS 33 - H LYS 13 lone 6 100 - 6 - 2.8/6177=1 HB2 LYS 33 - H LYS 13 lone 6 100 - 6 - 2.8/6177=1 HB2 LYS 94 - H LYS 13 lone 4 96 - 4 - HB2 GLU 43 - H LYS 13 lone 3 96 - 3 - HG LEU 42 - H LYS 13 lone 2 65 - 4 - HB3 ARG 19 - H LYS 13 lone 2 77 - 2 - Peak 6176 from nnoeabs.peaks (1.43, 8.07, 119.60 ppm; 3.80 A): 3 out of 7 assignments used, quality = 0.96: * HG2 LYS 13 + H LYS 13 OK 86 100 - 86 - 4.8=49, 518/2.9=15...(22) HG2 LYS 12 + H LYS 13 OK 55 77 - 71 - 4.7/6163=17, 3.0/6165=13...(20) HG3 LYS 39 + H LYS 13 OK 41 90 - 46 - 1713=8, 3.0/1680=6...(15) HG13 ILE 76 - H LYS 13 OK 22 98 - 23 - 4.5/6182=7, 3441/4.6=4...(6) HG12 ILE 7 - H LYS 13 OK 17 98 - 17 - 6191/4.6=3, 2.1/10379=2...(5) HG LEU 29 - H LYS 13 OK 12 99 - 12 - 8675/4.2=2, 8675/4.2=2...(4) QB ALA 22 - H LYS 13 OK 12 99 - 12 - 8582/4.2=1, 8582/4.2=1 Peak 6177 from nnoeabs.peaks (1.50, 8.07, 119.60 ppm; 3.64 A): 7 out of 12 assignments used, quality = 0.94: * HG3 LYS 13 + H LYS 13 OK 81 100 - 81 - 4.8=43, 1.8/517=16...(18) HG2 LYS 47 + H LYS 13 OK 28 98 - 29 - 486/2.9=3, 528=3...(13) HG3 LYS 24 + H LYS 13 OK 18 90 - 21 - 1.8/6168=3, 486/2.9=2...(10) HG2 LYS 73 + H LYS 13 OK 18 99 - 18 - 1.8/436=3, 528=2...(7) HG3 LYS 66 + H LYS 13 OK 15 99 - 15 - 2.9/6168=2, 2922/4.2=2...(6) HG2 LYS 66 + H LYS 13 OK 15 98 - 15 - 2.9/6168=2, 2922/4.2=2...(6) HG3 LYS 33 + H LYS 13 OK 14 97 - 15 - 486/2.9=2, 522/4.8=2...(10) HB3 LEU 64 - H LYS 13 lone 7 97 - 7 - 6192/4.6=1, ~8385=1 HG LEU 2 - H LYS 13 lone 6 65 - 9 - ~12305=1 HB2 ARG 91 - H LYS 13 lone 5 90 - 5 - HG LEU 57 - H LYS 13 lone 4 99 - 4 - HG LEU 64 - H LYS 13 lone 4 70 - 5 - ~8385=1 Peak 6178 from nnoeabs.peaks (1.70, 8.07, 119.60 ppm; 3.95 A): 4 out of 17 assignments used, quality = 1.00: * HD2 LYS 13 + H LYS 13 OK 80 100 - 80 - 6.0=28, 3.0/517=15...(27) HD3 LYS 13 + H LYS 13 OK 80 100 - 80 - 6.0=28, 3.0/517=15...(27) HD3 LYS 12 + H LYS 13 OK 70 100 - 70 - 3.0/425=12, 3.6/6165=12...(24) HD2 LYS 12 + H LYS 13 OK 70 100 - 70 - 3.0/425=12, 3.6/6165=12...(24) HG12 ILE 15 - H LYS 13 OK 44 97 - 46 - 2.1/677=9, 1.8/669=9...(11) HD3 LYS 24 - H LYS 13 OK 31 99 - 32 - 3.0/6177=3, 3.0/6168=3...(17) HD2 LYS 24 - H LYS 13 OK 31 99 - 32 - 3.0/6177=3, 3.0/6168=3...(17) HD3 LYS 66 - H LYS 13 OK 25 100 - 25 - 2944/4.2=5, 2944/4.2=5...(8) HD3 LYS 47 - H LYS 13 OK 16 61 - 26 - 3.0/6177=4, ~2169=2...(12) HG2 PRO 86 - H LYS 13 OK 14 96 - 15 - 2.3/10953=4, 6193/4.6=2...(4) HB2 LEU 2 - H LYS 13 OK 14 100 - 14 - 10354/2.9=2, ~10355=2...(4) HD3 LYS 90 - H LYS 13 OK 13 99 - 13 - 5.2/8389=2, 661=1...(4) HG LEU 70 - H LYS 13 OK 12 100 - 12 - 2.1/10812=2, 9539/3.6=2 HB3 LYS 40 - H LYS 13 OK 10 70 - 15 - 4.1/6618=5, 3.0/6164=3...(4) HB3 LEU 70 - H LYS 13 lone 7 77 - 8 - 3.1/10812=1, 3141/3.6=1 HB3 ARG 91 - H LYS 13 lone 3 65 - 5 - HB3 LYS 53 - H LYS 13 lone 2 77 - 2 - Peak 6179 from nnoeabs.peaks (1.70, 8.07, 119.60 ppm; 3.95 A): 4 out of 15 assignments used, quality = 1.00: * HD3 LYS 13 + H LYS 13 OK 80 100 - 80 - 6.0=28, 3.0/517=15...(27) HD2 LYS 13 + H LYS 13 OK 80 100 - 80 - 6.0=28, 3.0/517=15...(27) HD3 LYS 12 + H LYS 13 OK 70 100 - 70 - 3.0/425=12, 3.6/6165=12...(24) HD2 LYS 12 + H LYS 13 OK 70 100 - 70 - 3.0/425=12, 3.6/6165=12...(24) HG12 ILE 15 - H LYS 13 OK 43 94 - 46 - 2.1/677=9, 1.8/669=9...(11) HD3 LYS 24 - H LYS 13 OK 31 98 - 32 - 3.0/6177=3, 3.0/6168=3...(17) HD2 LYS 24 - H LYS 13 OK 31 97 - 32 - 3.0/6177=3, 3.0/6168=3...(17) HD3 LYS 66 - H LYS 13 OK 25 100 - 25 - 2944/4.2=5, 2944/4.2=5...(8) HG2 PRO 86 - H LYS 13 OK 14 92 - 15 - 2.3/10953=4, 6193/4.6=2...(4) HB2 LEU 2 - H LYS 13 OK 14 100 - 14 - 10354/2.9=2, ~10355=2...(4) HD3 LYS 90 - H LYS 13 OK 12 98 - 13 - 5.2/8389=2, 661=1...(4) HG LEU 70 - H LYS 13 OK 12 99 - 12 - 2.1/10812=2, 9539/3.6=2 HB3 LYS 40 - H LYS 13 poor 9 61 - 15 - 4.1/6618=5, 3.0/6164=3...(4) HB3 LEU 70 - H LYS 13 lone 8 84 - 9 - 3141/3.6=2, 3.1/10812=1 HB3 LYS 53 - H LYS 13 lone 1 70 - 2 - Peak 6180 from nnoeabs.peaks (2.96, 8.07, 119.60 ppm; 5.24 A): 5 out of 11 assignments used, quality = 1.00: * HE2 LYS 13 + H LYS 13 OK 86 100 - 86 - 7.3=37, 3.8/517=19...(24) HE3 LYS 13 + H LYS 13 OK 86 100 - 86 - 7.3=37, 3.8/517=19...(24) HE3 LYS 12 + H LYS 13 OK 77 99 - 78 - 1.8/6171=17, 4.0/425=16...(20) HE3 LYS 24 + H LYS 13 OK 47 100 - 47 - 3.7/6168=4, 389/3.6=4...(25) HE2 LYS 24 + H LYS 13 OK 47 100 - 47 - 3.7/6168=4, 389/3.6=4...(25) HE3 LYS 47 - H LYS 13 OK 28 81 - 35 - 3.8/6177=5, ~2213=3...(17) HE2 LYS 47 - H LYS 13 OK 28 81 - 35 - 3.8/6177=5, ~2213=3...(17) HE2 LYS 73 - H LYS 13 OK 23 94 - 25 - 4.0/6168=4, 4.0/6177=3...(10) HE3 LYS 73 - H LYS 13 OK 20 81 - 24 - 4.0/6168=4, 4.0/6177=3...(12) HB3 PHE 45 - H LYS 13 lone 10 97 - 10 - 6195/4.6=2 HB2 ASN 51 - H LYS 13 poor 8 81 - 10 - ~9134=2, 9131/2.9=2, ~9130=2 Peak 6181 from nnoeabs.peaks (2.96, 8.07, 119.60 ppm; 5.24 A): 5 out of 12 assignments used, quality = 1.00: HE2 LYS 13 + H LYS 13 OK 86 100 - 86 - 7.3=37, 3.8/517=19...(24) * HE3 LYS 13 + H LYS 13 OK 86 100 - 86 - 7.3=37, 3.8/517=19...(24) HE3 LYS 12 + H LYS 13 OK 75 97 - 78 - 1.8/6171=17, 4.0/425=16...(20) HE3 LYS 24 + H LYS 13 OK 46 99 - 47 - 3.7/6168=4, 389/3.6=4...(24) HE2 LYS 24 + H LYS 13 OK 46 99 - 47 - 3.7/6168=4, 389/3.6=4...(24) HE2 LYS 47 - H LYS 13 OK 25 73 - 34 - 3.8/6177=5, ~2213=3...(17) HE3 LYS 47 - H LYS 13 OK 25 73 - 34 - 3.8/6177=5, ~2213=3...(17) HE2 LYS 73 - H LYS 13 OK 24 97 - 25 - 4.0/6168=4, 4.0/6177=3...(10) HE3 LYS 73 - H LYS 13 OK 22 87 - 25 - 4.0/6168=4, 4.0/6177=3...(12) HB2 ASN 51 - H LYS 13 poor 9 87 - 11 - 9131/2.9=2, ~9134=2, ~9130=2 HB3 PHE 45 - H LYS 13 lone 9 94 - 10 - 6195/4.6=2 HG2 MET 21 - H LYS 13 lone 3 65 - 5 - Peak 6182 from nnoeabs.peaks (7.55, 8.07, 119.60 ppm; 3.06 A): 2 out of 3 assignments used, quality = 0.73: * H LEU 14 + H LYS 13 OK 61 100 - 61 - 4.6=29, 6185/4.6=6...(14) H ILE 76 + H LYS 13 OK 31 96 - 32 - 7247=7, 491/2.9=4...(12) H GLU 88 - H LYS 13 lone 5 61 - 8 - 3.0/8389=2, 491/2.9=1 Peak 6183 from nnoeabs.peaks (8.07, 8.07, 119.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: H LYS 13 + H LYS 13 OK 100 100 - 100 Reference assignment not found: H ILE 15 - H LYS 13 Peak 6184 from nnoeabs.peaks (7.55, 7.55, 122.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 14 + H LEU 14 OK 100 100 - 100 Peak 6185 from nnoeabs.peaks (8.56, 7.55, 122.27 ppm; 5.32 A): 3 out of 4 assignments used, quality = 0.90: * H LYS 12 + H LEU 14 OK 87 100 - 87 - 6163/4.6=33, 6161=30...(14) H VAL 58 + H LEU 14 OK 13 57 - 23 - 4.0/6201=8, 4.0/6202=4...(6) H GLN 50 + H LEU 14 OK 12 81 - 14 - 6163/4.6=3, 4.3/6186=2...(5) H ASP 61 - H LEU 14 lone 3 77 - 4 - Peak 6186 from nnoeabs.peaks (3.85, 7.55, 122.27 ppm; 5.32 A): 6 out of 9 assignments used, quality = 0.92: * HA LYS 12 + H LEU 14 OK 71 100 - 71 - 3.6/6182=29, 2.9/6185=26...(13) HA LYS 40 + H LEU 14 OK 24 92 - 26 - 6206/4.6=4, 6164/4.6=4...(8) HA ALA 71 + H LEU 14 OK 22 94 - 24 - 10829=6, 6206/4.6=4...(6) HA2 GLY 101 + H LEU 14 OK 22 90 - 25 - 3.0/6204=9, 6206/4.6=5...(6) HA LYS 94 + H LEU 14 OK 22 90 - 24 - 8392/3.6=2, 6164/4.6=2...(11) HA ALA 67 + H LEU 14 OK 21 100 - 21 - 10829=3, 6206/4.6=2...(8) HB3 SER 49 - H LEU 14 OK 21 100 - 21 - 6206/4.6=3, 4.3/6185=3...(7) HA2 GLY 100 - H LEU 14 OK 16 90 - 18 - 3.6/6204=8, 6206/4.6=3...(4) HA LEU 38 - H LEU 14 OK 12 61 - 19 - 8392/3.6=5, 6164/4.6=3...(4) Peak 6187 from nnoeabs.peaks (8.07, 7.55, 122.27 ppm; 2.87 A): 5 out of 6 assignments used, quality = 0.90: H ILE 15 + H LEU 14 OK 58 100 - 58 - 4.6=24, 4.4/602=7...(14) * H LYS 13 + H LEU 14 OK 55 100 - 55 - 6182=26, 4.6/6185=5...(14) H GLU 75 + H LEU 14 OK 26 100 - 26 - 7245=6, 2.9/3380=3...(10) H GLU 17 + H LEU 14 OK 20 87 - 23 - 6245/3.0=6, 4.6/6204=5...(8) H LYS 39 + H LEU 14 OK 11 96 - 11 - 8947/4.8=1, 609/3.8=1 H SER 102 - H LEU 14 lone 4 73 - 5 - 4.6/6204=2 Peak 6188 from nnoeabs.peaks (4.15, 7.55, 122.27 ppm; 4.11 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 13 + H LEU 14 OK 100 100 - 100 - 3.6=100 HA GLN 72 - H LEU 14 OK 20 100 - 20 - 491=4, 6208/4.6=3...(9) HA LYS 47 - H LEU 14 OK 17 90 - 19 - 3.9/6192=3, 6173/4.6=3...(6) HA MET 1 - H LEU 14 OK 13 100 - 13 - 6208/4.6=2, ~593=2...(4) HA LYS 73 - H LEU 14 OK 11 70 - 16 - 3.6/9583=6, 4.1/6192=2...(4) HB2 SER 59 - H LEU 14 lone 10 99 - 10 - 9408/4.8=4, 6208/4.6=2 HA GLU 23 - H LEU 14 lone 7 96 - 8 - 6226/6204=2, 6208/4.6=1 Peak 6189 from nnoeabs.peaks (1.92, 7.55, 122.27 ppm; 2.99 A): 3 out of 10 assignments used, quality = 0.94: HB3 LYS 13 + H LEU 14 OK 61 100 - 61 - 4.6=27, 4.0/6182=10...(16) HB3 LEU 14 + H LEU 14 OK 61 81 - 75 - 3.8=47, 1.8/6198=13...(15) * HB2 LYS 13 + H LEU 14 OK 61 100 - 61 - 4.6=27, 4.0/6182=10...(15) HB3 LYS 47 - H LEU 14 lone 9 96 - 9 - 3.0/6192=2, 2147/3.6=2 HB3 LYS 33 - H LEU 14 lone 7 100 - 7 - 2.8/6192=2, 4.4/8769=1 HB2 LYS 33 - H LEU 14 lone 7 100 - 7 - 2.8/6192=2, 4.4/8769=1 HB2 LYS 94 - H LEU 14 lone 5 98 - 5 - HB2 GLU 43 - H LEU 14 lone 3 92 - 3 - HB3 ARG 19 - H LEU 14 lone 2 84 - 3 - HB3 LYS 20 - H LEU 14 lone 1 65 - 2 - Peak 6190 from nnoeabs.peaks (1.91, 7.55, 122.27 ppm; 2.99 A): 3 out of 11 assignments used, quality = 0.95: HB3 LEU 14 + H LEU 14 OK 66 87 - 76 - 3.8=47, 1.8/6198=13...(15) * HB3 LYS 13 + H LEU 14 OK 61 100 - 61 - 4.6=27, 4.0/6182=10...(17) HB2 LYS 13 + H LEU 14 OK 61 100 - 61 - 4.6=27, 4.0/6182=10...(16) HB ILE 8 - H LEU 14 OK 13 61 - 22 - 3.2/6202=3, 3.0/8419=2...(9) HB3 LYS 47 - H LEU 14 lone 8 92 - 9 - 3.0/6192=2, 2147/3.6=2 HB3 LYS 33 - H LEU 14 lone 7 100 - 7 - 2.8/6192=2, 4.4/8769=1 HG LEU 42 - H LEU 14 poor 7 65 - 11 - 2.1/6201=3, 586/3.0=1...(4) HB2 LYS 33 - H LEU 14 lone 7 100 - 7 - 2.8/6192=2, 4.4/8769=1 HB2 LYS 94 - H LEU 14 lone 4 96 - 5 - HB2 GLU 43 - H LEU 14 lone 4 96 - 4 - HB3 ARG 19 - H LEU 14 lone 2 77 - 3 - Peak 6191 from nnoeabs.peaks (1.43, 7.55, 122.27 ppm; 4.64 A): 3 out of 7 assignments used, quality = 0.96: * HG2 LYS 13 + H LEU 14 OK 83 100 - 83 - 4.8/6182=19, 518/3.6=18...(16) HG13 ILE 76 + H LEU 14 OK 54 98 - 55 - 1.8/3433=9, 2.1/3449=9...(14) HG12 ILE 7 + H LEU 14 OK 51 98 - 53 - 12015/4.8=12...(14) HG2 LYS 12 - H LEU 14 OK 39 77 - 51 - 4.7/6185=15, 3.7/6186=7...(11) HG3 LYS 39 - H LEU 14 OK 25 90 - 28 - 1713/4.6=5, 1.8/6200=4...(8) HG LEU 29 - H LEU 14 OK 12 99 - 12 - 6176/4.6=1, 3441=1 QB ALA 22 - H LEU 14 OK 11 99 - 11 - 10451/3.6=1, 6176/4.6=1 Peak 6192 from nnoeabs.peaks (1.50, 7.55, 122.27 ppm; 3.58 A): 6 out of 12 assignments used, quality = 0.77: * HG3 LYS 13 + H LEU 14 OK 55 100 - 55 - 4.8/6182=11, 3.0/516=10...(12) HG2 LYS 47 + H LEU 14 OK 17 98 - 17 - 486/3.6=3, 538=3...(7) HG3 LYS 33 + H LEU 14 OK 12 97 - 13 - 538=2, 4.9/8769=2...(8) HG3 LYS 24 + H LEU 14 OK 12 90 - 13 - 486/3.6=2, 6177/4.6=1...(6) HB3 LEU 64 + H LEU 14 OK 11 97 - 12 - 9477/4.8=4, 10758/4.9=2 HG2 LYS 73 + H LEU 14 OK 11 99 - 11 - 538=2, 486/3.6=1...(4) HG LEU 2 - H LEU 14 poor 7 65 - 11 - 3.0/6194=2, 2.1/10397=1 HG LEU 57 - H LEU 14 lone 7 99 - 7 - 2.1/10397=1, 10695/4.8=1 HG3 LYS 66 - H LEU 14 lone 5 99 - 5 - 6177/4.6=1 HG2 LYS 66 - H LEU 14 lone 5 98 - 5 - 6177/4.6=1 HG LEU 64 - H LEU 14 lone 4 70 - 6 - ~10244=2, ~10246=1 HB2 ARG 91 - H LEU 14 lone 3 90 - 4 - Peak 6193 from nnoeabs.peaks (1.70, 7.55, 122.27 ppm; 3.90 A): 5 out of 17 assignments used, quality = 0.96: * HD2 LYS 13 + H LEU 14 OK 59 100 - 59 - 3.0/6192=12, 3.6/516=10...(13) HD3 LYS 13 + H LEU 14 OK 59 100 - 59 - 3.0/6192=12, 3.6/516=10...(12) HG12 ILE 15 + H LEU 14 OK 41 97 - 42 - 4.6/6209=13, 2.1/8437=7...(12) HD2 LYS 12 + H LEU 14 OK 38 100 - 38 - 6.2/6185=7, 3.0/12269=5...(12) HD3 LYS 12 + H LEU 14 OK 38 100 - 38 - 6.2/6185=7, 3.0/12269=5...(12) HG2 PRO 86 - H LEU 14 OK 38 96 - 40 - 9887/3.0=6, 3.8/9853=6...(11) HB2 LEU 2 - H LEU 14 OK 24 100 - 24 - 12275/4.8=3, 56/3.8=3...(11) HD3 LYS 24 - H LEU 14 OK 19 99 - 19 - 3.0/6192=3, 488/3.6=2...(7) HD2 LYS 24 - H LEU 14 OK 19 99 - 19 - 3.0/6192=3, 488/3.6=2...(7) HG LEU 70 - H LEU 14 OK 18 100 - 18 - 9545/4.8=5, 6219/4.6=2...(6) HD3 LYS 90 - H LEU 14 OK 16 99 - 16 - 5.2/6197=2, ~3969=2...(6) HB3 LEU 70 - H LEU 14 OK 11 77 - 14 - 9544/4.8=5, 8430/3.8=2...(5) HD3 LYS 66 - H LEU 14 lone 9 100 - 9 - 2.9/6192=1, 2.9/6192=1 HD3 LYS 47 - H LEU 14 poor 8 61 - 13 - 3.0/6192=4, 5.1/6188=2...(5) HB3 LYS 40 - H LEU 14 lone 5 70 - 7 - 3.0/6186=2 HB3 ARG 91 - H LEU 14 lone 3 65 - 4 - HB3 LYS 53 - H LEU 14 lone 1 77 - 2 - Peak 6194 from nnoeabs.peaks (1.70, 7.55, 122.27 ppm; 3.90 A): 5 out of 15 assignments used, quality = 0.96: HD2 LYS 13 + H LEU 14 OK 59 100 - 59 - 3.0/6192=12, 3.6/516=10...(12) * HD3 LYS 13 + H LEU 14 OK 59 100 - 59 - 3.0/6192=12, 3.6/516=10...(12) HG12 ILE 15 + H LEU 14 OK 39 94 - 42 - 4.6/6209=13, 2.1/8437=7...(12) HD2 LYS 12 + H LEU 14 OK 38 100 - 38 - 6.2/6185=7, 3.0/12269=5...(12) HD3 LYS 12 + H LEU 14 OK 38 100 - 38 - 6.2/6185=7, 3.0/12269=5...(12) HG2 PRO 86 - H LEU 14 OK 36 92 - 39 - 3.8/9853=6, 9887/3.0=6...(11) HB2 LEU 2 - H LEU 14 OK 24 100 - 24 - 12275/4.8=3, 56/3.8=3...(11) HD3 LYS 24 - H LEU 14 OK 19 98 - 19 - 3.0/6192=3, 488/3.6=2...(7) HD2 LYS 24 - H LEU 14 OK 19 97 - 19 - 3.0/6192=3, 488/3.6=2...(7) HG LEU 70 - H LEU 14 OK 17 99 - 18 - 9545/4.8=5, 6219/4.6=2...(6) HD3 LYS 90 - H LEU 14 OK 16 98 - 16 - 5.2/6197=2, ~3969=2...(6) HB3 LEU 70 - H LEU 14 OK 13 84 - 16 - 9544/4.8=5, 8430/3.8=2...(5) HD3 LYS 66 - H LEU 14 lone 9 100 - 9 - 2.9/6192=1, 2.9/6192=1 HB3 LYS 40 - H LEU 14 lone 4 61 - 7 - 3.0/6186=2 HB3 LYS 53 - H LEU 14 lone 1 70 - 1 - Peak 6195 from nnoeabs.peaks (2.96, 7.55, 122.27 ppm; 4.39 A): 8 out of 11 assignments used, quality = 0.93: * HE2 LYS 13 + H LEU 14 OK 50 100 - 51 - 3.8/6192=12, 3.8/527=11...(8) HE3 LYS 13 + H LEU 14 OK 50 100 - 50 - 3.8/6192=12, 3.8/527=11...(8) HE3 LYS 12 + H LEU 14 OK 35 99 - 35 - 1.8/12269=8, 7.3/6185=7...(10) HB3 PHE 45 + H LEU 14 OK 17 97 - 18 - 4.5/6204=6, 1.8/12269=5...(4) HE2 LYS 24 + H LEU 14 OK 16 100 - 16 - 3.7/6192=3, 489/3.6=2...(7) HE3 LYS 24 + H LEU 14 OK 16 100 - 16 - 3.7/6192=3, 489/3.6=2...(7) HE3 LYS 47 + H LEU 14 OK 12 81 - 15 - 3.8/6192=4, 2213/3.6=2...(7) HE2 LYS 47 + H LEU 14 OK 12 81 - 15 - 3.8/6192=4, 2213/3.6=2...(7) HE2 LYS 73 - H LEU 14 lone 7 94 - 8 - 4.0/6192=2 HE3 LYS 73 - H LEU 14 lone 6 81 - 7 - 4.0/6192=2 HB2 ASN 51 - H LEU 14 lone 4 81 - 4 - 9131/3.6=1 Peak 6196 from nnoeabs.peaks (2.96, 7.55, 122.27 ppm; 4.39 A): 8 out of 12 assignments used, quality = 0.92: HE2 LYS 13 + H LEU 14 OK 50 100 - 50 - 3.8/6192=12, 3.8/527=11...(8) * HE3 LYS 13 + H LEU 14 OK 50 100 - 50 - 3.8/6192=12, 3.8/527=11...(8) HE3 LYS 12 + H LEU 14 OK 34 97 - 35 - 1.8/12269=8, 7.3/6185=7...(10) HB3 PHE 45 + H LEU 14 OK 16 94 - 17 - 4.5/6204=6, 1.8/12269=5...(4) HE3 LYS 24 + H LEU 14 OK 16 99 - 16 - 3.7/6192=3, 489/3.6=2...(7) HE2 LYS 24 + H LEU 14 OK 16 99 - 16 - 3.7/6192=3, 489/3.6=2...(7) HE3 LYS 47 + H LEU 14 OK 10 73 - 14 - 3.8/6192=4, 489/3.6=2...(5) HE2 LYS 47 + H LEU 14 OK 10 73 - 14 - 3.8/6192=4, 489/3.6=2...(5) HE2 LYS 73 - H LEU 14 lone 8 97 - 8 - 4.0/6192=2 HE3 LYS 73 - H LEU 14 lone 7 87 - 8 - 4.0/6192=2, 3316/3.6=1 HB2 ASN 51 - H LEU 14 lone 4 87 - 5 - 9131/3.6=1 HG2 MET 21 - H LEU 14 lone 3 65 - 4 - 3.4/8538=1 Peak 6197 from nnoeabs.peaks (3.68, 7.55, 122.27 ppm; 3.57 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 14 + H LEU 14 OK 100 100 - 100 - 3.0=100 HB THR 80 - H LEU 14 OK 37 100 - 37 - 603/3.8=7, 619/4.8=6...(10) HA LYS 90 - H LEU 14 OK 21 84 - 25 - 603/3.8=3, 619/4.8=2...(9) Peak 6198 from nnoeabs.peaks (1.52, 7.55, 122.27 ppm; 3.26 A): 5 out of 11 assignments used, quality = 0.95: * HB2 LEU 14 + H LEU 14 OK 86 100 - 86 - 3.8=61, 1.8/602=20...(17) HB ILE 7 + H LEU 14 OK 33 100 - 33 - 594=7, 595/3.0=4...(10) HG12 ILE 56 + H LEU 14 OK 27 94 - 29 - 1.8/6202=4, 2.1/6202=4...(11) HG LEU 6 + H LEU 14 OK 16 100 - 16 - 2.1/6201=3, 585/3.0=2...(8) HG LEU 2 + H LEU 14 OK 14 97 - 14 - 585/3.0=2, 604/3.8=2...(7) HG3 LYS 24 - H LEU 14 lone 8 81 - 10 - 3.7/6195=1, 3.7/6195=1 HG3 ARG 30 - H LEU 14 lone 6 96 - 6 - HG3 LYS 33 - H LEU 14 lone 5 65 - 7 - 4.9/8769=1 HB3 LEU 103 - H LEU 14 lone 3 100 - 3 - HG2 ARG 79 - H LEU 14 lone 3 87 - 3 - HG3 ARG 79 - H LEU 14 lone 3 84 - 3 - Peak 6199 from nnoeabs.peaks (1.90, 7.55, 122.27 ppm; 2.94 A): 3 out of 11 assignments used, quality = 0.93: * HB3 LEU 14 + H LEU 14 OK 74 100 - 74 - 3.8=45, 1.8/6198=12...(15) HB3 LYS 13 + H LEU 14 OK 51 87 - 59 - 4.6=25, 4.0/6182=9...(18) HB2 LYS 13 + H LEU 14 OK 47 81 - 59 - 4.6=25, 4.0/6182=9...(17) HB ILE 8 - H LEU 14 OK 23 97 - 24 - 586/3.0=3, 3.2/6202=3...(9) HG LEU 42 - H LEU 14 OK 12 98 - 12 - 2.1/6201=3, 586/3.0=2...(7) HB3 LYS 33 - H LEU 14 lone 6 84 - 7 - 2.8/6192=2, 4.4/8769=1 HB2 ARG 19 - H LEU 14 lone 6 92 - 6 - HB2 LYS 33 - H LEU 14 lone 5 77 - 7 - 2.8/6192=2, 4.4/8769=1 HB2 GLU 43 - H LEU 14 lone 4 99 - 4 - HB VAL 54 - H LEU 14 lone 4 70 - 5 - HB2 LYS 20 - H LEU 14 lone 3 84 - 3 - Peak 6200 from nnoeabs.peaks (1.35, 7.55, 122.27 ppm; 4.15 A): 2 out of 13 assignments used, quality = 0.96: * HG LEU 14 + H LEU 14 OK 94 100 - 94 - 4.9=61, 3.0/602=23...(18) HG12 ILE 8 + H LEU 14 OK 33 84 - 40 - 2.1/6202=6, 4.1/8419=5...(12) HG2 LYS 39 - H LEU 14 OK 26 99 - 27 - 10570/4.8=5, 1702/4.6=3...(9) QB ALA 89 - H LEU 14 OK 25 90 - 28 - 9937=10, 10787/3.0=3...(9) HB2 LYS 82 - H LEU 14 OK 15 97 - 15 - 9757/4.8=3, 9757/4.8=3...(6) HG3 LYS 68 - H LEU 14 OK 15 100 - 14 - ~10788=2, 10570/4.8=2...(5) HB3 LEU 2 - H LEU 14 OK 14 70 - 20 - 3.0/6198=3, 1.8/6194=3...(11) HG2 LYS 94 - H LEU 14 OK 11 90 - 12 - 3.7/6186=2, 587/3.0=1 QB ALA 67 - H LEU 14 OK 10 84 - 12 - 2.1/6186=2, 9527/4.8=1 HB2 LEU 70 - H LEU 14 poor 9 61 - 15 - 9543/4.8=2, 606/3.8=2...(9) QB ALA 25 - H LEU 14 lone 9 90 - 10 - 587/3.0=2, 606/3.8=1, 622/4.8=1 HG3 LYS 40 - H LEU 14 lone 8 94 - 8 - 3.8/6186=2 HB3 LEU 27 - H LEU 14 lone 6 98 - 6 - Peak 6201 from nnoeabs.peaks (0.68, 7.55, 122.27 ppm; 3.97 A): 2 out of 5 assignments used, quality = 0.96: * QD1 LEU 14 + H LEU 14 OK 93 100 - 93 - 4.8=57, 3.1/602=21...(22) QG2 VAL 58 + H LEU 14 OK 38 100 - 39 - 588/3.0=7, 607/3.8=6...(9) QD1 LEU 42 - H LEU 14 OK 25 90 - 28 - 588/3.0=5, 607/3.8=4...(10) QD2 LEU 6 - H LEU 14 OK 25 94 - 26 - 588/3.0=4, 607/3.8=4...(8) QD1 ILE 52 - H LEU 14 lone 7 70 - 10 - Peak 6202 from nnoeabs.peaks (0.71, 7.55, 122.27 ppm; 3.78 A): 3 out of 8 assignments used, quality = 0.97: * QD2 LEU 14 + H LEU 14 OK 91 100 - 91 - 4.8=49, 3.1/602=19...(21) HG13 ILE 56 + H LEU 14 OK 40 98 - 41 - 1.8/6198=6, 589/3.0=5...(12) QD1 ILE 8 + H LEU 14 OK 40 100 - 40 - 589/3.0=5, 4.1/8419=4...(15) QD1 ILE 56 - H LEU 14 OK 39 100 - 39 - 589/3.0=5, 2.1/6198=5...(12) QG1 VAL 58 - H LEU 14 OK 27 87 - 31 - 2.1/6201=7, 10224/3.8=5...(10) QD1 ILE 52 - H LEU 14 lone 7 81 - 8 - QG2 VAL 78 - H LEU 14 lone 6 84 - 7 - QG1 VAL 5 - H LEU 14 lone 3 65 - 4 - Peak 6203 from nnoeabs.peaks (8.07, 7.55, 122.27 ppm; 2.87 A): 5 out of 6 assignments used, quality = 0.90: * H ILE 15 + H LEU 14 OK 58 100 - 58 - 4.6=24, 4.4/602=7...(14) H LYS 13 + H LEU 14 OK 55 100 - 55 - 6182=26, 4.6/6185=5...(14) H GLU 75 + H LEU 14 OK 26 100 - 26 - 7245=6, 2.9/3380=3...(10) H GLU 17 + H LEU 14 OK 21 90 - 23 - 6245/3.0=7, 4.6/6204=5...(9) H LYS 39 + H LEU 14 OK 11 94 - 11 - 8947/4.8=1, 609/3.8=1 H SER 102 - H LEU 14 lone 4 77 - 5 - 4.6/6204=2 Peak 6204 from nnoeabs.peaks (8.02, 7.55, 122.27 ppm; 4.00 A): 3 out of 3 assignments used, quality = 0.78: * H GLU 16 + H LEU 14 OK 63 100 - 63 - 6227=17, 6222/4.6=14...(14) H ARG 46 + H LEU 14 OK 25 97 - 26 - 6222/4.6=6, 6227=4...(8) H GLY 101 + H LEU 14 OK 22 97 - 23 - 10099/3.6=8, 6222/4.6=7...(5) Peak 6205 from nnoeabs.peaks (8.07, 8.07, 118.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 15 + H ILE 15 OK 100 100 - 100 Peak 6206 from nnoeabs.peaks (3.85, 8.07, 118.21 ppm; 3.76 A): 8 out of 9 assignments used, quality = 0.90: * HA LYS 12 + H ILE 15 OK 59 100 - 60 - 392/4.0=17, 391=13...(15) HA2 GLY 101 + H ILE 15 OK 26 90 - 29 - 3.0/6222=10, 644/4.0=3...(10) HA LYS 40 + H ILE 15 OK 21 92 - 23 - 2.9/6618=4, 3.6/6642=2...(10) HA ALA 71 + H ILE 15 OK 20 94 - 21 - 10121/4.0=3, 644/4.0=3...(9) HB3 SER 49 + H ILE 15 OK 18 100 - 18 - 10121/4.0=3, 644/4.0=3...(9) HA2 GLY 100 + H ILE 15 OK 15 90 - 17 - 3.6/6222=8, 644/4.0=1 HA LEU 38 + H ILE 15 OK 14 61 - 22 - 2.9/6591=3, 3.0/1633=3...(7) HA ALA 67 + H ILE 15 OK 13 100 - 13 - 10121/4.0=1, 644/4.0=1...(4) HA LYS 94 - H ILE 15 poor 10 90 - 11 - 6186/4.6=1, 8446/5.0=1 Peak 6207 from nnoeabs.peaks (8.07, 8.07, 118.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: H ILE 15 + H ILE 15 OK 100 100 - 100 Reference assignment not found: H LYS 13 - H ILE 15 Peak 6208 from nnoeabs.peaks (4.15, 8.07, 118.21 ppm; 4.03 A): 3 out of 7 assignments used, quality = 0.73: * HA LYS 13 + H ILE 15 OK 62 100 - 62 - 3.6/6209=19, 492/4.6=9...(17) HA GLN 72 + H ILE 15 OK 19 100 - 19 - 3.0/10827=4, 492/4.6=3...(6) HA MET 1 + H ILE 15 OK 11 100 - 11 - 8010/4.0=2, 6188/4.6=1 HB2 SER 59 - H ILE 15 lone 9 99 - 9 - 9408/4.9=4, 6226/4.6=2 HA LYS 73 - H ILE 15 poor 9 70 - 13 - 3.6/7231=4, 4.8/3333=2...(4) HA LYS 47 - H ILE 15 lone 9 90 - 10 - 6188/4.6=2, 6226/4.6=2 HA GLU 23 - H ILE 15 lone 8 96 - 9 - 6226/4.6=5 Peak 6209 from nnoeabs.peaks (7.55, 8.07, 118.21 ppm; 3.29 A): 2 out of 3 assignments used, quality = 0.84: * H LEU 14 + H ILE 15 OK 72 100 - 72 - 4.6=36, 602/4.4=10...(18) H ILE 76 + H ILE 15 OK 43 96 - 45 - 7247=11, 583/3.6=5...(15) H GLU 88 - H ILE 15 poor 7 61 - 11 - 583/3.6=2, 618/4.9=1, 626/4.9=1 Peak 6210 from nnoeabs.peaks (3.68, 8.07, 118.21 ppm; 3.77 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 14 + H ILE 15 OK 100 100 - 100 - 3.6=100 HB THR 80 - H ILE 15 OK 31 100 - 31 - 603/4.4=7, 619/4.9=6...(7) HA LYS 90 - H ILE 15 OK 23 84 - 27 - 3917/4.0=4, 603/4.4=3...(12) Peak 6211 from nnoeabs.peaks (1.52, 8.07, 118.21 ppm; 3.72 A): 2 out of 11 assignments used, quality = 0.95: * HB2 LEU 14 + H ILE 15 OK 89 100 - 89 - 4.4=62, 3.8/6209=15...(21) HB ILE 7 + H ILE 15 OK 55 100 - 55 - ~8261=10, 601=7...(17) HG12 ILE 56 - H ILE 15 OK 27 94 - 29 - 1.8/6215=5, 2.1/6215=5...(9) HG LEU 2 - H ILE 15 OK 23 97 - 24 - 2.1/6218=3, 3.0/6219=2...(12) HG LEU 6 - H ILE 15 OK 23 100 - 23 - 2.1/6214=5, 214/4.9=3...(8) HG3 LYS 33 - H ILE 15 OK 11 65 - 16 - 3.0/6217=3, 3.0/6217=3...(6) HG3 LYS 24 - H ILE 15 lone 8 81 - 9 - 585/3.6=1 HG3 ARG 30 - H ILE 15 lone 7 96 - 7 - 620/4.9=1, 604/4.4=1, 628/4.9=1 HB3 LEU 103 - H ILE 15 lone 5 100 - 5 - HG2 ARG 79 - H ILE 15 lone 3 87 - 4 - HG3 ARG 79 - H ILE 15 lone 3 84 - 4 - Peak 6212 from nnoeabs.peaks (1.90, 8.07, 118.21 ppm; 3.18 A): 6 out of 11 assignments used, quality = 0.94: * HB3 LEU 14 + H ILE 15 OK 75 100 - 75 - 4.4=39, 3.8/6209=11...(16) HB3 LYS 13 + H ILE 15 OK 37 87 - 43 - 3.0/6208=9, 4.6/6209=8...(16) HB2 LYS 13 + H ILE 15 OK 34 81 - 42 - 3.0/6208=9, 4.6/6209=8...(14) HG LEU 42 + H ILE 15 OK 20 98 - 21 - 2.1/6214=4, 2.1/6221=3...(7) HB ILE 8 + H ILE 15 OK 18 97 - 19 - 3.2/6215=3, 586/3.6=3...(7) HB2 ARG 19 + H ILE 15 OK 17 92 - 19 - 3.9/6279=4, 10439/8460=3...(6) HB3 LYS 33 - H ILE 15 poor 9 84 - 10 - 3.5/6217=2, 3.5/6217=2 HB2 LYS 33 - H ILE 15 lone 8 77 - 10 - 3.5/6217=2, 3.5/6217=2 HB2 LYS 20 - H ILE 15 lone 6 84 - 7 - 8475/4.6=1 HB2 GLU 43 - H ILE 15 lone 6 99 - 6 - HB VAL 54 - H ILE 15 lone 5 70 - 8 - 2.1/6221=2 Peak 6213 from nnoeabs.peaks (1.35, 8.07, 118.21 ppm; 4.26 A): 2 out of 13 assignments used, quality = 0.93: * HG LEU 14 + H ILE 15 OK 88 100 - 88 - 8409/3.0=20, ~8413=20...(20) HG2 LYS 39 + H ILE 15 OK 44 99 - 44 - 1702=6, 1.8/1713=5...(17) HG12 ILE 8 - H ILE 15 OK 26 84 - 31 - 2.1/6215=6, 587/3.6=4...(10) QB ALA 89 - H ILE 15 OK 24 90 - 26 - 9937/4.6=6, 10787/3.6=3...(10) HB2 LEU 70 - H ILE 15 OK 20 61 - 33 - 1.8/6217=6, 3.1/10812=5...(13) HB2 LYS 82 - H ILE 15 OK 20 97 - 21 - 8456/3.0=3, 9757/4.9=3...(8) HB3 LEU 2 - H ILE 15 OK 19 70 - 27 - 3.0/6211=3, 3.1/6218=3...(15) HG3 LYS 68 - H ILE 15 OK 17 100 - 17 - 10570/4.9=2, 587/3.6=2...(6) HG3 LYS 40 - H ILE 15 OK 15 94 - 16 - 3.8/6206=3, 4.9/6618=3...(4) QB ALA 67 - H ILE 15 OK 13 84 - 15 - 2.1/6206=3, 8456/3.0=2...(5) HB3 LEU 27 - H ILE 15 OK 12 98 - 12 - 1202/5.0=1, 8456/3.0=1 QB ALA 25 - H ILE 15 OK 11 90 - 12 - 587/3.6=1, 8621/4.6=1...(4) HG2 LYS 94 - H ILE 15 lone 9 90 - 9 - 3.7/6206=1, 587/3.6=1 Peak 6214 from nnoeabs.peaks (0.68, 8.07, 118.21 ppm; 3.88 A): 3 out of 5 assignments used, quality = 0.96: * QD1 LEU 14 + H ILE 15 OK 91 100 - 91 - 4.9=48, 2.1/6215=17...(20) QG2 VAL 58 + H ILE 15 OK 33 100 - 33 - 588/3.6=6, 607/4.4=5...(9) QD1 LEU 42 + H ILE 15 OK 31 90 - 35 - 12021/3.0=4, 588/3.6=4...(11) QD2 LEU 6 - H ILE 15 OK 26 94 - 28 - 588/3.6=4, 12021/3.0=4...(9) QD1 ILE 52 - H ILE 15 lone 7 70 - 10 - Peak 6215 from nnoeabs.peaks (0.71, 8.07, 118.21 ppm; 3.52 A): 5 out of 8 assignments used, quality = 0.94: * QD2 LEU 14 + H ILE 15 OK 83 100 - 83 - 4.9=36, 8413/3.0=23...(18) HG13 ILE 56 + H ILE 15 OK 26 98 - 26 - 589/3.6=4, 10678/4.4=4...(8) QD1 ILE 8 + H ILE 15 OK 25 100 - 25 - 589/3.6=4, 608/4.4=3...(8) QD1 ILE 56 + H ILE 15 OK 25 100 - 25 - 589/3.6=4, 608/4.4=3...(8) QG1 VAL 58 + H ILE 15 OK 20 87 - 23 - 2.1/6214=5, 10224/4.4=4...(8) QG2 VAL 78 - H ILE 15 lone 6 84 - 7 - 12020/3.0=1 QD1 ILE 52 - H ILE 15 lone 6 81 - 7 - QG1 VAL 5 - H ILE 15 lone 2 65 - 4 - Peak 6216 from nnoeabs.peaks (3.26, 8.07, 118.21 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + H ILE 15 OK 100 100 - 100 - 3.0=100 Peak 6217 from nnoeabs.peaks (1.73, 8.07, 118.21 ppm; 2.85 A): 5 out of 7 assignments used, quality = 0.82: * HB ILE 15 + H ILE 15 OK 68 100 - 68 - 4.0=37, 2.1/6218=9...(16) HB3 LEU 70 + H ILE 15 OK 16 81 - 20 - 636/3.0=2, 9544/4.9=2...(9) HD2 LYS 90 + H ILE 15 OK 16 92 - 17 - 636/3.0=2, 1.8/6219=2...(8) HD3 LYS 33 + H ILE 15 OK 11 99 - 11 - 636/3.0=2, ~8451=1, 655/4.0=1 HD2 LYS 33 + H ILE 15 OK 11 99 - 11 - 636/3.0=2, ~8451=1, 655/4.0=1 HD2 ARG 81 - H ILE 15 lone 7 99 - 7 - 636/3.0=2, 655/4.0=1, 671/4.6=1 HB2 GLU 28 - H ILE 15 lone 1 84 - 2 - Peak 6218 from nnoeabs.peaks (0.81, 8.07, 118.21 ppm; 3.22 A): 4 out of 10 assignments used, quality = 0.94: * QG2 ILE 15 + H ILE 15 OK 82 100 - 82 - 4.0=52, 2.1/6217=19...(14) QG2 ILE 7 + H ILE 15 OK 38 90 - 42 - ~8261=8, 2.1/6211=6...(15) QD2 LEU 70 + H ILE 15 OK 26 100 - 27 - 3.1/6217=3, 637/3.0=3...(11) QD1 LEU 70 + H ILE 15 OK 24 98 - 25 - 3.1/6217=3, 637/3.0=3...(11) QD1 ILE 76 - H ILE 15 OK 23 94 - 25 - 4.7/6209=5, 10878/3.6=4...(6) QD2 LEU 2 - H ILE 15 OK 19 100 - 19 - 2.1/6211=2, 637/3.0=2...(8) QD2 LEU 38 - H ILE 15 OK 12 84 - 15 - 3.1/1641=2, 3.1/1633=2...(7) QD2 LEU 57 - H ILE 15 lone 6 81 - 7 - QD2 LEU 103 - H ILE 15 lone 2 70 - 3 - QD1 LEU 57 - H ILE 15 lone 2 65 - 2 - Peak 6219 from nnoeabs.peaks (1.69, 8.07, 118.21 ppm; 2.96 A): 6 out of 20 assignments used, quality = 0.93: * HG12 ILE 15 + H ILE 15 OK 70 100 - 70 - 4.6=26, 2.9/6217=13...(13) HD2 LYS 13 + H ILE 15 OK 26 97 - 27 - 3.0/517=5, 5.5/6208=4...(10) HD3 LYS 13 + H ILE 15 OK 25 94 - 27 - 3.0/517=5, 5.5/6208=4...(10) HD3 LYS 12 + H ILE 15 OK 25 97 - 26 - 3.0/425=3, 5.2/6206=3...(13) HD2 LYS 12 + H ILE 15 OK 25 97 - 26 - 3.0/425=3, 5.2/6206=3...(13) HG LEU 70 + H ILE 15 OK 22 99 - 22 - 2.1/6218=3, 3.0/6217=3...(8) HD3 LYS 90 - H ILE 15 OK 20 100 - 20 - 1.8/6217=4, 662/3.0=3...(9) HB2 LEU 2 - H ILE 15 OK 16 96 - 17 - 3.1/6218=2, 3.0/6211=2...(8) HG2 PRO 86 - H ILE 15 OK 15 100 - 15 - 2.3/10953=3, 9887/3.6=3...(5) HB3 LYS 40 - H ILE 15 lone 9 92 - 9 - 3.0/6206=2, 4.1/6618=2 HD3 LYS 24 - H ILE 15 lone 7 100 - 7 - HD2 LYS 24 - H ILE 15 lone 7 100 - 7 - HD3 LYS 66 - H ILE 15 lone 4 96 - 4 - HD3 LYS 47 - H ILE 15 lone 4 87 - 5 - HD2 LYS 47 - H ILE 15 lone 4 84 - 4 - HB3 ARG 91 - H ILE 15 lone 2 90 - 2 - HG3 LYS 20 - H ILE 15 lone 2 61 - 3 - HD2 LYS 20 - H ILE 15 lone 2 73 - 2 - HB3 LYS 53 - H ILE 15 lone 1 96 - 1 - HD3 LYS 20 - H ILE 15 lone 1 61 - 2 - Peak 6220 from nnoeabs.peaks (0.75, 8.07, 118.21 ppm; 3.01 A): 3 out of 12 assignments used, quality = 0.93: * HG13 ILE 15 + H ILE 15 OK 72 100 - 72 - 4.6=27, 670/3.0=18...(14) QD1 ILE 15 + H ILE 15 OK 70 99 - 71 - 5.0=22, 678/3.0=19...(14) QD2 LEU 42 + H ILE 15 OK 13 87 - 15 - 2.1/6214=3, 2.1/6212=2...(6) QG1 VAL 54 - H ILE 15 lone 9 97 - 9 - 10209/4.4=1 QD1 LEU 6 - H ILE 15 poor 8 73 - 11 - 2.1/6214=3, 2.1/6211=2, ~12021=1 QD1 ILE 93 - H ILE 15 poor 8 77 - 10 - 10020/8460=4, 640/3.0=2 HG13 ILE 93 - H ILE 15 lone 6 90 - 7 - 10022/8460=2 QG2 ILE 93 - H ILE 15 lone 6 99 - 6 - HG3 ARG 81 - H ILE 15 lone 5 77 - 7 - 3.0/6217=1, 3616/4.0=1 QG1 VAL 78 - H ILE 15 lone 4 94 - 4 - QD1 LEU 27 - H ILE 15 lone 4 81 - 5 - QD1 LEU 64 - H ILE 15 lone 3 84 - 4 - 10244/3.6=1 Peak 6221 from nnoeabs.peaks (0.76, 8.07, 118.21 ppm; 3.01 A): 5 out of 12 assignments used, quality = 0.95: * QD1 ILE 15 + H ILE 15 OK 71 100 - 72 - 5.0=22, 678/3.0=19...(14) HG13 ILE 15 + H ILE 15 OK 71 99 - 72 - 4.6=27, 670/3.0=18...(13) QD2 LEU 42 + H ILE 15 OK 16 97 - 16 - 2.1/6214=3, 2.1/6212=2...(6) QD1 ILE 93 + H ILE 15 OK 12 92 - 13 - 10020/8460=6, 640/3.0=2 QD1 LEU 6 + H ILE 15 OK 11 90 - 12 - 2.1/6214=3, 2.1/6211=2, ~12021=1 QG1 VAL 54 - H ILE 15 lone 10 100 - 10 - 10209/4.4=1 QG2 ILE 93 - H ILE 15 lone 6 94 - 6 - 8482/8460=1 QD1 LEU 27 - H ILE 15 lone 5 94 - 5 - HG13 ILE 93 - H ILE 15 lone 4 73 - 6 - 10022/8460=1 QG1 VAL 78 - H ILE 15 lone 3 81 - 4 - QG2 ILE 52 - H ILE 15 lone 3 61 - 4 - QD1 LEU 64 - H ILE 15 lone 2 65 - 3 - Peak 6222 from nnoeabs.peaks (8.02, 8.07, 118.21 ppm; 2.54 A): 3 out of 3 assignments used, quality = 0.61: * H GLU 16 + H ILE 15 OK 42 100 - 42 - 4.6=16, 6231/4.0=5...(11) H GLY 101 + H ILE 15 OK 20 97 - 21 - 7634=6, 641/3.0=2...(9) H ARG 46 + H ILE 15 OK 17 97 - 17 - 6229=3, 641/3.0=2...(9) Peak 6223 from nnoeabs.peaks (8.06, 8.07, 118.21 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: H ILE 15 + H ILE 15 OK 90 90 - 100 Reference assignment not found: H GLU 17 - H ILE 15 Peak 6224 from nnoeabs.peaks (8.02, 8.02, 118.48 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * H GLU 16 + H GLU 16 OK 100 100 - 100 H ARG 46 - H ARG 46 OK 43 43 - 100 Peak 6225 from nnoeabs.peaks (3.85, 8.02, 118.48 ppm; 4.19 A): 8 out of 18 assignments used, quality = 0.82: * HA LYS 12 + H GLU 16 OK 42 100 - 42 - 392/4.5=18, 10121/4.4=8...(10) HA2 GLY 101 + H GLU 16 OK 25 90 - 28 - 3.6/7636=6, 1.8/4447=4...(8) HB3 SER 49 + H GLU 16 OK 17 100 - 17 - 10121/4.4=3, 644/4.5=3...(5) HA ALA 71 + H GLU 16 OK 16 94 - 17 - 10121/4.4=4, 644/4.5=3...(5) HA LYS 40 + H GLU 16 OK 13 92 - 14 - 6206/4.6=2, 644/4.5=2 HA2 GLY 101 + H ARG 46 OK 13 38 - 34 - 1.8/4447=7, 10173/4.9=5...(10) HA2 GLY 100 + H GLU 16 OK 12 90 - 13 - 1.8/4442=2, 6206/4.6=2...(6) HA LEU 38 + H GLU 16 OK 11 61 - 17 - 3.0/6237=3, 3.0/8473=2...(6) HA ALA 67 - H GLU 16 lone 8 100 - 8 - 10121/4.4=2, 6206/4.6=2 HA LYS 94 - H GLU 16 lone 8 90 - 9 - 6206/4.6=1, 644/4.5=1 HA2 GLY 100 - H ARG 46 poor 8 38 - 20 - 1.8/4442=6, 2.9/7627=3...(6) HB3 SER 49 - H ARG 46 poor 7 47 - 14 - 9068/4.0=3, 10173/4.9=2...(4) HA LYS 12 - H ARG 46 poor 6 48 - 13 - 392/652=3, 8381/684=1...(4) HA ALA 71 - H ARG 46 poor 5 41 - 13 - 3.0/6734=5, 3174/4.6=2 HA LYS 40 - H ARG 46 poor 5 39 - 13 - 10173/4.9=2, 12084/6.3=2 HA ALA 67 - H ARG 46 poor 5 48 - 10 - ~7085=3, ~2880=2 HA LYS 94 - H ARG 46 poor 4 38 - 11 - 4170/4.6=3, 3.0/6741=1 HA LEU 38 - H ARG 46 poor 3 23 - 14 - 10173/4.9=3, 10174/3.0=1 Peak 6226 from nnoeabs.peaks (4.15, 8.02, 118.48 ppm; 3.61 A): 7 out of 14 assignments used, quality = 0.86: * HA LYS 13 + H GLU 16 OK 51 100 - 51 - 492=21, 3.6/6204=12...(9) HA GLU 23 + H GLU 16 OK 39 96 - 42 - 695/4.0=7, 3.0/6238=6...(15) HA GLN 72 + H GLU 16 OK 24 100 - 24 - 492=7, 10427/4.6=4...(6) HA LYS 47 + H GLU 16 OK 13 90 - 14 - 2.9/6761=5, 3.0/8476=1...(4) HB2 SER 59 + H GLU 16 OK 12 99 - 12 - 2681/3.0=3, 695/4.0=2...(6) HA MET 1 + H GLU 16 OK 11 100 - 11 - 10427/4.6=3, 6208/4.6=1...(4) HA LYS 47 + H ARG 46 OK 10 38 - 28 - 2.9/6761=17, 2124/4.0=2...(5) HA LYS 13 - H ARG 46 poor 8 48 - 18 - 492=6, 3.6/6204=5...(4) HA LYS 73 - H GLU 16 lone 5 70 - 8 - 6208/4.6=1, 12297/4.4=1 HA MET 1 - H ARG 46 lone 3 47 - 6 - 7/4.0=2 HA GLN 72 - H ARG 46 lone 3 48 - 5 - 492=1 HA GLU 23 - H ARG 46 lone 2 42 - 4 - HB2 SER 59 - H ARG 46 lone 1 46 - 2 - HA LYS 73 - H ARG 46 lone 1 27 - 2 - Peak 6227 from nnoeabs.peaks (7.55, 8.02, 118.48 ppm; 4.48 A): 3 out of 6 assignments used, quality = 0.88: * H LEU 14 + H GLU 16 OK 74 100 - 74 - 6204=28, 4.6/6222=18...(14) H ILE 76 + H GLU 16 OK 42 96 - 44 - 6209/4.6=10, 8441/3.6=7...(16) H LEU 14 + H ARG 46 OK 17 48 - 35 - 6204=11, 4.6/6222=7...(10) H ILE 76 - H ARG 46 poor 9 42 - 21 - 4.7/9630=6, 9644/4.0=3...(5) H GLU 88 - H GLU 16 poor 9 61 - 14 - 8441/3.6=2, 8440/4.5=2...(5) H GLU 88 - H ARG 46 lone 1 23 - 5 - Peak 6228 from nnoeabs.peaks (3.68, 8.02, 118.48 ppm; 5.58 A): 5 out of 6 assignments used, quality = 0.89: * HA LEU 14 + H GLU 16 OK 72 100 - 72 - 3.0/6204=27, 3.6/6222=26...(10) HA LYS 90 + H GLU 16 OK 31 84 - 37 - 6245/4.6=10, 3917/4.5=7...(7) HB THR 80 + H GLU 16 OK 27 100 - 27 - 6245/4.6=8, 6210/4.6=8...(7) HA LEU 14 + H ARG 46 OK 15 48 - 32 - 3.0/6204=11, 3.6/6222=11...(7) HA LYS 90 + H ARG 46 OK 11 34 - 31 - 3921/4.6=5, 10979/4.6=4...(10) HB THR 80 - H ARG 46 lone 4 47 - 8 - 6197/6204=1, 6262/6264=1 Peak 6229 from nnoeabs.peaks (8.07, 8.02, 118.48 ppm; 2.82 A): 5 out of 12 assignments used, quality = 0.88: * H ILE 15 + H GLU 16 OK 55 100 - 55 - 6222=27, 4.0/6231=7...(16) H GLU 17 + H GLU 16 OK 52 90 - 58 - 6248=25, 6247/3.6=11...(12) H LYS 13 + H GLU 16 OK 28 100 - 28 - 2.9/492=7, 4.6/6204=5...(10) H ILE 15 + H ARG 46 OK 14 48 - 29 - 6222=11, 3.0/641=3...(9) H GLU 75 + H GLU 16 OK 12 100 - 12 - 4.6/6227=2 H SER 102 - H GLU 16 poor 10 77 - 13 - 7636=4, 3.6/6225=1, 3.6/4447=1 H LYS 39 - H GLU 16 lone 7 94 - 8 - H GLU 17 - H ARG 46 poor 6 38 - 15 - 6248=5, 3.6/685=2...(6) H LYS 13 - H ARG 46 lone 4 48 - 8 - 2.9/492=2, 4.6/6204=2 H SER 102 - H ARG 46 lone 2 31 - 8 - 7636=3, 3.6/4447=2, 3.6/4443=2 H GLU 75 - H ARG 46 lone 2 47 - 3 - H LYS 39 - H ARG 46 lone 1 41 - 3 - Peak 6230 from nnoeabs.peaks (3.26, 8.02, 118.48 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 15 + H GLU 16 OK 100 100 - 100 - 3.6=100 HA ILE 15 - H ARG 46 OK 23 48 - 49 - 641=11, 3.0/6222=9...(12) Peak 6231 from nnoeabs.peaks (1.73, 8.02, 118.48 ppm; 3.16 A): 4 out of 14 assignments used, quality = 0.77: * HB ILE 15 + H GLU 16 OK 65 100 - 65 - 4.5=36, 2.1/660=12...(12) HB ILE 15 + H ARG 46 OK 16 48 - 33 - 652=8, 2.1/660=6...(8) HD2 LYS 90 + H GLU 16 OK 13 92 - 14 - 636/3.6=3, 655/4.4=2...(6) HB3 LEU 70 + H GLU 16 OK 10 81 - 13 - 636/3.6=2, 655/4.4=2...(6) HD2 ARG 81 - H GLU 16 lone 8 99 - 8 - 636/3.6=2, 1.8/6240=2, 655/4.4=2 HD3 LYS 33 - H GLU 16 lone 6 99 - 6 - 636/3.6=2, 6217/4.6=1, 655/4.4=1 HD2 LYS 33 - H GLU 16 lone 6 99 - 6 - 636/3.6=2, 6217/4.6=1, 655/4.4=1 HD2 LYS 90 - H ARG 46 lone 3 39 - 8 - 3978/4.6=2, 1.8/668=1 HB3 LEU 70 - H ARG 46 lone 2 32 - 7 - 4.1/6734=2, 3149/4.6=2 HB2 GLU 28 - H GLU 16 lone 2 84 - 2 - HD2 LYS 33 - H ARG 46 lone 1 45 - 3 - HD3 LYS 33 - H ARG 46 lone 1 45 - 3 - HD2 ARG 81 - H ARG 46 lone 1 46 - 2 - HB2 GLU 28 - H ARG 46 lone 0 34 - 1 - Peak 6232 from nnoeabs.peaks (0.81, 8.02, 118.48 ppm; 3.43 A): 8 out of 20 assignments used, quality = 0.95: * QG2 ILE 15 + H GLU 16 OK 80 100 - 80 - 4.4=49, 2.1/6231=18...(13) QD1 ILE 76 + H GLU 16 OK 27 94 - 28 - 4.7/6227=3, 9630=3...(11) QG2 ILE 15 + H ARG 46 OK 19 48 - 40 - 660=9, 2.1/652=7...(12) QD1 ILE 76 + H ARG 46 OK 19 41 - 46 - 9639/3.0=10, 9630=6...(14) QG2 ILE 7 + H GLU 16 OK 18 90 - 20 - 637/3.6=4, 648/4.5=3...(7) QD2 LEU 70 + H GLU 16 OK 15 100 - 16 - 637/3.6=3, 648/4.5=2...(5) QD1 LEU 70 + H GLU 16 OK 15 98 - 15 - 637/3.6=3, 648/4.5=2...(5) QD2 LEU 2 + H GLU 16 OK 11 100 - 11 - 637/3.6=2, 648/4.5=2...(4) QD2 LEU 38 - H GLU 16 poor 9 84 - 11 - 3.1/6237=2, 10420/4.0=1 QD2 LEU 70 - H ARG 46 lone 4 47 - 9 - 3173/4.6=2 QD2 LEU 57 - H GLU 16 lone 4 81 - 5 - QG2 ILE 7 - H ARG 46 poor 4 38 - 10 - 9023/4.9=1, 8267/4.5=1 QD2 LEU 2 - H ARG 46 lone 4 48 - 8 - QD1 LEU 70 - H ARG 46 lone 3 44 - 7 - 3165/4.6=1 QD2 LEU 57 - H ARG 46 lone 3 32 - 9 - 2636/4.9=2, 9017/6.3=1...(5) QD2 LEU 38 - H ARG 46 lone 2 34 - 7 - 9021/4.9=1, 9023/4.9=1 QD1 LEU 57 - H ARG 46 lone 2 25 - 9 - 9023/4.9=2, 9021/4.9=2...(4) QD1 LEU 57 - H GLU 16 lone 2 65 - 3 - QD2 LEU 103 - H GLU 16 lone 1 70 - 2 - QD2 LEU 103 - H ARG 46 lone 0 27 - 1 - Peak 6233 from nnoeabs.peaks (1.69, 8.02, 118.48 ppm; 3.60 A): 12 out of 40 assignments used, quality = 0.94: * HG12 ILE 15 + H GLU 16 OK 62 100 - 62 - 2.9/6231=16, 3.2/660=13...(11) HD3 LYS 90 + H GLU 16 OK 22 100 - 22 - 662/3.6=4, 1.8/6231=4...(8) HD2 LYS 13 + H GLU 16 OK 18 97 - 19 - 5.5/492=6, 3.6/8475=2...(8) HG12 ILE 15 + H ARG 46 OK 18 48 - 37 - 2.9/652=7, 2.1/684=7...(9) HD3 LYS 13 + H GLU 16 OK 17 94 - 18 - 5.5/492=6, 3.6/8475=2...(8) HG3 LYS 20 + H GLU 16 OK 16 61 - 27 - 3.7/6236=4, 3.0/8475=3...(11) HG LEU 70 + H GLU 16 OK 16 99 - 17 - 3.0/6231=2, 638/3.6=2...(7) HD2 LYS 12 + H GLU 16 OK 16 97 - 17 - 5.2/6225=3, 662/3.6=2...(8) HD3 LYS 12 + H GLU 16 OK 16 97 - 17 - 5.2/6225=3, 662/3.6=2...(8) HD2 LYS 20 + H GLU 16 OK 13 73 - 18 - 3.5/8475=3, 2.8/8473=2...(5) HD3 LYS 20 + H GLU 16 OK 11 61 - 17 - 3.5/8475=3, 2.8/8473=2...(5) HB2 LEU 2 + H GLU 16 OK 11 96 - 11 - 57/4.4=2, 638/3.6=1...(6) HD3 LYS 66 - H ARG 46 poor 8 42 - 20 - 2942/3.0=6, ~2931=3...(7) HD3 LYS 47 - H GLU 16 lone 6 87 - 7 - 6.3/6761=2, 5.1/6226=1 HD2 LYS 24 - H GLU 16 lone 6 100 - 6 - HD3 LYS 24 - H GLU 16 lone 6 100 - 6 - HD3 LYS 90 - H ARG 46 poor 6 47 - 13 - 668=2, 3989/4.6=2...(4) HD2 LYS 47 - H GLU 16 lone 6 84 - 7 - 6.3/6761=2, 5.1/6226=1 HB3 ARG 91 - H GLU 16 lone 5 90 - 6 - ~10992=1, 3.0/1958=1 HB3 LYS 40 - H GLU 16 lone 5 92 - 6 - 3.0/6225=1 HG2 PRO 86 - H GLU 16 lone 5 100 - 5 - 6219/4.6=1 HB3 ARG 91 - H ARG 46 poor 5 38 - 14 - 3.0/1958=4, ~10174=2, 6774/4.6=1 HD3 LYS 47 - H ARG 46 poor 5 36 - 13 - 6.3/6761=5, ~12306=2, 3.9/8476=1 HD3 LYS 66 - H GLU 16 lone 4 96 - 4 - 10782/4.4=1 HD2 LYS 47 - H ARG 46 poor 4 34 - 13 - 6.3/6761=5, ~12306=2, 3.9/8476=1 HG LEU 70 - H ARG 46 lone 4 45 - 8 - 3157/4.6=2 HG2 PRO 86 - H ARG 46 lone 3 48 - 6 - HB2 LEU 2 - H ARG 46 lone 3 42 - 6 - HD2 LYS 13 - H ARG 46 lone 3 43 - 6 - 5.5/492=2 HD3 LYS 12 - H ARG 46 lone 3 43 - 6 - HD2 LYS 12 - H ARG 46 lone 3 43 - 6 - HB3 LYS 53 - H GLU 16 lone 3 96 - 3 - HD3 LYS 13 - H ARG 46 lone 2 41 - 6 - 5.5/492=2 HD2 LYS 24 - H ARG 46 lone 2 47 - 4 - HD3 LYS 24 - H ARG 46 lone 2 47 - 4 - HB3 LYS 53 - H ARG 46 lone 2 42 - 4 - 2406/4.9=1 HB3 LYS 40 - H ARG 46 lone 1 39 - 4 - HD2 LYS 20 - H ARG 46 lone 1 29 - 2 - HG3 LYS 20 - H ARG 46 lone 0 23 - 2 - HD3 LYS 20 - H ARG 46 lone 0 23 - 2 - Peak 6234 from nnoeabs.peaks (0.75, 8.02, 118.48 ppm; 3.80 A): 2 out of 24 assignments used, quality = 0.93: * HG13 ILE 15 + H GLU 16 OK 74 100 - 74 - 670/3.6=25, 2.9/6231=17...(12) QD1 ILE 15 + H GLU 16 OK 73 99 - 74 - 678/3.6=26, 3.2/6231=16...(13) HG13 ILE 15 - H ARG 46 OK 20 48 - 41 - 2.9/652=7, 2.1/684=7...(9) QD1 ILE 15 - H ARG 46 OK 19 45 - 41 - 684=8, 3.0/660=7...(9) QG1 VAL 54 - H GLU 16 OK 11 97 - 11 - ~10423=1, 640/3.6=1 QD2 LEU 42 - H GLU 16 poor 9 87 - 10 - 6221/4.6=2, 640/3.6=1 QD1 ILE 93 - H GLU 16 poor 9 77 - 11 - 640/3.6=2, 10020/8472=2...(6) HG3 ARG 81 - H GLU 16 poor 8 77 - 11 - 3.0/6231=2, 3616/4.5=2...(5) QD2 LEU 42 - H ARG 46 poor 7 36 - 20 - 8923/4.5=4, 8923/4.5=4...(6) QG2 ILE 93 - H GLU 16 lone 6 99 - 6 - QG1 VAL 54 - H ARG 46 poor 6 43 - 13 - 10656/4.5=5, 10656/4.5=3 QD1 LEU 6 - H GLU 16 lone 5 73 - 7 - 2.1/8474=1, 640/3.6=1 HG13 ILE 93 - H GLU 16 lone 4 90 - 4 - QD1 LEU 27 - H GLU 16 lone 4 81 - 5 - QG1 VAL 78 - H GLU 16 lone 3 94 - 3 - QG2 ILE 93 - H ARG 46 lone 3 46 - 6 - 4145/4.6=2 QD1 LEU 64 - H GLU 16 lone 2 84 - 3 - QD1 LEU 6 - H ARG 46 lone 2 29 - 7 - 8996/3.6=3, 8994/4.5=2 QD1 ILE 93 - H ARG 46 lone 2 31 - 6 - 4169/4.6=1 QG1 VAL 78 - H ARG 46 lone 1 41 - 3 - QD1 LEU 27 - H ARG 46 lone 1 32 - 4 - 1220/4.6=1 QD1 LEU 64 - H ARG 46 lone 1 34 - 3 - HG13 ILE 93 - H ARG 46 lone 1 38 - 2 - HG3 ARG 81 - H ARG 46 lone 1 31 - 2 - Peak 6235 from nnoeabs.peaks (0.76, 8.02, 118.48 ppm; 3.80 A): 2 out of 24 assignments used, quality = 0.93: * QD1 ILE 15 + H GLU 16 OK 75 100 - 75 - 678/3.6=26, 3.2/6231=16...(14) HG13 ILE 15 + H GLU 16 OK 73 99 - 73 - 670/3.6=24, 2.9/6231=17...(12) QD1 ILE 15 - H ARG 46 OK 20 48 - 42 - 684=9, 3.0/660=7...(9) HG13 ILE 15 - H ARG 46 OK 19 45 - 41 - 2.9/652=7, 2.1/684=7...(9) QD1 ILE 93 - H GLU 16 OK 12 92 - 13 - 10020/8472=2, 640/3.6=2...(6) QG1 VAL 54 - H GLU 16 OK 12 100 - 12 - ~10423=1, 640/3.6=1 QD2 LEU 42 - H GLU 16 OK 11 97 - 11 - 6221/4.6=2, 640/3.6=1 QD2 LEU 42 - H ARG 46 OK 10 43 - 23 - 8923/4.5=5, 8923/4.5=4...(7) QD1 LEU 6 - H GLU 16 lone 7 90 - 8 - 2.1/8474=1, 640/3.6=1 QG1 VAL 54 - H ARG 46 poor 7 47 - 14 - 10656/4.5=5, 10656/4.5=3 QG2 ILE 93 - H GLU 16 lone 6 94 - 7 - 8332/6264=1 QG2 ILE 52 - H GLU 16 lone 5 61 - 8 - 10425/5.1=1 QD1 LEU 27 - H GLU 16 lone 5 94 - 5 - QG2 ILE 52 - H ARG 46 poor 5 23 - 21 - 8996/3.6=4, 3.1/9151=4...(7) QD1 LEU 6 - H ARG 46 lone 4 38 - 10 - 8996/3.6=4, 8994/4.5=3 HG13 ILE 93 - H GLU 16 lone 3 73 - 4 - QD1 ILE 93 - H ARG 46 lone 3 39 - 8 - 4169/4.6=2, 8996/3.6=1 QG2 ILE 93 - H ARG 46 lone 2 41 - 6 - 4145/4.6=2 QG1 VAL 78 - H GLU 16 lone 2 81 - 3 - QD1 LEU 27 - H ARG 46 lone 2 41 - 5 - 1220/4.6=1, 8996/3.6=1 QD1 LEU 64 - H GLU 16 lone 1 65 - 2 - QG1 VAL 78 - H ARG 46 lone 1 32 - 3 - QD1 LEU 64 - H ARG 46 lone 1 25 - 3 - HG13 ILE 93 - H ARG 46 lone 1 29 - 2 - Peak 6236 from nnoeabs.peaks (4.04, 8.02, 118.48 ppm; 3.23 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 16 + H GLU 16 OK 100 100 - 100 - 3.0=100 HA GLU 17 + H GLU 16 OK 54 96 - 57 - 2.9/6248=20, 3.6/6264=12...(17) HA LYS 20 - H GLU 16 OK 32 97 - 33 - 685=5, 6249/4.6=3...(15) HA GLU 16 - H ARG 46 OK 11 48 - 23 - 685=5, 3.0/704=4...(7) HB3 SER 59 - H GLU 16 lone 9 96 - 9 - 1.8/6226=2, ~2681=1 HB2 SER 49 - H GLU 16 lone 8 84 - 9 - 1.8/6225=2, 8454/4.5=1 HA GLU 17 - H ARG 46 poor 4 42 - 10 - 2.9/6248=4, 3.6/6264=3 HB2 SER 49 - H ARG 46 lone 2 34 - 5 - 9062/4.0=1, 9062/4.0=1 HA LYS 20 - H ARG 46 lone 1 43 - 3 - HB3 SER 59 - H ARG 46 lone 0 42 - 1 - Peak 6237 from nnoeabs.peaks (2.08, 8.02, 118.48 ppm; 3.12 A): 5 out of 20 assignments used, quality = 0.88: * HB2 GLU 16 + H GLU 16 OK 75 100 - 76 - 4.0=47, 1.8/704=19...(12) HB2 GLU 23 + H GLU 16 OK 30 90 - 34 - 1019/3.0=7, 1.8/6238=7...(12) HB3 GLU 43 + H GLU 16 OK 12 90 - 13 - 4.4/6716=2, 3.0/1958=2...(4) HB3 LEU 38 + H GLU 16 OK 11 100 - 11 - 1641/4.6=1 HB3 GLU 35 + H GLU 16 OK 11 99 - 11 - 696=3, 697/3.0=1, 6250/4.6=1 HB2 GLU 16 - H ARG 46 poor 10 48 - 20 - 696=6, 1.8/704=5...(6) HB2 MET 74 - H GLU 16 lone 8 84 - 9 - 4.3/6229=1 HB3 GLU 43 - H ARG 46 poor 5 38 - 14 - 4.4/6716=5, 3.0/1958=4...(4) HB3 GLU 88 - H GLU 16 lone 5 100 - 5 - HB3 LEU 38 - H ARG 46 lone 3 47 - 6 - 10545/4.9=1 HB3 GLU 62 - H GLU 16 lone 2 84 - 3 - HB3 GLU 35 - H ARG 46 lone 2 45 - 5 - 3.0/1958=1, 696=1 HB2 MET 74 - H ARG 46 lone 1 34 - 4 - HB3 GLU 88 - H ARG 46 lone 1 47 - 3 - HG2 GLU 28 - H GLU 16 lone 1 87 - 1 - HG3 GLU 28 - H GLU 16 lone 1 87 - 1 - HB2 GLU 23 - H ARG 46 lone 1 38 - 3 - HB3 GLU 62 - H ARG 46 lone 0 34 - 1 - HG3 GLU 28 - H ARG 46 lone 0 36 - 0 - HG2 GLU 28 - H ARG 46 lone 0 36 - 0 - Peak 6238 from nnoeabs.peaks (2.17, 8.02, 118.48 ppm; 2.99 A): 2 out of 16 assignments used, quality = 0.78: * HB3 GLU 16 + H GLU 16 OK 71 100 - 71 - 4.0=42, 1.8/696=17...(11) HB3 GLU 23 + H GLU 16 OK 25 87 - 30 - 1027/3.0=6, 1.8/6237=5...(11) HB2 GLN 72 - H GLU 16 lone 10 100 - 10 - 3.0/492=3, 6251/4.6=2...(4) HB3 GLU 16 - H ARG 46 poor 9 48 - 19 - 704=5, 1.8/696=4...(7) HB3 GLU 95 - H GLU 16 lone 6 97 - 6 - 704=1, 688/3.0=1 HB3 GLN 50 - H GLU 16 lone 5 94 - 5 - HG2 GLU 75 - H GLU 16 lone 4 97 - 4 - HG3 GLU 75 - H GLU 16 lone 4 94 - 4 - HB2 GLN 72 - H ARG 46 lone 1 47 - 3 - HB3 GLN 50 - H ARG 46 lone 1 41 - 2 - HG2 GLU 75 - H ARG 46 lone 1 43 - 2 - HG3 GLU 75 - H ARG 46 lone 1 41 - 2 - HB3 GLU 23 - H ARG 46 lone 1 36 - 2 - HG2 GLU 104 - H GLU 16 lone 1 65 - 1 - HB3 GLU 95 - H ARG 46 lone 1 43 - 1 - HG2 GLU 104 - H ARG 46 lone 0 25 - 0 - Peak 6239 from nnoeabs.peaks (2.34, 8.02, 118.48 ppm; 3.51 A): 4 out of 10 assignments used, quality = 0.86: * HG2 GLU 16 + H GLU 16 OK 75 100 - 75 - 5.1=33, 1.8/6240=18...(10) HG2 GLU 48 + H GLU 16 OK 31 99 - 32 - 711=6, 3.0/6240=5...(9) HG2 GLU 16 + H ARG 46 OK 12 48 - 24 - 711=5, 1.8/718=4...(7) HG3 GLU 69 + H GLU 16 OK 10 100 - 10 - 711=3, 689/3.0=2...(5) HG3 GLU 43 - H GLU 16 poor 9 73 - 12 - 3.0/6237=2, 3.7/1958=2...(5) HG2 GLU 48 - H ARG 46 poor 7 45 - 16 - 10182/3.6=6, 9029/4.6=4...(4) HG3 GLU 44 - H GLU 16 lone 6 77 - 7 - 4.8/6716=3 HG3 GLU 69 - H ARG 46 lone 5 47 - 10 - 711=2, 6727/4.6=1...(4) HG3 GLU 44 - H ARG 46 poor 5 31 - 15 - 4.8/6716=6, 9029/4.6=4...(4) HG3 GLU 43 - H ARG 46 lone 2 29 - 8 - 3.7/1958=4, 1990/6716=1 Peak 6240 from nnoeabs.peaks (2.30, 8.02, 118.48 ppm; 3.45 A): 3 out of 12 assignments used, quality = 0.84: * HG3 GLU 16 + H GLU 16 OK 73 100 - 73 - 5.1=31, 3.0/704=17...(10) HB2 GLU 48 + H GLU 16 OK 28 100 - 28 - 3.0/6239=5, 690/3.0=5...(9) HG2 GLU 63 + H GLU 16 OK 16 100 - 16 - 718=5, 701/4.0=3...(6) HG3 GLU 16 - H ARG 46 poor 10 48 - 20 - 718=5, 3.0/704=4...(5) HD3 ARG 81 - H GLU 16 lone 8 92 - 8 - 1.8/6231=2, 3634/4.5=2 HB2 GLU 48 - H ARG 46 poor 8 48 - 16 - 10620/3.6=7, 9030/4.6=4...(4) HB2 TYR 4 - H GLU 16 lone 4 97 - 4 - HG2 GLU 63 - H ARG 46 lone 3 47 - 6 - 718=2 HB2 TYR 41 - H GLU 16 lone 1 73 - 2 - HD3 ARG 81 - H ARG 46 lone 1 39 - 3 - HB2 TYR 41 - H ARG 46 lone 1 29 - 3 - HB2 TYR 4 - H ARG 46 lone 0 43 - 1 - Peak 6241 from nnoeabs.peaks (8.06, 8.02, 118.48 ppm; 2.40 A): 4 out of 14 assignments used, quality = 0.77: * H GLU 17 + H GLU 16 OK 53 100 - 53 - 6248=27, 6247/3.6=9...(11) H ILE 15 + H GLU 16 OK 36 90 - 40 - 6222=18, 4.0/6231=4...(14) H LYS 13 + H GLU 16 OK 17 87 - 19 - 2.9/492=5, 4.6/6204=3...(6) H SER 102 + H GLU 16 OK 10 99 - 10 - 7636=4 H ILE 15 - H ARG 46 poor 7 38 - 19 - 6222=7, 3.0/641=2...(7) H GLU 75 - H GLU 16 lone 7 84 - 8 - 4.6/6227=1 H GLU 17 - H ARG 46 poor 6 48 - 12 - 6248=5, 3.6/685=1, 4.6/704=1 H SER 102 - H ARG 46 lone 3 46 - 6 - 7636=3, 3.6/4447=2, 3.6/4443=1 H LYS 39 - H GLU 16 lone 3 57 - 4 - H LYS 90 - H GLU 16 lone 3 70 - 4 - H LYS 13 - H ARG 46 lone 2 36 - 5 - 2.9/492=2, 4.6/6204=1 H GLU 75 - H ARG 46 lone 1 34 - 2 - H LYS 90 - H ARG 46 lone 0 27 - 2 - H LYS 39 - H ARG 46 lone 0 21 - 1 - Peak 6242 from nnoeabs.peaks (8.65, 8.02, 118.48 ppm; 4.74 A): 3 out of 8 assignments used, quality = 0.90: * H ALA 18 + H GLU 16 OK 87 100 - 87 - 6264=35, 6263/3.6=33...(13) H ALA 18 + H ARG 46 OK 13 48 - 27 - 6264=8, 4.6/6248=5...(9) H ASP 11 + H GLU 16 OK 12 65 - 19 - 642/3.6=5, 6259/4.6=3...(7) H ASN 10 - H GLU 16 lone 7 81 - 8 - 6259/4.6=2, 642/3.6=2 H LEU 55 - H GLU 16 lone 5 61 - 8 - 642/3.6=2, 4.1/6235=1 H ASP 11 - H ARG 46 lone 2 25 - 7 - 8439/684=2, 8435/676=1 H ASN 10 - H ARG 46 lone 1 32 - 4 - H LEU 55 - H ARG 46 lone 1 23 - 3 - Peak 6243 from nnoeabs.peaks (8.06, 8.06, 118.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 17 + H GLU 17 OK 100 100 - 100 Peak 6244 from nnoeabs.peaks (4.15, 8.06, 118.10 ppm; 4.07 A): 5 out of 7 assignments used, quality = 0.85: HA GLN 72 + H GLU 17 OK 40 100 - 40 - 3.0/6257=9, 3.0/6251=6...(11) HA MET 1 + H GLU 17 OK 38 100 - 39 - 3.0/6256=7, 4/4.0=6...(13) HA GLU 23 + H GLU 17 OK 33 96 - 35 - 695/4.6=7, 3.0/6250=6...(8) * HA LYS 13 + H GLU 17 OK 33 100 - 33 - 492/4.6=10, 695/4.6=4...(8) HB2 SER 59 + H GLU 17 OK 13 99 - 13 - 2681/3.6=3, 695/4.6=2...(5) HA LYS 73 - H GLU 17 poor 9 70 - 14 - 3.6/7231=2, ~9582=1...(5) HA LYS 47 - H GLU 17 lone 8 90 - 9 - 6226/4.6=2, 695/4.6=1 Peak 6245 from nnoeabs.peaks (3.68, 8.06, 118.10 ppm; 3.86 A): 3 out of 3 assignments used, quality = 0.77: * HA LEU 14 + H GLU 17 OK 57 100 - 57 - 593/4.0=12, 592/4.0=12...(14) HA LYS 90 + H GLU 17 OK 29 84 - 35 - 735/4.0=5, 8477/5.1=4...(13) HB THR 80 + H GLU 17 OK 23 100 - 23 - 6262/4.6=6, 735/4.0=4...(7) Peak 6246 from nnoeabs.peaks (8.07, 8.06, 118.10 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: H GLU 17 + H GLU 17 OK 90 90 - 100 Reference assignment not found: H ILE 15 - H GLU 17 Peak 6247 from nnoeabs.peaks (3.26, 8.06, 118.10 ppm; 3.63 A): 1 out of 1 assignment used, quality = 0.61: * HA ILE 15 + H GLU 17 OK 61 100 - 61 - 3.6/6248=20, 6263/4.6=15...(15) Peak 6248 from nnoeabs.peaks (8.02, 8.06, 118.10 ppm; 2.51 A): 3 out of 3 assignments used, quality = 0.64: * H GLU 16 + H GLU 17 OK 50 100 - 50 - 6241=18, 3.6/6247=11...(12) H GLY 101 + H GLU 17 OK 20 97 - 21 - 7634=12, 3.0/4450=2...(7) H ARG 46 + H GLU 17 OK 10 97 - 10 - 6241=2, 685/3.6=1...(6) Peak 6249 from nnoeabs.peaks (4.04, 8.06, 118.10 ppm; 3.27 A): 2 out of 5 assignments used, quality = 1.00: HA GLU 17 + H GLU 17 OK 96 96 - 100 - 2.9=100 * HA GLU 16 + H GLU 17 OK 91 100 - 91 - 3.6=77, 3.0/6248=20...(15) HA LYS 20 - H GLU 17 OK 45 97 - 46 - 691=5, ~732=5, 737/4.0=4...(22) HB2 SER 49 - H GLU 17 lone 7 84 - 9 - 737/4.0=1 HB3 SER 59 - H GLU 17 lone 7 96 - 7 - 1.8/10427=2 Peak 6250 from nnoeabs.peaks (2.08, 8.06, 118.10 ppm; 3.21 A): 3 out of 10 assignments used, quality = 0.80: * HB2 GLU 16 + H GLU 17 OK 70 100 - 70 - 4.6=35, 1.8/6251=14...(12) HB2 GLU 23 + H GLU 17 OK 23 90 - 26 - 1019/3.6=6, 1.8/6251=5...(8) HB3 GLU 35 + H GLU 17 OK 13 99 - 13 - 702=3, 1.8/6256=3...(5) HB2 MET 74 - H GLU 17 poor 9 84 - 11 - ~10863=1, 4.2/6256=1, 3.0/3333=1 HB3 GLU 62 - H GLU 17 lone 7 84 - 8 - 1.8/6256=2, 2.9/6257=1 HB3 GLU 88 - H GLU 17 lone 7 100 - 7 - HB3 LEU 38 - H GLU 17 lone 5 100 - 5 - HB3 GLU 43 - H GLU 17 lone 4 90 - 5 - HG3 GLU 28 - H GLU 17 lone 1 87 - 1 - HG2 GLU 28 - H GLU 17 lone 1 87 - 1 - Peak 6251 from nnoeabs.peaks (2.17, 8.06, 118.10 ppm; 3.55 A): 4 out of 8 assignments used, quality = 0.92: * HB3 GLU 16 + H GLU 17 OK 80 100 - 81 - 4.6=47, 1.8/6250=20...(11) HB2 GLN 72 + H GLU 17 OK 33 100 - 33 - 1.8/6257=10, 3.0/10427=5...(12) HB3 GLU 23 + H GLU 17 OK 28 87 - 33 - 1027/3.6=8, 1.8/6250=7...(8) HB3 GLN 50 + H GLU 17 OK 13 94 - 14 - 2.9/6258=2, 710=2...(6) HB3 GLU 95 - H GLU 17 lone 7 97 - 7 - 688/3.6=1, 710=1, 699/4.6=1 HG2 GLU 75 - H GLU 17 lone 6 97 - 6 - HG3 GLU 75 - H GLU 17 lone 6 94 - 6 - HG2 GLU 104 - H GLU 17 lone 1 65 - 1 - Peak 6252 from nnoeabs.peaks (2.34, 8.06, 118.10 ppm; 4.51 A): 3 out of 5 assignments used, quality = 0.92: * HG2 GLU 16 + H GLU 17 OK 80 100 - 80 - 1.8/6253=23, 3.0/6250=21...(15) HG2 GLU 48 + H GLU 17 OK 52 99 - 53 - 3.0/6253=10, 1.8/6258=8...(13) HG3 GLU 69 + H GLU 17 OK 14 100 - 13 - 717=3, 689/3.6=2...(5) HG3 GLU 44 - H GLU 17 poor 9 77 - 11 - 3.0/6256=2, 3.0/6256=2...(4) HG3 GLU 43 - H GLU 17 poor 8 73 - 10 - 689/3.6=2, 6239/4.6=2...(5) Peak 6253 from nnoeabs.peaks (2.30, 8.06, 118.10 ppm; 3.99 A): 3 out of 6 assignments used, quality = 0.86: * HG3 GLU 16 + H GLU 17 OK 72 100 - 72 - 3.0/6250=18, 724=17...(13) HB2 GLU 48 + H GLU 17 OK 41 100 - 42 - 3.0/6252=8, 1.8/12267=7...(12) HG2 GLU 63 + H GLU 17 OK 18 100 - 18 - 724=4, 701/4.6=3...(5) HD3 ARG 81 - H GLU 17 lone 4 92 - 5 - 6240/4.6=1 HB2 TYR 4 - H GLU 17 lone 4 97 - 4 - HB2 TYR 41 - H GLU 17 lone 2 73 - 2 - Peak 6254 from nnoeabs.peaks (4.05, 8.06, 118.10 ppm; 3.11 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 17 + H GLU 17 OK 100 100 - 100 - 2.9=100 HA GLU 16 + H GLU 17 OK 81 96 - 85 - 3.6=66, 3.0/6248=18...(15) HA LYS 20 - H GLU 17 OK 42 100 - 42 - 737/4.0=4, ~732=4, 691=4...(22) HB2 SER 49 - H GLU 17 lone 8 99 - 8 - HB3 SER 59 - H GLU 17 lone 5 73 - 6 - 1.8/10427=2 Peak 6255 from nnoeabs.peaks (1.94, 8.06, 118.10 ppm; 3.06 A): 4 out of 11 assignments used, quality = 0.89: * HB2 GLU 17 + H GLU 17 OK 72 100 - 72 - 4.0=44, 1.8/6256=15...(11) HB3 LYS 20 + H GLU 17 OK 27 97 - 28 - 870/2.9=5, 3.0/6254=4...(12) HB2 MET 1 + H GLU 17 OK 26 100 - 27 - 1.8/6256=6, 11/4.0=4...(10) HB3 ARG 19 + H GLU 17 OK 24 87 - 28 - 3.9/6260=9, 798/2.9=4...(8) HB3 LYS 73 - H GLU 17 lone 6 77 - 8 - 9582/2.9=1, ~9582=1 HB2 LYS 73 - H GLU 17 lone 6 73 - 8 - 9582/2.9=1, ~9582=1 HG3 GLU 88 - H GLU 17 lone 5 100 - 5 - 3.0/6250=1 HB VAL 32 - H GLU 17 lone 3 100 - 3 - HB3 ARG 46 - H GLU 17 lone 3 65 - 5 - 4.0/6248=2 HB2 LYS 94 - H GLU 17 lone 3 61 - 4 - HB3 LYS 47 - H GLU 17 lone 2 70 - 3 - Peak 6256 from nnoeabs.peaks (2.01, 8.06, 118.10 ppm; 3.11 A): 4 out of 9 assignments used, quality = 0.86: * HB3 GLU 17 + H GLU 17 OK 74 100 - 74 - 4.0=46, 1.8/6255=14...(11) HB3 MET 1 + H GLU 17 OK 30 99 - 31 - 1.8/6255=5, 739/4.0=4...(13) QE MET 74 + H GLU 17 OK 12 99 - 12 - 10282/3.6=2, ~10863=1...(4) HB2 GLU 35 + H GLU 17 OK 12 100 - 12 - 1.8/6250=3, 728/2.9=1, 744=1 HB3 GLU 44 - H GLU 17 lone 9 98 - 9 - 728/2.9=1, 739/4.0=1 HB2 GLU 44 - H GLU 17 lone 9 98 - 9 - 728/2.9=1, 739/4.0=1 HB2 GLU 62 - H GLU 17 lone 8 94 - 9 - 1.8/6250=2, 2.9/6257=1...(4) HB2 GLN 50 - H GLU 17 lone 6 70 - 9 - 1.8/6251=2, 2.9/6258=2 HB3 LYS 94 - H GLU 17 lone 4 73 - 5 - Peak 6257 from nnoeabs.peaks (2.24, 8.06, 118.10 ppm; 3.55 A): 2 out of 5 assignments used, quality = 0.82: * HG2 GLU 17 + H GLU 17 OK 74 100 - 74 - 5.1=34, 1.8/6258=15...(10) HB3 GLN 72 + H GLU 17 OK 34 94 - 36 - 1.8/6251=7, 729/2.9=5...(11) HG3 GLU 62 - H GLU 17 lone 6 61 - 10 - 2.9/6256=2, 2.9/6250=2...(4) HG2 GLU 62 - H GLU 17 lone 6 61 - 10 - 2.9/6256=2, 2.9/6250=2...(4) HG2 GLU 37 - H GLU 17 lone 2 81 - 3 - Peak 6258 from nnoeabs.peaks (2.43, 8.06, 118.10 ppm; 3.28 A): 6 out of 7 assignments used, quality = 0.91: * HG3 GLU 17 + H GLU 17 OK 68 100 - 68 - 5.1=26, 1.8/6257=19...(10) HG3 GLU 48 + H GLU 17 OK 32 100 - 32 - 1.8/6252=6, 3.0/6253=6...(11) HG2 GLN 72 + H GLU 17 OK 27 99 - 28 - 3.0/6257=6, 3.0/6251=4...(9) HG3 MET 1 + H GLU 17 OK 25 90 - 29 - 3.0/6256=5, 3.0/6255=4...(11) HG3 GLN 50 + H GLU 17 OK 12 100 - 12 - 2.9/6251=2, 730/2.9=1...(5) HB2 ASP 11 + H GLU 17 OK 11 100 - 11 - 4.0/6259=2, 8376=1...(4) HG3 GLU 99 - H GLU 17 lone 8 94 - 9 - 3.0/12267=1, 3.0/12267=1, 758=1 Peak 6259 from nnoeabs.peaks (8.65, 8.06, 118.10 ppm; 3.11 A): 1 out of 4 assignments used, quality = 0.67: * H ALA 18 + H GLU 17 OK 67 100 - 67 - 4.6=31, 742/4.0=9...(14) H ASP 11 - H GLU 17 poor 9 65 - 13 - 742/4.0=1, 731/2.9=1...(7) H ASN 10 - H GLU 17 lone 6 81 - 8 - 731/2.9=2, 742/4.0=1 H LEU 55 - H GLU 17 lone 2 61 - 4 - Peak 6260 from nnoeabs.peaks (8.90, 8.06, 118.10 ppm; 4.34 A): 2 out of 3 assignments used, quality = 0.78: * H ARG 19 + H GLU 17 OK 73 100 - 73 - 6281/4.6=23, 6279=21...(12) H ASP 77 + H GLU 17 OK 19 90 - 21 - 10416/4.6=4, 692/3.6=3...(7) H VAL 5 - H GLU 17 lone 4 65 - 7 - 6274/4.6=2 Peak 6261 from nnoeabs.peaks (8.65, 8.65, 122.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 18 + H ALA 18 OK 100 100 - 100 Peak 6262 from nnoeabs.peaks (3.68, 8.65, 122.44 ppm; 4.78 A): 3 out of 3 assignments used, quality = 0.95: * HA LEU 14 + H ALA 18 OK 74 100 - 74 - 8395=21, 593/4.6=16...(12) HB THR 80 + H ALA 18 OK 68 100 - 68 - 10916/2.9=38, ~9727=28...(11) HA LYS 90 + H ALA 18 OK 34 84 - 40 - 6245/4.6=8, 735/4.6=7...(13) Peak 6263 from nnoeabs.peaks (3.26, 8.65, 122.44 ppm; 4.23 A): 1 out of 1 assignment used, quality = 0.92: * HA ILE 15 + H ALA 18 OK 92 100 - 92 - 772/2.9=38, 642=36...(18) Peak 6264 from nnoeabs.peaks (8.02, 8.65, 122.44 ppm; 3.91 A): 3 out of 3 assignments used, quality = 0.79: * H GLU 16 + H ALA 18 OK 71 100 - 72 - 3.6/6263=23, 6242=19...(12) H ARG 46 + H ALA 18 OK 17 97 - 17 - 6248/4.6=3, 6242=3...(6) H GLY 101 + H ALA 18 OK 14 97 - 14 - 6248/4.6=6, 641/6263=2...(4) Peak 6265 from nnoeabs.peaks (4.04, 8.65, 122.44 ppm; 4.04 A): 3 out of 5 assignments used, quality = 0.99: HA GLU 17 + H ALA 18 OK 96 96 - 100 - 3.6=100 HA LYS 20 + H ALA 18 OK 64 97 - 67 - 2.9/6296=18, ~6297=14...(17) * HA GLU 16 + H ALA 18 OK 62 100 - 62 - 3.6/6259=26, 3.0/6264=22...(11) HB2 SER 49 - H ALA 18 lone 8 84 - 10 - 737/4.6=1, 8491/2.9=1, 745/4.6=1 HB3 SER 59 - H ALA 18 lone 5 96 - 5 - 6278/4.7=1 Peak 6266 from nnoeabs.peaks (8.06, 8.65, 122.44 ppm; 3.29 A): 4 out of 7 assignments used, quality = 0.92: * H GLU 17 + H ALA 18 OK 75 100 - 75 - 6259=40, 4.0/742=10...(14) H ILE 15 + H ALA 18 OK 58 90 - 64 - 3.0/6263=18, 8460/2.9=14...(15) H LYS 90 + H ALA 18 OK 15 70 - 22 - 3.6/9940=10, 8497/2.9=4...(6) H LYS 13 + H ALA 18 OK 11 87 - 13 - 8494/2.9=2, 634/6263=1 H SER 102 - H ALA 18 lone 9 99 - 9 - 4.6/6264=2, 7636/6264=1 H GLU 75 - H ALA 18 lone 6 84 - 7 - H LYS 39 - H ALA 18 lone 3 57 - 5 - Peak 6267 from nnoeabs.peaks (4.05, 8.65, 122.44 ppm; 3.89 A): 3 out of 5 assignments used, quality = 1.00: * HA GLU 17 + H ALA 18 OK 100 100 - 100 - 3.6=100 HA LYS 20 + H ALA 18 OK 65 100 - 65 - 2.9/6296=17, ~6297=13...(16) HA GLU 16 + H ALA 18 OK 57 96 - 59 - 3.6/6259=25, 3.0/6264=20...(11) HB2 SER 49 - H ALA 18 OK 10 99 - 10 - 737/4.6=1, 8491/2.9=1...(4) HB3 SER 59 - H ALA 18 lone 3 73 - 4 - Peak 6268 from nnoeabs.peaks (1.94, 8.65, 122.44 ppm; 3.61 A): 3 out of 11 assignments used, quality = 0.94: * HB2 GLU 17 + H ALA 18 OK 78 100 - 78 - 4.6=47, 1.8/6269=20...(11) HB3 ARG 19 + H ALA 18 OK 52 87 - 60 - 3.9/6281=20, ~10439=11...(10) HB3 LYS 20 + H ALA 18 OK 40 97 - 42 - 4.0/6296=11, 3.0/6267=7...(11) HB2 MET 1 - H ALA 18 OK 22 100 - 22 - 1.8/6269=5, 11/4.6=4...(7) HB VAL 32 - H ALA 18 lone 6 100 - 6 - 8485/2.9=1 HB2 LYS 94 - H ALA 18 lone 5 61 - 8 - 1.8/6269=1, 2.9/8334=1 HG3 GLU 88 - H ALA 18 lone 5 100 - 4 - HB3 ARG 46 - H ALA 18 lone 4 65 - 7 - 4.0/6264=3 HB3 LYS 73 - H ALA 18 lone 3 77 - 4 - 9582/3.6=1 HB2 LYS 73 - H ALA 18 lone 3 73 - 4 - 9582/3.6=1 HB3 LYS 47 - H ALA 18 lone 2 70 - 3 - Peak 6269 from nnoeabs.peaks (2.01, 8.65, 122.44 ppm; 3.60 A): 2 out of 9 assignments used, quality = 0.82: * HB3 GLU 17 + H ALA 18 OK 77 100 - 77 - 4.6=47, 1.8/742=20...(9) HB3 MET 1 + H ALA 18 OK 21 99 - 21 - 739/4.6=5, 728/3.6=4...(6) QE MET 74 - H ALA 18 lone 7 99 - 7 - 6256/4.6=1, 728/3.6=1 HB3 GLU 44 - H ALA 18 lone 7 98 - 7 - 728/3.6=1, 739/4.6=1...(5) HB2 GLU 44 - H ALA 18 lone 7 98 - 7 - 728/3.6=1, 739/4.6=1...(5) HB2 GLU 35 - H ALA 18 lone 7 100 - 7 - 728/3.6=1, 6256/4.6=1, 750=1 HB3 LYS 94 - H ALA 18 lone 5 73 - 7 - 2.9/8334=1 HB2 GLU 62 - H ALA 18 lone 5 94 - 5 - 728/3.6=1 HB2 GLN 50 - H ALA 18 lone 5 70 - 7 - 2.9/6271=2, 728/3.6=1 Peak 6270 from nnoeabs.peaks (2.24, 8.65, 122.44 ppm; 5.61 A): 2 out of 5 assignments used, quality = 0.94: * HG2 GLU 17 + H ALA 18 OK 90 100 - 90 - 757=36, 3.0/742=34...(11) HB3 GLN 72 + H ALA 18 OK 37 94 - 40 - 6257/4.6=11, 740/4.6=10...(6) HG3 GLU 62 - H ALA 18 poor 8 61 - 12 - 729/3.6=2, 740/4.6=2...(5) HG2 GLU 62 - H ALA 18 poor 8 61 - 12 - 729/3.6=2, 740/4.6=2...(5) HG2 GLU 37 - H ALA 18 lone 4 81 - 5 - Peak 6271 from nnoeabs.peaks (2.43, 8.65, 122.44 ppm; 4.28 A): 7 out of 7 assignments used, quality = 0.91: * HG3 GLU 17 + H ALA 18 OK 73 100 - 73 - 3.0/742=23, 1.8/757=21...(8) HG3 MET 1 + H ALA 18 OK 24 90 - 28 - 3.0/6269=5, 741/4.6=5...(7) HG2 GLN 72 + H ALA 18 OK 21 99 - 21 - 3.0/6270=5, 741/4.6=4...(6) HG3 GLU 48 + H ALA 18 OK 20 100 - 20 - 6258/4.6=5, 730/3.6=4...(5) HB2 ASP 11 + H ALA 18 OK 15 100 - 15 - 8376/4.6=2, 370=2...(8) HG3 GLN 50 + H ALA 18 OK 13 100 - 13 - 730/3.6=2, 741/4.6=2...(6) HG3 GLU 99 + H ALA 18 OK 11 94 - 11 - 4.7/6275=2, 764=2...(4) Peak 6272 from nnoeabs.peaks (3.77, 8.65, 122.44 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 18 + H ALA 18 OK 100 100 - 100 - 2.9=100 Peak 6273 from nnoeabs.peaks (1.23, 8.65, 122.44 ppm; 2.85 A): 1 out of 2 assignments used, quality = 0.97: * QB ALA 18 + H ALA 18 OK 97 100 - 97 - 2.9=95, 3.6/6281=13...(13) QG2 THR 84 - H ALA 18 lone 4 77 - 5 - 767/2.9=1 Peak 6274 from nnoeabs.peaks (8.90, 8.65, 122.44 ppm; 3.35 A): 2 out of 3 assignments used, quality = 0.84: * H ARG 19 + H ALA 18 OK 82 100 - 82 - 6281=41, 6282/2.9=27...(13) H ASP 77 + H ALA 18 OK 12 90 - 14 - 776/2.9=3, 6260/4.6=2...(4) H VAL 5 - H ALA 18 lone 6 65 - 10 - 776/2.9=2, 768/2.9=2 Peak 6275 from nnoeabs.peaks (7.79, 8.65, 122.44 ppm; 4.41 A): 4 out of 6 assignments used, quality = 0.92: * H LYS 20 + H ALA 18 OK 86 100 - 86 - 6297/2.9=35, 6296=30...(12) H GLU 28 + H ALA 18 OK 20 98 - 20 - 8495/2.9=4, 8498/2.9=4...(6) H GLU 99 + H ALA 18 OK 15 100 - 15 - 8495/2.9=3, 8498/2.9=3...(5) H LYS 66 + H ALA 18 OK 15 92 - 16 - 6291/4.7=3, 8495/2.9=3...(4) H SER 9 - H ALA 18 poor 9 61 - 15 - 4.0/338=2, 4.0/343=2...(9) HE ARG 30 - H ALA 18 lone 8 100 - 8 - 8495/2.9=2, 6291/4.7=2...(4) Peak 6276 from nnoeabs.peaks (8.90, 8.90, 118.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 19 + H ARG 19 OK 100 100 - 100 Peak 6277 from nnoeabs.peaks (3.26, 8.90, 118.56 ppm; 4.54 A): 1 out of 1 assignment used, quality = 0.87: * HA ILE 15 + H ARG 19 OK 87 100 - 87 - 772/3.6=37, 8434=29...(13) Peak 6278 from nnoeabs.peaks (4.04, 8.90, 118.56 ppm; 3.58 A): 3 out of 5 assignments used, quality = 0.95: HA LYS 20 + H ARG 19 OK 71 97 - 73 - 2.9/6298=23, 3.6/6320=12...(19) HA GLU 17 + H ARG 19 OK 63 96 - 66 - 3.6/6281=21, 2.9/6260=16...(16) * HA GLU 16 + H ARG 19 OK 52 100 - 52 - 3.6/6260=14, 692=11...(15) HB3 SER 59 - H ARG 19 lone 9 96 - 9 - 788/3.9=1, 798/3.9=1, ~10791=1 HB2 SER 49 - H ARG 19 lone 7 84 - 9 - Peak 6279 from nnoeabs.peaks (8.06, 8.90, 118.56 ppm; 4.23 A): 4 out of 7 assignments used, quality = 0.93: * H GLU 17 + H ARG 19 OK 77 100 - 77 - 6260=35, 4.6/6281=21...(12) H ILE 15 + H ARG 19 OK 59 90 - 66 - 3.0/6277=28, 8460/3.6=20...(8) H SER 102 + H ARG 19 OK 13 99 - 13 - 7641/3.0=2, 4.0/6284=1...(6) H LYS 13 + H ARG 19 OK 12 87 - 14 - 8494/3.6=3, 634/6277=2...(4) H LYS 90 - H ARG 19 poor 9 70 - 13 - 8497/3.6=6, 6266/4.7=2 H GLU 75 - H ARG 19 lone 8 84 - 10 - 4.6/7259=5, 8494/3.6=1 H LYS 39 - H ARG 19 lone 3 57 - 6 - 8494/3.6=1 Peak 6280 from nnoeabs.peaks (4.05, 8.90, 118.56 ppm; 3.59 A): 3 out of 5 assignments used, quality = 0.95: HA LYS 20 + H ARG 19 OK 73 100 - 74 - 2.9/6298=23, 3.6/6320=12...(19) * HA GLU 17 + H ARG 19 OK 67 100 - 67 - 3.6/6281=21, 2.9/6260=16...(14) HA GLU 16 + H ARG 19 OK 49 96 - 51 - 3.6/6260=14, 692=11...(15) HB2 SER 49 - H ARG 19 lone 10 99 - 10 - 9065/3432=1, 6295/4.6=1 HB3 SER 59 - H ARG 19 lone 6 73 - 8 - 788/3.9=1, ~10791=1, 798/3.9=1 Peak 6281 from nnoeabs.peaks (8.65, 8.90, 118.56 ppm; 3.18 A): 1 out of 4 assignments used, quality = 0.77: * H ALA 18 + H ARG 19 OK 77 100 - 77 - 6274=35, 2.9/6282=24...(12) H LEU 55 - H ARG 19 poor 8 61 - 13 - 4.1/8505=3, 4.6/8499=2...(6) H ASN 10 - H ARG 19 lone 6 81 - 8 - 765/3.6=1, 773/3.6=1 H ASP 11 - H ARG 19 lone 4 65 - 5 - 773/3.6=1 Peak 6282 from nnoeabs.peaks (3.77, 8.90, 118.56 ppm; 3.27 A): 1 out of 1 assignment used, quality = 0.92: * HA ALA 18 + H ARG 19 OK 92 100 - 92 - 3.6=77, 2.1/6283=31...(11) Peak 6283 from nnoeabs.peaks (1.23, 8.90, 118.56 ppm; 3.08 A): 1 out of 2 assignments used, quality = 0.89: * QB ALA 18 + H ARG 19 OK 89 100 - 89 - 3.6=64, 2.1/6282=29...(17) QG2 THR 84 - H ARG 19 poor 8 77 - 11 - 4.3/6292=2, 8526/4.6=2...(4) Peak 6284 from nnoeabs.peaks (3.81, 8.90, 118.56 ppm; 3.18 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 19 + H ARG 19 OK 100 100 - 100 - 3.0=100 HA LYS 68 - H ARG 19 OK 31 99 - 31 - 777=7, 790/3.9=3...(14) HA SER 97 - H ARG 19 OK 20 97 - 20 - 10070/4.9=4, 790/3.9=3...(7) HA ALA 22 - H ARG 19 OK 17 70 - 24 - ~786=4, ~1007=3, ~6342=2...(13) HB3 SER 102 - H ARG 19 lone 8 100 - 7 - 4.0/6279=1 Peak 6285 from nnoeabs.peaks (1.89, 8.90, 118.56 ppm; 2.89 A): 4 out of 7 assignments used, quality = 0.91: * HB2 ARG 19 + H ARG 19 OK 78 100 - 78 - 3.9=42, 1.8/799=16...(17) HB2 LYS 20 + H ARG 19 OK 44 100 - 45 - 4.0/6298=10, 1.8/6286=8...(12) HB VAL 54 + H ARG 19 OK 20 97 - 21 - 2.1/8505=4, 779/3.0=2...(8) HB ILE 8 + H ARG 19 OK 14 100 - 14 - 2.1/8504=2, 779/3.0=2...(5) HB3 LEU 14 - H ARG 19 lone 8 92 - 9 - 4.4/6279=3 HG LEU 42 - H ARG 19 lone 4 99 - 4 - HB2 GLU 43 - H ARG 19 lone 1 81 - 2 - Peak 6286 from nnoeabs.peaks (1.93, 8.90, 118.56 ppm; 2.99 A): 3 out of 12 assignments used, quality = 0.93: * HB3 ARG 19 + H ARG 19 OK 80 100 - 81 - 3.9=46, 1.8/789=17...(18) HB3 LYS 20 + H ARG 19 OK 48 99 - 49 - 4.0/6298=11, 1.8/6285=9...(13) HB2 GLU 17 + H ARG 19 OK 29 87 - 34 - 4.6/6281=10, 4.0/6260=8...(9) HB2 LYS 94 - H ARG 19 lone 7 97 - 7 - 780/3.0=1 HB2 MET 1 - H ARG 19 lone 6 87 - 7 - 4.6/8499=2 HB VAL 32 - H ARG 19 lone 5 90 - 5 - HG3 GLU 88 - H ARG 19 lone 4 81 - 4 - 9914/10915=1 HB2 LYS 13 - H ARG 19 lone 3 84 - 4 - HB3 LYS 47 - H ARG 19 lone 3 99 - 3 - HB3 LYS 13 - H ARG 19 lone 3 77 - 3 - HB2 LYS 33 - H ARG 19 lone 1 87 - 1 - HB3 LYS 33 - H ARG 19 lone 1 81 - 1 - Peak 6287 from nnoeabs.peaks (1.58, 8.90, 118.56 ppm; 4.06 A): 2 out of 14 assignments used, quality = 0.98: * HG2 ARG 19 + H ARG 19 OK 95 100 - 95 - 4.9=56, 1.8/6288=25...(22) HB3 LEU 29 + H ARG 19 OK 63 90 - 71 - 3.1/8693=16, 3.1/8691=16...(20) HG LEU 27 - H ARG 19 OK 13 84 - 16 - ~8640=2, 6302/4.6=2...(7) HD2 LYS 66 - H ARG 19 OK 12 73 - 16 - 3.6/6288=4, 2932/4.9=2...(6) HD3 LYS 94 - H ARG 19 OK 11 84 - 14 - 803/3.9=2, 793/3.9=2...(6) HG3 LYS 90 - H ARG 19 OK 10 100 - 10 - 8488/3.6=1 HG3 LYS 12 - H ARG 19 lone 9 94 - 9 - 1.8/8506=1 HD3 LYS 82 - H ARG 19 poor 8 61 - 13 - 3.5/6288=4, 821/4.9=2...(6) HB2 LEU 103 - H ARG 19 lone 8 100 - 8 - HB2 ARG 30 - H ARG 19 lone 6 65 - 10 - 4.7/8499=3, 5.0/6291=1 HG LEU 103 - H ARG 19 lone 6 100 - 6 - HB2 ARG 79 - H ARG 19 lone 6 77 - 8 - 4.1/8499=4 HG2 LYS 24 - H ARG 19 lone 4 100 - 4 - HG3 LYS 73 - H ARG 19 lone 3 84 - 4 - Peak 6288 from nnoeabs.peaks (1.76, 8.90, 118.56 ppm; 3.53 A): 4 out of 6 assignments used, quality = 0.92: * HG3 ARG 19 + H ARG 19 OK 85 100 - 85 - 4.9=37, 3.0/789=19...(18) HB2 LYS 66 + H ARG 19 OK 21 98 - 21 - 804/3.9=3, 794/3.9=3...(6) HB3 LYS 82 + H ARG 19 OK 17 99 - 18 - 794/3.9=3, 804/3.9=3...(5) HB ILE 56 + H ARG 19 OK 16 100 - 16 - 794/3.9=3, 804/3.9=3...(7) HB2 GLU 28 - H ARG 19 poor 7 65 - 10 - 4.0/6291=3, 4.6/8695=2 HB3 GLU 63 - H ARG 19 lone 3 65 - 4 - Peak 6289 from nnoeabs.peaks (3.18, 8.90, 118.56 ppm; 4.30 A): 2 out of 5 assignments used, quality = 0.99: HD3 ARG 19 + H ARG 19 OK 91 100 - 91 - 6.3=32, 3.6/789=23...(21) * HD2 ARG 19 + H ARG 19 OK 91 100 - 91 - 6.3=32, 3.6/789=23...(21) HD3 ARG 46 - H ARG 19 lone 7 70 - 10 - 10120/10415=1 HB2 HIS 106 - H ARG 19 lone 6 96 - 6 - HB3 TRP 92 - H ARG 19 lone 2 61 - 4 - 10120/10415=1 Peak 6290 from nnoeabs.peaks (3.18, 8.90, 118.56 ppm; 4.30 A): 2 out of 5 assignments used, quality = 0.99: * HD3 ARG 19 + H ARG 19 OK 91 100 - 91 - 6.3=32, 3.6/789=23...(21) HD2 ARG 19 + H ARG 19 OK 91 100 - 91 - 6.3=32, 3.6/789=23...(21) HD3 ARG 46 - H ARG 19 lone 7 70 - 10 - 10120/10415=1 HB2 HIS 106 - H ARG 19 lone 6 96 - 6 - HB3 TRP 92 - H ARG 19 lone 2 61 - 4 - 10120/10415=1 Peak 6291 from nnoeabs.peaks (7.79, 8.90, 118.56 ppm; 3.18 A): 4 out of 6 assignments used, quality = 0.88: * H LYS 20 + H ARG 19 OK 79 100 - 79 - 6298=35, 6297/3.6=16...(18) H GLU 28 + H ARG 19 OK 17 98 - 18 - 797/3.9=2, 807/3.9=2...(9) H LYS 66 + H ARG 19 OK 15 92 - 17 - 4.0/6288=2, 797/3.9=2...(9) H GLU 99 + H ARG 19 OK 14 100 - 14 - 7601/3.0=3, 807/3.9=2...(8) HE ARG 30 - H ARG 19 lone 8 100 - 8 - 807/3.9=1, 797/3.9=1 H SER 9 - H ARG 19 poor 7 61 - 12 - 4.1/8504=2, 4.4/6285=1 Peak 6292 from nnoeabs.peaks (7.68, 8.90, 118.56 ppm; 4.54 A): 3 out of 3 assignments used, quality = 0.92: * H MET 21 + H ARG 19 OK 88 100 - 88 - 6319/3.6=34, 6320=32...(15) H SER 85 + H ARG 19 OK 27 99 - 27 - 769/3.6=6, 6315/4.6=6...(7) HD22 ASN 51 + H ARG 19 OK 15 100 - 15 - 6315/4.6=4, 769/3.6=4 Peak 6293 from nnoeabs.peaks (7.79, 7.79, 118.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 20 + H LYS 20 OK 100 100 - 100 Peak 6294 from nnoeabs.peaks (4.04, 7.79, 118.64 ppm; 3.16 A): 2 out of 5 assignments used, quality = 0.99: HA LYS 20 + H LYS 20 OK 97 97 - 100 - 2.9=100 HA GLU 17 + H LYS 20 OK 56 96 - 59 - 732=20, 3.6/6296=9...(20) ! HA GLU 16 - H LYS 20 OK 32 100 - 32 - 844=5, 692/4.6=4...(13) HB2 SER 49 - H LYS 20 poor 9 84 - 11 - 860/4.0=1, 894/4.9=1, 872/4.0=1 HB3 SER 59 - H LYS 20 lone 7 96 - 7 - Peak 6295 from nnoeabs.peaks (4.05, 7.79, 118.64 ppm; 2.99 A): 2 out of 5 assignments used, quality = 1.00: HA LYS 20 + H LYS 20 OK 100 100 - 100 - 2.9=100 * HA GLU 17 + H LYS 20 OK 55 100 - 55 - 732=18, 3.6/6296=8...(19) HA GLU 16 - H LYS 20 OK 27 96 - 28 - 844=4, 692/4.6=3...(11) HB2 SER 49 - H LYS 20 OK 10 99 - 10 - 858/4.0=1, 894/4.9=1, 870/4.0=1 HB3 SER 59 - H LYS 20 lone 5 73 - 6 - Peak 6296 from nnoeabs.peaks (8.65, 7.79, 118.64 ppm; 4.75 A): 2 out of 4 assignments used, quality = 0.90: * H ALA 18 + H LYS 20 OK 89 100 - 89 - 2.9/6297=39, 6275=28...(14) H LEU 55 + H LYS 20 OK 14 61 - 23 - 4.1/8528=8, 4.5/6300=3...(7) H ASN 10 - H LYS 20 poor 9 81 - 11 - 6281/4.6=2, 765/6297=1 H ASP 11 - H LYS 20 lone 6 65 - 9 - 8439/8436=1, 6281/4.6=1 Peak 6297 from nnoeabs.peaks (3.77, 7.79, 118.64 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.77: * HA ALA 18 + H LYS 20 OK 77 100 - 77 - 3.6/6298=24, 6319/4.5=22...(15) Peak 6298 from nnoeabs.peaks (8.90, 7.79, 118.64 ppm; 3.26 A): 2 out of 3 assignments used, quality = 0.84: * H ARG 19 + H LYS 20 OK 81 100 - 81 - 4.6=35, 3.6/6297=17...(18) H ASP 77 + H LYS 20 OK 17 90 - 19 - 799/4.1=3, 789/4.1=3...(7) H VAL 5 - H LYS 20 poor 9 65 - 13 - 4.0/8168=2, 777/3.6=1...(6) Peak 6299 from nnoeabs.peaks (3.81, 7.79, 118.64 ppm; 3.94 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 19 + H LYS 20 OK 100 100 - 100 - 3.6=100 HA LYS 68 - H LYS 20 OK 39 99 - 39 - 785=5, 790/4.1=4...(16) HA SER 97 - H LYS 20 OK 30 97 - 31 - 10070/4.9=6, 790/4.1=4...(9) HA ALA 22 - H LYS 20 OK 28 70 - 41 - 3.0/6316=19, 11086/2.9=6...(9) HB3 SER 102 - H LYS 20 lone 10 100 - 9 - 6321/4.5=1, 790/4.1=1...(5) Peak 6300 from nnoeabs.peaks (1.89, 7.79, 118.64 ppm; 2.95 A): 2 out of 7 assignments used, quality = 0.93: * HB2 ARG 19 + H LYS 20 OK 75 100 - 75 - 4.1=37, 1.8/6301=12...(20) HB2 LYS 20 + H LYS 20 OK 73 100 - 73 - 4.0=39, 1.8/871=15...(20) HB VAL 54 - H LYS 20 OK 19 97 - 19 - 2.1/8528=3, 779/3.6=2...(9) HB ILE 8 - H LYS 20 OK 17 100 - 18 - 846/2.9=2, 801/4.1=2...(9) HG LEU 42 - H LYS 20 lone 7 99 - 7 - HB3 LEU 14 - H LYS 20 lone 6 92 - 6 - 3.1/10412=1 HB2 GLU 43 - H LYS 20 lone 2 81 - 2 - Peak 6301 from nnoeabs.peaks (1.93, 7.79, 118.64 ppm; 2.85 A): 3 out of 12 assignments used, quality = 0.93: * HB3 ARG 19 + H LYS 20 OK 70 100 - 70 - 4.1=33, 1.8/6300=12...(19) HB3 LYS 20 + H LYS 20 OK 68 99 - 69 - 4.0=35, 1.8/6300=12...(20) HB2 GLU 17 + H LYS 20 OK 29 87 - 33 - 2.9/732=10, 4.6/6296=6...(15) HB2 LYS 94 - H LYS 20 lone 10 97 - 10 - HB3 LYS 47 - H LYS 20 lone 6 99 - 6 - HB VAL 32 - H LYS 20 lone 5 90 - 6 - HB2 MET 1 - H LYS 20 lone 5 87 - 6 - HG3 GLU 88 - H LYS 20 lone 3 81 - 4 - HB2 LYS 13 - H LYS 20 lone 1 84 - 1 - HB2 LYS 33 - H LYS 20 lone 1 87 - 1 - HB3 LYS 13 - H LYS 20 lone 1 77 - 1 - HB3 LYS 33 - H LYS 20 lone 1 81 - 1 - Peak 6302 from nnoeabs.peaks (1.58, 7.79, 118.64 ppm; 4.63 A): 2 out of 14 assignments used, quality = 0.99: * HG2 ARG 19 + H LYS 20 OK 98 100 - 98 - 4.9=84, 4.9/6298=22...(24) HB3 LEU 29 + H LYS 20 OK 46 90 - 51 - 3.1/8528=12, 3.1/8528=9...(9) HG LEU 27 - H LYS 20 OK 29 84 - 34 - 3.0/1195=6, 2.1/8527=6...(12) HD2 LYS 66 - H LYS 20 OK 26 73 - 35 - 3.6/6303=7, 1.8/2941=4...(13) HD3 LYS 94 - H LYS 20 OK 24 84 - 29 - 3.0/6314=3, 3.0/6314=3...(15) HD3 LYS 82 - H LYS 20 OK 10 61 - 16 - 3.5/6303=4, 821/4.9=2...(6) HG3 LYS 90 - H LYS 20 lone 9 100 - 9 - 10441/4.5=1, 793/4.1=1...(4) HG3 LYS 12 - H LYS 20 lone 9 94 - 10 - HG3 LYS 73 - H LYS 20 lone 9 84 - 10 - HB2 LEU 103 - H LYS 20 lone 8 100 - 8 - 793/4.1=1, 803/4.1=1 HG LEU 103 - H LYS 20 lone 7 100 - 7 - HG2 LYS 24 - H LYS 20 lone 6 100 - 6 - HB2 ARG 30 - H LYS 20 lone 5 65 - 8 - 3.6/10506=1, 3.6/10507=1 HB2 ARG 79 - H LYS 20 lone 4 77 - 5 - Peak 6303 from nnoeabs.peaks (1.76, 7.79, 118.64 ppm; 4.22 A): 2 out of 6 assignments used, quality = 0.96: * HG3 ARG 19 + H LYS 20 OK 94 100 - 94 - 4.9=64, 4.9/6298=18...(21) HB2 LYS 66 + H LYS 20 OK 40 98 - 41 - 2885=7, 1.8/2897=5...(15) HB3 LYS 82 - H LYS 20 OK 21 99 - 22 - 794/4.1=4, 804/4.1=4...(6) HB ILE 56 - H LYS 20 OK 17 100 - 17 - 794/4.1=4, 804/4.1=4...(5) HB2 GLU 28 - H LYS 20 OK 13 65 - 20 - 1.8/1242=4, 4.6/6461=3...(7) HB3 GLU 63 - H LYS 20 lone 6 65 - 10 - 3.0/2769=2 Peak 6304 from nnoeabs.peaks (3.18, 7.79, 118.64 ppm; 5.00 A): 2 out of 5 assignments used, quality = 0.98: HD3 ARG 19 + H LYS 20 OK 85 100 - 85 - 3.0/6303=19, 3.6/807=18...(17) * HD2 ARG 19 + H LYS 20 OK 85 100 - 85 - 3.0/6303=19, 3.6/807=18...(17) HB2 HIS 106 - H LYS 20 lone 7 96 - 7 - 805/4.1=1, 795/4.1=1 HD3 ARG 46 - H LYS 20 lone 5 70 - 8 - 6290/4.6=1 HB3 TRP 92 - H LYS 20 lone 2 61 - 3 - Peak 6305 from nnoeabs.peaks (3.18, 7.79, 118.64 ppm; 5.00 A): 2 out of 5 assignments used, quality = 0.98: * HD3 ARG 19 + H LYS 20 OK 85 100 - 85 - 3.0/6303=19, 3.6/807=18...(17) HD2 ARG 19 + H LYS 20 OK 85 100 - 85 - 3.0/6303=19, 3.6/807=18...(17) HB2 HIS 106 - H LYS 20 lone 7 96 - 7 - 805/4.1=1, 795/4.1=1 HD3 ARG 46 - H LYS 20 lone 5 70 - 8 - 6290/4.6=1 HB3 TRP 92 - H LYS 20 lone 2 61 - 3 - Peak 6306 from nnoeabs.peaks (4.05, 7.79, 118.64 ppm; 2.99 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 20 + H LYS 20 OK 100 100 - 100 - 2.9=100 HA GLU 17 + H LYS 20 OK 55 100 - 55 - 732=18, 3.6/6296=8...(19) HA GLU 16 - H LYS 20 OK 28 97 - 29 - 844=4, 692/4.6=3...(11) HB2 SER 49 - H LYS 20 OK 10 98 - 10 - 858/4.0=1, 894/4.9=1, 870/4.0=1 HB3 SER 59 - H LYS 20 lone 5 77 - 6 - Peak 6307 from nnoeabs.peaks (1.89, 7.79, 118.64 ppm; 2.95 A): 2 out of 9 assignments used, quality = 0.93: HB2 ARG 19 + H LYS 20 OK 75 100 - 75 - 4.1=37, 1.8/6301=12...(20) * HB2 LYS 20 + H LYS 20 OK 73 100 - 73 - 4.0=39, 1.8/871=15...(20) HB VAL 54 - H LYS 20 OK 19 99 - 19 - 2.1/8528=3, 779/3.6=2...(9) HB ILE 8 - H LYS 20 OK 17 98 - 18 - 846/2.9=2, 801/4.1=2...(9) HG LEU 42 - H LYS 20 lone 7 97 - 7 - HB3 LYS 68 - H LYS 20 lone 6 65 - 10 - 3.0/6299=3, 4.0/7101=1 HB3 LEU 14 - H LYS 20 lone 5 84 - 6 - 3.1/10412=1 HB2 GLU 43 - H LYS 20 lone 2 70 - 2 - HB3 GLU 104 - H LYS 20 lone 1 61 - 1 - Peak 6308 from nnoeabs.peaks (1.93, 7.79, 118.64 ppm; 2.85 A): 3 out of 11 assignments used, quality = 0.93: HB3 ARG 19 + H LYS 20 OK 69 99 - 70 - 4.1=33, 1.8/6300=12...(19) * HB3 LYS 20 + H LYS 20 OK 69 100 - 69 - 4.0=35, 1.8/6300=12...(20) HB2 GLU 17 + H LYS 20 OK 33 97 - 34 - 2.9/732=10, 4.6/6296=6...(15) HB2 LYS 94 - H LYS 20 lone 8 87 - 10 - HB VAL 32 - H LYS 20 lone 6 98 - 6 - HB2 MET 1 - H LYS 20 lone 6 97 - 6 - HB3 LYS 47 - H LYS 20 lone 5 92 - 6 - HG3 GLU 88 - H LYS 20 lone 4 94 - 4 - HB2 LYS 13 - H LYS 20 lone 1 65 - 1 - HB2 LYS 33 - H LYS 20 lone 1 70 - 1 - HB3 LYS 33 - H LYS 20 lone 1 61 - 1 - Peak 6309 from nnoeabs.peaks (1.46, 7.79, 118.64 ppm; 3.63 A): 3 out of 14 assignments used, quality = 0.91: * HG2 LYS 20 + H LYS 20 OK 84 100 - 84 - 4.9=41, 1.8/893=19...(20) HB2 LEU 27 + H LYS 20 OK 28 100 - 28 - 1195=5, 1.8/1203=4...(9) HG2 LYS 53 + H LYS 20 OK 19 98 - 19 - 882=4, 883/2.9=3...(8) HG13 ILE 52 - H LYS 20 OK 18 100 - 18 - ~9171=2, 3.2/8527=2...(9) HG3 ARG 91 - H LYS 20 OK 17 99 - 17 - ~10992=5, 848/2.9=2...(6) HD2 LYS 53 - H LYS 20 OK 16 100 - 16 - 3.0/882=2, 863/4.0=2...(7) HG3 LYS 53 - H LYS 20 OK 15 90 - 17 - 1.8/882=3, 848/2.9=2...(9) HD2 LYS 82 - H LYS 20 OK 10 100 - 10 - 3.5/6303=2, 3695/4.9=2 HD2 LYS 40 - H LYS 20 lone 9 97 - 9 - 863/4.0=1, 875/4.0=1...(4) HD3 LYS 40 - H LYS 20 lone 9 96 - 9 - 863/4.0=1, 875/4.0=1, 848/2.9=1 HB2 LEU 38 - H LYS 20 lone 8 100 - 8 - 863/4.0=1, 848/2.9=1, 875/4.0=1 HG LEU 38 - H LYS 20 lone 8 100 - 8 - 848/2.9=1, 863/4.0=1, 875/4.0=1 HG2 LYS 12 - H LYS 20 lone 5 87 - 5 - HG3 LYS 39 - H LYS 20 lone 4 73 - 5 - Peak 6310 from nnoeabs.peaks (1.67, 7.79, 118.64 ppm; 3.04 A): 3 out of 13 assignments used, quality = 0.95: * HG3 LYS 20 + H LYS 20 OK 65 100 - 65 - 4.9=24, 3.0/871=12...(20) HD2 LYS 20 + H LYS 20 OK 61 100 - 61 - 5.9=14, 2.8/893=10...(23) HD3 LYS 20 + H LYS 20 OK 60 100 - 60 - 5.9=14, 2.8/893=10...(22) HB ILE 52 - H LYS 20 lone 10 99 - 10 - 3.0/6309=1, 2.1/8527=1, ~9164=1 HD2 LYS 47 - H LYS 20 lone 8 98 - 8 - HB3 ARG 91 - H LYS 20 lone 8 96 - 9 - ~10992=3, 2.8/6309=1 HD3 LYS 47 - H LYS 20 lone 8 97 - 8 - HB3 LYS 53 - H LYS 20 lone 8 90 - 9 - 3.0/882=2, 3.0/6309=1 HD2 LYS 73 - H LYS 20 lone 5 97 - 5 - HD3 LYS 73 - H LYS 20 lone 5 94 - 5 - HB3 LYS 40 - H LYS 20 lone 4 94 - 4 - HG12 ILE 15 - H LYS 20 lone 3 61 - 5 - 2.1/8436=3 HG2 PRO 86 - H LYS 20 lone 1 65 - 1 - Peak 6311 from nnoeabs.peaks (1.68, 7.79, 118.64 ppm; 3.04 A): 3 out of 16 assignments used, quality = 0.95: HG3 LYS 20 + H LYS 20 OK 65 100 - 65 - 4.9=24, 3.0/871=12...(20) * HD2 LYS 20 + H LYS 20 OK 61 100 - 61 - 5.9=14, 2.8/893=10...(23) HD3 LYS 20 + H LYS 20 OK 60 100 - 60 - 5.9=14, 2.8/893=10...(22) HB ILE 52 - H LYS 20 lone 9 97 - 9 - 3.0/6309=1, 2.1/8527=1, ~9164=1 HB3 ARG 91 - H LYS 20 lone 9 99 - 9 - ~10992=3, 2.8/6309=1 HD2 LYS 47 - H LYS 20 lone 8 100 - 8 - HD3 LYS 47 - H LYS 20 lone 8 99 - 8 - HB3 LYS 53 - H LYS 20 lone 8 96 - 9 - 3.0/882=2, 3.0/6309=1 HD2 LYS 73 - H LYS 20 lone 5 92 - 5 - HD3 LYS 73 - H LYS 20 lone 4 87 - 5 - HB3 LYS 40 - H LYS 20 lone 4 98 - 4 - HG12 ILE 15 - H LYS 20 lone 4 73 - 5 - 2.1/8436=3 HG2 PRO 86 - H LYS 20 lone 1 77 - 1 - HD3 LYS 90 - H LYS 20 lone 1 61 - 2 - HD2 LYS 24 - H LYS 20 lone 1 65 - 1 - HD3 LYS 24 - H LYS 20 lone 1 61 - 1 - Peak 6312 from nnoeabs.peaks (1.67, 7.79, 118.64 ppm; 3.04 A): 3 out of 13 assignments used, quality = 0.95: HG3 LYS 20 + H LYS 20 OK 65 100 - 65 - 4.9=24, 3.0/871=12...(20) HD2 LYS 20 + H LYS 20 OK 61 100 - 61 - 5.9=14, 2.8/893=10...(23) * HD3 LYS 20 + H LYS 20 OK 60 100 - 60 - 5.9=14, 2.8/893=10...(22) HB ILE 52 - H LYS 20 lone 10 99 - 10 - 3.0/6309=1, 2.1/8527=1, ~9164=1 HD2 LYS 47 - H LYS 20 lone 8 98 - 8 - HB3 ARG 91 - H LYS 20 lone 8 96 - 9 - ~10992=3, 2.8/6309=1 HD3 LYS 47 - H LYS 20 lone 8 97 - 8 - HB3 LYS 53 - H LYS 20 lone 8 90 - 9 - 3.0/882=2, 3.0/6309=1 HD2 LYS 73 - H LYS 20 lone 5 97 - 5 - HD3 LYS 73 - H LYS 20 lone 5 94 - 5 - HB3 LYS 40 - H LYS 20 lone 4 94 - 4 - HG12 ILE 15 - H LYS 20 lone 3 61 - 5 - 2.1/8436=3 HG2 PRO 86 - H LYS 20 lone 1 65 - 1 - Peak 6313 from nnoeabs.peaks (2.91, 7.79, 118.64 ppm; 4.59 A): 2 out of 9 assignments used, quality = 0.98: * HE2 LYS 20 + H LYS 20 OK 85 100 - 85 - 7.3=25, 3.6/893=19...(23) HE3 LYS 20 + H LYS 20 OK 85 100 - 85 - 7.3=25, 3.6/893=19...(23) HE3 LYS 94 - H LYS 20 OK 34 100 - 34 - 868/4.0=4, 879/4.0=4...(14) HE2 LYS 68 - H LYS 20 OK 33 100 - 34 - 867/4.0=3, 6.3/6299=3...(15) HE3 LYS 68 - H LYS 20 OK 33 99 - 34 - 867/4.0=3, 6.3/6299=3...(15) HE2 LYS 94 - H LYS 20 OK 33 96 - 35 - 868/4.0=4, 880/4.0=4...(14) HE3 LYS 66 - H LYS 20 OK 28 90 - 31 - 4.7/6303=5, 2.9/2930=4...(11) HE2 LYS 66 - H LYS 20 OK 20 70 - 29 - 4.7/6303=5, 2.9/2930=4...(10) HB2 ASN 10 - H LYS 20 lone 6 73 - 8 - 4.0/6296=2, 4.6/6296=1 Peak 6314 from nnoeabs.peaks (2.91, 7.79, 118.64 ppm; 4.59 A): 2 out of 9 assignments used, quality = 0.98: * HE3 LYS 20 + H LYS 20 OK 85 100 - 85 - 7.3=25, 3.6/893=19...(23) HE2 LYS 20 + H LYS 20 OK 85 100 - 85 - 7.3=25, 3.6/893=19...(23) HE3 LYS 94 - H LYS 20 OK 34 100 - 34 - 868/4.0=4, 879/4.0=4...(14) HE2 LYS 68 - H LYS 20 OK 33 100 - 33 - 867/4.0=3, 6.3/6299=3...(15) HE2 LYS 94 - H LYS 20 OK 33 97 - 35 - 868/4.0=4, 880/4.0=4...(14) HE3 LYS 68 - H LYS 20 OK 33 99 - 34 - 867/4.0=3, 6.3/6299=3...(15) HE3 LYS 66 - H LYS 20 OK 27 87 - 31 - 4.7/6303=5, 2.9/2930=4...(10) HE2 LYS 66 - H LYS 20 OK 19 65 - 29 - 4.7/6303=5, 2.9/2930=4...(10) HB2 ASN 10 - H LYS 20 lone 6 77 - 8 - 4.0/6296=2, 8490/6297=1 Peak 6315 from nnoeabs.peaks (7.68, 7.79, 118.64 ppm; 3.15 A): 3 out of 3 assignments used, quality = 0.79: * H MET 21 + H LYS 20 OK 69 100 - 69 - 4.5=34, 4.6/6316=8...(18) H SER 85 + H LYS 20 OK 20 99 - 20 - 854/2.9=3, 881/4.0=3...(8) HD22 ASN 51 + H LYS 20 OK 15 100 - 14 - 854/2.9=3, 869/4.0=2...(7) Peak 6316 from nnoeabs.peaks (8.81, 7.79, 118.64 ppm; 4.58 A): 2 out of 3 assignments used, quality = 0.78: * H ALA 22 + H LYS 20 OK 75 100 - 75 - 6338/4.5=27, 6343=24...(12) H ILE 8 + H LYS 20 OK 12 65 - 19 - 3.8/6300=3, 4.0/8527=3...(6) H SER 59 - H LYS 20 poor 8 65 - 11 - 6338/4.5=2, 786/3.6=2...(4) Peak 6317 from nnoeabs.peaks (7.68, 7.68, 118.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 21 + H MET 21 OK 100 100 - 100 Peak 6318 from nnoeabs.peaks (4.05, 7.68, 118.10 ppm; 3.76 A): 1 out of 5 assignments used, quality = 1.00: HA LYS 20 + H MET 21 OK 100 100 - 100 - 3.6=100 ! HA GLU 17 - H MET 21 OK 40 100 - 40 - 732/4.5=11, 5.0/8560=8...(10) HA GLU 16 - H MET 21 OK 22 96 - 23 - 854=4, 6306/4.5=3...(7) HB2 SER 49 - H MET 21 OK 15 99 - 15 - 9074/3.0=2, 858/4.6=2...(7) HB3 SER 59 - H MET 21 lone 5 73 - 7 - 4.0/6338=2 Peak 6319 from nnoeabs.peaks (3.77, 7.68, 118.10 ppm; 3.82 A): 1 out of 1 assignment used, quality = 0.83: * HA ALA 18 + H MET 21 OK 83 100 - 83 - 769=28, 6341/4.6=20...(14) Peak 6320 from nnoeabs.peaks (8.90, 7.68, 118.10 ppm; 4.87 A): 2 out of 3 assignments used, quality = 0.92: * H ARG 19 + H MET 21 OK 91 100 - 91 - 3.6/6319=38, 6292=34...(15) H ASP 77 + H MET 21 OK 16 90 - 18 - 6298/4.5=6, 768/6319=2...(8) H VAL 5 - H MET 21 poor 8 65 - 13 - 6298/4.5=3, 768/6319=2...(4) Peak 6321 from nnoeabs.peaks (3.81, 7.68, 118.10 ppm; 4.01 A): 5 out of 5 assignments used, quality = 0.92: * HA ARG 19 + H MET 21 OK 72 100 - 73 - 3.6/6315=22, 3.0/6320=18...(18) HA ALA 22 + H MET 21 OK 41 70 - 60 - 3.0/6338=32, 3.6/6359=16...(8) HA LYS 68 + H MET 21 OK 34 99 - 34 - 8545/5.1=6, 786/4.6=5...(11) HA SER 97 + H MET 21 OK 13 97 - 13 - 6299/4.5=3, 11086/3.6=2 HB3 SER 102 + H MET 21 OK 11 100 - 11 - 8545/5.1=2, 6342/4.6=1...(5) Peak 6322 from nnoeabs.peaks (7.79, 7.68, 118.10 ppm; 3.19 A): 3 out of 6 assignments used, quality = 0.78: * H LYS 20 + H MET 21 OK 71 100 - 71 - 4.5=35, 6316/4.6=8...(18) H GLU 28 + H MET 21 OK 15 98 - 15 - 6343/4.6=2, 844/3.6=2...(6) H GLU 99 + H MET 21 OK 12 100 - 12 - 6343/4.6=2, 844/3.6=2...(4) HE ARG 30 - H MET 21 lone 9 100 - 9 - 4.0/8561=2, 844/3.6=1 H LYS 66 - H MET 21 lone 8 92 - 8 - 844/3.6=1, 859/4.6=1, 871/4.6=1 H SER 9 - H MET 21 lone 4 61 - 7 - 4.6/6338=1 Peak 6323 from nnoeabs.peaks (4.05, 7.68, 118.10 ppm; 3.76 A): 1 out of 5 assignments used, quality = 1.00: * HA LYS 20 + H MET 21 OK 100 100 - 100 - 3.6=100 HA GLU 17 - H MET 21 OK 40 100 - 40 - 732/4.5=11, 5.0/8560=8...(10) HA GLU 16 - H MET 21 OK 22 97 - 23 - 854=4, 6294/4.5=3...(7) HB2 SER 49 - H MET 21 OK 15 98 - 15 - 9074/3.0=2, 858/4.6=2...(6) HB3 SER 59 - H MET 21 lone 6 77 - 7 - 4.0/6338=2 Peak 6324 from nnoeabs.peaks (1.89, 7.68, 118.10 ppm; 3.60 A): 5 out of 9 assignments used, quality = 0.93: * HB2 LYS 20 + H MET 21 OK 76 100 - 76 - 4.6=47, 1.8/881=18...(12) HB2 ARG 19 + H MET 21 OK 55 100 - 55 - 4.1/6315=15, 3.9/6320=12...(8) HB VAL 54 + H MET 21 OK 16 99 - 16 - 2.1/10442=4, 2.1/8562=3...(4) HG LEU 42 + H MET 21 OK 14 97 - 14 - 3.0/8561=7, 2.1/8562=2 HB ILE 8 + H MET 21 OK 12 98 - 12 - 846/3.6=2, 3.8/6338=2...(4) HB3 LYS 68 - H MET 21 poor 7 65 - 10 - 3.0/6321=5, 5.0/6330=1 HB3 LEU 14 - H MET 21 lone 6 84 - 7 - 3.1/10413=2 HB3 GLU 104 - H MET 21 lone 3 61 - 5 - 3.0/6337=2 HB2 GLU 43 - H MET 21 lone 2 70 - 3 - Peak 6325 from nnoeabs.peaks (1.93, 7.68, 118.10 ppm; 3.42 A): 7 out of 11 assignments used, quality = 0.93: * HB3 LYS 20 + H MET 21 OK 69 100 - 69 - 4.6=40, 4.0/6315=14...(12) HB3 ARG 19 + H MET 21 OK 51 99 - 52 - 4.1/6315=13, 3.9/6320=10...(8) HB2 GLU 17 + H MET 21 OK 20 97 - 21 - 737/3.6=6, 2.9/6318=5...(4) HG3 GLU 88 + H MET 21 OK 14 94 - 15 - 4.2/8550=4, 3.0/10297=2...(4) HB2 MET 1 + H MET 21 OK 12 97 - 12 - 4.2/8036=3, 3.0/8001=2...(4) HB VAL 32 + H MET 21 OK 11 98 - 11 - 1396/3.0=2, 3.0/6332=2...(5) HB2 LYS 94 + H MET 21 OK 11 87 - 12 - 4.0/6339=4, 4.8/6331=1 HB3 LYS 47 - H MET 21 lone 6 92 - 6 - HB2 LYS 13 - H MET 21 lone 1 65 - 2 - HB2 LYS 33 - H MET 21 lone 1 70 - 1 - HB3 LYS 33 - H MET 21 lone 1 61 - 1 - Peak 6326 from nnoeabs.peaks (1.46, 7.68, 118.10 ppm; 3.98 A): 7 out of 14 assignments used, quality = 0.88: * HG2 LYS 20 + H MET 21 OK 69 100 - 69 - 3.0/881=17, 3.0/869=15...(11) HG13 ILE 52 + H MET 21 OK 19 100 - 19 - 10641/4.0=3, 848/3.6=2...(8) HB2 LEU 27 + H MET 21 OK 17 100 - 17 - 4.4/6322=3, 1195/4.5=3...(5) HG2 LYS 53 + H MET 21 OK 16 98 - 17 - 883/3.6=3, 884/4.6=2...(7) HD2 LYS 53 + H MET 21 OK 15 100 - 15 - 1.8/10441=2, 863/4.6=2...(7) HG3 LYS 53 + H MET 21 OK 13 90 - 14 - 848/3.6=2, 863/4.6=2...(7) HG3 ARG 91 + H MET 21 OK 12 99 - 12 - 848/3.6=2, 863/4.6=2...(5) HD2 LYS 40 - H MET 21 lone 7 97 - 7 - 863/4.6=1, 875/4.6=1, 848/3.6=1 HG LEU 38 - H MET 21 lone 7 100 - 7 - 848/3.6=1, 863/4.6=1, 875/4.6=1 HB2 LEU 38 - H MET 21 lone 7 100 - 7 - 10551/4.6=1, 848/3.6=1 HD3 LYS 40 - H MET 21 lone 7 96 - 7 - 863/4.6=1, 875/4.6=1 HD2 LYS 82 - H MET 21 lone 7 100 - 7 - 1.8/10441=2 HG2 LYS 12 - H MET 21 lone 5 87 - 5 - HG3 LYS 39 - H MET 21 lone 5 73 - 6 - Peak 6327 from nnoeabs.peaks (1.67, 7.68, 118.10 ppm; 3.93 A): 3 out of 13 assignments used, quality = 0.96: * HG3 LYS 20 + H MET 21 OK 68 100 - 68 - 3.0/881=16, 3.0/869=14...(14) HD3 LYS 20 + H MET 21 OK 63 100 - 63 - 3.5/881=14, 3.5/869=13...(13) HD2 LYS 20 + H MET 21 OK 63 100 - 63 - 3.5/881=14, 3.5/869=13...(13) HB ILE 52 - H MET 21 OK 18 99 - 18 - 3.0/6326=3, 12042/5.1=2...(8) HD2 LYS 73 - H MET 21 OK 15 97 - 15 - 3.0/6335=2, 3.0/6335=2...(7) HD3 LYS 73 - H MET 21 OK 14 94 - 15 - 3.0/6335=2, 3.0/6335=2...(7) HB3 LYS 53 - H MET 21 OK 13 90 - 15 - 3.0/6326=2, 3.6/6326=2...(5) HB3 ARG 91 - H MET 21 OK 11 96 - 12 - 2.8/6326=2 HD2 LYS 47 - H MET 21 OK 11 98 - 11 - 905/3.6=1, 865/4.6=1, 877/4.6=1 HD3 LYS 47 - H MET 21 OK 11 97 - 11 - 905/3.6=1, 865/4.6=1, 877/4.6=1 HG2 PRO 86 - H MET 21 poor 9 65 - 13 - 2.3/6337=4, 2.3/9850=2...(4) HB3 LYS 40 - H MET 21 lone 6 94 - 6 - HG12 ILE 15 - H MET 21 lone 5 61 - 9 - 2.1/8562=2, 1.8/8562=2, ~8566=1 Peak 6328 from nnoeabs.peaks (1.68, 7.68, 118.10 ppm; 3.93 A): 3 out of 16 assignments used, quality = 0.95: HG3 LYS 20 + H MET 21 OK 67 100 - 68 - 3.0/881=16, 3.0/869=14...(14) * HD2 LYS 20 + H MET 21 OK 63 100 - 63 - 3.5/881=14, 3.5/869=13...(13) HD3 LYS 20 + H MET 21 OK 63 100 - 63 - 3.5/881=14, 3.5/869=13...(13) HB ILE 52 - H MET 21 OK 17 97 - 18 - 3.0/6326=3, 12042/5.1=2...(8) HB3 LYS 53 - H MET 21 OK 14 96 - 15 - 3.0/6326=2, 3.6/6326=2...(5) HD2 LYS 73 - H MET 21 OK 14 92 - 15 - 3.0/6335=2, 3.0/6335=2...(7) HD3 LYS 73 - H MET 21 OK 13 87 - 15 - 3.0/6335=2, 3.0/6335=2...(7) HB3 ARG 91 - H MET 21 OK 12 99 - 12 - 2.8/6326=2 HD2 LYS 47 - H MET 21 OK 11 100 - 11 - 905/3.6=1, 865/4.6=1, 877/4.6=1 HD3 LYS 47 - H MET 21 OK 11 99 - 11 - 905/3.6=1, 865/4.6=1, 877/4.6=1 HG2 PRO 86 - H MET 21 OK 11 77 - 14 - 2.3/6337=4, 2.3/9850=2...(4) HD3 LYS 90 - H MET 21 OK 10 61 - 17 - 5.2/8550=5, 3.0/6335=3...(4) HG12 ILE 15 - H MET 21 lone 7 73 - 9 - 2.1/8562=2, 1.8/8562=2, ~8566=1 HB3 LYS 40 - H MET 21 lone 6 98 - 6 - HD2 LYS 24 - H MET 21 lone 6 65 - 9 - 3.0/10441=2, ~8565=1...(5) HD3 LYS 24 - H MET 21 lone 6 61 - 9 - 3.0/10441=2, ~8565=1...(4) Peak 6329 from nnoeabs.peaks (1.67, 7.68, 118.10 ppm; 3.93 A): 3 out of 13 assignments used, quality = 0.96: HG3 LYS 20 + H MET 21 OK 68 100 - 68 - 3.0/881=16, 3.0/869=14...(14) * HD3 LYS 20 + H MET 21 OK 63 100 - 63 - 3.5/881=14, 3.5/869=13...(13) HD2 LYS 20 + H MET 21 OK 63 100 - 63 - 3.5/881=14, 3.5/869=13...(13) HB ILE 52 - H MET 21 OK 18 99 - 18 - 3.0/6326=3, 12042/5.1=2...(8) HD2 LYS 73 - H MET 21 OK 15 97 - 15 - 3.0/6335=2, 3.0/6335=2...(7) HD3 LYS 73 - H MET 21 OK 14 94 - 15 - 3.0/6335=2, 3.0/6335=2...(7) HB3 LYS 53 - H MET 21 OK 13 90 - 15 - 3.0/6326=2, 3.6/6326=2...(5) HB3 ARG 91 - H MET 21 OK 11 96 - 12 - 2.8/6326=2 HD2 LYS 47 - H MET 21 OK 11 98 - 11 - 905/3.6=1, 865/4.6=1, 877/4.6=1 HD3 LYS 47 - H MET 21 OK 11 97 - 11 - 905/3.6=1, 865/4.6=1, 877/4.6=1 HG2 PRO 86 - H MET 21 poor 9 65 - 13 - 2.3/6337=4, 2.3/9850=2...(4) HB3 LYS 40 - H MET 21 lone 6 94 - 6 - HG12 ILE 15 - H MET 21 lone 5 61 - 9 - 2.1/8562=2, 1.8/8562=2, ~8566=1 Peak 6330 from nnoeabs.peaks (2.91, 7.68, 118.10 ppm; 4.12 A): 6 out of 9 assignments used, quality = 0.90: HE3 LYS 20 + H MET 21 OK 54 100 - 54 - 4.7/881=11, 4.7/869=11...(11) * HE2 LYS 20 + H MET 21 OK 54 100 - 54 - 4.7/881=11, 4.7/869=11...(11) HE3 LYS 94 + H MET 21 OK 19 100 - 20 - 7.3/6339=3, 868/4.6=3...(10) HE2 LYS 94 + H MET 21 OK 19 96 - 20 - 7.3/6339=3, 868/4.6=2...(10) HE2 LYS 68 + H MET 21 OK 16 100 - 16 - 6.3/6321=3, 867/4.6=2...(7) HE3 LYS 68 + H MET 21 OK 16 99 - 16 - 6.3/6321=3, 867/4.6=2...(7) HE3 LYS 66 - H MET 21 lone 6 90 - 6 - 6313/4.5=1 HB2 ASN 10 - H MET 21 lone 4 73 - 5 - HE2 LYS 66 - H MET 21 lone 4 70 - 5 - 6313/4.5=1 Peak 6331 from nnoeabs.peaks (2.91, 7.68, 118.10 ppm; 4.12 A): 6 out of 9 assignments used, quality = 0.90: * HE3 LYS 20 + H MET 21 OK 54 100 - 54 - 4.7/881=11, 4.7/869=11...(11) HE2 LYS 20 + H MET 21 OK 54 100 - 54 - 4.7/881=11, 4.7/869=11...(11) HE2 LYS 94 + H MET 21 OK 20 97 - 20 - 7.3/6339=3, 868/4.6=2...(10) HE3 LYS 94 + H MET 21 OK 19 100 - 20 - 7.3/6339=3, 868/4.6=3...(10) HE2 LYS 68 + H MET 21 OK 16 100 - 16 - 6.3/6321=3, 867/4.6=2...(7) HE3 LYS 68 + H MET 21 OK 16 99 - 16 - 6.3/6321=3, 867/4.6=2...(7) HE3 LYS 66 - H MET 21 lone 6 87 - 6 - 6313/4.5=1 HB2 ASN 10 - H MET 21 lone 4 77 - 5 - HE2 LYS 66 - H MET 21 lone 3 65 - 5 - 6313/4.5=1 Peak 6332 from nnoeabs.peaks (4.41, 7.68, 118.10 ppm; 3.36 A): 1 out of 9 assignments used, quality = 1.00: * HA MET 21 + H MET 21 OK 100 100 - 100 - 3.0=100 HA GLN 50 - H MET 21 OK 17 84 - 21 - 3.6/6838=4, 2277/4.0=3...(9) HA HIS 106 - H MET 21 OK 17 99 - 17 - 948=4, 961/4.0=2...(10) HA ALA 25 - H MET 21 OK 17 100 - 17 - 6346/4.6=3, 961/4.0=2...(9) HA MET 74 - H MET 21 OK 14 96 - 15 - 3.0/6333=2, 961/4.0=2...(7) HA VAL 32 - H MET 21 OK 11 100 - 11 - 3.0/6325=1, 1391/4.6=1 HA ILE 76 - H MET 21 lone 6 70 - 8 - 3.6/6320=2, ~956=1 HA GLU 48 - H MET 21 lone 4 70 - 6 - 3.0/6333=1 HA SER 9 - H MET 21 lone 2 65 - 3 - Peak 6333 from nnoeabs.peaks (2.05, 7.68, 118.10 ppm; 3.06 A): 3 out of 11 assignments used, quality = 0.78: * HB2 MET 21 + H MET 21 OK 68 100 - 68 - 4.0=43, 4.6/6338=11...(7) HG12 ILE 93 + H MET 21 OK 24 84 - 29 - 3.2/10032=5, 2.1/8562=4...(11) HB2 MET 74 + H MET 21 OK 11 87 - 13 - 950/3.0=2, ~958=2...(5) HB3 GLU 48 - H MET 21 lone 5 100 - 5 - HB2 GLU 99 - H MET 21 lone 5 97 - 5 - 3.9/6322=2 HG2 GLU 28 - H MET 21 lone 5 84 - 5 - 5.0/6322=1, 3.0/10441=1 HG3 GLU 28 - H MET 21 lone 5 84 - 5 - 5.0/6322=1, 3.0/10441=1 HB2 GLU 98 - H MET 21 lone 4 98 - 4 - 4.6/6322=1 HB3 GLU 98 - H MET 21 lone 4 97 - 4 - 4.6/6322=1 HB3 GLU 99 - H MET 21 lone 4 84 - 5 - 3.9/6322=2 HB3 GLU 43 - H MET 21 lone 1 81 - 2 - Peak 6334 from nnoeabs.peaks (2.40, 7.68, 118.10 ppm; 3.90 A): 2 out of 4 assignments used, quality = 0.99: * HB3 MET 21 + H MET 21 OK 96 100 - 96 - 4.0=90, 1.8/960=24...(9) HG3 MET 21 + H MET 21 OK 79 100 - 79 - 5.1=45, 3.0/960=18...(11) HG2 GLN 50 - H MET 21 OK 25 100 - 25 - 2298/3.0=6, 963/4.0=3...(10) HG3 MET 1 - H MET 21 poor 9 61 - 14 - 3.3/8036=4, 4.2/8001=3 Peak 6335 from nnoeabs.peaks (2.94, 7.68, 118.10 ppm; 3.92 A): 5 out of 7 assignments used, quality = 0.95: * HG2 MET 21 + H MET 21 OK 81 100 - 81 - 5.1=45, 3.0/960=18...(13) HB2 ASN 51 + H MET 21 OK 54 98 - 55 - 2325=14, 1.8/2332=10...(15) HE3 LYS 90 + H MET 21 OK 21 99 - 21 - 6.2/8550=4, 964/4.0=3...(8) HE3 LYS 73 + H MET 21 OK 13 98 - 13 - 952/3.0=2, 964/4.0=1...(6) HE2 LYS 73 + H MET 21 OK 11 90 - 12 - 952/3.0=2, ~952=2...(5) HB2 ASN 10 - H MET 21 lone 6 87 - 7 - HE3 LYS 13 - H MET 21 lone 1 65 - 2 - Peak 6336 from nnoeabs.peaks (2.40, 7.68, 118.10 ppm; 3.90 A): 2 out of 4 assignments used, quality = 0.99: HB3 MET 21 + H MET 21 OK 96 100 - 96 - 4.0=90, 1.8/960=24...(9) * HG3 MET 21 + H MET 21 OK 79 100 - 79 - 5.1=45, 3.0/960=18...(11) HG2 GLN 50 - H MET 21 OK 25 100 - 25 - 2298/3.0=6, 963/4.0=3...(10) HG3 MET 1 - H MET 21 poor 9 65 - 14 - 3.3/8036=4, 4.2/8001=3 Peak 6337 from nnoeabs.peaks (2.10, 7.68, 118.10 ppm; 3.37 A): 4 out of 9 assignments used, quality = 0.78: * QE MET 21 + H MET 21 OK 60 100 - 60 - 6.1=17, 995/4.0=13...(10) HB2 GLU 23 + H MET 21 OK 22 87 - 26 - 4.0/6359=10, 6351/4.6=4...(6) HB VAL 83 + H MET 21 OK 19 81 - 24 - 2.1/9779=6, 9774=5...(6) HB3 PRO 86 + H MET 21 OK 14 98 - 14 - 954/3.0=2, 966/4.0=2...(5) HG3 GLU 104 - H MET 21 lone 9 100 - 9 - 954/3.0=1, 966/4.0=1, 6351/4.6=1 HG3 GLU 37 - H MET 21 lone 8 90 - 8 - 954/3.0=2, 966/4.0=1 HB2 LEU 64 - H MET 21 lone 5 81 - 6 - HB3 GLU 62 - H MET 21 lone 4 92 - 4 - HB3 GLU 35 - H MET 21 lone 2 65 - 3 - Peak 6338 from nnoeabs.peaks (8.81, 7.68, 118.10 ppm; 3.16 A): 1 out of 3 assignments used, quality = 0.73: * H ALA 22 + H MET 21 OK 73 100 - 73 - 6345=34, 967/4.0=11...(17) H ILE 8 - H MET 21 lone 6 65 - 9 - 6316/4.5=1, 955/3.0=1 H SER 59 - H MET 21 lone 5 65 - 8 - 955/3.0=1 Peak 6339 from nnoeabs.peaks (8.28, 7.68, 118.10 ppm; 4.78 A): 4 out of 5 assignments used, quality = 0.92: * H GLU 23 + H MET 21 OK 80 100 - 80 - 6359=33, 4.7/6338=28...(14) H LYS 94 + H MET 21 OK 48 87 - 56 - 4.3/10032=11, 8534/5.1=9...(16) H ALA 71 + H MET 21 OK 12 73 - 17 - 8534/5.1=3, 8532/3.0=3...(6) H LEU 103 + H MET 21 OK 11 90 - 12 - 6354/4.6=3, 4.5/6321=2...(4) H PHE 45 - H MET 21 poor 8 73 - 11 - 8532/3.0=2, 8534/5.1=2...(4) Peak 6340 from nnoeabs.peaks (8.81, 8.81, 122.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 22 + H ALA 22 OK 100 100 - 100 Peak 6341 from nnoeabs.peaks (3.77, 8.81, 122.15 ppm; 3.40 A): 1 out of 1 assignment used, quality = 0.58: * HA ALA 18 + H ALA 22 OK 58 100 - 58 - 2.1/8569=18, 6319/4.6=14...(12) Peak 6342 from nnoeabs.peaks (3.81, 8.81, 122.15 ppm; 3.08 A): 3 out of 5 assignments used, quality = 0.87: HA ALA 22 + H ALA 22 OK 70 70 - 100 - 3.0=100 * HA ARG 19 + H ALA 22 OK 44 100 - 45 - 786=11, 3.6/6316=10...(10) HA LYS 68 + H ALA 22 OK 22 99 - 22 - 786=5, 1007/2.9=3...(8) HA SER 97 - H ALA 22 lone 9 97 - 10 - 1007/2.9=1, 10028/11002=1 HB3 SER 102 - H ALA 22 lone 8 100 - 7 - 4465/4.7=1, 1007/2.9=1 Peak 6343 from nnoeabs.peaks (7.79, 8.81, 122.15 ppm; 4.41 A): 4 out of 6 assignments used, quality = 0.89: * H LYS 20 + H ALA 22 OK 77 100 - 77 - 6316=35, 4.5/6338=26...(12) H GLU 28 + H ALA 22 OK 33 98 - 34 - 4.4/8570=9, 4.7/8567=7...(10) H GLU 99 + H ALA 22 OK 23 100 - 23 - 7601/3.0=4, 6322/4.6=3...(9) H LYS 66 + H ALA 22 OK 11 92 - 12 - 7062/8604=2, 6322/4.6=2...(4) HE ARG 30 - H ALA 22 lone 8 100 - 8 - 6322/4.6=2, 5.0/8570=1 H SER 9 - H ALA 22 poor 7 61 - 11 - 8587/2.9=2, 4.1/8567=1 Peak 6344 from nnoeabs.peaks (4.05, 8.81, 122.15 ppm; 4.55 A): 4 out of 5 assignments used, quality = 0.87: * HA LYS 20 + H ALA 22 OK 67 100 - 67 - 3.6/6338=34, 2.9/6316=25...(11) HA GLU 17 + H ALA 22 OK 38 100 - 38 - 5.0/8569=20, 732/6316=6...(5) HA GLU 16 + H ALA 22 OK 24 97 - 25 - 6358/4.7=8, 6323/4.6=3...(9) HB2 SER 49 + H ALA 22 OK 14 98 - 14 - 9074/3.6=3, 6318/4.6=2 HB3 SER 59 - H ALA 22 lone 6 77 - 8 - 6358/4.7=2, 1.8/10446=1 Peak 6345 from nnoeabs.peaks (7.68, 8.81, 122.15 ppm; 3.03 A): 3 out of 3 assignments used, quality = 0.80: * H MET 21 + H ALA 22 OK 72 100 - 72 - 6338=38, 4.0/967=10...(16) HD22 ASN 51 + H ALA 22 OK 19 100 - 20 - 948/3.6=4, 960/4.6=3...(7) H SER 85 + H ALA 22 OK 13 99 - 13 - 6359/4.7=2, 948/3.6=2...(5) Peak 6346 from nnoeabs.peaks (4.41, 8.81, 122.15 ppm; 3.88 A): 2 out of 9 assignments used, quality = 1.00: * HA MET 21 + H ALA 22 OK 100 100 - 100 - 3.6=100 HA ALA 25 + H ALA 22 OK 56 100 - 57 - 3.0/8604=17, ~1154=11...(12) HA MET 74 - H ALA 22 OK 15 96 - 16 - 10448/3.0=2, 961/4.6=2...(6) HA ILE 76 - H ALA 22 OK 15 70 - 22 - ~9648=4, 3.0/6355=3...(7) HA HIS 106 - H ALA 22 OK 14 99 - 14 - 955=4, 6332/4.6=2...(5) HA GLN 50 - H ALA 22 OK 13 84 - 15 - 2277/4.6=3, 961/4.6=3...(4) HA VAL 32 - H ALA 22 OK 12 100 - 12 - 3.0/10517=3, 10448/3.0=1...(4) HA SER 9 - H ALA 22 lone 5 65 - 8 - ~8587=3, 2.9/6343=1 HA GLU 48 - H ALA 22 lone 5 70 - 6 - 10030/11002=1 Peak 6347 from nnoeabs.peaks (2.05, 8.81, 122.15 ppm; 3.29 A): 2 out of 11 assignments used, quality = 0.81: * HB2 MET 21 + H ALA 22 OK 67 100 - 67 - 4.6=36, 4.0/6338=16...(11) HG12 ILE 93 + H ALA 22 OK 43 84 - 51 - 3.2/11002=15...(15) HB2 GLU 99 - H ALA 22 lone 9 97 - 9 - 3.9/6343=2, 3.0/10446=1 HB2 MET 74 - H ALA 22 lone 9 87 - 10 - 950/3.6=2, 3.0/6346=1...(4) HB3 GLU 99 - H ALA 22 lone 8 84 - 9 - 3.9/6343=2, 3.0/10446=1 HG3 GLU 28 - H ALA 22 lone 7 84 - 9 - 5.0/6343=2, ~10456=2...(4) HG2 GLU 28 - H ALA 22 lone 7 84 - 9 - 5.0/6343=2, ~10456=2...(4) HB2 GLU 98 - H ALA 22 lone 6 98 - 6 - 4.6/6343=2 HB3 GLU 98 - H ALA 22 lone 6 97 - 6 - 4.6/6343=2 HB3 GLU 48 - H ALA 22 lone 5 100 - 5 - HB3 GLU 43 - H ALA 22 lone 1 81 - 1 - Peak 6348 from nnoeabs.peaks (2.40, 8.81, 122.15 ppm; 4.79 A): 2 out of 4 assignments used, quality = 1.00: * HB3 MET 21 + H ALA 22 OK 100 100 - 100 - 4.6=100 HG3 MET 21 + H ALA 22 OK 85 100 - 85 - 3.0/967=32, 1.8/984=30...(14) HG2 GLN 50 - H ALA 22 OK 23 100 - 23 - 2298/3.6=7, 963/4.6=4...(8) HG3 MET 1 - H ALA 22 lone 4 61 - 6 - 6336/4.6=1 Peak 6349 from nnoeabs.peaks (2.94, 8.81, 122.15 ppm; 4.69 A): 4 out of 7 assignments used, quality = 0.94: * HG2 MET 21 + H ALA 22 OK 87 100 - 88 - 984=33, 3.0/967=31...(19) HB2 ASN 51 + H ALA 22 OK 35 98 - 36 - 2325/4.6=9, 3.5/6345=8...(7) HE3 LYS 90 + H ALA 22 OK 18 99 - 18 - 964/4.6=4, 6335/4.6=3...(8) HE3 LYS 73 + H ALA 22 OK 11 98 - 11 - 952/3.6=3, 6335/4.6=2...(4) HE2 LYS 73 - H ALA 22 lone 9 90 - 10 - 952/3.6=3, 6335/4.6=2...(4) HB2 ASN 10 - H ALA 22 lone 8 87 - 8 - 8490/6341=1...(3) HE3 LYS 13 - H ALA 22 lone 3 65 - 5 - Peak 6350 from nnoeabs.peaks (2.40, 8.81, 122.15 ppm; 4.79 A): 2 out of 4 assignments used, quality = 1.00: HB3 MET 21 + H ALA 22 OK 100 100 - 100 - 4.6=100 * HG3 MET 21 + H ALA 22 OK 85 100 - 85 - 3.0/967=32, 1.8/984=30...(14) HG2 GLN 50 - H ALA 22 OK 23 100 - 23 - 2298/3.6=7, 963/4.6=4...(8) HG3 MET 1 - H ALA 22 lone 4 65 - 7 - 6336/4.6=1 Peak 6351 from nnoeabs.peaks (2.10, 8.81, 122.15 ppm; 3.60 A): 4 out of 9 assignments used, quality = 0.85: * QE MET 21 + H ALA 22 OK 64 100 - 65 - 4.3/967=14, 3.4/984=12...(16) HB2 GLU 23 + H ALA 22 OK 48 87 - 56 - 4.0/6361=19, 3.0/10446=8...(13) HG3 GLU 104 + H ALA 22 OK 11 100 - 11 - 954/3.6=1, 966/4.6=1...(4) HB3 PRO 86 + H ALA 22 OK 10 98 - 11 - 954/3.6=2, 6337/4.6=2, 966/4.6=2 HB VAL 83 - H ALA 22 lone 7 81 - 9 - 9774/4.6=3, 954/3.6=2, 966/4.6=1 HB3 GLU 62 - H ALA 22 lone 7 92 - 8 - 6365/4.7=1 HB2 LEU 64 - H ALA 22 lone 5 81 - 7 - 10319/11002=1 HG3 GLU 37 - H ALA 22 lone 5 90 - 6 - 954/3.6=2, 966/4.6=1 HB3 GLU 35 - H ALA 22 lone 2 65 - 3 - Peak 6352 from nnoeabs.peaks (3.83, 8.81, 122.15 ppm; 3.08 A): 1 out of 5 assignments used, quality = 1.00: * HA ALA 22 + H ALA 22 OK 100 100 - 100 - 3.0=100 HA ARG 19 - H ALA 22 OK 23 70 - 34 - 3.6/6316=10, 4.9/8569=8...(7) HA SER 97 - H ALA 22 lone 9 92 - 10 - 10028/11002=2...(3) HB3 SER 102 - H ALA 22 lone 4 73 - 5 - 4.5/6354=1 HA ALA 71 - H ALA 22 lone 3 61 - 6 - 3.0/6354=1 Peak 6353 from nnoeabs.peaks (1.44, 8.81, 122.15 ppm; 2.71 A): 2 out of 8 assignments used, quality = 0.91: * QB ALA 22 + H ALA 22 OK 86 100 - 86 - 2.9=81, 3.6/6361=12...(10) HG LEU 29 + H ALA 22 OK 36 100 - 36 - 2.1/8690=7, 2.1/8692=6...(14) HG13 ILE 76 - H ALA 22 lone 9 100 - 9 - ~9648=2, 1003/3.0=1, 4.5/6355=1 HG3 LYS 39 - H ALA 22 lone 8 98 - 8 - 10568/8690=1 HG12 ILE 7 - H ALA 22 lone 6 90 - 7 - HG2 LYS 12 - H ALA 22 lone 4 92 - 5 - HG2 LYS 13 - H ALA 22 lone 2 99 - 2 - HG3 ARG 91 - H ALA 22 lone 1 70 - 2 - Peak 6354 from nnoeabs.peaks (8.28, 8.81, 122.15 ppm; 3.21 A): 3 out of 5 assignments used, quality = 0.82: * H GLU 23 + H ALA 22 OK 72 100 - 72 - 6361=36, 6363/2.9=16...(15) H LYS 94 + H ALA 22 OK 29 87 - 34 - 4.3/11002=11, 1004/3.0=4...(10) H LEU 103 + H ALA 22 OK 10 90 - 11 - 1011/2.9=2, 1004/3.0=2...(4) H ALA 71 - H ALA 22 poor 7 73 - 10 - 1011/2.9=1, 8532/3.6=1 H PHE 45 - H ALA 22 lone 4 73 - 5 - Peak 6355 from nnoeabs.peaks (7.57, 8.81, 122.15 ppm; 4.86 A): 3 out of 3 assignments used, quality = 0.94: * H LYS 24 + H ALA 22 OK 81 100 - 81 - 4.6/6361=29, 6374=25...(11) H GLU 88 + H ALA 22 OK 56 100 - 56 - 6374=17, 6369/4.7=11...(10) H ILE 76 + H ALA 22 OK 25 84 - 30 - 8590/3.0=8, 956/3.6=5...(9) Peak 6356 from nnoeabs.peaks (8.28, 8.28, 117.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 23 + H GLU 23 OK 100 100 - 100 Peak 6357 from nnoeabs.peaks (3.81, 8.28, 117.00 ppm; 3.96 A): 5 out of 5 assignments used, quality = 0.88: HA ALA 22 + H GLU 23 OK 70 70 - 100 - 3.6=100 * HA ARG 19 + H GLU 23 OK 31 100 - 31 - 786/4.7=10, 1007/3.6=8...(8) HA LYS 68 + H GLU 23 OK 23 99 - 23 - 3.6/10805=6, 786/4.7=5...(6) HB3 SER 102 + H GLU 23 OK 16 100 - 15 - 4465=3, 1.8/4460=2...(6) HA SER 97 + H GLU 23 OK 11 97 - 11 - 12338/5.0=2, 1007/3.6=2 Peak 6358 from nnoeabs.peaks (4.05, 8.28, 117.00 ppm; 4.04 A): 5 out of 5 assignments used, quality = 0.89: * HA LYS 20 + H GLU 23 OK 56 100 - 56 - 855=21, 3.6/6359=16...(9) HA GLU 16 + H GLU 23 OK 55 97 - 57 - 855=14, 1027/4.0=11...(15) HA GLU 17 + H GLU 23 OK 28 100 - 28 - 1027/4.0=5, 1019/4.0=5...(9) HB3 SER 59 + H GLU 23 OK 15 77 - 19 - 1.8/6364=3, 1027/4.0=3...(8) HB2 SER 49 + H GLU 23 OK 12 98 - 12 - 6372/4.6=2, 6344/4.7=2...(5) Peak 6359 from nnoeabs.peaks (7.68, 8.28, 117.00 ppm; 4.23 A): 3 out of 3 assignments used, quality = 0.78: * H MET 21 + H GLU 23 OK 68 100 - 68 - 6338/4.7=23, 6339=17...(13) H SER 85 + H GLU 23 OK 19 99 - 19 - 10951/4.6=5, 8588/3.6=4...(5) HD22 ASN 51 + H GLU 23 OK 17 100 - 17 - 6345/4.7=5, 8588/3.6=5...(5) Peak 6360 from nnoeabs.peaks (4.41, 8.28, 117.00 ppm; 4.94 A): 2 out of 9 assignments used, quality = 0.94: * HA MET 21 + H GLU 23 OK 83 100 - 84 - 3.6/6361=37, 3.0/6359=26...(13) HA ALA 25 + H GLU 23 OK 61 100 - 61 - 3.0/6370=31...(7) HA ILE 76 - H GLU 23 OK 16 70 - 23 - 3.0/6369=5, ~9650=4...(8) HA MET 74 - H GLU 23 OK 14 96 - 15 - 10448/3.6=3, 6346/4.7=2...(5) HA HIS 106 - H GLU 23 OK 13 99 - 13 - 955/4.7=3, 8532=2...(5) HA VAL 32 - H GLU 23 OK 10 100 - 10 - 10448/3.6=2, 6346/4.7=2 HA GLN 50 - H GLU 23 lone 7 84 - 8 - 6346/4.7=2, 10448/3.6=1 HA GLU 48 - H GLU 23 lone 6 70 - 8 - 3.6/6370=2 HA SER 9 - H GLU 23 lone 3 65 - 4 - Peak 6361 from nnoeabs.peaks (8.81, 8.28, 117.00 ppm; 3.44 A): 1 out of 3 assignments used, quality = 0.77: * H ALA 22 + H GLU 23 OK 77 100 - 77 - 4.7=40, 2.9/6363=18...(15) H SER 59 - H GLU 23 lone 5 65 - 8 - 4.0/6358=2, 4.0/6364=1 H ILE 8 - H GLU 23 lone 4 65 - 6 - 1008/3.6=2 Peak 6362 from nnoeabs.peaks (3.83, 8.28, 117.00 ppm; 3.96 A): 1 out of 5 assignments used, quality = 1.00: * HA ALA 22 + H GLU 23 OK 100 100 - 100 - 3.6=100 HA ARG 19 - H GLU 23 OK 14 70 - 21 - 1007/3.6=6, 786/4.7=5...(7) HA SER 97 - H GLU 23 OK 12 92 - 13 - 12338/5.0=3, 1009/3.6=2...(5) HB3 SER 102 - H GLU 23 poor 10 73 - 13 - 1.8/4460=2, 4.0/7642=2...(5) HA ALA 71 - H GLU 23 lone 5 61 - 8 - 3.6/7168=1 Peak 6363 from nnoeabs.peaks (1.44, 8.28, 117.00 ppm; 3.27 A): 3 out of 8 assignments used, quality = 0.92: * QB ALA 22 + H GLU 23 OK 89 100 - 89 - 3.6=75, 2.9/6361=22...(10) HG LEU 29 + H GLU 23 OK 17 100 - 17 - 1003/3.6=6, 6353/4.7=4...(4) HG13 ILE 76 + H GLU 23 OK 10 100 - 10 - 4.5/6369=2, 2.1/10887=2...(4) HG3 ARG 91 - H GLU 23 poor 8 70 - 12 - 2.9/6368=3, 10459/5.0=2...(4) HG2 LYS 13 - H GLU 23 lone 5 99 - 5 - HG3 LYS 39 - H GLU 23 lone 4 98 - 5 - HG2 LYS 12 - H GLU 23 lone 4 92 - 4 - HG12 ILE 7 - H GLU 23 lone 3 90 - 3 - 264/4.7=1 Peak 6364 from nnoeabs.peaks (4.15, 8.28, 117.00 ppm; 3.35 A): 1 out of 7 assignments used, quality = 1.00: * HA GLU 23 + H GLU 23 OK 100 100 - 100 - 3.0=100 HA GLN 72 - H GLU 23 OK 18 96 - 18 - 3.0/10824=3, 3.0/6366=2...(6) HA LYS 47 - H GLU 23 OK 12 100 - 12 - 6396/6370=1, 6377/4.6=1...(4) HB2 SER 59 - H GLU 23 OK 11 87 - 12 - 1.8/6358=2, 1021/4.0=2...(6) HA GLU 104 - H GLU 23 poor 9 57 - 16 - 3.0/7656=4, 4.1/6366=2...(8) HA LYS 13 - H GLU 23 lone 8 96 - 8 - HA MET 1 - H GLU 23 lone 5 90 - 6 - Peak 6365 from nnoeabs.peaks (2.09, 8.28, 117.00 ppm; 3.31 A): 4 out of 9 assignments used, quality = 0.94: * HB2 GLU 23 + H GLU 23 OK 86 100 - 86 - 4.0=54, 1.8/1028=19...(15) HB3 GLU 88 + H GLU 23 OK 27 94 - 29 - 3.9/6369=7, 3879/4.6=4...(9) QE MET 21 + H GLU 23 OK 27 87 - 31 - 1000/4.7=5, 6.1/6359=5...(10) HB2 GLU 16 + H GLU 23 OK 26 90 - 30 - 3.0/6358=7, 695/3.0=7...(9) HB3 GLU 62 - H GLU 23 OK 18 100 - 18 - 2.9/6367=3, 2.9/6367=3...(7) HG3 GLU 104 - H GLU 23 OK 16 90 - 18 - 1.8/6366=3, 4546/4.0=2...(7) HB3 GLU 35 - H GLU 23 lone 7 98 - 7 - 1020=2 HB3 LEU 38 - H GLU 23 lone 4 81 - 5 - ~10463=1, 1014/3.0=1 HB3 PRO 86 - H GLU 23 lone 4 65 - 5 - Peak 6366 from nnoeabs.peaks (2.15, 8.28, 117.00 ppm; 3.18 A): 6 out of 9 assignments used, quality = 0.93: * HB3 GLU 23 + H GLU 23 OK 81 100 - 81 - 4.0=48, 1.8/1020=20...(14) HB3 GLU 16 + H GLU 23 OK 23 87 - 27 - 3.0/6358=6, 703/3.0=4...(9) HB3 GLU 95 + H GLU 23 OK 22 99 - 23 - 1028=4, 1015/3.0=4...(9) HG2 GLU 88 + H GLU 23 OK 19 87 - 22 - 4.9/6369=4, 1.8/10457=3...(7) HG2 GLU 104 + H GLU 23 OK 16 98 - 16 - 1.8/6365=2, 4536/3.0=2...(5) HB2 GLN 72 + H GLU 23 OK 14 92 - 15 - 3.0/6364=3, 1.8/10824=3...(4) HB2 GLU 75 - H GLU 23 lone 3 65 - 4 - 4.1/6369=2 HG2 GLU 75 - H GLU 23 lone 1 61 - 2 - HG2 GLU 44 - H GLU 23 lone 1 61 - 1 - Peak 6367 from nnoeabs.peaks (2.27, 8.28, 117.00 ppm; 4.03 A): 3 out of 5 assignments used, quality = 0.95: * HG2 GLU 23 + H GLU 23 OK 89 100 - 89 - 5.0=52, 1.8/1042=29...(11) HG2 GLU 95 + H GLU 23 OK 34 100 - 35 - 1016/3.0=7, 1035=6...(11) HG3 GLU 62 + H GLU 23 OK 30 97 - 31 - 1016/3.0=6, 1024/4.0=5...(11) HG2 GLU 62 - H GLU 23 OK 30 97 - 31 - 1016/3.0=6, 1024/4.0=5...(11) HG2 GLU 37 - H GLU 23 lone 3 87 - 3 - Peak 6368 from nnoeabs.peaks (2.49, 8.28, 117.00 ppm; 3.66 A): 4 out of 8 assignments used, quality = 0.92: * HG3 GLU 23 + H GLU 23 OK 85 100 - 85 - 5.0=39, 2.9/1020=19...(14) HD2 ARG 91 + H GLU 23 OK 19 99 - 20 - 1017/3.0=4, 1033/4.0=3...(7) HB2 ASP 87 + H GLU 23 OK 19 97 - 20 - 4.6/6369=7, 1017/3.0=4...(7) HB3 ASP 87 + H GLU 23 OK 19 97 - 20 - 4.6/6369=7, 1017/3.0=4...(7) HB2 ASP 36 - H GLU 23 lone 3 77 - 3 - HB3 ASP 36 - H GLU 23 lone 3 73 - 3 - HB2 ASP 61 - H GLU 23 lone 1 61 - 2 - HG3 GLU 98 - H GLU 23 lone 1 70 - 1 - Peak 6369 from nnoeabs.peaks (7.57, 8.28, 117.00 ppm; 3.50 A): 3 out of 3 assignments used, quality = 0.92: * H LYS 24 + H GLU 23 OK 78 100 - 78 - 4.6=43, 4.6/6370=11...(14) H GLU 88 + H GLU 23 OK 54 100 - 54 - 6376=14, 1018/3.0=8...(16) H ILE 76 + H GLU 23 OK 17 84 - 20 - 8590/3.6=4, 1018/3.0=3...(10) Peak 6370 from nnoeabs.peaks (7.71, 8.28, 117.00 ppm; 4.49 A): 2 out of 3 assignments used, quality = 0.84: * H ALA 25 + H GLU 23 OK 82 100 - 83 - 6395=32, 1005/3.6=27...(11) H LEU 64 + H GLU 23 OK 11 97 - 11 - 1005/3.6=4, 6391/4.6=3 H SER 49 - H GLU 23 lone 6 77 - 8 - 3.9/6358=2, 6391/4.6=1 Peak 6371 from nnoeabs.peaks (7.57, 7.57, 119.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LYS 24 + H LYS 24 OK 100 100 - 100 H GLU 88 + H GLU 88 OK 99 99 - 100 Peak 6372 from nnoeabs.peaks (4.05, 7.57, 119.96 ppm; 3.60 A): 5 out of 10 assignments used, quality = 0.60: HA GLU 16 + H LYS 24 OK 25 97 - 26 - 1027/4.6=7, 1019/4.6=6...(7) * HA LYS 20 + H LYS 24 OK 20 100 - 20 - 855/4.6=7, 1027/4.6=4...(4) HA GLU 17 + H LYS 24 OK 14 100 - 14 - 1027/4.6=3, 1019/4.6=3...(4) HA GLU 16 + H GLU 88 OK 12 95 - 12 - 1027/1034=2, 1019/1026=1...(6) HA LYS 20 + H GLU 88 OK 11 99 - 11 - 855/6369=2, 856/3.9=1 HB2 SER 49 - H LYS 24 lone 10 98 - 10 - 2263/4.6=2, 6358/4.6=1 HB3 SER 59 - H LYS 24 poor 8 77 - 11 - 1027/4.6=2, 1019/4.6=2...(5) HA GLU 17 - H GLU 88 lone 8 99 - 8 - 2.9/7398=1 HB2 SER 49 - H GLU 88 lone 4 96 - 4 - HB3 SER 59 - H GLU 88 lone 3 74 - 4 - Peak 6373 from nnoeabs.peaks (4.41, 7.57, 119.96 ppm; 3.77 A): 7 out of 18 assignments used, quality = 0.93: HA ALA 25 + H LYS 24 OK 60 100 - 60 - 3.0/6397=20, 3.6/8606=12...(13) * HA MET 21 + H LYS 24 OK 43 100 - 44 - 956=13, 3.6/6374=9...(12) HA MET 21 + H GLU 88 OK 33 99 - 34 - 956=10, 3.6/6374=6...(8) HA ALA 25 + H GLU 88 OK 33 99 - 33 - 3.0/6397=12, 2.1/8607=7...(4) HA MET 74 + H LYS 24 OK 14 96 - 15 - 3329/4.0=2, 3329/4.0=2...(6) HA ILE 76 + H GLU 88 OK 11 67 - 16 - 3.0/3417=3, 3.8/3433=3...(8) HA ILE 76 + H LYS 24 OK 11 70 - 15 - 3.0/3417=2, 3.8/3433=2...(7) HA HIS 106 - H LYS 24 lone 8 99 - 8 - 956=2 HA VAL 32 - H LYS 24 lone 8 100 - 8 - 6393/4.6=1, 10145/5.1=1 HA MET 74 - H GLU 88 lone 7 93 - 7 - 3.6/7245=1 HA VAL 32 - H GLU 88 lone 5 99 - 5 - 1391/4.9=1 HA GLU 48 - H LYS 24 lone 4 70 - 6 - 3.6/6391=1 HA HIS 106 - H GLU 88 lone 3 98 - 3 - HA GLN 50 - H LYS 24 lone 3 84 - 3 - HA GLU 48 - H GLU 88 lone 2 67 - 3 - HA SER 9 - H LYS 24 lone 2 65 - 2 - HA GLN 50 - H GLU 88 lone 2 81 - 2 - HA SER 9 - H GLU 88 lone 1 63 - 2 - Peak 6374 from nnoeabs.peaks (8.81, 7.57, 119.96 ppm; 4.83 A): 2 out of 6 assignments used, quality = 0.91: * H ALA 22 + H LYS 24 OK 80 100 - 81 - 6361/4.6=29, 6355=25...(11) H ALA 22 + H GLU 88 OK 55 99 - 55 - 6355=17, 4.7/6369=11...(10) H SER 59 - H LYS 24 poor 9 65 - 13 - 4.0/6372=3, 8604/4.6=2...(5) H ILE 8 - H LYS 24 lone 6 65 - 8 - 3.6/8600=2, 6361/4.6=1 H ILE 8 - H GLU 88 lone 5 63 - 8 - 3.6/8600=3 H SER 59 - H GLU 88 lone 5 63 - 8 - 4.2/8602=1 Peak 6375 from nnoeabs.peaks (3.83, 7.57, 119.96 ppm; 5.02 A): 4 out of 10 assignments used, quality = 0.94: * HA ALA 22 + H LYS 24 OK 81 100 - 81 - 1005/4.6=26, 8590=23...(12) HA ALA 22 + H GLU 88 OK 57 99 - 58 - 8590=15, 3.6/6369=15...(12) HA SER 97 + H LYS 24 OK 16 92 - 17 - 6394/4.6=7, 6362/4.6=3...(4) HA ALA 71 + H LYS 24 OK 10 61 - 16 - ~12295=3, 6394/4.6=2...(6) HA SER 97 - H GLU 88 poor 10 89 - 11 - 4348/4.5=2, 6394/6397=2...(4) HA ARG 19 - H LYS 24 poor 9 70 - 13 - 6362/4.6=3, 786/6374=2...(5) HB3 SER 102 - H LYS 24 lone 7 73 - 10 - 4465/4.6=3, 4.5/6376=2...(4) HA ARG 19 - H GLU 88 poor 7 67 - 11 - 786/6355=1 HB3 SER 102 - H GLU 88 lone 6 71 - 8 - 4.0/7398=2, 1.8/8599=1 HA ALA 71 - H GLU 88 lone 5 59 - 8 - Peak 6376 from nnoeabs.peaks (8.28, 7.57, 119.96 ppm; 3.31 A): 4 out of 10 assignments used, quality = 0.90: * H GLU 23 + H LYS 24 OK 73 100 - 73 - 4.6=36, 3.0/6377=10...(14) H GLU 23 + H GLU 88 OK 51 99 - 51 - 6369=15, 3.0/1018=7...(16) H LYS 94 + H LYS 24 OK 16 87 - 19 - 12295/3.0=3, 6395/4.6=3...(5) H LYS 94 + H GLU 88 OK 15 84 - 18 - 7501/3.0=4, 7503/4.5=2...(5) H LEU 103 - H LYS 24 lone 8 90 - 9 - 1012/3.6=2, 1020/4.6=1 H ALA 71 - H LYS 24 lone 6 73 - 8 - 12295/3.0=2, 3.0/10829=1 H LEU 103 - H GLU 88 lone 4 87 - 5 - H PHE 45 - H LYS 24 lone 4 73 - 5 - 12295/3.0=1 H ALA 71 - H GLU 88 lone 3 71 - 4 - H PHE 45 - H GLU 88 lone 2 71 - 3 - Peak 6377 from nnoeabs.peaks (4.15, 7.57, 119.96 ppm; 3.43 A): 2 out of 14 assignments used, quality = 0.97: * HA GLU 23 + H LYS 24 OK 95 100 - 95 - 3.6=89, 3.0/6369=14...(12) HA GLU 23 + H GLU 88 OK 50 99 - 51 - 1018=12, 3.0/6369=9...(14) HA LYS 47 - H LYS 24 OK 19 100 - 19 - 6396/4.6=3, 2124/4.0=2...(5) HA GLN 72 - H LYS 24 OK 13 96 - 14 - 3.6/8591=3, 6396/4.6=2...(5) HA LYS 13 - H LYS 24 OK 11 96 - 12 - 6396/4.6=1 HA LYS 13 - H GLU 88 OK 11 93 - 12 - ~8393=2, 8391/3.0=2...(4) HB2 SER 59 - H LYS 24 lone 8 87 - 9 - 1.8/6372=2, 1021/4.6=1...(4) HA LYS 47 - H GLU 88 lone 8 98 - 8 - ~3869=2 HA GLU 104 - H GLU 88 poor 7 55 - 13 - 3.0/3872=3, 4522/3.9=2...(5) HA MET 1 - H LYS 24 lone 7 90 - 7 - HA GLN 72 - H GLU 88 lone 6 93 - 6 - HA GLU 104 - H LYS 24 lone 5 57 - 8 - 3.0/3872=1, 1021/4.6=1 HB2 SER 59 - H GLU 88 lone 3 84 - 4 - HA MET 1 - H GLU 88 lone 3 87 - 3 - Peak 6378 from nnoeabs.peaks (2.09, 7.57, 119.96 ppm; 2.84 A): 4 out of 18 assignments used, quality = 0.92: HB3 GLU 88 + H GLU 88 OK 58 92 - 63 - 3.9=40, 3.0/3886=8...(9) * HB2 GLU 23 + H LYS 24 OK 50 100 - 50 - 4.6=23, 1021/3.6=10...(7) HB2 GLU 23 + H GLU 88 OK 41 99 - 41 - 1026=7, 1.8/1034=7...(13) HB3 GLU 88 + H LYS 24 OK 34 94 - 36 - 3879=6, 3.0/3862=5...(10) HB3 PRO 86 - H GLU 88 OK 15 63 - 24 - 3.9/7386=7, 2.3/6382=3...(5) QE MET 21 - H GLU 88 OK 15 84 - 18 - 8543/3.0=4, 8538=3...(4) HB3 PRO 86 - H LYS 24 OK 14 65 - 22 - 3.9/7386=4, 2.3/6382=3...(8) HB2 GLU 16 - H LYS 24 OK 12 90 - 13 - 695/3.6=4, 3.0/6372=4...(5) QE MET 21 - H LYS 24 OK 11 87 - 13 - 5.3/956=3, 8538=2...(4) HG3 GLU 104 - H GLU 88 OK 11 87 - 13 - 1.8/7395=2, 4544/3.9=2...(4) HB3 GLU 35 - H GLU 88 poor 10 96 - 10 - 1026=2, 3865/3.0=1 HB3 GLU 62 - H LYS 24 lone 8 100 - 8 - 1014/3.6=2, 2.9/6380=1 HG3 GLU 104 - H LYS 24 lone 6 90 - 7 - 1014/3.6=1, 4546/4.6=1 HB2 GLU 16 - H GLU 88 lone 6 87 - 7 - 3.0/6372=2 HB3 GLU 62 - H GLU 88 lone 5 99 - 5 - HB3 GLU 35 - H LYS 24 lone 4 98 - 4 - HB3 LEU 38 - H GLU 88 lone 3 78 - 4 - HB3 LEU 38 - H LYS 24 lone 2 81 - 2 - Peak 6379 from nnoeabs.peaks (2.15, 7.57, 119.96 ppm; 3.00 A): 6 out of 18 assignments used, quality = 0.92: * HB3 GLU 23 + H LYS 24 OK 52 100 - 52 - 4.6=27, 1.8/1026=11...(6) HG2 GLU 88 + H GLU 88 OK 47 84 - 56 - 4.9=23, 3.0/3879=10...(9) HB3 GLU 23 + H GLU 88 OK 43 99 - 44 - 1.8/1026=8, 1034=8...(15) HG2 GLU 88 + H LYS 24 OK 27 87 - 31 - 3886=6, 3.0/3879=6...(9) HG2 GLU 104 + H GLU 88 OK 17 96 - 18 - 4537/3.9=3, 3866/3.0=3...(8) HB3 GLU 16 + H LYS 24 OK 12 87 - 14 - 3.0/6372=4, 703/3.6=3...(5) HB3 GLU 95 - H LYS 24 lone 10 99 - 10 - 1015/3.6=3, 1023/4.6=2...(5) HG2 GLU 104 - H LYS 24 lone 8 98 - 9 - 4536/3.6=2, 4540/4.6=1 HB2 GLN 72 - H LYS 24 lone 7 92 - 8 - 3192/3.6=2, 4.6/8591=2 HB3 GLU 16 - H GLU 88 lone 6 84 - 7 - 3.0/6372=2, 1.8/7394=1 HB3 GLU 95 - H GLU 88 lone 5 97 - 5 - HB2 GLU 75 - H GLU 88 lone 4 63 - 7 - HB2 GLN 72 - H GLU 88 lone 4 89 - 4 - HB2 GLU 75 - H LYS 24 lone 3 65 - 4 - HG2 GLU 75 - H GLU 88 lone 3 59 - 5 - HG2 GLU 75 - H LYS 24 lone 2 61 - 4 - HG2 GLU 44 - H GLU 88 lone 1 59 - 1 - HG2 GLU 44 - H LYS 24 lone 0 61 - 1 - Peak 6380 from nnoeabs.peaks (2.27, 7.57, 119.96 ppm; 4.52 A): 5 out of 10 assignments used, quality = 0.94: * HG2 GLU 23 + H LYS 24 OK 65 100 - 65 - 2.9/1034=18, 2.9/1026=18...(6) HG2 GLU 23 + H GLU 88 OK 63 99 - 64 - 1.8/1048=15, 2.9/1026=13...(13) HG2 GLU 95 + H LYS 24 OK 27 100 - 27 - 1016/3.6=7, 1024/4.6=5...(7) HG3 GLU 62 + H LYS 24 OK 23 97 - 24 - 1016/3.6=7, 1024/4.6=5...(7) HG2 GLU 62 + H LYS 24 OK 23 97 - 24 - 1016/3.6=7, 1024/4.6=5...(7) HG2 GLU 95 - H GLU 88 poor 10 99 - 10 - 1041=2, 6367/6369=1...(6) HG3 GLU 62 - H GLU 88 lone 8 95 - 9 - HG2 GLU 62 - H GLU 88 lone 8 95 - 9 - HG2 GLU 37 - H LYS 24 lone 5 87 - 5 - HG2 GLU 37 - H GLU 88 lone 2 84 - 3 - Peak 6381 from nnoeabs.peaks (2.49, 7.57, 119.96 ppm; 3.16 A): 5 out of 16 assignments used, quality = 0.95: HB3 ASP 87 + H GLU 88 OK 51 95 - 54 - 4.6=32, 3849/3.6=9...(8) HB2 ASP 87 + H GLU 88 OK 51 95 - 54 - 4.6=32, 3849/3.6=9...(8) * HG3 GLU 23 + H LYS 24 OK 45 100 - 45 - 1043/3.6=11, 2.9/1026=9...(8) HG3 GLU 23 + H GLU 88 OK 40 99 - 41 - 2.9/1026=7, 2.9/1034=7...(11) HD2 ARG 91 + H GLU 88 OK 34 98 - 35 - ~9960=8, 9961/3.0=8...(11) HB2 ASP 87 - H LYS 24 OK 22 97 - 23 - 3.0/7389=5, 4.0/7386=5...(8) HB3 ASP 87 - H LYS 24 OK 22 97 - 23 - 3.0/7389=5, 4.0/7386=5...(8) HD2 ARG 91 - H LYS 24 OK 12 99 - 12 - 1017/3.6=3, 1033/4.6=2...(4) HB2 ASP 36 - H GLU 88 lone 5 74 - 6 - 1.8/8796=2, 3.6/8772=2, 8796=1 HB3 ASP 36 - H GLU 88 lone 4 71 - 6 - 1.8/8796=2, 3.6/8772=2, 8796=1 HB2 ASP 36 - H LYS 24 lone 2 77 - 3 - HB3 ASP 36 - H LYS 24 lone 2 73 - 2 - HB2 ASP 61 - H LYS 24 lone 1 61 - 1 - HG3 GLU 98 - H LYS 24 lone 1 70 - 1 - HB2 ASP 61 - H GLU 88 lone 1 59 - 1 - HG3 GLU 98 - H GLU 88 lone 1 67 - 1 - Peak 6382 from nnoeabs.peaks (4.10, 7.57, 119.96 ppm; 3.15 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 24 + H LYS 24 OK 100 100 - 100 - 3.0=100 HA LYS 24 - H GLU 88 OK 42 99 - 43 - 1049=12, 3.6/6397=7...(13) HA PRO 86 - H GLU 88 OK 27 87 - 31 - 3.5/7386=10, 9854/4.6=6...(10) HA PRO 86 - H LYS 24 OK 24 90 - 27 - 3.5/7386=6, 6398/4.6=2...(11) Peak 6383 from nnoeabs.peaks (1.96, 7.57, 119.96 ppm; 2.71 A): 5 out of 22 assignments used, quality = 0.94: * HB2 LYS 24 + H LYS 24 OK 63 100 - 63 - 4.0=30, 1052/3.0=7...(16) HB3 LYS 24 + H LYS 24 OK 63 100 - 63 - 4.0=30, 1052/3.0=7...(16) HG3 GLU 88 + H GLU 88 OK 26 59 - 44 - 4.9=17, 1.8/3886=9...(7) HB3 LYS 24 + H GLU 88 OK 25 99 - 25 - 3.0/1049=5, 1061=4...(7) HB2 LYS 24 + H GLU 88 OK 25 99 - 25 - 3.0/1049=5, 1061=4...(7) HB2 LYS 73 - H LYS 24 OK 15 99 - 15 - 1061=2, 1052/3.0=2...(4) HB3 LYS 73 - H LYS 24 OK 15 98 - 15 - 1073=2, 1052/3.0=2...(4) HG3 GLU 88 - H LYS 24 OK 13 61 - 21 - 1.8/3886=5, 3.0/3879=4...(6) HB2 LYS 47 - H LYS 24 lone 9 98 - 9 - 1052/3.0=1, 3.0/6377=1 HB2 LYS 73 - H GLU 88 lone 6 97 - 6 - HB3 LYS 73 - H GLU 88 lone 5 96 - 6 - HB3 MET 74 - H LYS 24 lone 5 100 - 5 - HB2 LYS 47 - H GLU 88 lone 4 96 - 4 - HB3 ARG 46 - H GLU 88 lone 4 98 - 4 - HB3 MET 74 - H GLU 88 lone 4 99 - 4 - HB3 ARG 46 - H LYS 24 lone 3 100 - 3 - HB2 ARG 46 - H GLU 88 lone 3 84 - 3 - HB2 ARG 46 - H LYS 24 lone 2 87 - 3 - HB2 GLU 37 - H GLU 88 lone 1 74 - 2 - HB2 GLU 37 - H LYS 24 lone 1 77 - 2 - QE MET 1 - H LYS 24 lone 1 81 - 1 - QE MET 1 - H GLU 88 lone 1 78 - 1 - Peak 6384 from nnoeabs.peaks (1.96, 7.57, 119.96 ppm; 2.71 A): 5 out of 22 assignments used, quality = 0.94: HB2 LYS 24 + H LYS 24 OK 63 100 - 63 - 4.0=30, 1052/3.0=7...(16) * HB3 LYS 24 + H LYS 24 OK 63 100 - 63 - 4.0=30, 1052/3.0=7...(16) HG3 GLU 88 + H GLU 88 OK 26 59 - 44 - 4.9=17, 1.8/3886=9...(7) HB3 LYS 24 + H GLU 88 OK 25 99 - 25 - 3.0/1049=5, 1061=4...(7) HB2 LYS 24 + H GLU 88 OK 25 99 - 25 - 3.0/1049=5, 1061=4...(7) HB2 LYS 73 - H LYS 24 OK 15 99 - 15 - 1061=2, 1052/3.0=2...(4) HB3 LYS 73 - H LYS 24 OK 15 98 - 15 - 1073=2, 1052/3.0=2...(4) HG3 GLU 88 - H LYS 24 OK 13 61 - 21 - 1.8/3886=5, 3.0/3879=4...(6) HB2 LYS 47 - H LYS 24 lone 9 98 - 9 - 1052/3.0=1, 3.0/6377=1 HB2 LYS 73 - H GLU 88 lone 6 97 - 6 - HB3 LYS 73 - H GLU 88 lone 5 96 - 6 - HB3 MET 74 - H LYS 24 lone 5 100 - 5 - HB2 LYS 47 - H GLU 88 lone 4 96 - 4 - HB3 ARG 46 - H GLU 88 lone 4 98 - 4 - HB3 MET 74 - H GLU 88 lone 4 99 - 4 - HB3 ARG 46 - H LYS 24 lone 3 100 - 3 - HB2 ARG 46 - H GLU 88 lone 3 84 - 3 - HB2 ARG 46 - H LYS 24 lone 2 87 - 3 - HB2 GLU 37 - H GLU 88 lone 1 74 - 2 - HB2 GLU 37 - H LYS 24 lone 1 77 - 2 - QE MET 1 - H LYS 24 lone 1 81 - 1 - QE MET 1 - H GLU 88 lone 1 78 - 1 - Peak 6385 from nnoeabs.peaks (1.59, 7.57, 119.96 ppm; 3.79 A): 3 out of 26 assignments used, quality = 0.96: * HG2 LYS 24 + H LYS 24 OK 86 100 - 86 - 5.1=42, 1.8/1095=17...(22) HG3 LYS 90 + H GLU 88 OK 58 99 - 58 - 2.8/8603=11, 9910/3.6=10...(17) HG2 LYS 24 + H GLU 88 OK 41 99 - 41 - 3.7/1049=8, 1.8/1095=7...(14) HG3 LYS 90 - H LYS 24 OK 29 100 - 30 - 2.8/8603=4, 4.9/7411=4...(9) HG3 LYS 73 - H LYS 24 OK 22 87 - 26 - 1053/3.0=4, 4.9/8591=3...(12) HG3 LYS 12 - H LYS 24 OK 18 96 - 19 - 1053/3.0=3, 1084=2...(6) HB2 LEU 103 - H LYS 24 OK 12 100 - 12 - 4474/4.6=5, 4.0/6376=1 HG LEU 103 - H LYS 24 OK 11 99 - 11 - 4490/4.6=4 HD3 LYS 94 - H LYS 24 OK 10 87 - 12 - 6401/4.6=2, 4241/4.6=2...(5) HG2 ARG 19 - H GLU 88 OK 10 99 - 10 - 12291/4.6=2, 12291/4.6=2...(4) HG LEU 27 - H LYS 24 poor 10 87 - 11 - 6401/4.6=3, 10458/4.6=1...(4) HG3 LYS 73 - H GLU 88 lone 8 84 - 9 - ~3870=1 HG2 ARG 19 - H LYS 24 lone 8 100 - 8 - 12291/1048=1 HG3 LYS 12 - H GLU 88 lone 7 93 - 7 - 9910/3.6=1 HD3 LYS 94 - H GLU 88 lone 7 84 - 8 - 9910/3.6=2, 3.0/8592=1 HD2 LYS 66 - H LYS 24 lone 7 77 - 9 - HB3 LEU 29 - H LYS 24 lone 6 92 - 6 - 10458/4.6=2 HG LEU 27 - H GLU 88 lone 5 84 - 6 - HB2 LEU 103 - H GLU 88 lone 5 99 - 4 - HD2 LYS 66 - H GLU 88 lone 4 74 - 6 - HG LEU 103 - H GLU 88 lone 4 98 - 4 - HB3 LEU 29 - H GLU 88 lone 4 89 - 4 - HB2 ARG 30 - H LYS 24 lone 2 70 - 3 - HB2 ARG 30 - H GLU 88 lone 2 67 - 3 - HB2 ARG 79 - H LYS 24 lone 2 81 - 2 - HB2 ARG 79 - H GLU 88 lone 2 78 - 2 - Peak 6386 from nnoeabs.peaks (1.51, 7.57, 119.96 ppm; 4.11 A): 2 out of 28 assignments used, quality = 0.94: * HG3 LYS 24 + H LYS 24 OK 89 100 - 89 - 5.1=53, 1096/3.0=28...(19) HG3 LYS 24 + H GLU 88 OK 41 99 - 41 - 1095=11, 3.7/1049=9...(13) HB2 LEU 14 - H LYS 24 OK 26 81 - 32 - ~8420=5, ~8422=5...(10) HG2 LYS 73 - H LYS 24 OK 19 73 - 26 - 1054/3.0=3, 4.9/8591=3...(12) HG3 LYS 13 - H LYS 24 OK 17 90 - 19 - 1054/3.0=2, 3.0/1117=2...(11) HG2 LYS 47 - H LYS 24 OK 14 70 - 21 - 1054/3.0=3, 3.9/6377=2...(4) HG3 LYS 13 - H GLU 88 OK 12 87 - 14 - ~8393=3, 3870/3.0=2, 3.9/6377=1 HG LEU 2 - H LYS 24 OK 11 97 - 12 - 1054/3.0=2, 6402/4.6=2...(4) HG3 LYS 33 - H LYS 24 OK 11 99 - 11 - 1095=3, 1096/3.0=3...(4) HB2 LEU 14 - H GLU 88 OK 10 78 - 13 - 3.1/8602=4, 3.0/8592=1 HB3 LEU 103 - H LYS 24 poor 8 77 - 10 - 4482/4.6=3, 4.0/6376=1 HG2 LYS 47 - H GLU 88 poor 8 67 - 12 - 3870/3.0=2, ~4034=1, ~3871=1 HG LEU 57 - H GLU 88 lone 7 95 - 8 - 3.0/8603=2, 2628/3.9=1 HG2 LYS 73 - H GLU 88 lone 6 71 - 9 - 3870/3.0=1 HG3 LYS 66 - H LYS 24 lone 6 77 - 8 - HB3 LEU 64 - H LYS 24 lone 6 65 - 9 - 3.9/6391=3, 2818/4.6=2 HG LEU 2 - H GLU 88 lone 5 95 - 6 - HB3 LEU 64 - H GLU 88 lone 5 63 - 8 - ~10245=2, 3.9/6391=2 HG2 LYS 66 - H LYS 24 lone 5 70 - 7 - HB ILE 7 - H GLU 88 lone 5 78 - 6 - 3.0/8600=2 HB ILE 7 - H LYS 24 lone 5 81 - 6 - 3.0/8600=1 HG LEU 57 - H LYS 24 lone 4 97 - 4 - 3.0/8603=1 HG3 LYS 66 - H GLU 88 lone 4 74 - 5 - HG2 LYS 66 - H GLU 88 lone 3 67 - 5 - HG3 LYS 33 - H GLU 88 lone 3 98 - 3 - HB3 LEU 103 - H GLU 88 lone 3 74 - 4 - HG LEU 6 - H GLU 88 lone 2 67 - 4 - 2.1/8602=1 HG LEU 6 - H LYS 24 lone 2 70 - 4 - Peak 6387 from nnoeabs.peaks (1.70, 7.57, 119.96 ppm; 4.08 A): 4 out of 36 assignments used, quality = 0.99: HD3 LYS 24 + H LYS 24 OK 80 100 - 80 - 6.3=27, 3.0/1095=16...(19) * HD2 LYS 24 + H LYS 24 OK 80 100 - 80 - 6.3=27, 3.0/1095=16...(19) HB3 ARG 91 + H GLU 88 OK 52 81 - 64 - ~4024=12, ~3870=11...(17) HD3 LYS 90 + H GLU 88 OK 51 99 - 52 - 3.6/8603=10, 9909/3.6=9...(14) HD3 LYS 24 - H GLU 88 OK 37 99 - 38 - 3.0/1095=7, 4.9/1049=6...(15) HD2 LYS 24 - H GLU 88 OK 37 99 - 38 - 3.0/1095=7, 4.9/1049=6...(15) HG2 PRO 86 - H LYS 24 OK 33 100 - 33 - 3831/3.0=5, 3.8/6382=4...(12) HG2 PRO 86 - H GLU 88 OK 29 98 - 30 - 3.8/6382=4, 3838/4.5=4...(9) HD3 LYS 90 - H LYS 24 OK 25 100 - 26 - 3.6/8603=4, 6.1/7411=3...(11) HD2 LYS 13 - H LYS 24 OK 24 99 - 25 - 1118/3.0=3, 1117=2...(13) HD3 LYS 13 - H LYS 24 OK 24 97 - 24 - 1118/3.0=3, 1117=2...(13) HD2 LYS 12 - H LYS 24 OK 23 99 - 24 - 1056/3.0=2, 1117=2...(11) HD3 LYS 12 - H LYS 24 OK 23 99 - 24 - 1056/3.0=2, 1117=2...(11) HD3 LYS 47 - H LYS 24 OK 17 81 - 21 - ~12306=3, 1055/3.0=2...(9) HD2 LYS 47 - H LYS 24 OK 16 77 - 21 - ~12306=3, 1055/3.0=2...(9) HB2 LEU 2 - H LYS 24 OK 13 98 - 13 - 4.6/8591=2, 1.8/8592=2...(5) HD2 LYS 13 - H GLU 88 OK 12 97 - 12 - ~3870=2, 3871/3.0=1...(4) HD3 LYS 47 - H GLU 88 OK 12 78 - 15 - 4034/3.0=2, ~4034=2...(5) HD3 LYS 13 - H GLU 88 OK 11 95 - 12 - ~3870=2, 3.0/6386=1 HG12 ILE 15 - H GLU 88 OK 11 99 - 11 - 2.1/8437=1, 2.9/8440=1 HD2 LYS 47 - H GLU 88 OK 11 74 - 15 - 4034/3.0=2, ~4034=2...(5) HB3 ARG 91 - H LYS 24 OK 10 84 - 13 - 4.3/7388=2, 3.5/6381=1...(4) HG12 ILE 15 - H LYS 24 lone 8 100 - 8 - 2.1/8437=1 HD2 LYS 12 - H GLU 88 lone 8 97 - 9 - HD3 LYS 12 - H GLU 88 lone 8 97 - 9 - HD3 LYS 66 - H LYS 24 lone 8 98 - 8 - HB2 LEU 2 - H GLU 88 lone 8 96 - 8 - 1.8/8592=1, 4.6/8591=1 HD3 LYS 66 - H GLU 88 lone 7 96 - 7 - HD2 LYS 20 - H GLU 88 lone 5 63 - 8 - 5.3/6372=2, 4034/3.0=1 HB3 LYS 53 - H GLU 88 lone 5 89 - 5 - HG LEU 70 - H LYS 24 lone 5 100 - 5 - HG LEU 70 - H GLU 88 lone 5 98 - 5 - HD2 LYS 20 - H LYS 24 lone 4 65 - 7 - 5.3/6372=3 HB3 LYS 53 - H LYS 24 lone 3 92 - 4 - HB3 LYS 40 - H LYS 24 lone 2 87 - 2 - HB3 LYS 40 - H GLU 88 lone 2 84 - 2 - Peak 6388 from nnoeabs.peaks (1.70, 7.57, 119.96 ppm; 4.08 A): 4 out of 38 assignments used, quality = 0.99: * HD3 LYS 24 + H LYS 24 OK 80 100 - 80 - 6.3=27, 3.0/1095=16...(19) HD2 LYS 24 + H LYS 24 OK 80 100 - 80 - 6.3=27, 3.0/1095=16...(19) HD3 LYS 90 + H GLU 88 OK 51 99 - 52 - 3.6/8603=10, 9909/3.6=10...(14) HB3 ARG 91 + H GLU 88 OK 50 78 - 64 - ~4024=12, ~3870=11...(17) HD3 LYS 24 - H GLU 88 OK 37 99 - 38 - 3.0/1095=7, 4.9/1049=6...(15) HD2 LYS 24 - H GLU 88 OK 37 99 - 38 - 3.0/1095=7, 4.9/1049=6...(15) HG2 PRO 86 - H LYS 24 OK 33 99 - 33 - 3831/3.0=5, 3.8/6382=4...(12) HG2 PRO 86 - H GLU 88 OK 29 98 - 30 - 3.8/6382=4, 3838/4.5=4...(9) HD3 LYS 90 - H LYS 24 OK 26 100 - 26 - 3.6/8603=4, 6.1/7411=3...(11) HD2 LYS 13 - H LYS 24 OK 25 99 - 25 - 1118/3.0=3, 1117=2...(13) HD3 LYS 13 - H LYS 24 OK 24 98 - 24 - 1118/3.0=3, 1117=2...(13) HD2 LYS 12 - H LYS 24 OK 24 99 - 24 - 1056/3.0=2, 1117=2...(11) HD3 LYS 12 - H LYS 24 OK 24 99 - 24 - 1056/3.0=2, 1117=2...(11) HD3 LYS 47 - H LYS 24 OK 16 77 - 21 - ~12306=3, 1055/3.0=2...(9) HD2 LYS 47 - H LYS 24 OK 15 73 - 21 - ~12306=3, 1055/3.0=2...(9) HB2 LEU 2 - H LYS 24 OK 13 99 - 13 - 4.6/8591=2, 1.8/8592=2...(5) HD2 LYS 13 - H GLU 88 OK 12 98 - 12 - ~3870=2, 3871/3.0=1...(4) HD3 LYS 13 - H GLU 88 OK 11 96 - 12 - ~3870=2, 3.0/6386=1 HG12 ILE 15 - H GLU 88 OK 11 98 - 11 - 2.1/8437=1, 2.9/8440=1 HD3 LYS 47 - H GLU 88 OK 11 74 - 15 - 4034/3.0=2, ~4034=2...(5) HD2 LYS 47 - H GLU 88 OK 10 71 - 14 - 4034/3.0=2, ~4034=2...(5) HB3 ARG 91 - H LYS 24 poor 10 81 - 12 - 4.3/7388=2, 3.5/6381=1...(4) HD2 LYS 12 - H GLU 88 lone 9 98 - 9 - HD3 LYS 12 - H GLU 88 lone 9 98 - 9 - HG12 ILE 15 - H LYS 24 lone 8 100 - 8 - 2.1/8437=1 HB2 LEU 2 - H GLU 88 lone 8 97 - 8 - 1.8/8592=1, 4.6/8591=1 HD3 LYS 66 - H LYS 24 lone 8 99 - 8 - HD3 LYS 66 - H GLU 88 lone 7 97 - 7 - HD2 LYS 20 - H GLU 88 lone 5 59 - 8 - 5.3/6372=2 HG LEU 70 - H LYS 24 lone 5 100 - 5 - HB3 LYS 53 - H GLU 88 lone 5 87 - 5 - HG LEU 70 - H GLU 88 lone 5 99 - 5 - HD2 LYS 20 - H LYS 24 lone 4 61 - 7 - 5.3/6372=3 HB3 LYS 53 - H LYS 24 lone 3 90 - 4 - HB3 LEU 70 - H LYS 24 lone 3 61 - 4 - HB3 LEU 70 - H GLU 88 lone 2 59 - 4 - 9909/3.6=1 HB3 LYS 40 - H LYS 24 lone 2 84 - 2 - HB3 LYS 40 - H GLU 88 lone 2 81 - 2 - Peak 6389 from nnoeabs.peaks (2.96, 7.57, 119.96 ppm; 5.56 A): 2 out of 22 assignments used, quality = 0.98: * HE2 LYS 24 + H LYS 24 OK 86 100 - 86 - 7.4=43, 3.7/1095=23...(15) HE3 LYS 24 + H LYS 24 OK 86 100 - 86 - 7.4=43, 3.7/1095=23...(15) HE2 LYS 24 - H GLU 88 OK 41 99 - 42 - 3.7/1095=10, 6.2/1049=8...(10) HE3 LYS 24 - H GLU 88 OK 41 99 - 42 - 3.7/1095=10, 6.2/1049=8...(10) HE2 LYS 13 - H LYS 24 OK 36 100 - 36 - 1058/3.0=4, 1139=3...(17) HE3 LYS 13 - H LYS 24 OK 36 99 - 36 - 1058/3.0=4, 1139=3...(17) HE2 LYS 47 - H LYS 24 OK 29 87 - 33 - ~12306=8, 12306/3.0=4...(15) HE3 LYS 47 - H LYS 24 OK 29 87 - 33 - ~12306=8, 12306/3.0=4...(15) HE3 LYS 12 - H LYS 24 OK 26 100 - 26 - 1104/5.1=2, 4.0/1084=2...(13) HE2 LYS 73 - H LYS 24 OK 23 90 - 26 - 7.0/8591=4, 1058/3.0=3...(12) HE3 LYS 73 - H LYS 24 OK 19 73 - 26 - 7.0/8591=4, 1058/3.0=3...(12) HE2 LYS 13 - H GLU 88 OK 14 99 - 14 - 3.8/6386=1, 6.0/6377=1...(8) HE3 LYS 13 - H GLU 88 OK 14 98 - 14 - 3.8/6386=1, 6.0/6377=1...(8) HE3 LYS 47 - H GLU 88 OK 10 84 - 12 - ~4034=3, ~3871=2 HE2 LYS 47 - H GLU 88 OK 10 84 - 12 - ~4034=3, ~3871=2 HE2 LYS 73 - H GLU 88 lone 7 87 - 8 - 7.0/8591=1 HE3 LYS 12 - H GLU 88 lone 7 98 - 8 - HB3 PHE 45 - H LYS 24 lone 6 99 - 6 - HE3 LYS 73 - H GLU 88 lone 6 71 - 8 - 7.0/8591=1 HB3 PHE 45 - H GLU 88 lone 5 97 - 5 - HB2 ASN 51 - H LYS 24 lone 4 73 - 5 - HB2 ASN 51 - H GLU 88 lone 3 71 - 4 - Peak 6390 from nnoeabs.peaks (2.96, 7.57, 119.96 ppm; 5.56 A): 2 out of 22 assignments used, quality = 0.98: HE2 LYS 24 + H LYS 24 OK 86 100 - 86 - 7.4=43, 3.7/1095=23...(15) * HE3 LYS 24 + H LYS 24 OK 86 100 - 86 - 7.4=43, 3.7/1095=23...(15) HE2 LYS 24 - H GLU 88 OK 41 99 - 42 - 3.7/1095=10, 6.2/1049=8...(10) HE3 LYS 24 - H GLU 88 OK 41 99 - 42 - 3.7/1095=10, 6.2/1049=8...(10) HE2 LYS 13 - H LYS 24 OK 36 100 - 36 - 1058/3.0=4, 1139=3...(17) HE3 LYS 13 - H LYS 24 OK 36 99 - 36 - 1058/3.0=4, 1139=3...(17) HE2 LYS 47 - H LYS 24 OK 29 87 - 33 - ~12306=8, 12306/3.0=4...(15) HE3 LYS 47 - H LYS 24 OK 29 87 - 33 - ~12306=8, 12306/3.0=4...(15) HE3 LYS 12 - H LYS 24 OK 26 100 - 26 - 1104/5.1=2, 4.0/1084=2...(13) HE2 LYS 73 - H LYS 24 OK 23 90 - 26 - 7.0/8591=4, 1058/3.0=3...(12) HE3 LYS 73 - H LYS 24 OK 19 73 - 26 - 7.0/8591=4, 1058/3.0=3...(12) HE2 LYS 13 - H GLU 88 OK 14 99 - 14 - 3.8/6386=1, 6.0/6377=1...(8) HE3 LYS 13 - H GLU 88 OK 14 98 - 14 - 3.8/6386=1, 6.0/6377=1...(8) HE3 LYS 47 - H GLU 88 OK 10 84 - 12 - ~4034=3, ~3871=2 HE2 LYS 47 - H GLU 88 OK 10 84 - 12 - ~4034=3, ~3871=2 HE2 LYS 73 - H GLU 88 lone 7 87 - 8 - 7.0/8591=1 HE3 LYS 12 - H GLU 88 lone 7 98 - 8 - HB3 PHE 45 - H LYS 24 lone 6 99 - 6 - HE3 LYS 73 - H GLU 88 lone 6 71 - 8 - 7.0/8591=1 HB3 PHE 45 - H GLU 88 lone 5 97 - 5 - HB2 ASN 51 - H LYS 24 lone 4 73 - 5 - HB2 ASN 51 - H GLU 88 lone 3 71 - 4 - Peak 6391 from nnoeabs.peaks (7.71, 7.57, 119.96 ppm; 3.21 A): 3 out of 6 assignments used, quality = 0.88: * H ALA 25 + H LYS 24 OK 74 100 - 74 - 4.6=33, 6398/3.0=18...(17) H ALA 25 + H GLU 88 OK 48 99 - 48 - 6397=18, 10299/3.9=6...(16) H LEU 64 + H LYS 24 OK 14 97 - 14 - 1059/3.0=3, 1105/5.1=2...(5) H LEU 64 - H GLU 88 lone 8 95 - 8 - 10299/3.9=1 H SER 49 - H LYS 24 lone 6 77 - 8 - 3.9/6372=1, 1059/3.0=1 H SER 49 - H GLU 88 lone 2 74 - 3 - Peak 6392 from nnoeabs.peaks (7.71, 7.71, 119.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 25 + H ALA 25 OK 100 100 - 100 Peak 6393 from nnoeabs.peaks (4.41, 7.71, 119.26 ppm; 3.09 A): 1 out of 9 assignments used, quality = 1.00: HA ALA 25 + H ALA 25 OK 100 100 - 100 - 3.0=100 ! HA MET 21 - H ALA 25 OK 27 100 - 27 - 3.6/8604=9, 956/4.6=4...(9) HA MET 74 - H ALA 25 OK 12 96 - 12 - 1156/2.9=2, 3.0/6400=1 HA VAL 32 - H ALA 25 lone 9 100 - 9 - 3.2/8936=2, 1156/2.9=1 HA GLU 48 - H ALA 25 lone 6 70 - 9 - 3.0/6795=1, 1156/2.9=1 HA HIS 106 - H ALA 25 lone 5 99 - 5 - HA ILE 76 - H ALA 25 lone 4 70 - 5 - 3.0/6397=2 HA GLN 50 - H ALA 25 lone 3 84 - 4 - HA SER 9 - H ALA 25 lone 1 65 - 1 - Peak 6394 from nnoeabs.peaks (3.83, 7.71, 119.26 ppm; 3.86 A): 2 out of 5 assignments used, quality = 0.82: * HA ALA 22 + H ALA 25 OK 76 100 - 76 - 1005=36, 1154/2.9=21...(11) HA SER 97 + H ALA 25 OK 25 92 - 27 - 1154/2.9=10, ~10130=3...(8) HA ALA 71 - H ALA 25 poor 8 61 - 14 - 8608/4.6=3, 1154/2.9=3...(4) HA ARG 19 - H ALA 25 lone 6 70 - 9 - 4.9/8496=2, 786/8604=2 HB3 SER 102 - H ALA 25 lone 3 73 - 4 - 4.5/6395=1 Peak 6395 from nnoeabs.peaks (8.28, 7.71, 119.26 ppm; 3.89 A): 2 out of 5 assignments used, quality = 0.80: * H GLU 23 + H ALA 25 OK 73 100 - 74 - 6370=27, 3.6/1005=20...(11) H LYS 94 + H ALA 25 OK 23 87 - 27 - ~10334=5, 12295/3.6=4...(9) H ALA 71 - H ALA 25 poor 9 73 - 12 - 12295/3.6=3, 3.0/6394=2...(4) H LEU 103 - H ALA 25 lone 7 90 - 8 - 4.0/6401=1, 6376/4.6=1 H PHE 45 - H ALA 25 lone 3 73 - 4 - 12295/3.6=1 Peak 6396 from nnoeabs.peaks (4.15, 7.71, 119.26 ppm; 3.82 A): 3 out of 7 assignments used, quality = 0.67: * HA GLU 23 + H ALA 25 OK 50 100 - 50 - 3.0/6370=19, 3.6/6397=17...(11) HA LYS 47 + H ALA 25 OK 23 100 - 23 - 8609/4.6=3, 2124/4.4=3...(10) HA GLN 72 + H ALA 25 OK 15 96 - 16 - 3.6/6409=6, 8609/4.6=3...(4) HA LYS 13 - H ALA 25 lone 8 96 - 8 - HA MET 1 - H ALA 25 lone 7 90 - 8 - 8009/2.9=1, 7/4.4=1, 7/4.4=1 HB2 SER 59 - H ALA 25 lone 4 87 - 5 - 4.0/8604=1 HA GLU 104 - H ALA 25 lone 4 57 - 6 - Peak 6397 from nnoeabs.peaks (7.57, 7.71, 119.26 ppm; 3.13 A): 2 out of 3 assignments used, quality = 0.84: * H LYS 24 + H ALA 25 OK 72 100 - 72 - 4.6=31, 3.0/6398=17...(16) H GLU 88 + H ALA 25 OK 45 100 - 45 - 6391=15, 3.9/10299=6...(16) H ILE 76 - H ALA 25 lone 8 84 - 10 - 1049/3.6=1, 8590/1005=1 Peak 6398 from nnoeabs.peaks (4.10, 7.71, 119.26 ppm; 3.54 A): 1 out of 2 assignments used, quality = 0.99: * HA LYS 24 + H ALA 25 OK 99 100 - 99 - 3.6=97, 3.0/6397=18...(19) HA PRO 86 - H ALA 25 OK 23 90 - 26 - 2.3/8612=4, 10474/3.0=4...(8) Peak 6399 from nnoeabs.peaks (1.96, 7.71, 119.26 ppm; 3.09 A): 2 out of 11 assignments used, quality = 0.93: HB3 LYS 24 + H ALA 25 OK 73 100 - 73 - 4.4=35, 3.0/6398=17...(18) * HB2 LYS 24 + H ALA 25 OK 73 100 - 73 - 4.4=35, 3.0/6398=17...(18) HB2 LYS 73 - H ALA 25 OK 19 99 - 20 - 1071=3, 4.1/6409=3...(6) HB3 LYS 73 - H ALA 25 OK 19 98 - 19 - 1071=3, 4.1/6409=3...(6) HB2 LYS 47 - H ALA 25 OK 14 98 - 14 - 3.0/6396=4, 1083=2...(4) HG3 GLU 88 - H ALA 25 OK 13 61 - 21 - 3.0/10299=7, 4.9/6397=4...(7) HB3 MET 74 - H ALA 25 OK 13 100 - 13 - 3.0/6393=2, 3343/3.0=2...(5) HB3 ARG 46 - H ALA 25 lone 5 100 - 5 - HB2 GLU 37 - H ALA 25 lone 5 77 - 6 - HB2 ARG 46 - H ALA 25 lone 4 87 - 5 - QE MET 1 - H ALA 25 lone 3 81 - 3 - Peak 6400 from nnoeabs.peaks (1.96, 7.71, 119.26 ppm; 3.09 A): 2 out of 11 assignments used, quality = 0.93: * HB3 LYS 24 + H ALA 25 OK 73 100 - 73 - 4.4=35, 3.0/6398=17...(18) HB2 LYS 24 + H ALA 25 OK 73 100 - 73 - 4.4=35, 3.0/6398=17...(18) HB2 LYS 73 - H ALA 25 OK 19 99 - 20 - 1071=3, 4.1/6409=3...(6) HB3 LYS 73 - H ALA 25 OK 19 98 - 19 - 1071=3, 4.1/6409=3...(6) HB2 LYS 47 - H ALA 25 OK 14 98 - 14 - 3.0/6396=4, 1083=2...(4) HG3 GLU 88 - H ALA 25 OK 13 61 - 21 - 3.0/10299=7, 4.9/6397=4...(7) HB3 MET 74 - H ALA 25 OK 13 100 - 13 - 3.0/6393=2, 3343/3.0=2...(5) HB3 ARG 46 - H ALA 25 lone 5 100 - 5 - HB2 GLU 37 - H ALA 25 lone 5 77 - 6 - HB2 ARG 46 - H ALA 25 lone 4 87 - 5 - QE MET 1 - H ALA 25 lone 3 81 - 3 - Peak 6401 from nnoeabs.peaks (1.59, 7.71, 119.26 ppm; 4.18 A): 4 out of 13 assignments used, quality = 0.93: * HG2 LYS 24 + H ALA 25 OK 80 100 - 80 - 3.7/6398=25, 1.8/1105=16...(16) HG LEU 27 + H ALA 25 OK 41 87 - 47 - 5.0/10489=12, 2.1/8613=8...(13) HD3 LYS 94 + H ALA 25 OK 24 87 - 28 - ~8622=7, 4245/2.9=3...(9) HG3 LYS 73 + H ALA 25 OK 24 87 - 27 - 4.9/6409=4, 1053/3.6=4...(11) HG3 LYS 90 - H ALA 25 OK 18 100 - 19 - 1053/3.6=3, 1094=3...(4) HG3 LYS 12 - H ALA 25 OK 17 96 - 17 - 1053/3.6=3, 1094=3...(6) HB2 LEU 103 - H ALA 25 OK 14 100 - 14 - 4474/6370=2, 4.0/6395=2...(5) HG LEU 103 - H ALA 25 OK 13 99 - 13 - 4490/6370=2, 10472/3.0=1...(4) HD2 LYS 66 - H ALA 25 OK 11 77 - 14 - 6.1/7062=3, 1.8/6404=1...(5) HG2 ARG 19 - H ALA 25 lone 8 100 - 8 - 4.0/6394=1 HB3 LEU 29 - H ALA 25 lone 7 92 - 8 - 8677/1005=2 HB2 ARG 79 - H ALA 25 lone 3 81 - 4 - 6442/10489=1 HB2 ARG 30 - H ALA 25 lone 3 70 - 4 - Peak 6402 from nnoeabs.peaks (1.51, 7.71, 119.26 ppm; 4.87 A): 2 out of 14 assignments used, quality = 0.94: * HG3 LYS 24 + H ALA 25 OK 90 100 - 90 - 3.7/6398=32, 1105=27...(17) HB3 LEU 64 + H ALA 25 OK 39 65 - 60 - 1.8/2810=11, 3.0/2800=9...(16) HG LEU 2 - H ALA 25 OK 26 97 - 27 - 75/4.6=5, 71/2.9=3...(9) HG2 LYS 73 - H ALA 25 OK 23 73 - 32 - 4.9/6409=6, 1.8/6401=4...(12) HG2 LYS 47 - H ALA 25 OK 19 70 - 28 - 3.9/6396=7, ~8622=4...(12) HB2 LEU 14 - H ALA 25 OK 18 81 - 22 - 1054/3.6=5, 3.1/10413=4...(6) HG3 LYS 66 - H ALA 25 OK 15 77 - 20 - 4.8/7062=7, 3.7/12313=2...(5) HG3 LYS 13 - H ALA 25 OK 14 90 - 15 - 1054/3.6=3, 3.9/6396=3...(5) HG3 LYS 33 - H ALA 25 OK 14 99 - 14 - 1105=4, 1096/3.6=3...(4) HG2 LYS 66 - H ALA 25 OK 13 70 - 19 - 4.8/7062=7, 3.7/12313=2...(4) HB3 LEU 103 - H ALA 25 OK 12 77 - 15 - 1.8/6401=2, 4.0/6395=2...(6) HB ILE 7 - H ALA 25 lone 6 81 - 7 - 4.5/8604=1 HG LEU 57 - H ALA 25 lone 4 97 - 4 - HG LEU 6 - H ALA 25 lone 3 70 - 5 - Peak 6403 from nnoeabs.peaks (1.70, 7.71, 119.26 ppm; 4.78 A): 2 out of 18 assignments used, quality = 0.97: HD3 LYS 24 + H ALA 25 OK 81 100 - 81 - 4.9/6398=23, 3.0/1105=19...(13) * HD2 LYS 24 + H ALA 25 OK 81 100 - 81 - 4.9/6398=23, 3.0/1105=19...(13) HG2 PRO 86 - H ALA 25 OK 43 100 - 43 - ~10130=8, 2.3/8612=7...(9) HB2 LEU 2 - H ALA 25 OK 30 98 - 30 - 59/4.6=5, 4.6/6409=4...(10) HD3 LYS 12 - H ALA 25 OK 18 99 - 18 - 3.0/1094=3, 1118/3.6=3...(7) HD2 LYS 12 - H ALA 25 OK 18 99 - 18 - 3.0/1094=3, 1118/3.6=3...(7) HD2 LYS 13 - H ALA 25 OK 17 99 - 18 - 1118/3.6=3, 1116=3...(8) HD3 LYS 66 - H ALA 25 OK 17 98 - 17 - 6.1/7062=5, 1.8/6401=2...(6) HD3 LYS 13 - H ALA 25 OK 17 97 - 17 - 1118/3.6=3, 1116=2...(6) HD3 LYS 47 - H ALA 25 OK 15 81 - 18 - 5.1/6396=5, ~8622=3...(7) HD2 LYS 47 - H ALA 25 OK 14 77 - 18 - 5.1/6396=5, ~8622=3...(7) HD3 LYS 90 - H ALA 25 OK 13 100 - 13 - 2.9/1094=3, ~10472=2, 1055/3.6=1 HG12 ILE 15 - H ALA 25 OK 12 100 - 12 - 2.1/8613=3, 1.8/8613=3...(4) HB3 LYS 40 - H ALA 25 lone 6 87 - 7 - 1805/4.6=2, ~10334=2 HG LEU 70 - H ALA 25 lone 6 100 - 6 - HB3 ARG 91 - H ALA 25 lone 4 84 - 5 - HB3 LYS 53 - H ALA 25 lone 2 92 - 2 - HD2 LYS 20 - H ALA 25 lone 2 65 - 3 - Peak 6404 from nnoeabs.peaks (1.70, 7.71, 119.26 ppm; 4.78 A): 2 out of 19 assignments used, quality = 0.97: * HD3 LYS 24 + H ALA 25 OK 81 100 - 82 - 4.9/6398=23, 3.0/1105=19...(13) HD2 LYS 24 + H ALA 25 OK 81 100 - 81 - 4.9/6398=23, 3.0/1105=19...(13) HG2 PRO 86 - H ALA 25 OK 43 99 - 43 - ~10130=8, 2.3/8612=7...(9) HB2 LEU 2 - H ALA 25 OK 30 99 - 30 - 59/4.6=5, 4.6/6409=4...(10) HD2 LYS 12 - H ALA 25 OK 18 99 - 18 - 3.0/1094=3, 1118/3.6=3...(8) HD3 LYS 12 - H ALA 25 OK 18 99 - 18 - 3.0/1094=3, 1118/3.6=3...(8) HD2 LYS 13 - H ALA 25 OK 18 99 - 18 - 1118/3.6=3, 1116=3...(8) HD3 LYS 66 - H ALA 25 OK 17 99 - 17 - 6.1/7062=5, 1.8/6401=2...(6) HD3 LYS 13 - H ALA 25 OK 17 98 - 17 - 1118/3.6=3, 1116=2...(6) HD3 LYS 47 - H ALA 25 OK 14 77 - 18 - 5.1/6396=5, ~8622=3...(7) HD2 LYS 47 - H ALA 25 OK 13 73 - 18 - 5.1/6396=5, ~8622=3...(7) HD3 LYS 90 - H ALA 25 OK 13 100 - 13 - 2.9/1094=3, ~10472=2, 1055/3.6=1 HG12 ILE 15 - H ALA 25 OK 12 100 - 12 - 2.1/8613=3, 1.8/8613=3...(4) HB3 LYS 40 - H ALA 25 lone 6 84 - 7 - ~10334=2, 1805/4.6=2 HG LEU 70 - H ALA 25 lone 6 100 - 6 - HB3 LEU 70 - H ALA 25 lone 4 61 - 6 - 4.1/6395=3 HB3 ARG 91 - H ALA 25 lone 4 81 - 5 - HB3 LYS 53 - H ALA 25 lone 2 90 - 2 - HD2 LYS 20 - H ALA 25 lone 2 61 - 3 - Peak 6407 from nnoeabs.peaks (4.41, 7.71, 119.26 ppm; 3.09 A): 1 out of 9 assignments used, quality = 1.00: * HA ALA 25 + H ALA 25 OK 100 100 - 100 - 3.0=100 HA MET 21 - H ALA 25 OK 27 100 - 27 - 3.6/8604=9, 956/4.6=4...(9) HA MET 74 - H ALA 25 OK 11 92 - 12 - 1156/2.9=2, 3.0/6400=1 HA VAL 32 - H ALA 25 lone 9 100 - 9 - 3.2/8936=2, 1156/2.9=1 HA GLU 48 - H ALA 25 lone 7 77 - 9 - 3.0/6795=1, 1156/2.9=1 HA HIS 106 - H ALA 25 lone 5 98 - 5 - HA ILE 76 - H ALA 25 lone 4 77 - 5 - 3.0/6397=2 HA GLN 50 - H ALA 25 lone 3 77 - 4 - HA SER 9 - H ALA 25 lone 1 73 - 1 - Peak 6408 from nnoeabs.peaks (1.34, 7.71, 119.26 ppm; 2.74 A): 4 out of 10 assignments used, quality = 0.93: * QB ALA 25 + H ALA 25 OK 88 100 - 88 - 2.9=82, 3.6/6411=11...(8) HB3 LEU 27 + H ALA 25 OK 24 99 - 24 - 4.0/10489=6, 1152/3.0=3...(9) QB ALA 89 + H ALA 25 OK 17 100 - 17 - 10971/3.6=6, 9938=3...(5) HG2 LYS 94 + H ALA 25 OK 12 100 - 12 - 4.9/6395=1, ~8622=1...(4) HB3 LEU 2 - H ALA 25 poor 10 98 - 10 - 67/4.6=2, 1152/3.0=1, 4.6/6409=1 HG LEU 14 - H ALA 25 lone 8 90 - 9 - 8407/3.6=2, 2.1/10413=2 HB2 LYS 82 - H ALA 25 lone 7 99 - 7 - 3.5/10933=1 QB ALA 67 - H ALA 25 lone 7 100 - 7 - 2981/2800=1 HG2 LYS 39 - H ALA 25 lone 3 98 - 3 - HG3 LYS 68 - H ALA 25 lone 3 92 - 3 - Peak 6409 from nnoeabs.peaks (7.84, 7.71, 119.26 ppm; 3.03 A): 3 out of 4 assignments used, quality = 0.73: * H ASN 26 + H ALA 25 OK 64 100 - 64 - 6411=35, 6412/3.0=16...(10) H LYS 73 + H ALA 25 OK 17 100 - 17 - 1158/2.9=3, 1153/3.0=3...(8) H LEU 3 + H ALA 25 OK 11 99 - 11 - 1158/2.9=3, 1153/3.0=2 H TYR 41 - H ALA 25 lone 2 70 - 2 - Peak 6410 from nnoeabs.peaks (7.84, 7.84, 115.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 26 + H ASN 26 OK 100 100 - 100 Peak 6411 from nnoeabs.peaks (7.71, 7.84, 115.27 ppm; 3.08 A): 2 out of 3 assignments used, quality = 0.72: * H ALA 25 + H ASN 26 OK 65 100 - 65 - 6409=34, 3.0/6412=17...(10) H LEU 64 + H ASN 26 OK 19 97 - 20 - 10477/3.0=6, 1155/3.6=4...(6) H SER 49 - H ASN 26 lone 5 77 - 6 - 1150/3.6=1, 1155/3.6=1 Peak 6412 from nnoeabs.peaks (4.41, 7.84, 115.27 ppm; 3.28 A): 2 out of 9 assignments used, quality = 0.89: * HA ALA 25 + H ASN 26 OK 87 100 - 87 - 3.6=78, 3.0/6411=20...(7) HA MET 21 + H ASN 26 OK 10 100 - 11 - 6393/4.6=2, 1156/3.6=2...(4) HA MET 74 - H ASN 26 poor 10 92 - 11 - 3.0/7215=4, 1156/3.6=2...(5) HA VAL 32 - H ASN 26 lone 4 100 - 4 - 1156/3.6=1 HA GLU 48 - H ASN 26 lone 3 77 - 4 - 3.6/6411=1 HA HIS 106 - H ASN 26 lone 3 98 - 3 - HA GLN 50 - H ASN 26 lone 2 77 - 2 - HA ILE 76 - H ASN 26 lone 1 77 - 2 - HA SER 9 - H ASN 26 lone 1 73 - 1 - Peak 6413 from nnoeabs.peaks (1.34, 7.84, 115.27 ppm; 3.53 A): 2 out of 10 assignments used, quality = 0.98: * QB ALA 25 + H ASN 26 OK 97 100 - 97 - 3.6=91, 2.1/6412=26...(11) HB3 LEU 27 + H ASN 26 OK 47 99 - 48 - 4.0/6419=20, 1.8/8617=6...(12) HB3 LEU 2 - H ASN 26 OK 34 98 - 34 - 67=7, 3.0/51=5, 1.8/59=5...(12) HB2 LYS 82 - H ASN 26 OK 23 99 - 23 - 9764/3.0=5, 3656/3.8=4...(8) QB ALA 89 - H ASN 26 OK 14 100 - 14 - 9938/4.6=4, 1152/3.6=2 HG2 LYS 94 - H ASN 26 OK 12 100 - 12 - 1152/3.6=2, 3.0/8618=1...(4) HG2 LYS 39 - H ASN 26 lone 9 98 - 9 - 3.9/10559=1 QB ALA 67 - H ASN 26 lone 8 100 - 8 - 2.1/8608=1 HG LEU 14 - H ASN 26 lone 6 90 - 6 - 1152/3.6=1 HG3 LYS 68 - H ASN 26 lone 4 92 - 5 - Peak 6414 from nnoeabs.peaks (4.36, 7.84, 115.27 ppm; 2.61 A): 2 out of 3 assignments used, quality = 0.83: * HA ASN 26 + H ASN 26 OK 79 100 - 79 - 3.0=69, 3.6/6419=12...(6) HA ASP 61 + H ASN 26 OK 16 96 - 17 - 1167/3.8=3, 1174/3.8=3...(8) HA ARG 81 - H ASN 26 lone 9 99 - 9 - 1167/3.8=1, 1174/3.8=1 Peak 6415 from nnoeabs.peaks (2.74, 7.84, 115.27 ppm; 3.53 A): 2 out of 4 assignments used, quality = 0.94: * HB2 ASN 26 + H ASN 26 OK 92 100 - 92 - 3.8=80, 3.0/6414=27...(6) HB3 ASP 61 + H ASN 26 OK 26 99 - 26 - 2720/3.0=7, 3.0/6414=6...(8) HE2 LYS 82 - H ASN 26 OK 25 100 - 25 - 1161/3.0=5, 3.0/8617=3...(11) HB3 ASN 10 - H ASN 26 lone 1 70 - 2 - Peak 6416 from nnoeabs.peaks (3.07, 7.84, 115.27 ppm; 3.64 A): 1 out of 7 assignments used, quality = 0.95: * HB3 ASN 26 + H ASN 26 OK 95 100 - 95 - 3.8=88, 3.0/6414=28...(5) HD2 ARG 79 - H ASN 26 OK 12 99 - 13 - 1162/3.0=3, 6436/4.6=3...(5) HD3 ARG 79 - H ASN 26 OK 12 97 - 12 - 1162/3.0=3, 6436/4.6=3...(5) HB3 ASN 60 - H ASN 26 lone 5 96 - 6 - 1162/3.0=2, 1169/3.8=1 HD3 ARG 30 - H ASN 26 lone 3 70 - 4 - HB3 HIS 106 - H ASN 26 lone 2 84 - 3 - HB3 HIS 105 - H ASN 26 lone 2 100 - 2 - Peak 6418 from nnoeabs.peaks (7.47, 7.84, 115.27 ppm; 5.68 A): 1 out of 5 assignments used, quality = 1.00: * HD22 ASN 26 + H ASN 26 OK 100 100 - 100 - 5.5=100 H LYS 47 - H ASN 26 OK 44 99 - 44 - 2.9/8609=11, 12046/3.0=7...(12) H ARG 91 - H ASN 26 OK 25 100 - 25 - 12046/3.0=5, 1178/3.8=4...(6) HE ARG 46 - H ASN 26 OK 12 100 - 11 - 12046/3.0=2, 4.5/8619=2...(5) HE ARG 19 - H ASN 26 lone 3 73 - 4 - Peak 6419 from nnoeabs.peaks (8.24, 7.84, 115.27 ppm; 3.06 A): 1 out of 3 assignments used, quality = 0.71: * H LEU 27 + H ASN 26 OK 71 100 - 71 - 6433=31, 6434/3.0=19...(12) H ALA 71 - H ASN 26 poor 7 61 - 12 - 3.0/8608=3, 4.6/7178=3...(4) H PHE 45 - H ASN 26 lone 2 61 - 4 - Peak 6420 from nnoeabs.peaks (6.75, 6.75, 112.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 26 + HD21 ASN 26 OK 100 100 - 100 Peak 6421 from nnoeabs.peaks (7.84, 6.75, 112.34 ppm; 5.70 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 26 + HD21 ASN 26 OK 100 100 - 100 - 5.5=100 H LEU 3 - HD21 ASN 26 OK 24 99 - 25 - 6427/1.7=7, 1173/3.5=6...(4) H LYS 73 - HD21 ASN 26 OK 22 100 - 22 - 1173/3.5=6, 6427/1.7=6...(4) H TYR 41 - HD21 ASN 26 lone 4 70 - 5 - 1173/3.5=1, 6427/1.7=1 Peak 6422 from nnoeabs.peaks (4.36, 6.75, 112.34 ppm; 4.75 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 26 + HD21 ASN 26 OK 100 100 - 100 - 4.4=100 HA ASP 61 - HD21 ASN 26 OK 40 96 - 42 - 1167/3.5=10, 6428/1.7=10...(7) HA ARG 81 - HD21 ASN 26 OK 18 99 - 18 - 6428/1.7=6, 1167/3.5=5...(4) Peak 6423 from nnoeabs.peaks (2.74, 6.75, 112.34 ppm; 3.79 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 26 + HD21 ASN 26 OK 100 100 - 100 - 3.5=100 HB3 ASP 61 - HD21 ASN 26 OK 29 99 - 29 - 6429/1.7=7, 2720/4.4=6...(7) HE2 LYS 82 - HD21 ASN 26 OK 15 100 - 15 - 9769/4.4=4, 6429/1.7=4...(4) HB3 ASN 10 - HD21 ASN 26 lone 1 70 - 1 - Peak 6424 from nnoeabs.peaks (3.07, 6.75, 112.34 ppm; 4.02 A): 1 out of 7 assignments used, quality = 1.00: * HB3 ASN 26 + HD21 ASN 26 OK 100 100 - 100 - 3.5=100 HD2 ARG 79 - HD21 ASN 26 OK 11 99 - 11 - 6430/1.7=3, 1162/4.4=3...(5) HD3 ARG 79 - HD21 ASN 26 OK 10 97 - 11 - 6430/1.7=3, 1162/4.4=3...(5) HB3 ASN 60 - HD21 ASN 26 lone 6 96 - 6 - 1162/4.4=2, 6430/1.7=2 HB3 HIS 105 - HD21 ASN 26 lone 3 100 - 3 - HB3 HIS 106 - HD21 ASN 26 lone 2 84 - 2 - HD3 ARG 30 - HD21 ASN 26 lone 1 70 - 2 - Peak 6425 from nnoeabs.peaks (7.47, 6.75, 112.34 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HD22 ASN 26 + HD21 ASN 26 OK 100 100 - 100 - 1.7=100 H LYS 47 - HD21 ASN 26 lone 4 99 - 4 - 1178/3.5=1 H ARG 91 - HD21 ASN 26 lone 3 100 - 3 - HE ARG 46 - HD21 ASN 26 lone 1 100 - 1 - HE ARG 19 - HD21 ASN 26 lone 0 73 - 0 - Peak 6426 from nnoeabs.peaks (7.47, 7.47, 112.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 26 + HD22 ASN 26 OK 100 100 - 100 Peak 6427 from nnoeabs.peaks (7.84, 7.47, 112.34 ppm; 6.20 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 26 + HD22 ASN 26 OK 100 100 - 100 - 5.5=100 H LEU 3 - HD22 ASN 26 OK 30 99 - 31 - 6421/1.7=7, 1173/3.5=7...(5) H LYS 73 - HD22 ASN 26 OK 26 100 - 26 - 6421/1.7=7, 1173/3.5=6...(4) H TYR 41 - HD22 ASN 26 lone 5 70 - 7 - 6421/1.7=1, 1173/3.5=1 Peak 6428 from nnoeabs.peaks (4.36, 7.47, 112.34 ppm; 4.80 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 26 + HD22 ASN 26 OK 100 100 - 100 - 4.4=100 HA ASP 61 - HD22 ASN 26 OK 41 96 - 43 - 1167/3.5=10, 6422/1.7=10...(7) HA ARG 81 - HD22 ASN 26 OK 23 99 - 23 - 1167/3.5=5, 1174/3.5=5...(6) Peak 6429 from nnoeabs.peaks (2.74, 7.47, 112.34 ppm; 3.47 A): 1 out of 4 assignments used, quality = 0.96: * HB2 ASN 26 + HD22 ASN 26 OK 96 100 - 96 - 3.5=96, 1166/5.5=8 HB3 ASP 61 - HD22 ASN 26 OK 24 99 - 24 - 6423/1.7=6, 2720/4.4=5...(7) HE2 LYS 82 - HD22 ASN 26 OK 14 100 - 14 - 9769/4.4=4, 6423/1.7=3...(5) HB3 ASN 10 - HD22 ASN 26 lone 1 70 - 1 - Peak 6430 from nnoeabs.peaks (3.07, 7.47, 112.34 ppm; 3.70 A): 1 out of 7 assignments used, quality = 1.00: * HB3 ASN 26 + HD22 ASN 26 OK 100 100 - 100 - 3.5=100 HD2 ARG 79 - HD22 ASN 26 lone 9 99 - 9 - 6424/1.7=3, 1162/4.4=2...(5) HD3 ARG 79 - HD22 ASN 26 lone 9 97 - 9 - 6424/1.7=3, 1162/4.4=2...(5) HB3 ASN 60 - HD22 ASN 26 lone 5 96 - 6 - 1169/3.5=1, 6424/1.7=1 HB3 HIS 105 - HD22 ASN 26 lone 2 100 - 2 - HB3 HIS 106 - HD22 ASN 26 lone 1 84 - 2 - HD3 ARG 30 - HD22 ASN 26 lone 1 70 - 2 - Peak 6431 from nnoeabs.peaks (6.75, 7.47, 112.34 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 26 + HD22 ASN 26 OK 100 100 - 100 - 1.7=100 Peak 6432 from nnoeabs.peaks (8.24, 8.24, 116.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 27 + H LEU 27 OK 100 100 - 100 Peak 6433 from nnoeabs.peaks (7.84, 8.24, 116.83 ppm; 3.08 A): 3 out of 4 assignments used, quality = 0.86: * H ASN 26 + H LEU 27 OK 77 100 - 77 - 6419=44, 3.0/6434=20...(12) H LEU 3 + H LEU 27 OK 23 99 - 23 - 8088/3.0=6, 11124/4.6=6...(7) H LYS 73 + H LEU 27 OK 19 100 - 19 - 3.6/8637=5, 10856=5...(6) H TYR 41 - H LEU 27 lone 2 70 - 3 - Peak 6434 from nnoeabs.peaks (4.36, 8.24, 116.83 ppm; 2.98 A): 2 out of 3 assignments used, quality = 0.80: * HA ASN 26 + H LEU 27 OK 77 100 - 77 - 3.6=58, 3.0/6419=20...(7) HA ASP 61 + H LEU 27 OK 12 96 - 13 - 1167/4.7=3, 1174/4.7=3...(4) HA ARG 81 - H LEU 27 lone 9 99 - 9 - 9743/4.0=1, 1167/4.7=1...(5) Peak 6435 from nnoeabs.peaks (2.74, 8.24, 116.83 ppm; 4.30 A): 1 out of 4 assignments used, quality = 0.94: * HB2 ASN 26 + H LEU 27 OK 94 100 - 94 - 4.7=79, 3.0/1165=35...(7) HE2 LYS 82 - H LEU 27 OK 32 100 - 32 - 9769/3.6=7, 3.0/6440=5...(9) HB3 ASP 61 - H LEU 27 OK 24 99 - 24 - 2720/3.6=9, 3.0/6434=5...(5) HB3 ASN 10 - H LEU 27 lone 1 70 - 2 - Peak 6436 from nnoeabs.peaks (3.07, 8.24, 116.83 ppm; 4.21 A): 2 out of 7 assignments used, quality = 0.95: * HB3 ASN 26 + H LEU 27 OK 93 100 - 93 - 4.7=74, 3.0/1165=33...(8) HD2 ARG 79 + H LEU 27 OK 33 99 - 34 - 12330/3.0=9, ~12330=7...(10) HD3 ARG 79 - H LEU 27 OK 32 97 - 33 - 12330/3.0=9, ~12330=7...(10) HD3 ARG 30 - H LEU 27 OK 10 70 - 15 - 10139/4.7=4, 2.9/6445=4...(5) HB3 ASN 60 - H LEU 27 lone 7 96 - 7 - 1162/3.6=2, 1169/4.7=1 HB3 HIS 105 - H LEU 27 lone 2 100 - 2 - HB3 HIS 106 - H LEU 27 lone 2 84 - 2 - Peak 6439 from nnoeabs.peaks (4.65, 8.24, 116.83 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 27 + H LEU 27 OK 100 100 - 100 - 3.0=100 HA LEU 55 - H LEU 27 OK 14 65 - 21 - 1189/4.0=3, 1197/4.0=3...(9) Peak 6440 from nnoeabs.peaks (1.46, 8.24, 116.83 ppm; 3.12 A): 4 out of 14 assignments used, quality = 0.86: * HB2 LEU 27 + H LEU 27 OK 78 100 - 78 - 4.0=47, 3.1/1220=13...(13) HD2 LYS 82 + H LEU 27 OK 20 100 - 20 - 3.0/6435=3, 1198/4.0=3...(11) HD2 LYS 40 + H LEU 27 OK 12 97 - 12 - 1198/4.0=2, 1182/3.0=2...(8) HD3 LYS 40 + H LEU 27 OK 12 96 - 12 - 1198/4.0=2, 1182/3.0=2...(8) HG2 LYS 12 - H LEU 27 lone 7 87 - 9 - 1.8/6442=2 HG13 ILE 52 - H LEU 27 lone 7 100 - 7 - HD2 LYS 53 - H LEU 27 lone 6 100 - 6 - HG2 LYS 20 - H LEU 27 lone 6 100 - 6 - 882/4.6=1, 4.9/6445=1 HG2 LYS 53 - H LEU 27 lone 5 98 - 5 - HB2 LEU 38 - H LEU 27 lone 5 100 - 4 - HG3 LYS 39 - H LEU 27 lone 5 73 - 6 - 1.8/6441=1 HG LEU 38 - H LEU 27 lone 4 100 - 4 - HG3 LYS 53 - H LEU 27 lone 4 90 - 4 - HG3 ARG 91 - H LEU 27 lone 3 99 - 3 - Peak 6441 from nnoeabs.peaks (1.34, 8.24, 116.83 ppm; 3.29 A): 2 out of 12 assignments used, quality = 0.95: * HB3 LEU 27 + H LEU 27 OK 86 100 - 86 - 4.0=55, 1.8/1188=21...(16) QB ALA 25 + H LEU 27 OK 66 99 - 66 - 3.6/6419=20, 10476=18...(14) HB2 LYS 82 - H LEU 27 OK 25 100 - 25 - 9764/3.6=4, 3656/4.7=3...(12) HG2 LYS 94 - H LEU 27 OK 16 99 - 16 - 3.0/6442=2, 1183/3.0=2...(6) HB3 LEU 2 - H LEU 27 OK 13 90 - 14 - 4.6/6433=3, 67/4.6=2...(4) QB ALA 89 - H LEU 27 lone 10 99 - 10 - 9932/4.7=2, 9938/10489=1 HG2 LYS 39 - H LEU 27 lone 10 100 - 10 - 1183/3.0=1, 1191/4.0=1 HG3 LYS 40 - H LEU 27 poor 9 77 - 12 - 3.0/6440=2, 3.0/6440=2...(5) QB ALA 67 - H LEU 27 lone 8 97 - 8 - HG3 LYS 68 - H LEU 27 lone 7 99 - 7 - HG LEU 14 - H LEU 27 lone 5 98 - 5 - HG12 ILE 8 - H LEU 27 lone 2 61 - 3 - Peak 6442 from nnoeabs.peaks (1.60, 8.24, 116.83 ppm; 3.23 A): 5 out of 13 assignments used, quality = 0.87: * HG LEU 27 + H LEU 27 OK 73 100 - 73 - 5.0=27, 2.1/1220=18...(12) HB2 ARG 79 + H LEU 27 OK 30 100 - 30 - 12329/3.0=10, ~12328=6...(11) HD3 LYS 94 + H LEU 27 OK 15 100 - 15 - 1200/4.0=2, 1192/4.0=2...(6) HB3 LEU 29 + H LEU 27 OK 11 100 - 11 - 6451/4.6=2, 1192/4.0=2...(7) HG3 LYS 12 + H LEU 27 OK 11 99 - 11 - 1.8/6440=2, 1192/4.0=1...(6) HB2 ARG 30 - H LEU 27 lone 9 99 - 9 - 1184/3.0=1, 5.0/6445=1 HG3 LYS 73 - H LEU 27 lone 9 100 - 9 - 4.9/10856=3, 3271/4.6=2 HD2 LYS 66 - H LEU 27 lone 7 100 - 7 - 2930/4.6=2 HG2 LYS 24 - H LEU 27 lone 5 87 - 6 - 8618/4.6=2, 1094/10489=1 HG2 ARG 19 - H LEU 27 lone 5 84 - 6 - 4.9/6445=1, 816/4.6=1 HB2 LEU 103 - H LEU 27 lone 3 84 - 3 - HG3 LYS 90 - H LEU 27 lone 2 81 - 3 - HG LEU 103 - H LEU 27 lone 2 73 - 3 - Peak 6443 from nnoeabs.peaks (0.73, 8.24, 116.83 ppm; 3.66 A): 2 out of 9 assignments used, quality = 0.92: * QD2 LEU 27 + H LEU 27 OK 88 100 - 88 - 4.7=48, 1213/3.0=26...(12) QG1 VAL 5 + H LEU 27 OK 32 100 - 32 - 1185/3.0=6, 2.1/10370=5...(9) QD1 LEU 64 - H LEU 27 OK 19 87 - 22 - 9483/3.6=6, 4.5/10489=4...(8) HG13 ILE 93 - H LEU 27 OK 19 81 - 23 - 2.1/6444=5, 1185/3.0=3...(9) HG3 ARG 81 - H LEU 27 OK 17 92 - 18 - 3611/3.6=4, 3.9/6434=2...(7) QG2 VAL 78 - H LEU 27 OK 12 96 - 12 - 1185/3.0=2, 1201/4.0=1...(4) QG1 VAL 58 - H LEU 27 poor 10 94 - 10 - 9384/4.0=2, 1185/3.0=2 QG1 VAL 78 - H LEU 27 poor 8 73 - 10 - 1185/3.0=2, ~1185=1 HG13 ILE 56 - H LEU 27 lone 7 77 - 9 - ~9317=3, 1185/3.0=2...(4) Peak 6444 from nnoeabs.peaks (0.77, 8.24, 116.83 ppm; 3.72 A): 2 out of 10 assignments used, quality = 0.93: * QD1 LEU 27 + H LEU 27 OK 89 100 - 89 - 4.7=51, 2.1/1204=23...(18) QD1 ILE 93 + H LEU 27 OK 30 100 - 31 - 10321/4.0=5, 1186/3.0=5...(11) QG2 ILE 93 - H LEU 27 OK 15 65 - 23 - 3.2/6443=2, 1202/4.0=2...(11) QD1 ILE 15 - H LEU 27 OK 13 94 - 14 - 8436/4.6=3, 1186/3.0=2...(4) QG2 ILE 52 - H LEU 27 OK 10 92 - 11 - 1194/4.0=2, 1186/3.0=2...(5) QG1 VAL 54 - H LEU 27 lone 10 97 - 10 - 1186/3.0=2, 6453/4.6=2...(4) QD2 LEU 42 - H LEU 27 lone 9 100 - 9 - 1194/4.0=1, 1186/3.0=1 HG13 ILE 15 - H LEU 27 lone 8 81 - 10 - 1186/3.0=1, 1202/4.0=1 QD1 LEU 6 - H LEU 27 lone 7 100 - 7 - QG2 ILE 8 - H LEU 27 lone 3 65 - 5 - Peak 6445 from nnoeabs.peaks (7.80, 8.24, 116.83 ppm; 3.52 A): 5 out of 6 assignments used, quality = 0.87: * H GLU 28 + H LEU 27 OK 76 100 - 76 - 4.6=44, 6448/3.0=28...(8) H LYS 66 + H LEU 27 OK 18 99 - 18 - 1187/3.0=3, 1203/4.0=3...(8) H LYS 20 + H LEU 27 OK 15 98 - 15 - 1187/3.0=3, 1195/4.0=3...(6) HE ARG 30 + H LEU 27 OK 13 94 - 14 - 1187/3.0=3, 1195/4.0=2...(7) H GLU 99 + H LEU 27 OK 12 99 - 12 - 1187/3.0=3, 1203/4.0=2...(5) H SER 9 - H LEU 27 lone 5 84 - 6 - 1187/3.0=1 Peak 6446 from nnoeabs.peaks (7.80, 7.80, 121.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 28 + H GLU 28 OK 100 100 - 100 Peak 6447 from nnoeabs.peaks (8.24, 7.80, 121.34 ppm; 5.20 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 27 + H GLU 28 OK 100 100 - 100 - 4.6=100 H ALA 71 - H GLU 28 OK 19 61 - 30 - 1180/3.6=6, 1196/4.4=6...(5) H PHE 45 - H GLU 28 poor 9 61 - 15 - 1220/4.7=3, 1196/4.4=3...(5) Peak 6448 from nnoeabs.peaks (4.65, 7.80, 121.34 ppm; 3.16 A): 1 out of 2 assignments used, quality = 0.84: * HA LEU 27 + H GLU 28 OK 84 100 - 84 - 3.6=69, 3.0/6445=12...(10) HA LEU 55 - H GLU 28 poor 9 65 - 13 - 1189/4.4=2, 1197/4.4=2...(6) Peak 6449 from nnoeabs.peaks (1.46, 7.80, 121.34 ppm; 3.91 A): 2 out of 14 assignments used, quality = 0.94: * HB2 LEU 27 + H GLU 28 OK 91 100 - 91 - 4.4=72, 3.0/6448=33...(9) HG2 LYS 20 + H GLU 28 OK 28 100 - 28 - 882=5, 1.8/893=5...(8) HD2 LYS 82 - H GLU 28 OK 25 100 - 26 - 1.8/6456=5, 1198/4.4=4...(9) HD2 LYS 53 - H GLU 28 OK 19 100 - 19 - 1.8/6456=3, 3.0/882=2...(10) HG2 LYS 53 - H GLU 28 OK 17 98 - 17 - 882=3, 3.0/6456=3...(5) HD2 LYS 40 - H GLU 28 OK 15 97 - 15 - 1198/4.4=2, 1182/3.6=2...(7) HD3 LYS 40 - H GLU 28 OK 14 96 - 15 - 1198/4.4=2, 1182/3.6=2...(7) HG3 LYS 53 - H GLU 28 OK 13 90 - 14 - 3.0/6456=3, 1.8/882=2 HG13 ILE 52 - H GLU 28 OK 12 100 - 12 - 3.2/6453=2, 1182/3.6=1...(4) HG2 LYS 12 - H GLU 28 OK 10 87 - 12 - 1.8/6451=2, 1222/4.7=2...(5) HB2 LEU 38 - H GLU 28 lone 10 100 - 9 - 1.8/6457=1 HG LEU 38 - H GLU 28 lone 8 100 - 8 - 3.0/6457=1 HG3 LYS 39 - H GLU 28 lone 7 73 - 10 - 1.8/6450=2 HG3 ARG 91 - H GLU 28 lone 4 99 - 4 - Peak 6450 from nnoeabs.peaks (1.34, 7.80, 121.34 ppm; 3.83 A): 2 out of 12 assignments used, quality = 0.93: * HB3 LEU 27 + H GLU 28 OK 89 100 - 89 - 4.4=68, 3.0/6448=32...(10) QB ALA 25 + H GLU 28 OK 36 99 - 36 - 10475/3.6=14...(7) HB2 LYS 82 - H GLU 28 OK 22 100 - 22 - 3.5/6456=3, 1183/3.6=3...(8) QB ALA 67 - H GLU 28 OK 19 97 - 20 - 2.9/7084=4, 3.6/7101=4...(6) HG3 LYS 68 - H GLU 28 OK 18 99 - 18 - 4.6/7101=3, 10267/3.0=2...(6) HB3 LEU 2 - H GLU 28 OK 15 90 - 17 - 4.6/11124=10, 1183/3.6=2...(4) HG2 LYS 94 - H GLU 28 OK 15 99 - 16 - 1191/4.4=2, 1223/4.7=2...(6) HG2 LYS 39 - H GLU 28 OK 11 100 - 11 - 1183/3.6=1, 1191/4.4=1...(4) HG3 LYS 40 - H GLU 28 poor 10 77 - 13 - 1183/3.6=2, 1191/4.4=2...(7) QB ALA 89 - H GLU 28 lone 9 99 - 9 - 9932/4.7=2 HG LEU 14 - H GLU 28 lone 7 98 - 7 - 2.1/10412=2 HG12 ILE 8 - H GLU 28 lone 5 61 - 8 - 4.6/6099=1 Peak 6451 from nnoeabs.peaks (1.60, 7.80, 121.34 ppm; 3.96 A): 5 out of 13 assignments used, quality = 0.93: * HG LEU 27 + H GLU 28 OK 67 100 - 67 - 4.3/6448=23, 1204/4.6=15...(9) HB3 LEU 29 + H GLU 28 OK 51 100 - 51 - ~10491=11, 8676/3.0=9...(13) HB2 ARG 79 + H GLU 28 OK 28 100 - 28 - 12329/3.6=14, 6442/4.6=4...(6) HD2 LYS 66 + H GLU 28 OK 27 100 - 27 - 2930=4, 3.6/2897=4...(10) HG2 ARG 19 + H GLU 28 OK 24 84 - 28 - 1.8/6455=4, 3.0/797=3...(10) HD3 LYS 94 - H GLU 28 OK 20 100 - 21 - 1200/4.4=3, 1192/4.4=3...(7) HB2 ARG 30 - H GLU 28 OK 17 99 - 18 - 2.9/10508=3, 6469/4.5=3...(10) HB2 LEU 103 - H GLU 28 OK 17 84 - 20 - 3.0/6454=3, 4475/3.0=3...(8) HG3 LYS 12 - H GLU 28 OK 17 99 - 17 - 1224/4.7=2, 1192/4.4=2...(8) HG LEU 103 - H GLU 28 OK 11 73 - 15 - 3.7/6454=3, ~4499=2...(6) HG3 LYS 90 - H GLU 28 poor 9 81 - 10 - 2.9/6455=2, ~1230=1...(4) HG3 LYS 73 - H GLU 28 lone 7 100 - 7 - 6442/4.6=1 HG2 LYS 24 - H GLU 28 lone 4 87 - 4 - Peak 6452 from nnoeabs.peaks (0.73, 7.80, 121.34 ppm; 4.16 A): 2 out of 9 assignments used, quality = 0.95: * QD2 LEU 27 + H GLU 28 OK 91 100 - 91 - 4.7=71, 4.0/6448=28...(10) QG1 VAL 5 + H GLU 28 OK 43 100 - 44 - 4.0/8650=15, 2.1/8168=11...(7) HG13 ILE 93 - H GLU 28 OK 18 81 - 22 - 2.1/6453=4, 1185/3.6=3...(7) QD1 LEU 64 - H GLU 28 OK 16 87 - 18 - 4.9/7057=4, 4.5/7042=3...(7) HG3 ARG 81 - H GLU 28 OK 13 92 - 15 - 1185/3.6=2, 1201/4.4=2...(5) QG1 VAL 58 - H GLU 28 OK 13 94 - 14 - 9384/4.4=3, 9383/4.4=2...(5) QG2 VAL 78 - H GLU 28 OK 12 96 - 12 - 1185/3.6=3, 1201/4.4=2...(5) HG13 ILE 56 - H GLU 28 poor 9 77 - 11 - 9316/3.6=2, 2592/8650=1...(4) QG1 VAL 78 - H GLU 28 lone 7 73 - 9 - 1185/3.6=2, 1201/4.4=1 Peak 6453 from nnoeabs.peaks (0.77, 7.80, 121.34 ppm; 4.46 A): 1 out of 10 assignments used, quality = 0.97: * QD1 LEU 27 + H GLU 28 OK 97 100 - 97 - 4.7=88, 4.0/6448=31...(9) QD1 ILE 93 - H GLU 28 OK 36 100 - 36 - 10321/4.4=6, 1186/3.6=6...(11) QG1 VAL 54 - H GLU 28 OK 29 97 - 29 - 3.2/8655=11, 2500/8655=4...(9) QD1 ILE 15 - H GLU 28 OK 25 94 - 27 - 8436=9, 8663/4.5=3...(8) QG2 ILE 52 - H GLU 28 OK 19 92 - 21 - 4.3/6459=3, 1194/4.4=2...(9) HG13 ILE 15 - H GLU 28 OK 17 81 - 21 - 2.1/8436=8, 2.9/6455=3...(8) QD1 LEU 6 - H GLU 28 OK 16 100 - 16 - 232/4.5=6, 1186/3.6=1...(6) QG2 ILE 93 - H GLU 28 OK 14 65 - 22 - 1202/4.4=3, 1194/4.4=3...(8) QD2 LEU 42 - H GLU 28 OK 12 100 - 12 - 1194/4.4=2, 1186/3.6=1...(5) QG2 ILE 8 - H GLU 28 poor 10 65 - 15 - 4.0/6099=2, 2.1/296=1...(4) Peak 6454 from nnoeabs.peaks (4.31, 7.80, 121.34 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 28 + H GLU 28 OK 100 100 - 100 - 3.0=100 HA ASP 65 - H GLU 28 OK 42 100 - 43 - 2854=10, 3.0/7057=6...(15) HA LEU 103 - H GLU 28 OK 18 94 - 19 - 6462/4.5=3, 1243/4.0=3...(8) Peak 6455 from nnoeabs.peaks (1.74, 7.80, 121.34 ppm; 3.80 A): 1 out of 7 assignments used, quality = 0.93: * HB2 GLU 28 + H GLU 28 OK 93 100 - 93 - 4.0=84, 1.8/1242=23...(9) HG3 ARG 19 - H GLU 28 OK 15 65 - 24 - 1.8/816=4, 3.0/797=3...(11) HD2 LYS 90 - H GLU 28 OK 11 100 - 11 - 1230/3.0=3, 1244/4.0=2 HB ILE 15 - H GLU 28 OK 10 84 - 12 - 3.2/8436=5, 1230/3.0=2...(4) HD3 LYS 33 - H GLU 28 lone 5 65 - 7 - 1230/3.0=1, 1244/4.0=1 HD2 LYS 33 - H GLU 28 lone 5 65 - 7 - 1230/3.0=1, 1244/4.0=1 HD2 ARG 81 - H GLU 28 lone 4 70 - 6 - 3.0/6452=2 Peak 6456 from nnoeabs.peaks (1.56, 7.80, 121.34 ppm; 3.55 A): 4 out of 6 assignments used, quality = 0.94: * HB3 GLU 28 + H GLU 28 OK 87 100 - 87 - 4.0=69, 1.8/6455=21...(11) HB2 LEU 3 + H GLU 28 OK 35 92 - 38 - 4.0/11124=10...(9) HD3 LYS 82 + H GLU 28 OK 22 100 - 22 - 10132/4.7=5, 3705/4.4=3...(8) HD3 LYS 53 + H GLU 28 OK 14 90 - 16 - 1.8/6449=2, 10132/4.7=2...(8) HG LEU 103 - H GLU 28 poor 9 61 - 14 - 3.7/6454=2, 1231/3.0=2...(7) HG2 LYS 33 - H GLU 28 lone 6 77 - 7 - 1231/3.0=1 Peak 6457 from nnoeabs.peaks (2.06, 7.80, 121.34 ppm; 3.98 A): 2 out of 11 assignments used, quality = 0.97: * HG2 GLU 28 + H GLU 28 OK 82 100 - 82 - 5.0=49, 3.0/6455=20...(8) HG3 GLU 28 + H GLU 28 OK 82 100 - 82 - 5.0=49, 3.0/6455=20...(8) HB2 MET 21 - H GLU 28 poor 9 84 - 11 - 4.6/6343=4, 4.0/6322=3 HB2 GLU 98 - H GLU 28 poor 7 61 - 11 - 4.0/7595=3, 3.0/4367=2...(4) HB3 LEU 38 - H GLU 28 lone 7 94 - 7 - 1.8/6449=1 HB2 MET 74 - H GLU 28 lone 3 100 - 3 - HB3 GLU 43 - H GLU 28 lone 3 100 - 3 - HB2 GLU 16 - H GLU 28 lone 2 87 - 2 - HB3 GLU 88 - H GLU 28 lone 2 81 - 2 - HB3 GLU 48 - H GLU 28 lone 2 73 - 2 - HB3 GLU 35 - H GLU 28 lone 1 70 - 2 - Peak 6458 from nnoeabs.peaks (2.06, 7.80, 121.34 ppm; 3.98 A): 2 out of 11 assignments used, quality = 0.97: HG2 GLU 28 + H GLU 28 OK 82 100 - 82 - 5.0=49, 3.0/6455=20...(8) * HG3 GLU 28 + H GLU 28 OK 82 100 - 82 - 5.0=49, 3.0/6455=20...(8) HB2 MET 21 - H GLU 28 poor 9 84 - 11 - 4.6/6343=4, 4.0/6322=3 HB2 GLU 98 - H GLU 28 poor 7 61 - 11 - 4.0/7595=3, 3.0/4367=2...(4) HB3 LEU 38 - H GLU 28 lone 7 94 - 7 - 1.8/6449=1 HB2 MET 74 - H GLU 28 lone 3 100 - 3 - HB3 GLU 43 - H GLU 28 lone 3 100 - 3 - HB2 GLU 16 - H GLU 28 lone 2 87 - 2 - HB3 GLU 88 - H GLU 28 lone 2 81 - 2 - HB3 GLU 48 - H GLU 28 lone 2 73 - 2 - HB3 GLU 35 - H GLU 28 lone 1 70 - 2 - Peak 6459 from nnoeabs.peaks (8.45, 7.80, 121.34 ppm; 4.87 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 29 + H GLU 28 OK 100 100 - 100 - 4.5=100 H ILE 7 - H GLU 28 OK 34 97 - 35 - 1234/3.0=7, 1241/4.0=7...(10) H LYS 53 - H GLU 28 OK 19 73 - 25 - 1248/4.0=3, 1234/3.0=3...(10) Peak 6460 from nnoeabs.peaks (8.45, 8.45, 126.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 29 + H LEU 29 OK 100 100 - 100 Peak 6461 from nnoeabs.peaks (7.80, 8.45, 126.55 ppm; 4.57 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 28 + H LEU 29 OK 100 100 - 100 - 4.5=100 H LYS 20 - H LEU 29 OK 37 98 - 38 - 8528/4.8=8, 8528/4.8=6...(12) H LYS 66 - H LEU 29 OK 29 99 - 29 - 7065/3.6=8, 3.6/6462=5...(8) HE ARG 30 - H LEU 29 OK 21 94 - 22 - 4.0/8665=7, 7.4/6475=6...(6) H SER 9 - H LEU 29 OK 16 84 - 19 - 4.6/6086=5, 8316/4.6=2...(6) H GLU 99 - H LEU 29 lone 8 99 - 8 - 1228/3.6=2, 1242/4.6=1 Peak 6462 from nnoeabs.peaks (4.31, 8.45, 126.55 ppm; 2.80 A): 3 out of 3 assignments used, quality = 0.75: * HA GLU 28 + H LEU 29 OK 69 100 - 69 - 3.6=48, 3.0/6464=10...(9) HA ASP 65 + H LEU 29 OK 11 100 - 11 - 6454/4.5=2, 1243/4.6=2...(4) HA LEU 103 + H LEU 29 OK 10 94 - 11 - 8676/4.0=2, 8682/2.9=1...(7) Peak 6463 from nnoeabs.peaks (1.74, 8.45, 126.55 ppm; 4.02 A): 2 out of 7 assignments used, quality = 0.93: * HB2 GLU 28 + H LEU 29 OK 91 100 - 91 - 4.6=65, 3.0/1234=31...(11) HG3 ARG 19 + H LEU 29 OK 22 65 - 34 - 8673/4.8=8, 10499/4.8=6...(11) HD2 LYS 90 - H LEU 29 OK 18 100 - 17 - 1230/3.6=3, 2.9/8665=3...(7) HB ILE 15 - H LEU 29 OK 11 84 - 13 - 10499/4.8=4, 3.2/8663=3...(5) HD2 ARG 81 - H LEU 29 lone 5 70 - 8 - ~8666=3, ~8667=1 HD2 LYS 33 - H LEU 29 lone 4 65 - 6 - 3.0/6464=1, 1230/3.6=1 HD3 LYS 33 - H LEU 29 lone 4 65 - 6 - 3.0/6464=1, 1230/3.6=1 Peak 6464 from nnoeabs.peaks (1.56, 8.45, 126.55 ppm; 3.41 A): 3 out of 6 assignments used, quality = 0.84: * HB3 GLU 28 + H LEU 29 OK 76 100 - 76 - 4.6=40, 3.0/6462=24...(10) HB2 LEU 3 + H LEU 29 OK 25 92 - 27 - 1.8/6468=7, 6456/4.5=3...(10) HD3 LYS 82 + H LEU 29 OK 10 100 - 10 - 3713/4.6=2, 6456/4.5=2...(4) HD3 LYS 53 - H LEU 29 lone 9 90 - 10 - 1231/3.6=1, 6456/4.5=1 HG LEU 103 - H LEU 29 lone 6 61 - 9 - 3.7/6462=3, 3.0/6469=2 HG2 LYS 33 - H LEU 29 lone 5 77 - 6 - 1231/3.6=1 Peak 6465 from nnoeabs.peaks (2.06, 8.45, 126.55 ppm; 4.08 A): 2 out of 11 assignments used, quality = 0.97: * HG2 GLU 28 + H LEU 29 OK 83 100 - 83 - 5.0=55, 3.7/1234=26...(6) HG3 GLU 28 + H LEU 29 OK 83 100 - 83 - 5.0=55, 3.7/1234=26...(6) HB2 MET 21 - H LEU 29 lone 4 84 - 5 - 8583/8586=1 HB3 LEU 38 - H LEU 29 lone 4 94 - 4 - HB2 MET 74 - H LEU 29 lone 3 100 - 3 - HB3 GLU 43 - H LEU 29 lone 2 100 - 2 - HB2 GLU 98 - H LEU 29 lone 2 61 - 3 - HB3 GLU 48 - H LEU 29 lone 1 73 - 2 - HB2 GLU 16 - H LEU 29 lone 1 87 - 2 - HB3 GLU 88 - H LEU 29 lone 1 81 - 2 - HB3 GLU 35 - H LEU 29 lone 1 70 - 1 - Peak 6466 from nnoeabs.peaks (2.06, 8.45, 126.55 ppm; 4.08 A): 2 out of 11 assignments used, quality = 0.97: HG2 GLU 28 + H LEU 29 OK 83 100 - 83 - 5.0=55, 3.7/1234=26...(6) * HG3 GLU 28 + H LEU 29 OK 83 100 - 83 - 5.0=55, 3.7/1234=26...(6) HB2 MET 21 - H LEU 29 lone 4 84 - 5 - 8583/8586=1 HB3 LEU 38 - H LEU 29 lone 4 94 - 4 - HB2 MET 74 - H LEU 29 lone 3 100 - 3 - HB3 GLU 43 - H LEU 29 lone 2 100 - 2 - HB2 GLU 98 - H LEU 29 lone 2 61 - 3 - HB3 GLU 48 - H LEU 29 lone 1 73 - 2 - HB2 GLU 16 - H LEU 29 lone 1 87 - 2 - HB3 GLU 88 - H LEU 29 lone 1 81 - 2 - HB3 GLU 35 - H LEU 29 lone 1 70 - 1 - Peak 6467 from nnoeabs.peaks (5.66, 8.45, 126.55 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 29 + H LEU 29 OK 100 100 - 100 - 2.9=100 Peak 6468 from nnoeabs.peaks (1.16, 8.45, 126.55 ppm; 3.63 A): 2 out of 5 assignments used, quality = 0.94: * HB2 LEU 29 + H LEU 29 OK 91 100 - 91 - 4.0=73, 1.8/6469=16...(13) HB3 LEU 3 + H LEU 29 OK 32 92 - 35 - 1.8/6464=7, 1265/2.9=6...(12) HG2 LYS 40 - H LEU 29 OK 19 100 - 19 - 1265/2.9=4, 1281/4.0=3...(7) QG2 THR 31 - H LEU 29 poor 8 61 - 13 - 8731/4.8=3, 1305/4.8=2...(6) QG2 THR 34 - H LEU 29 lone 6 77 - 7 - Peak 6469 from nnoeabs.peaks (1.60, 8.45, 126.55 ppm; 3.34 A): 6 out of 13 assignments used, quality = 0.94: * HB3 LEU 29 + H LEU 29 OK 83 100 - 83 - 4.0=57, 1.8/6468=18...(13) HB2 ARG 30 + H LEU 29 OK 24 97 - 25 - 4.0/6475=8, 2.9/8665=4...(9) HG2 ARG 19 + H LEU 29 OK 23 90 - 26 - 8518/4.8=7, 1.8/6463=4...(9) HG3 LYS 12 + H LEU 29 OK 17 100 - 17 - 1.8/6470=2, 1266/2.9=2...(9) HG LEU 27 + H LEU 29 OK 15 100 - 15 - 6451/4.5=3, 1266/2.9=2...(6) HB2 LEU 103 + H LEU 29 OK 13 90 - 14 - 3.0/6462=4, 4475/3.6=2...(5) HG3 LYS 90 - H LEU 29 lone 8 87 - 9 - 2.9/6463=2, 1.8/8665=2 HD2 LYS 66 - H LEU 29 lone 7 99 - 7 - 2930/4.5=2 HB2 ARG 79 - H LEU 29 lone 7 99 - 7 - 6483/4.6=1, 6451/4.5=1 HG LEU 103 - H LEU 29 lone 6 81 - 8 - 3.7/6462=3, 4491/3.6=1 HD3 LYS 94 - H LEU 29 lone 5 100 - 5 - HG3 LYS 73 - H LEU 29 lone 2 100 - 2 - HG2 LYS 24 - H LEU 29 lone 2 92 - 2 - Peak 6470 from nnoeabs.peaks (1.44, 8.45, 126.55 ppm; 3.77 A): 2 out of 8 assignments used, quality = 0.95: * HG LEU 29 + H LEU 29 OK 86 100 - 86 - 5.0=42, 3.0/6468=17...(11) QB ALA 22 + H LEU 29 OK 66 100 - 66 - 10453/2.9=18, 8586=17...(11) HG12 ILE 7 - H LEU 29 OK 37 90 - 42 - 3.2/249=7, 257=7...(13) HG3 LYS 39 - H LEU 29 OK 24 98 - 25 - 10568/4.8=7, 10568/4.8=6...(8) HG13 ILE 76 - H LEU 29 OK 23 100 - 23 - 1288/2.9=5, 1287=3...(7) HG2 LYS 12 - H LEU 29 OK 21 92 - 23 - 1.8/6469=3, 1267/2.9=3...(11) HG2 LYS 13 - H LEU 29 lone 5 99 - 5 - HG3 ARG 91 - H LEU 29 lone 1 70 - 2 - Peak 6471 from nnoeabs.peaks (0.64, 8.45, 126.55 ppm; 3.87 A): 2 out of 3 assignments used, quality = 0.98: * QD2 LEU 29 + H LEU 29 OK 91 100 - 91 - 4.8=52, 1296/2.9=29...(15) QD1 LEU 29 + H LEU 29 OK 81 90 - 90 - 4.8=52, 1304/2.9=23...(14) QG2 VAL 54 - H LEU 29 OK 20 87 - 23 - 1269/2.9=4, 1277/4.0=3...(8) Peak 6472 from nnoeabs.peaks (0.65, 8.45, 126.55 ppm; 3.87 A): 2 out of 3 assignments used, quality = 0.98: * QD1 LEU 29 + H LEU 29 OK 91 100 - 91 - 4.8=52, 1304/2.9=29...(15) QD2 LEU 29 + H LEU 29 OK 80 90 - 89 - 4.8=52, 1296/2.9=24...(14) QG2 VAL 54 - H LEU 29 OK 26 100 - 26 - 1269/2.9=5, 1277/4.0=4...(8) Peak 6473 from nnoeabs.peaks (9.09, 8.45, 126.55 ppm; 5.13 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 30 + H LEU 29 OK 100 100 - 100 - 4.6=100 H VAL 83 - H LEU 29 OK 21 65 - 32 - 1278/4.0=5, 1286/4.0=5...(9) Peak 6474 from nnoeabs.peaks (9.09, 9.09, 125.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + H ARG 30 OK 100 100 - 100 Peak 6475 from nnoeabs.peaks (8.45, 9.09, 125.04 ppm; 3.84 A): 2 out of 3 assignments used, quality = 0.97: * H LEU 29 + H ARG 30 OK 89 100 - 89 - 4.6=58, 2.9/6476=37...(13) H ILE 7 + H ARG 30 OK 68 97 - 70 - 8238=27, 3.6/8698=26...(15) H LYS 53 - H ARG 30 OK 15 73 - 21 - 4.7/6489=3, 1303/4.6=3...(8) Peak 6476 from nnoeabs.peaks (5.66, 9.09, 125.04 ppm; 2.93 A): 1 out of 1 assignment used, quality = 0.79: * HA LEU 29 + H ARG 30 OK 79 100 - 79 - 3.6=55, 1296/4.6=10...(15) Peak 6477 from nnoeabs.peaks (1.16, 9.09, 125.04 ppm; 3.94 A): 1 out of 5 assignments used, quality = 0.96: * HB2 LEU 29 + H ARG 30 OK 96 100 - 96 - 4.3=74, 2.9/6476=39...(17) HB3 LEU 3 - H ARG 30 OK 30 92 - 33 - 1265/3.6=6, 3.0/6485=5...(11) HG2 LYS 40 - H ARG 30 OK 24 100 - 24 - 1265/3.6=4, 1281/4.3=4...(8) QG2 THR 31 - H ARG 30 OK 18 61 - 30 - 4.0/6491=17, 8731/4.6=3...(7) QG2 THR 34 - H ARG 30 lone 7 77 - 9 - 187/8698=2, 219/10232=1 Peak 6478 from nnoeabs.peaks (1.60, 9.09, 125.04 ppm; 3.76 A): 2 out of 13 assignments used, quality = 0.99: * HB3 LEU 29 + H ARG 30 OK 94 100 - 94 - 4.3=65, 2.9/6476=36...(14) HB2 ARG 30 + H ARG 30 OK 91 97 - 93 - 4.0=80, 1.8/6484=22...(14) HB2 ARG 79 - H ARG 30 OK 34 99 - 35 - 1331/4.0=4, 4.1/6489=4...(12) HD3 LYS 94 - H ARG 30 OK 22 100 - 22 - 4246/4.0=6, 3.0/6484=4...(8) HG2 ARG 19 - H ARG 30 OK 22 90 - 24 - 8518/4.6=9, 1298/4.6=4...(6) HG3 LYS 12 - H ARG 30 OK 21 100 - 21 - 1.8/6479=3, 3.0/8715=3...(8) HG LEU 27 - H ARG 30 OK 20 100 - 20 - 2.1/8713=3, 1266/3.6=2...(8) HG3 LYS 90 - H ARG 30 OK 15 87 - 17 - 1.8/6485=4, ~1315=3...(4) HD2 LYS 66 - H ARG 30 OK 10 99 - 10 - 3.6/8715=1 HB2 LEU 103 - H ARG 30 poor 9 90 - 10 - 1266/3.6=1, 6469/4.6=1 HG LEU 103 - H ARG 30 lone 4 81 - 5 - HG3 LYS 73 - H ARG 30 lone 4 100 - 3 - HG2 LYS 24 - H ARG 30 lone 2 92 - 3 - Peak 6479 from nnoeabs.peaks (1.44, 9.09, 125.04 ppm; 3.38 A): 6 out of 8 assignments used, quality = 0.95: * HG LEU 29 + H ARG 30 OK 76 100 - 76 - 3.6/6476=24, 2.1/1302=21...(14) QB ALA 22 + H ARG 30 OK 46 100 - 46 - 10453/3.6=13...(8) HG12 ILE 7 + H ARG 30 OK 26 90 - 29 - 4.5/8238=11, 2.1/10380=4...(10) HG13 ILE 76 + H ARG 30 OK 20 100 - 20 - 1294=5, 1288/3.6=3...(8) HG3 LYS 39 + H ARG 30 OK 20 98 - 20 - 10568/4.6=6, 10568/4.6=5...(7) HG2 LYS 12 + H ARG 30 OK 15 92 - 16 - 3.0/8715=2, 3.0/8715=2...(9) HG2 LYS 13 - H ARG 30 lone 4 99 - 4 - HG3 ARG 91 - H ARG 30 lone 2 70 - 3 - ~1317=1 Peak 6480 from nnoeabs.peaks (0.64, 9.09, 125.04 ppm; 3.33 A): 2 out of 3 assignments used, quality = 0.96: * QD2 LEU 29 + H ARG 30 OK 84 100 - 84 - 4.6=38, 8683/3.0=21...(16) QD1 LEU 29 + H ARG 30 OK 74 90 - 82 - 4.6=38, 2.1/1302=21...(18) QG2 VAL 54 - H ARG 30 OK 20 87 - 23 - 2.1/8713=5, 1269/3.6=3...(10) Peak 6481 from nnoeabs.peaks (0.65, 9.09, 125.04 ppm; 3.33 A): 2 out of 3 assignments used, quality = 0.96: * QD1 LEU 29 + H ARG 30 OK 83 100 - 83 - 4.6=38, 2.1/1302=21...(17) QD2 LEU 29 + H ARG 30 OK 74 90 - 83 - 4.6=38, 4.1/6476=20...(16) QG2 VAL 54 - H ARG 30 OK 26 100 - 26 - 2.1/8713=5, 1269/3.6=3...(11) Peak 6482 from nnoeabs.peaks (4.91, 9.09, 125.04 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 30 + H ARG 30 OK 100 100 - 100 - 3.0=100 Peak 6483 from nnoeabs.peaks (1.60, 9.09, 125.04 ppm; 3.76 A): 2 out of 13 assignments used, quality = 0.99: * HB2 ARG 30 + H ARG 30 OK 93 100 - 93 - 4.0=80, 1.8/6484=22...(14) HB3 LEU 29 + H ARG 30 OK 91 97 - 94 - 4.3=65, 2.9/6476=36...(15) HB2 ARG 79 - H ARG 30 OK 35 100 - 35 - 1331/4.0=5, 4.1/6489=4...(12) HD3 LYS 94 - H ARG 30 OK 22 99 - 22 - 4246/4.0=6, 3.0/6484=4...(9) HG LEU 27 - H ARG 30 OK 19 99 - 20 - 2.1/8713=3, 1266/3.6=2...(9) HG3 LYS 12 - H ARG 30 OK 19 94 - 20 - 1.8/6479=3, 3.0/8715=3...(8) HG2 ARG 19 - H ARG 30 OK 13 65 - 20 - 8518/4.6=5, 1298/4.6=4...(6) HD2 LYS 66 - H ARG 30 OK 10 100 - 10 - 3.6/8715=1 HG3 LYS 90 - H ARG 30 OK 10 61 - 16 - 1.8/6485=4, ~1315=3...(4) HB2 LEU 103 - H ARG 30 lone 6 65 - 10 - 1266/3.6=1, 6469/4.6=1 HG3 LYS 73 - H ARG 30 lone 4 99 - 3 - HG2 LYS 24 - H ARG 30 lone 2 70 - 2 - HG3 LYS 47 - H ARG 30 lone 1 61 - 1 - Peak 6484 from nnoeabs.peaks (1.37, 9.09, 125.04 ppm; 3.70 A): 5 out of 5 assignments used, quality = 0.95: * HB3 ARG 30 + H ARG 30 OK 90 100 - 90 - 4.0=76, 4.7/6491=13...(10) HG3 LYS 94 + H ARG 30 OK 22 92 - 24 - 1323/4.0=6, 1314/3.0=5...(9) HB2 LEU 70 + H ARG 30 OK 16 100 - 16 - 1314/3.0=3, 1323/4.0=3...(7) HG12 ILE 8 + H ARG 30 OK 15 96 - 15 - 1314/3.0=3, 6494/4.6=2...(8) HG3 LYS 40 + H ARG 30 OK 12 87 - 14 - 1.8/6477=5, 1821/4.3=2...(4) Peak 6485 from nnoeabs.peaks (1.29, 9.09, 125.04 ppm; 4.26 A): 2 out of 4 assignments used, quality = 0.95: * HG2 ARG 30 + H ARG 30 OK 93 100 - 93 - 4.9=65, 2.9/6484=21...(14) HG LEU 3 + H ARG 30 OK 34 99 - 34 - 3.0/6477=6, 1315/3.0=5...(11) HB3 LEU 42 - H ARG 30 OK 34 94 - 36 - 1333/4.0=6, 1315/3.0=6...(11) HG2 LYS 90 - H ARG 30 OK 28 97 - 29 - 1315/3.0=5, 1324/4.0=5...(10) Peak 6486 from nnoeabs.peaks (1.53, 9.09, 125.04 ppm; 3.97 A): 4 out of 10 assignments used, quality = 0.99: * HG3 ARG 30 + H ARG 30 OK 88 100 - 88 - 4.9=53, 2.9/6484=19...(15) HG LEU 6 + H ARG 30 OK 63 99 - 63 - 3.7/8698=27...(12) HG2 ARG 79 + H ARG 30 OK 49 99 - 49 - 1348/3.0=7, 1347=5...(17) HG3 ARG 79 + H ARG 30 OK 47 99 - 48 - 1348/3.0=6, 1.8/1347=5...(17) HB ILE 7 - H ARG 30 OK 40 96 - 42 - 4.0/8238=18, 3.2/10380=5...(12) HG12 ILE 56 - H ARG 30 OK 19 100 - 19 - 2584/8162=2, 6496/4.6=2...(9) HB2 LEU 14 - H ARG 30 OK 16 96 - 16 - 241/8238=2, 1325/4.0=1...(7) HB3 LEU 103 - H ARG 30 lone 9 97 - 9 - 1.8/6478=1 HG LEU 2 - H ARG 30 lone 7 77 - 9 - 68/4.6=2 HG2 LYS 33 - H ARG 30 lone 2 65 - 3 - Peak 6489 from nnoeabs.peaks (8.50, 9.09, 125.04 ppm; 3.96 A): 2 out of 6 assignments used, quality = 0.94: * H THR 31 + H ARG 30 OK 90 100 - 90 - 4.6=62, 6492/3.0=40...(14) H ARG 79 + H ARG 30 OK 40 100 - 41 - 1319/3.0=7, 1328/4.0=6...(14) H VAL 54 - H ARG 30 OK 31 98 - 32 - 6897/4.6=6, 12050/4.6=5...(13) H VAL 32 - H ARG 30 OK 26 73 - 36 - 4.6/6491=15, 1319/3.0=5...(11) H LEU 2 - H ARG 30 lone 8 84 - 9 - 1328/4.0=1, 1319/3.0=1 H ALA 67 - H ARG 30 lone 7 73 - 10 - 4.7/8715=1 Peak 6490 from nnoeabs.peaks (8.50, 8.50, 114.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 31 + H THR 31 OK 100 100 - 100 Peak 6491 from nnoeabs.peaks (9.09, 8.50, 114.75 ppm; 4.54 A): 1 out of 2 assignments used, quality = 0.99: * H ARG 30 + H THR 31 OK 99 100 - 99 - 4.6=94, 3.0/6492=46...(15) H VAL 83 - H THR 31 OK 17 65 - 26 - 8742/4.0=6, 1311/3.6=5...(7) Peak 6492 from nnoeabs.peaks (4.91, 8.50, 114.75 ppm; 2.78 A): 1 out of 1 assignment used, quality = 0.67: * HA ARG 30 + H THR 31 OK 67 100 - 67 - 3.6=47, 3.0/6491=9...(12) Peak 6493 from nnoeabs.peaks (1.60, 8.50, 114.75 ppm; 3.58 A): 4 out of 13 assignments used, quality = 0.94: * HB2 ARG 30 + H THR 31 OK 84 100 - 84 - 4.7=46, 3.0/6492=34...(10) HB3 LEU 29 + H THR 31 OK 37 97 - 38 - 4.3/6491=13...(8) HB2 ARG 79 + H THR 31 OK 33 100 - 34 - 3505=5, 1.8/3514=5...(11) HD3 LYS 94 + H THR 31 OK 12 99 - 12 - 4246/4.7=4, 3.0/6494=3...(4) HD2 LYS 66 - H THR 31 lone 9 100 - 9 - 2940/4.6=2 HG LEU 27 - H THR 31 lone 6 99 - 6 - HG3 LYS 90 - H THR 31 lone 4 61 - 7 - 1.8/6495=3 HG2 ARG 19 - H THR 31 lone 4 65 - 6 - 4.9/8499=1, 1298/12050=1 HG3 LYS 12 - H THR 31 lone 3 94 - 3 - HB2 LEU 103 - H THR 31 lone 3 65 - 4 - HG3 LYS 73 - H THR 31 lone 2 99 - 2 - HG2 LYS 24 - H THR 31 lone 1 70 - 1 - HG3 LYS 47 - H THR 31 lone 1 61 - 1 - Peak 6494 from nnoeabs.peaks (1.37, 8.50, 114.75 ppm; 3.98 A): 2 out of 5 assignments used, quality = 0.93: * HB3 ARG 30 + H THR 31 OK 91 100 - 91 - 4.7=63, 3.0/6492=40...(10) HG12 ILE 8 + H THR 31 OK 23 96 - 25 - 8294/4.6=5, 8294=3...(8) HG3 LYS 94 - H THR 31 OK 18 92 - 20 - 1323/4.7=5, 1314/3.6=5...(6) HB2 LEU 70 - H THR 31 OK 17 100 - 17 - 1314/3.6=3, 1323/4.7=3...(5) HG3 LYS 40 - H THR 31 lone 9 87 - 10 - 1314/3.6=2, 6484/4.6=2 Peak 6495 from nnoeabs.peaks (1.29, 8.50, 114.75 ppm; 4.66 A): 4 out of 4 assignments used, quality = 0.95: * HG2 ARG 30 + H THR 31 OK 85 100 - 85 - 3.9/6492=41, 2.9/6494=22...(11) HG LEU 3 + H THR 31 OK 34 99 - 34 - 3.0/6501=5, 1315/3.6=5...(10) HB3 LEU 42 + H THR 31 OK 31 94 - 34 - 3.1/8737=7, 1333/4.7=6...(9) HG2 LYS 90 + H THR 31 OK 22 97 - 23 - 1315/3.6=5, 1324/4.7=5...(7) Peak 6496 from nnoeabs.peaks (1.53, 8.50, 114.75 ppm; 4.16 A): 4 out of 10 assignments used, quality = 0.97: * HG3 ARG 30 + H THR 31 OK 80 100 - 80 - 3.9/6492=34, 2.9/6494=19...(10) HG2 ARG 79 + H THR 31 OK 47 99 - 48 - 3.0/6498=7, 1348/3.6=6...(14) HB ILE 7 + H THR 31 OK 47 96 - 49 - ~8255=12, 2.1/8736=11...(10) HG3 ARG 79 + H THR 31 OK 47 99 - 47 - 3.0/6498=7, 3.0/6498=6...(14) HG12 ILE 56 - H THR 31 OK 44 100 - 44 - 2578/3.0=9, ~2586=6...(14) HG LEU 6 - H THR 31 OK 42 99 - 43 - 2.1/8737=16, ~8221=5...(11) HB2 LEU 14 - H THR 31 OK 22 96 - 23 - 3.1/8737=5, 8254/3.0=2...(8) HG LEU 2 - H THR 31 OK 20 77 - 26 - 2.1/8736=5, 68=3...(8) HB3 LEU 103 - H THR 31 lone 8 97 - 8 - HG2 LYS 33 - H THR 31 lone 2 65 - 2 - Peak 6497 from nnoeabs.peaks (2.67, 8.50, 114.75 ppm; 5.20 A): 3 out of 3 assignments used, quality = 0.94: * HD2 ARG 30 + H THR 31 OK 88 100 - 88 - 1357/3.6=39, 3.6/6494=23...(10) HB3 ASN 51 + H THR 31 OK 37 100 - 37 - 4.0/11125=13, 1317/3.6=8...(6) HD3 ARG 91 + H THR 31 OK 17 90 - 19 - 1317/3.6=6, 1326/4.7=5...(5) Peak 6498 from nnoeabs.peaks (3.08, 8.50, 114.75 ppm; 4.45 A): 3 out of 7 assignments used, quality = 0.93: * HD3 ARG 30 + H THR 31 OK 80 100 - 81 - 1366/3.6=33, 1.8/6497=18...(10) HD3 ARG 79 + H THR 31 OK 43 92 - 47 - 1318/3.6=9, 3.8/3505=6...(12) HD2 ARG 79 + H THR 31 OK 40 87 - 46 - 1318/3.6=8, 3.8/3505=6...(12) HB2 TRP 92 - H THR 31 lone 5 70 - 7 - 3.9/8740=4 HB2 PHE 96 - H THR 31 lone 2 77 - 3 - HB3 ASN 26 - H THR 31 lone 2 70 - 2 - HB3 HIS 105 - H THR 31 lone 1 61 - 1 - Peak 6499 from nnoeabs.peaks (4.89, 8.50, 114.75 ppm; 3.07 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 31 + H THR 31 OK 100 100 - 100 - 3.0=100 HA ILE 56 - H THR 31 OK 18 94 - 19 - 1380/3.9=3, 1385/4.0=3...(10) Peak 6500 from nnoeabs.peaks (4.24, 8.50, 114.75 ppm; 3.76 A): 1 out of 3 assignments used, quality = 0.94: * HB THR 31 + H THR 31 OK 94 100 - 94 - 3.9=89, 2.1/6501=24...(7) HA SER 49 - H THR 31 OK 12 99 - 12 - 1376/3.0=4, 6506/4.6=3 HA ASP 87 - H THR 31 lone 2 70 - 3 - Peak 6501 from nnoeabs.peaks (1.14, 8.50, 114.75 ppm; 3.31 A): 4 out of 5 assignments used, quality = 0.85: * QG2 THR 31 + H THR 31 OK 75 100 - 75 - 4.0=57, 2.1/6500=23...(8) HB2 LEU 29 + H THR 31 OK 20 61 - 33 - 4.3/6491=10, 3.1/12050=9...(6) HB3 LEU 3 + H THR 31 OK 14 94 - 14 - 3.0/6495=3, 1377/3.0=2...(5) HG3 LYS 82 + H THR 31 OK 11 100 - 11 - 1377/3.0=2, 3691/4.6=2 HG2 LYS 40 - H THR 31 lone 4 70 - 6 - 1.8/6494=1 Peak 6503 from nnoeabs.peaks (8.48, 8.48, 122.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 32 + H VAL 32 OK 100 100 - 100 Peak 6505 from nnoeabs.peaks (4.89, 8.48, 122.32 ppm; 2.92 A): 2 out of 2 assignments used, quality = 0.75: * HA THR 31 + H VAL 32 OK 70 100 - 70 - 3.6=55, 3.0/6506=15...(5) HA ILE 56 + H VAL 32 OK 15 94 - 16 - 10165/4.0=5, 1385/4.0=2...(7) Peak 6506 from nnoeabs.peaks (4.24, 8.48, 122.32 ppm; 3.60 A): 2 out of 3 assignments used, quality = 0.79: * HB THR 31 + H VAL 32 OK 76 100 - 76 - 4.7=46, 3.0/6505=27...(6) HA SER 49 + H VAL 32 OK 13 99 - 13 - 1376/3.6=3, 1386/4.0=2...(4) HA ASP 87 - H VAL 32 lone 1 70 - 1 - Peak 6507 from nnoeabs.peaks (1.14, 8.48, 122.32 ppm; 3.77 A): 2 out of 5 assignments used, quality = 0.94: * QG2 THR 31 + H VAL 32 OK 92 100 - 92 - 4.0=81, 2.1/6506=31...(6) HB3 LEU 3 + H VAL 32 OK 22 94 - 23 - 10365=3, 3.1/8078=3...(10) HG3 LYS 82 - H VAL 32 lone 9 100 - 9 - 1377/3.6=3, 1382/4.7=2 HB2 LEU 29 - H VAL 32 poor 9 61 - 14 - 6501/4.6=3, 1377/3.6=3...(5) HG2 LYS 40 - H VAL 32 lone 6 70 - 9 - 8943/4.0=5 Peak 6508 from nnoeabs.peaks (4.41, 8.48, 122.32 ppm; 3.64 A): 1 out of 9 assignments used, quality = 1.00: * HA VAL 32 + H VAL 32 OK 100 100 - 100 - 3.0=100 HA MET 21 - H VAL 32 OK 12 100 - 12 - 3.6/10517=3, 1402/4.0=2...(5) HA ALA 25 - H VAL 32 OK 11 100 - 11 - 1402/4.0=2, 1396/3.9=2...(4) HA SER 9 - H VAL 32 OK 11 65 - 16 - 2.9/10516=11, 1396/3.9=1 HA MET 74 - H VAL 32 poor 10 96 - 10 - 1402/4.0=2, 1408/4.0=2...(7) HA GLN 50 - H VAL 32 poor 9 84 - 11 - 3.6/11125=6 HA ILE 76 - H VAL 32 lone 5 70 - 7 - 1396/3.9=1, 6515/4.6=1 HA HIS 106 - H VAL 32 lone 4 99 - 4 - HA GLU 48 - H VAL 32 lone 3 70 - 4 - Peak 6509 from nnoeabs.peaks (1.94, 8.48, 122.32 ppm; 3.39 A): 1 out of 11 assignments used, quality = 0.83: * HB VAL 32 + H VAL 32 OK 83 100 - 83 - 3.9=63, 2.1/6511=23...(7) HB3 LYS 20 - H VAL 32 lone 9 98 - 9 - 1391/3.0=2, 1403/4.0=2 HB3 ARG 19 - H VAL 32 lone 7 90 - 8 - 8728/4.7=2, 1391/3.0=1 HG3 GLU 88 - H VAL 32 lone 6 100 - 6 - 1391/3.0=2, 1409/4.0=1 HB2 LYS 94 - H VAL 32 lone 6 65 - 9 - 2.9/10513=4, 1391/3.0=1...(4) HB2 MET 1 - H VAL 32 lone 6 100 - 6 - 15/4.6=1 HB2 GLU 17 - H VAL 32 lone 4 100 - 4 - HB3 LYS 73 - H VAL 32 lone 4 73 - 5 - HB2 LYS 73 - H VAL 32 lone 3 70 - 5 - HB3 LYS 47 - H VAL 32 lone 2 73 - 3 - HB3 ARG 46 - H VAL 32 lone 2 61 - 2 - Peak 6510 from nnoeabs.peaks (0.91, 8.48, 122.32 ppm; 3.86 A): 1 out of 2 assignments used, quality = 0.96: * QG1 VAL 32 + H VAL 32 OK 96 100 - 96 - 4.0=89, 2.1/6511=28...(7) HG13 ILE 7 - H VAL 32 OK 27 81 - 33 - 8280/4.0=8, 1392/3.0=6...(8) Peak 6511 from nnoeabs.peaks (0.83, 8.48, 122.32 ppm; 3.25 A): 3 out of 5 assignments used, quality = 0.82: * QG2 VAL 32 + H VAL 32 OK 77 100 - 77 - 4.0=53, 2.1/6510=20...(7) QD1 LEU 57 + H VAL 32 OK 13 99 - 13 - 1393/3.0=4, 1399/3.9=3...(5) QD2 LEU 38 + H VAL 32 OK 11 94 - 11 - 1405/4.0=3, 1393/3.0=3...(4) QD2 LEU 103 - H VAL 32 lone 10 99 - 10 - 1393/3.0=3, 1399/3.9=2...(4) QD1 LEU 70 - H VAL 32 lone 4 73 - 6 - 3.1/10513=2 Peak 6512 from nnoeabs.peaks (9.30, 8.48, 122.32 ppm; 4.78 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 33 + H VAL 32 OK 100 100 - 100 - 4.6=100 H LEU 6 + H VAL 32 OK 49 90 - 54 - 1412/4.0=13, 1400/3.9=12...(9) Peak 6513 from nnoeabs.peaks (9.30, 9.30, 123.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 33 + H LYS 33 OK 100 100 - 100 Peak 6514 from nnoeabs.peaks (8.48, 9.30, 123.65 ppm; 4.91 A): 1 out of 6 assignments used, quality = 1.00: * H VAL 32 + H LYS 33 OK 100 100 - 100 - 4.6=100 H ALA 67 - H LYS 33 OK 39 100 - 39 - 9519/4.1=16, 1389/3.6=8...(6) H VAL 54 - H LYS 33 OK 23 92 - 25 - 4.0/10663=9, 4.6/9294=7...(7) H THR 31 - H LYS 33 OK 16 73 - 22 - 1407/4.1=5, 1389/3.6=5...(4) H LYS 53 - H LYS 33 OK 13 84 - 15 - 1401/4.1=2, 1389/3.6=2...(6) H ARG 79 - H LYS 33 poor 9 61 - 15 - 4.6/8744=4, 4.3/178=2...(4) Peak 6515 from nnoeabs.peaks (4.41, 9.30, 123.65 ppm; 2.82 A): 1 out of 9 assignments used, quality = 0.71: * HA VAL 32 + H LYS 33 OK 71 100 - 71 - 3.6=49, 3.0/6516=14...(7) HA MET 74 - H LYS 33 lone 6 96 - 6 - 3.0/8744=1, 1402/4.1=1 HA ALA 25 - H LYS 33 lone 5 100 - 5 - 1402/4.1=1, 1408/4.1=1 HA ILE 76 - H LYS 33 lone 5 70 - 7 - ~9637=4 HA MET 21 - H LYS 33 lone 5 100 - 5 - HA GLU 48 - H LYS 33 lone 4 70 - 6 - ~10190=2, ~10620=2 HA SER 9 - H LYS 33 lone 2 65 - 3 - HA HIS 106 - H LYS 33 lone 2 99 - 2 - HA GLN 50 - H LYS 33 lone 2 84 - 2 - Peak 6516 from nnoeabs.peaks (1.94, 9.30, 123.65 ppm; 3.02 A): 1 out of 11 assignments used, quality = 0.67: * HB VAL 32 + H LYS 33 OK 67 100 - 67 - 4.4=32, 2.1/6517=20...(6) HG3 GLU 88 - H LYS 33 lone 5 100 - 5 - 1391/3.6=1, 1409/4.1=1 HB3 LYS 20 - H LYS 33 lone 5 98 - 5 - 1403/4.1=1, 1391/3.6=1 HB3 LYS 73 - H LYS 33 lone 3 73 - 4 - 4.6/8744=1 HB3 ARG 19 - H LYS 33 lone 3 90 - 3 - HB2 LYS 73 - H LYS 33 lone 3 70 - 4 - 4.6/8744=1 HB2 GLU 17 - H LYS 33 lone 3 100 - 3 - HB2 LYS 94 - H LYS 33 lone 2 65 - 4 - HB3 LYS 47 - H LYS 33 lone 2 73 - 3 - HB2 MET 1 - H LYS 33 lone 2 100 - 2 - HB3 ARG 46 - H LYS 33 lone 1 61 - 1 - Peak 6517 from nnoeabs.peaks (0.91, 9.30, 123.65 ppm; 3.57 A): 2 out of 2 assignments used, quality = 0.94: * QG1 VAL 32 + H LYS 33 OK 92 100 - 93 - 4.1=66, 2.1/6516=28...(14) HG13 ILE 7 + H LYS 33 OK 22 81 - 27 - 1392/3.6=4, 1398/4.4=4...(8) Peak 6518 from nnoeabs.peaks (0.83, 9.30, 123.65 ppm; 4.01 A): 1 out of 5 assignments used, quality = 0.99: * QG2 VAL 32 + H LYS 33 OK 99 100 - 99 - 4.1=93, 2.1/6517=33...(12) QD1 LEU 57 - H LYS 33 OK 25 99 - 25 - 1393/3.6=4, 1399/4.4=4...(8) QD2 LEU 38 - H LYS 33 OK 23 94 - 25 - 4.5/10555=8, 1405/4.1=5...(6) QD2 LEU 103 - H LYS 33 OK 15 99 - 15 - 1393/3.6=3, 1405/4.1=3...(4) QD1 LEU 70 - H LYS 33 lone 7 73 - 9 - 1393/3.6=1 Peak 6519 from nnoeabs.peaks (4.53, 9.30, 123.65 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 33 + H LYS 33 OK 100 100 - 100 - 3.0=100 HA PHE 45 - H LYS 33 poor 10 81 - 12 - 1447/4.9=2, 1458/4.9=1...(7) Peak 6520 from nnoeabs.peaks (1.92, 9.30, 123.65 ppm; 3.02 A): 2 out of 10 assignments used, quality = 0.96: * HB2 LYS 33 + H LYS 33 OK 80 100 - 80 - 4.1=41, 2.8/6522=12...(17) HB3 LYS 33 + H LYS 33 OK 79 100 - 80 - 4.1=41, 2.8/6522=12...(17) HB2 LYS 13 - H LYS 33 lone 9 100 - 9 - 3.0/6523=2, 1415/3.0=1 HB3 LYS 13 - H LYS 33 lone 9 100 - 9 - 3.0/6523=2, 1415/3.0=1 HB3 LYS 47 - H LYS 33 lone 4 97 - 4 - 1415/3.0=1 HB3 LEU 14 - H LYS 33 lone 4 77 - 5 - HB2 LYS 94 - H LYS 33 lone 2 99 - 2 - HB3 LYS 20 - H LYS 33 lone 2 70 - 2 - HB3 ARG 19 - H LYS 33 lone 1 87 - 2 - HB2 GLU 43 - H LYS 33 lone 1 90 - 1 - Peak 6521 from nnoeabs.peaks (1.92, 9.30, 123.65 ppm; 3.02 A): 2 out of 11 assignments used, quality = 0.96: * HB3 LYS 33 + H LYS 33 OK 80 100 - 80 - 4.1=41, 2.8/6522=12...(17) HB2 LYS 33 + H LYS 33 OK 79 100 - 80 - 4.1=41, 2.8/6522=12...(17) HB3 LYS 13 - H LYS 33 lone 9 100 - 9 - 3.0/6523=2, 1415/3.0=1 HB2 LYS 13 - H LYS 33 lone 9 100 - 9 - 3.0/6523=2, 1415/3.0=1 HB3 LEU 14 - H LYS 33 lone 4 84 - 5 - HB3 LYS 47 - H LYS 33 lone 4 94 - 4 - 1415/3.0=1 HB2 LYS 94 - H LYS 33 lone 2 97 - 2 - HB3 LYS 20 - H LYS 33 lone 1 61 - 2 - HB3 ARG 19 - H LYS 33 lone 1 81 - 1 - HB2 GLU 43 - H LYS 33 lone 1 94 - 1 - HG LEU 42 - H LYS 33 lone 1 61 - 1 - Peak 6522 from nnoeabs.peaks (1.55, 9.30, 123.65 ppm; 3.65 A): 2 out of 9 assignments used, quality = 0.92: * HG2 LYS 33 + H LYS 33 OK 90 100 - 90 - 4.9=41, 1447/3.0=24...(19) HG12 ILE 56 + H LYS 33 OK 17 70 - 24 - 1.8/9313=7, 3.2/9311=5...(6) HB2 LEU 3 - H LYS 33 lone 9 99 - 9 - 1417/3.0=2, 1.8/8745=2 HD3 LYS 53 - H LYS 33 lone 7 99 - 7 - 2458/4.6=1, 1417/3.0=1 HG3 ARG 79 - H LYS 33 lone 6 84 - 7 - 1417/3.0=1 HB3 GLU 28 - H LYS 33 lone 5 77 - 7 - 1417/3.0=1 HG2 ARG 79 - H LYS 33 lone 5 81 - 6 - HG3 ARG 30 - H LYS 33 lone 2 65 - 3 - HD3 LYS 82 - H LYS 33 lone 2 65 - 2 - Peak 6523 from nnoeabs.peaks (1.50, 9.30, 123.65 ppm; 3.61 A): 5 out of 14 assignments used, quality = 0.95: * HG3 LYS 33 + H LYS 33 OK 90 100 - 90 - 4.9=39, 1.8/6522=23...(21) HG3 LYS 13 + H LYS 33 OK 20 97 - 20 - 1418/3.0=4, 1457=4...(8) HG LEU 57 + H LYS 33 OK 17 100 - 17 - 2.1/6518=4, 2631/4.1=3...(5) HB ILE 7 + H LYS 33 OK 13 65 - 20 - 2.9/6517=5, 4.0/6071=4...(7) HG3 LYS 24 + H LYS 33 OK 13 99 - 13 - 1457=3, 1458/3.0=2...(4) HB2 LEU 14 - H LYS 33 poor 7 65 - 11 - 10159/4.1=2, 10145/3.6=1 HG2 LYS 47 - H LYS 33 lone 7 84 - 8 - 1418/3.0=2 HG3 LYS 66 - H LYS 33 lone 5 90 - 6 - 10145/3.6=1, 2929/4.6=1 HG2 LYS 73 - H LYS 33 lone 5 87 - 5 - 2.9/6516=1 HB3 LEU 103 - H LYS 33 lone 5 61 - 8 - 3.1/6518=2, 10159/4.1=2 HG2 LYS 66 - H LYS 33 lone 5 84 - 5 - 10145/3.6=1, 2929/4.6=1 HG LEU 2 - H LYS 33 lone 4 90 - 5 - HB3 LEU 64 - H LYS 33 lone 3 81 - 4 - 1.8/8747=1 HB2 ARG 91 - H LYS 33 lone 1 65 - 2 - Peak 6524 from nnoeabs.peaks (1.72, 9.30, 123.65 ppm; 4.48 A): 2 out of 7 assignments used, quality = 1.00: * HD2 LYS 33 + H LYS 33 OK 96 100 - 96 - 6.1=39, 3.0/1446=25...(23) HD3 LYS 33 + H LYS 33 OK 96 100 - 96 - 6.1=39, 3.0/1446=25...(23) HB ILE 15 - H LYS 33 lone 8 99 - 8 - 1419/3.0=1, 1453/4.9=1 HB3 LEU 70 - H LYS 33 lone 8 94 - 8 - 3.1/6518=1, 6536/4.6=1 HD2 ARG 81 - H LYS 33 lone 7 100 - 7 - HB2 GLU 28 - H LYS 33 lone 5 65 - 7 - 1.8/6522=2, ~1417=1 HD2 LYS 90 - H LYS 33 lone 2 77 - 3 - Peak 6525 from nnoeabs.peaks (1.72, 9.30, 123.65 ppm; 4.48 A): 2 out of 7 assignments used, quality = 1.00: HD2 LYS 33 + H LYS 33 OK 96 100 - 96 - 6.1=39, 3.0/1446=25...(23) * HD3 LYS 33 + H LYS 33 OK 96 100 - 96 - 6.1=39, 3.0/1446=25...(23) HB ILE 15 - H LYS 33 lone 8 99 - 8 - 1419/3.0=1, 1453/4.9=1 HB3 LEU 70 - H LYS 33 lone 8 94 - 8 - 3.1/6518=1, 6536/4.6=1 HD2 ARG 81 - H LYS 33 lone 7 100 - 7 - HB2 GLU 28 - H LYS 33 lone 5 65 - 7 - 1.8/6522=2, ~1417=1 HD2 LYS 90 - H LYS 33 lone 2 77 - 3 - Peak 6528 from nnoeabs.peaks (7.25, 9.30, 123.65 ppm; 3.04 A): 2 out of 2 assignments used, quality = 0.79: * H THR 34 + H LYS 33 OK 74 100 - 74 - 6530=37, 8749/4.1=13...(17) HH2 TRP 92 + H LYS 33 OK 20 98 - 20 - 1423/3.0=3, 10149/3.6=3...(7) Peak 6529 from nnoeabs.peaks (7.25, 7.25, 106.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 34 + H THR 34 OK 100 100 - 100 Peak 6530 from nnoeabs.peaks (9.30, 7.25, 106.30 ppm; 2.87 A): 2 out of 2 assignments used, quality = 0.76: * H LYS 33 + H THR 34 OK 68 100 - 69 - 6528=33, 4.1/8749=12...(17) H LEU 6 + H THR 34 OK 23 90 - 25 - 8768/4.0=4, 1413/3.6=3...(12) Peak 6531 from nnoeabs.peaks (4.53, 7.25, 106.30 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 33 + H THR 34 OK 100 100 - 100 - 3.6=100 HA PHE 45 - H THR 34 lone 6 81 - 8 - 1447/4.9=2, 6519/4.6=2...(5) Peak 6532 from nnoeabs.peaks (1.92, 7.25, 106.30 ppm; 3.17 A): 2 out of 10 assignments used, quality = 0.91: * HB2 LYS 33 + H THR 34 OK 70 100 - 70 - 4.4=37, 4.1/6528=14...(9) HB3 LYS 33 + H THR 34 OK 69 100 - 70 - 4.4=37, 4.1/6528=14...(9) HB2 LYS 13 - H THR 34 lone 8 100 - 8 - 3.0/6535=2, 4.6/8769=2...(4) HB3 LYS 13 - H THR 34 lone 8 100 - 8 - 3.0/6535=2, 4.6/8769=2...(4) HB3 LEU 14 - H THR 34 lone 5 77 - 7 - 3.8/8769=2, 3.1/8751=1 HB3 LYS 47 - H THR 34 lone 5 97 - 5 - 1.8/8752=1 HB2 LYS 94 - H THR 34 lone 2 99 - 2 - HB2 GLU 43 - H THR 34 lone 1 90 - 2 - HB3 ARG 19 - H THR 34 lone 1 87 - 1 - HB3 LYS 20 - H THR 34 lone 1 70 - 1 - Peak 6533 from nnoeabs.peaks (1.92, 7.25, 106.30 ppm; 3.17 A): 2 out of 11 assignments used, quality = 0.91: * HB3 LYS 33 + H THR 34 OK 70 100 - 70 - 4.4=37, 4.1/6528=14...(9) HB2 LYS 33 + H THR 34 OK 69 100 - 70 - 4.4=37, 4.1/6528=14...(9) HB3 LYS 13 - H THR 34 lone 8 100 - 8 - 3.0/6535=2, 4.6/8769=2...(4) HB2 LYS 13 - H THR 34 lone 8 100 - 8 - 3.0/6535=2, 4.6/8769=2...(4) HB3 LEU 14 - H THR 34 lone 6 84 - 7 - 3.8/8769=2, 3.1/8751=1 HB3 LYS 47 - H THR 34 lone 4 94 - 5 - 1.8/8752=1 HG LEU 42 - H THR 34 lone 2 61 - 3 - 4.3/8762=2 HB2 LYS 94 - H THR 34 lone 2 97 - 2 - HB2 GLU 43 - H THR 34 lone 2 94 - 2 - HB3 ARG 19 - H THR 34 lone 1 81 - 1 - HB3 LYS 20 - H THR 34 lone 1 61 - 1 - Peak 6534 from nnoeabs.peaks (1.55, 7.25, 106.30 ppm; 4.39 A): 2 out of 9 assignments used, quality = 0.95: * HG2 LYS 33 + H THR 34 OK 94 100 - 94 - 4.9=70, 1447/3.6=29...(10) HG12 ILE 56 + H THR 34 OK 16 70 - 23 - 1.8/8751=7, 4.9/6543=4...(6) HB2 LEU 3 - H THR 34 lone 9 99 - 9 - 1417/3.6=2, 6522/4.6=2...(5) HD3 LYS 53 - H THR 34 lone 6 99 - 6 - 6522/4.6=1, 1417/3.6=1 HB3 GLU 28 - H THR 34 lone 5 77 - 6 - 1417/3.6=1 HG3 ARG 79 - H THR 34 lone 4 84 - 5 - 1417/3.6=1, 6522/4.6=1 HG2 ARG 79 - H THR 34 lone 4 81 - 5 - 1417/3.6=1 HG3 ARG 30 - H THR 34 lone 2 65 - 3 - HD3 LYS 82 - H THR 34 lone 2 65 - 2 - Peak 6535 from nnoeabs.peaks (1.50, 7.25, 106.30 ppm; 4.24 A): 4 out of 14 assignments used, quality = 0.95: * HG3 LYS 33 + H THR 34 OK 91 100 - 91 - 4.9=63, 1.8/6534=24...(10) HG3 LYS 13 + H THR 34 OK 20 97 - 21 - 1418/3.6=4, 1451/4.9=3...(8) HG LEU 57 + H THR 34 OK 13 100 - 13 - 2.1/8750=3, 6523/4.6=2...(5) HG3 LYS 24 + H THR 34 OK 13 99 - 13 - 1458/3.6=3, 1457/4.6=2...(6) HB ILE 7 - H THR 34 poor 10 65 - 14 - 2.9/8749=5, 2.1/8750=2...(5) HB2 LEU 14 - H THR 34 poor 9 65 - 14 - 3.8/8769=4, 3.1/8751=2...(4) HG2 LYS 47 - H THR 34 poor 9 84 - 10 - 1418/3.6=2, 3.0/8752=1 HG3 LYS 66 - H THR 34 lone 5 90 - 5 - 8776/4.6=1 HG LEU 2 - H THR 34 lone 5 90 - 5 - 2.1/8750=1 HG2 LYS 66 - H THR 34 lone 4 84 - 5 - 8776/4.6=1 HG2 LYS 73 - H THR 34 lone 4 87 - 5 - HB3 LEU 103 - H THR 34 lone 3 61 - 5 - 3.1/8750=1 HB3 LEU 64 - H THR 34 lone 3 81 - 4 - HB2 ARG 91 - H THR 34 lone 3 65 - 4 - 8776/4.6=2 Peak 6536 from nnoeabs.peaks (1.72, 7.25, 106.30 ppm; 5.04 A): 2 out of 7 assignments used, quality = 0.97: * HD2 LYS 33 + H THR 34 OK 82 100 - 82 - 3.0/6534=26, 6.1/6528=19...(9) HD3 LYS 33 + H THR 34 OK 82 100 - 82 - 3.0/6534=26, 6.1/6528=19...(9) HB3 LEU 70 - H THR 34 OK 12 94 - 13 - 3.1/8750=3, 3.1/8750=2...(4) HB ILE 15 - H THR 34 OK 12 99 - 12 - 2.1/8750=2, 1453/4.9=1...(5) HD2 ARG 81 - H THR 34 lone 9 100 - 9 - 1452/4.9=1, 3.0/8751=1 HB2 GLU 28 - H THR 34 lone 5 65 - 7 - 1.8/6534=2 HD2 LYS 90 - H THR 34 lone 3 77 - 4 - Peak 6537 from nnoeabs.peaks (1.72, 7.25, 106.30 ppm; 5.04 A): 2 out of 7 assignments used, quality = 0.97: HD2 LYS 33 + H THR 34 OK 82 100 - 82 - 3.0/6534=26, 6.1/6528=19...(9) * HD3 LYS 33 + H THR 34 OK 82 100 - 82 - 3.0/6534=26, 6.1/6528=19...(9) HB3 LEU 70 - H THR 34 OK 12 94 - 13 - 3.1/8750=3, 3.1/8750=2...(4) HB ILE 15 - H THR 34 OK 12 99 - 12 - 2.1/8750=2, 1453/4.9=1...(5) HD2 ARG 81 - H THR 34 lone 9 100 - 9 - 1452/4.9=1, 3.0/8751=1 HB2 GLU 28 - H THR 34 lone 5 65 - 7 - 1.8/6534=2 HD2 LYS 90 - H THR 34 lone 3 77 - 4 - Peak 6540 from nnoeabs.peaks (4.78, 7.25, 106.30 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 34 + H THR 34 OK 100 100 - 100 - 3.0=100 HA VAL 83 - H THR 34 poor 10 73 - 13 - 1523/4.0=3, 1518/4.0=3...(7) Peak 6541 from nnoeabs.peaks (4.59, 7.25, 106.30 ppm; 4.31 A): 1 out of 5 assignments used, quality = 1.00: * HB THR 34 + H THR 34 OK 100 100 - 100 - 4.0=100 HA ILE 8 - H THR 34 lone 7 73 - 10 - 8822/8805=2, 6547/4.6=2...(5) HA ASP 11 - H THR 34 lone 5 100 - 5 - 1524/4.0=1, 6547/4.6=1 HA THR 84 - H THR 34 lone 3 73 - 4 - ~7359=1 HA HIS 105 - H THR 34 lone 2 100 - 2 - Peak 6542 from nnoeabs.peaks (1.17, 7.25, 106.30 ppm; 3.35 A): 2 out of 4 assignments used, quality = 0.89: * QG2 THR 34 + H THR 34 OK 86 100 - 86 - 4.0=59, 1523/3.0=26...(15) HB2 LEU 6 + H THR 34 OK 26 99 - 26 - 4.0/6530=5, 1515/3.0=4...(10) HG2 LYS 40 - H THR 34 poor 8 70 - 11 - 8943/8749=3, 8745/4.6=1...(4) HB2 LEU 29 - H THR 34 lone 5 77 - 7 - Peak 6543 from nnoeabs.peaks (9.17, 7.25, 106.30 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 35 + H THR 34 OK 100 100 - 100 - 4.6=100 H ILE 56 - H THR 34 OK 26 81 - 31 - 4.9/8751=5, 1526/4.0=5...(10) Peak 6544 from nnoeabs.peaks (9.17, 9.17, 121.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 35 + H GLU 35 OK 100 100 - 100 Peak 6545 from nnoeabs.peaks (7.25, 9.17, 121.92 ppm; 4.93 A): 1 out of 2 assignments used, quality = 1.00: * H THR 34 + H GLU 35 OK 100 100 - 100 - 4.6=100 HH2 TRP 92 - H GLU 35 OK 23 98 - 23 - 14658/3.6=9, 1522/4.2=6...(5) Peak 6546 from nnoeabs.peaks (4.78, 9.17, 121.92 ppm; 2.95 A): 1 out of 2 assignments used, quality = 0.70: * HA THR 34 + H GLU 35 OK 70 100 - 70 - 3.6=56, 3.0/6547=17...(5) HA VAL 83 - H GLU 35 lone 4 73 - 6 - 1523/4.2=2, 1518/4.4=2 Peak 6547 from nnoeabs.peaks (4.59, 9.17, 121.92 ppm; 3.34 A): 1 out of 5 assignments used, quality = 0.74: * HB THR 34 + H GLU 35 OK 74 100 - 75 - 4.4=43, 3.0/6546=27...(7) HA ILE 8 - H GLU 35 lone 5 73 - 7 - 8794/4.6=2, 8822/8803=1 HA ASP 11 - H GLU 35 lone 3 100 - 3 - HA HIS 105 - H GLU 35 lone 1 100 - 1 - HA THR 84 - H GLU 35 lone 1 73 - 1 - Peak 6548 from nnoeabs.peaks (1.17, 9.17, 121.92 ppm; 3.96 A): 1 out of 4 assignments used, quality = 0.96: * QG2 THR 34 + H GLU 35 OK 96 100 - 96 - 4.2=84, 2.1/6547=37...(8) HB2 LEU 6 - H GLU 35 OK 22 99 - 22 - 1515/3.6=6, 6542/4.6=5...(6) HG2 LYS 40 - H GLU 35 lone 3 70 - 5 - 6542/4.6=1 HB2 LEU 29 - H GLU 35 lone 3 77 - 4 - Peak 6549 from nnoeabs.peaks (3.89, 9.17, 121.92 ppm; 3.67 A): 2 out of 8 assignments used, quality = 1.00: * HA GLU 35 + H GLU 35 OK 100 100 - 100 - 3.0=100 HA GLU 43 + H GLU 35 OK 47 99 - 48 - 1527=11, 2.9/6554=8...(21) HA LEU 38 - H GLU 35 OK 29 84 - 35 - 2.9/10554=8, ~12057=5...(11) HA ARG 91 - H GLU 35 OK 23 100 - 23 - 1527=6, 3.0/8776=3...(7) HA ALA 89 - H GLU 35 lone 4 81 - 5 - HA3 GLY 101 - H GLU 35 lone 4 98 - 4 - HB2 SER 102 - H GLU 35 lone 2 97 - 2 - HB2 SER 85 - H GLU 35 lone 2 73 - 3 - Peak 6550 from nnoeabs.peaks (2.01, 9.17, 121.92 ppm; 3.49 A): 3 out of 9 assignments used, quality = 0.90: * HB2 GLU 35 + H GLU 35 OK 86 100 - 86 - 4.0=64, 1.8/1541=25...(14) QE MET 74 + H GLU 35 OK 18 98 - 18 - 9610/3.0=4, 9585/4.6=4...(7) HB3 MET 1 + H GLU 35 OK 15 99 - 15 - 19/4.9=3, 19/4.9=3...(7) HB3 GLU 17 - H GLU 35 lone 6 100 - 6 - 1534=2 HB3 LYS 94 - H GLU 35 lone 6 77 - 8 - 4196/3.0=2, ~4184=1 HB2 GLU 62 - H GLU 35 lone 6 96 - 6 - 2737/4.0=2, 1.8/6551=1 HB2 GLU 44 - H GLU 35 lone 4 97 - 4 - HB3 GLU 44 - H GLU 35 lone 4 97 - 4 - HB2 GLN 50 - H GLU 35 lone 1 73 - 1 - Peak 6551 from nnoeabs.peaks (2.08, 9.17, 121.92 ppm; 3.49 A): 4 out of 12 assignments used, quality = 0.94: * HB3 GLU 35 + H GLU 35 OK 87 100 - 87 - 4.0=64, 1.8/1534=28...(14) HB3 LEU 38 + H GLU 35 OK 27 96 - 29 - 3.8/10554=6, 3.1/8775=5...(10) HB3 GLU 43 + H GLU 35 OK 25 73 - 35 - 3.0/1527=6, 4.0/6554=5...(13) HB3 GLU 88 + H GLU 35 OK 15 100 - 15 - 10306/3.0=3, 1.8/9920=2...(6) HB2 MET 74 - H GLU 35 poor 9 65 - 13 - 4.0/8771=3, 4.2/6550=2...(4) HB2 GLU 16 - H GLU 35 lone 7 99 - 7 - 1541=2, 1537/4.0=1, 1542/3.0=1 HB3 GLU 62 - H GLU 35 lone 7 96 - 7 - 2743/4.0=2, 1.8/6550=2 HB2 GLU 23 - H GLU 35 lone 5 98 - 5 - 1541=1 HG3 GLU 104 - H GLU 35 lone 1 70 - 2 - QE MET 21 - H GLU 35 lone 1 65 - 1 - HG2 GLU 28 - H GLU 35 lone 1 70 - 1 - HG3 GLU 28 - H GLU 35 lone 1 70 - 1 - Peak 6552 from nnoeabs.peaks (2.20, 9.17, 121.92 ppm; 3.68 A): 2 out of 9 assignments used, quality = 0.96: HG3 GLU 35 + H GLU 35 OK 81 100 - 81 - 4.9=42, 2.9/1534=24...(16) * HG2 GLU 35 + H GLU 35 OK 81 100 - 81 - 4.9=42, 2.9/1534=24...(16) HG2 GLU 43 - H GLU 35 OK 35 96 - 37 - 3.7/1527=6, 1548=5...(15) HG2 MET 1 - H GLU 35 OK 16 100 - 16 - 25/4.0=3, 3.0/6550=3...(6) HB2 GLU 95 - H GLU 35 lone 5 96 - 5 - 2.9/8777=3 HB2 GLU 63 - H GLU 35 lone 5 100 - 5 - HG3 PRO 86 - H GLU 35 lone 3 100 - 3 - HB3 GLU 75 - H GLU 35 lone 3 97 - 3 - 6561/4.6=1 HG2 GLU 98 - H GLU 35 lone 0 61 - 1 - Peak 6553 from nnoeabs.peaks (2.20, 9.17, 121.92 ppm; 3.68 A): 2 out of 9 assignments used, quality = 0.96: * HG3 GLU 35 + H GLU 35 OK 81 100 - 81 - 4.9=42, 2.9/1534=24...(16) HG2 GLU 35 + H GLU 35 OK 81 100 - 81 - 4.9=42, 2.9/1534=24...(16) HG2 GLU 43 - H GLU 35 OK 35 96 - 37 - 3.7/1527=6, 1548=5...(15) HG2 MET 1 - H GLU 35 OK 16 100 - 16 - 25/4.0=3, 3.0/6550=3...(6) HB2 GLU 95 - H GLU 35 lone 5 96 - 5 - 2.9/8777=3 HB2 GLU 63 - H GLU 35 lone 5 100 - 5 - HG3 PRO 86 - H GLU 35 lone 3 100 - 3 - HB3 GLU 75 - H GLU 35 lone 3 97 - 3 - 6561/4.6=1 HG2 GLU 98 - H GLU 35 lone 0 61 - 1 - Peak 6554 from nnoeabs.peaks (8.19, 9.17, 121.92 ppm; 3.76 A): 3 out of 3 assignments used, quality = 0.92: * H ASP 36 + H GLU 35 OK 85 100 - 85 - 4.6=53, 4.7/1534=16...(11) H GLU 43 + H GLU 35 OK 39 96 - 41 - 1540/4.0=7, 2.9/1527=7...(11) H LYS 68 + H GLU 35 OK 11 100 - 11 - 1540/4.0=2, 8767/4.2=1...(5) Peak 6555 from nnoeabs.peaks (8.19, 8.19, 118.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 36 + H ASP 36 OK 100 100 - 100 Peak 6556 from nnoeabs.peaks (9.17, 8.19, 118.33 ppm; 3.53 A): 1 out of 2 assignments used, quality = 0.79: * H GLU 35 + H ASP 36 OK 79 100 - 79 - 4.6=44, 1534/4.7=14...(11) H ILE 56 - H ASP 36 lone 8 81 - 10 - 8803/4.6=2, 1527/3.6=1...(4) Peak 6557 from nnoeabs.peaks (3.89, 8.19, 118.33 ppm; 3.83 A): 2 out of 8 assignments used, quality = 1.00: * HA GLU 35 + H ASP 36 OK 100 100 - 100 - 3.6=100 HA GLU 43 + H ASP 36 OK 47 99 - 48 - 3.0/1970=7, 3.0/1962=7...(11) HA LEU 38 - H ASP 36 OK 42 84 - 51 - ~10541=10, ~8940=7...(13) HA ARG 91 - H ASP 36 OK 17 100 - 17 - 1527/4.6=2, 1533=2...(5) HA3 GLY 101 - H ASP 36 lone 4 98 - 4 - HA ALA 89 - H ASP 36 lone 3 81 - 4 - HB2 SER 85 - H ASP 36 lone 2 73 - 3 - HB2 SER 102 - H ASP 36 lone 2 97 - 2 - Peak 6558 from nnoeabs.peaks (2.01, 8.19, 118.33 ppm; 3.41 A): 2 out of 9 assignments used, quality = 0.80: * HB2 GLU 35 + H ASP 36 OK 71 100 - 71 - 4.7=39, 1.8/1547=17...(8) QE MET 74 + H ASP 36 OK 30 98 - 31 - 9585=7, 10536/3.0=4...(9) HB3 MET 1 - H ASP 36 lone 9 99 - 9 - 6550/4.6=2, 1529/3.6=1...(5) HB3 GLU 44 - H ASP 36 lone 9 97 - 9 - 3.9/6704=4 HB2 GLU 44 - H ASP 36 lone 9 97 - 9 - 3.9/6704=4 HB2 GLU 62 - H ASP 36 lone 6 96 - 6 - 2737/4.7=1, 1.8/6559=1 HB3 GLU 17 - H ASP 36 lone 6 100 - 6 - HB3 LYS 94 - H ASP 36 lone 5 77 - 6 - 4196/3.6=2 HB2 GLN 50 - H ASP 36 lone 1 73 - 2 - Peak 6559 from nnoeabs.peaks (2.08, 8.19, 118.33 ppm; 3.57 A): 4 out of 12 assignments used, quality = 0.90: * HB3 GLU 35 + H ASP 36 OK 76 100 - 76 - 4.7=45, 1.8/6558=19...(8) HB3 LEU 38 + H ASP 36 OK 31 96 - 32 - 3.0/6557=5, 4.6/10556=4...(11) HB3 GLU 43 + H ASP 36 OK 28 73 - 38 - 1.8/1962=8, 1970=6...(10) HB3 GLU 88 + H ASP 36 OK 15 100 - 15 - 3.9/8772=5, 10306/3.6=3...(4) HB2 MET 74 - H ASP 36 poor 9 65 - 15 - 4.2/6558=4, 4.0/6565=4 HB2 GLU 23 - H ASP 36 lone 7 98 - 7 - 1547=2 HB2 GLU 16 - H ASP 36 lone 7 99 - 7 - 1547=2 HB3 GLU 62 - H ASP 36 lone 6 96 - 6 - 2743/4.7=2, 1.8/6558=2 HG3 GLU 104 - H ASP 36 lone 4 70 - 5 - 3.0/8778=1, 3.0/8779=1 QE MET 21 - H ASP 36 lone 2 65 - 2 - HG2 GLU 28 - H ASP 36 lone 1 70 - 1 - HG3 GLU 28 - H ASP 36 lone 1 70 - 1 - Peak 6560 from nnoeabs.peaks (2.20, 8.19, 118.33 ppm; 3.70 A): 5 out of 9 assignments used, quality = 0.93: HG3 GLU 35 + H ASP 36 OK 61 100 - 61 - 4.9/6556=15, 2.9/6558=15...(9) * HG2 GLU 35 + H ASP 36 OK 61 100 - 61 - 4.9/6556=15, 2.9/6558=15...(9) HG2 GLU 43 + H ASP 36 OK 37 96 - 39 - 1.8/1984=8, 3.0/1970=7...(10) HB3 GLU 75 + H ASP 36 OK 12 97 - 12 - 4.1/8772=9 HG2 MET 1 + H ASP 36 OK 11 100 - 11 - 25/4.7=3, 3.0/6558=2...(5) HB2 GLU 63 - H ASP 36 lone 9 100 - 9 - 2777/3.6=2, 10534/3.0=2 HG3 PRO 86 - H ASP 36 lone 6 100 - 6 - ~10535=1 HB2 GLU 95 - H ASP 36 lone 3 96 - 3 - HG2 GLU 98 - H ASP 36 lone 0 61 - 1 - Peak 6561 from nnoeabs.peaks (2.20, 8.19, 118.33 ppm; 3.70 A): 5 out of 9 assignments used, quality = 0.93: * HG3 GLU 35 + H ASP 36 OK 61 100 - 61 - 4.9/6556=15, 2.9/6558=15...(9) HG2 GLU 35 + H ASP 36 OK 61 100 - 61 - 4.9/6556=15, 2.9/6558=15...(9) HG2 GLU 43 + H ASP 36 OK 37 96 - 39 - 1.8/1984=8, 3.0/1970=7...(10) HB3 GLU 75 + H ASP 36 OK 12 97 - 12 - 4.1/8772=9 HG2 MET 1 + H ASP 36 OK 11 100 - 11 - 25/4.7=3, 3.0/6558=2...(5) HB2 GLU 63 - H ASP 36 lone 9 100 - 9 - 2777/3.6=2, 10534/3.0=2 HG3 PRO 86 - H ASP 36 lone 6 100 - 6 - ~10535=1 HB2 GLU 95 - H ASP 36 lone 3 96 - 3 - HG2 GLU 98 - H ASP 36 lone 0 61 - 1 - Peak 6562 from nnoeabs.peaks (4.29, 8.19, 118.33 ppm; 3.17 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 36 + H ASP 36 OK 100 100 - 100 - 3.0=100 HA LEU 103 - H ASP 36 lone 5 87 - 6 - Peak 6563 from nnoeabs.peaks (2.50, 8.19, 118.33 ppm; 2.76 A): 2 out of 8 assignments used, quality = 0.90: * HB2 ASP 36 + H ASP 36 OK 68 100 - 69 - 3.6=46, 1.8/1572=11...(10) HB3 ASP 36 + H ASP 36 OK 68 100 - 68 - 3.6=46, 1.8/1572=11...(9) HB2 ASP 87 - H ASP 36 lone 7 96 - 8 - 4.6/8772=2, 1567=1 HB3 ASP 87 - H ASP 36 lone 7 96 - 8 - 4.6/8772=2, 1567=1 HG3 GLU 63 - H ASP 36 lone 2 92 - 2 - HD2 ARG 91 - H ASP 36 lone 2 61 - 3 - HB2 ASP 61 - H ASP 36 lone 2 99 - 2 - HG3 GLU 23 - H ASP 36 lone 1 77 - 2 - Peak 6564 from nnoeabs.peaks (2.51, 8.19, 118.33 ppm; 2.76 A): 2 out of 9 assignments used, quality = 0.90: HB2 ASP 36 + H ASP 36 OK 68 100 - 69 - 3.6=46, 1.8/1572=11...(9) * HB3 ASP 36 + H ASP 36 OK 68 100 - 68 - 3.6=46, 1.8/1572=11...(9) HB2 ASP 87 - H ASP 36 lone 7 94 - 8 - 4.6/8772=2, 1567=1 HB3 ASP 87 - H ASP 36 lone 7 94 - 8 - 4.6/8772=2, 1567=1 HG3 GLU 63 - H ASP 36 lone 2 94 - 2 - HB2 ASP 61 - H ASP 36 lone 2 100 - 2 - HD2 ARG 91 - H ASP 36 lone 2 57 - 3 - HG3 GLU 23 - H ASP 36 lone 1 73 - 2 - HG3 GLU 95 - H ASP 36 lone 1 61 - 2 - Peak 6565 from nnoeabs.peaks (7.74, 8.19, 118.33 ppm; 3.12 A): 2 out of 5 assignments used, quality = 0.65: * H GLU 37 + H ASP 36 OK 59 100 - 59 - 4.6=32, 6569/3.6=8...(10) H MET 74 + H ASP 36 OK 15 99 - 15 - 1566/3.0=3, 7230/4.7=2...(5) H ASN 60 - H ASP 36 lone 4 90 - 5 - 1566/3.0=1 H VAL 78 - H ASP 36 lone 3 84 - 4 - H SER 49 - H ASP 36 lone 1 73 - 1 - Peak 6566 from nnoeabs.peaks (7.74, 7.74, 120.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + H GLU 37 OK 100 100 - 100 Peak 6567 from nnoeabs.peaks (8.19, 7.74, 120.70 ppm; 3.26 A): 2 out of 3 assignments used, quality = 0.72: * H ASP 36 + H GLU 37 OK 64 100 - 64 - 4.6=36, 3.6/6569=9...(10) H GLU 43 + H GLU 37 OK 23 96 - 24 - 3.6/6571=5, 6686/3.0=5...(6) H LYS 68 - H GLU 37 lone 10 100 - 10 - 1562/3.6=3 Peak 6568 from nnoeabs.peaks (4.29, 7.74, 120.70 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 36 + H GLU 37 OK 100 100 - 100 - 3.6=100 HA LEU 103 - H GLU 37 poor 9 87 - 11 - 8940/4.6=5, 3.9/8832=2...(4) Peak 6569 from nnoeabs.peaks (2.50, 7.74, 120.70 ppm; 3.21 A): 2 out of 8 assignments used, quality = 0.92: * HB2 ASP 36 + H GLU 37 OK 72 100 - 72 - 4.0=50, 3.6/6565=15...(10) HB3 ASP 36 + H GLU 37 OK 72 100 - 72 - 4.0=50, 3.6/6565=15...(10) HB2 ASP 87 - H GLU 37 lone 8 96 - 8 - 1571=1, 8833/3.0=1 HB3 ASP 87 - H GLU 37 lone 8 96 - 8 - 1571=1, 8833/3.0=1 HB2 ASP 61 - H GLU 37 lone 5 99 - 5 - HD2 ARG 91 - H GLU 37 lone 4 61 - 6 - 4.8/8821=1 HG3 GLU 23 - H GLU 37 lone 3 77 - 3 - 1.8/6574=1 HG3 GLU 63 - H GLU 37 lone 2 92 - 3 - Peak 6570 from nnoeabs.peaks (2.51, 7.74, 120.70 ppm; 3.21 A): 2 out of 9 assignments used, quality = 0.92: HB2 ASP 36 + H GLU 37 OK 72 100 - 72 - 4.0=50, 3.6/6565=15...(10) * HB3 ASP 36 + H GLU 37 OK 72 100 - 72 - 4.0=50, 3.6/6565=15...(10) HB2 ASP 87 - H GLU 37 lone 8 94 - 8 - 1571=1, 8833/3.0=1 HB3 ASP 87 - H GLU 37 lone 8 94 - 8 - 1571=1, 8833/3.0=1 HB2 ASP 61 - H GLU 37 lone 5 100 - 5 - HD2 ARG 91 - H GLU 37 lone 3 57 - 6 - 4.8/8821=1 HG3 GLU 95 - H GLU 37 lone 3 61 - 4 - 1.8/6574=1 HG3 GLU 63 - H GLU 37 lone 3 94 - 3 - HG3 GLU 23 - H GLU 37 lone 3 73 - 3 - 1.8/6574=1 Peak 6571 from nnoeabs.peaks (3.71, 7.74, 120.70 ppm; 3.31 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 37 + H GLU 37 OK 100 100 - 100 - 3.0=100 HA LEU 42 - H GLU 37 OK 35 99 - 35 - 10345/5.0=5, 3.6/6567=5...(12) HA3 GLY 100 - H GLU 37 OK 13 97 - 13 - 1595/4.1=2, 1588/4.1=2...(6) Peak 6572 from nnoeabs.peaks (1.98, 7.74, 120.70 ppm; 3.31 A): 3 out of 8 assignments used, quality = 0.90: * HB2 GLU 37 + H GLU 37 OK 85 100 - 85 - 4.1=54, 1.8/6573=20...(16) HB3 MET 74 + H GLU 37 OK 27 77 - 36 - 2.9/3358=5, 3.0/3326=5...(12) HB2 ARG 46 + H GLU 37 OK 11 100 - 11 - 1579/3.0=2, 6581/4.6=2 HB2 LYS 47 - H GLU 37 lone 7 94 - 8 - 1579/3.0=1 QE MET 1 - H GLU 37 lone 6 100 - 6 - 1579/3.0=1 HB3 ARG 46 - H GLU 37 lone 4 65 - 7 - ~1579=1, 1579/3.0=1 HB2 LYS 24 - H GLU 37 lone 4 77 - 5 - HB3 LYS 24 - H GLU 37 lone 4 77 - 5 - Peak 6573 from nnoeabs.peaks (2.13, 7.74, 120.70 ppm; 2.94 A): 2 out of 11 assignments used, quality = 0.85: * HB3 GLU 37 + H GLU 37 OK 72 100 - 72 - 4.1=38, 1.8/6572=16...(13) HG3 GLU 37 + H GLU 37 OK 45 73 - 61 - 5.0=21, 1.8/6574=14...(11) HB2 GLU 75 - H GLU 37 lone 9 92 - 9 - 4.0/7233=3, 2.9/9625=2 HB2 LEU 64 - H GLU 37 lone 4 84 - 5 - 3.1/8832=1 HB2 PRO 86 - H GLU 37 lone 4 98 - 4 - HB VAL 83 - H GLU 37 lone 3 84 - 3 - HB2 GLU 69 - H GLU 37 lone 2 100 - 2 - HB3 GLU 69 - H GLU 37 lone 2 100 - 2 - HG2 GLU 69 - H GLU 37 lone 2 100 - 2 - HG2 GLU 44 - H GLU 37 lone 2 94 - 2 - HG2 GLU 88 - H GLU 37 lone 1 73 - 2 - Peak 6574 from nnoeabs.peaks (2.26, 7.74, 120.70 ppm; 3.37 A): 3 out of 6 assignments used, quality = 0.88: * HG2 GLU 37 + H GLU 37 OK 77 100 - 77 - 5.0=31, 1.8/6575=19...(13) HG2 GLU 62 + H GLU 37 OK 29 99 - 30 - 1581/3.0=5, 1601=4...(10) HG3 GLU 62 + H GLU 37 OK 29 99 - 30 - 1581/3.0=5, 1601=4...(10) HG2 GLU 23 - H GLU 37 lone 5 87 - 6 - HG2 GLU 95 - H GLU 37 lone 5 84 - 6 - HG2 GLU 17 - H GLU 37 lone 2 81 - 3 - Peak 6575 from nnoeabs.peaks (2.11, 7.74, 120.70 ppm; 2.94 A): 2 out of 11 assignments used, quality = 0.85: * HG3 GLU 37 + H GLU 37 OK 68 100 - 68 - 5.0=21, 1.8/6574=14...(15) HB3 GLU 37 + H GLU 37 OK 52 73 - 71 - 4.1=38, 1.8/6572=16...(13) HB2 LEU 64 - H GLU 37 lone 7 100 - 7 - 3.1/8832=1 HB3 PRO 86 - H GLU 37 lone 6 99 - 6 - HB VAL 83 - H GLU 37 lone 5 100 - 5 - HB2 PRO 86 - H GLU 37 lone 4 92 - 4 - QE MET 21 - H GLU 37 lone 3 90 - 3 - HG3 GLU 104 - H GLU 37 lone 2 87 - 3 - HB2 GLU 69 - H GLU 37 lone 1 70 - 1 - HB3 GLU 69 - H GLU 37 lone 1 70 - 1 - HG2 GLU 69 - H GLU 37 lone 1 70 - 1 - Peak 6576 from nnoeabs.peaks (7.53, 7.74, 120.70 ppm; 3.15 A): 1 out of 1 assignment used, quality = 0.76: * H LEU 38 + H GLU 37 OK 76 100 - 76 - 4.6=31, 1600/4.1=13...(20) Peak 6577 from nnoeabs.peaks (8.08, 7.74, 120.70 ppm; 4.55 A): 3 out of 5 assignments used, quality = 0.90: * H LYS 39 + H GLU 37 OK 76 100 - 76 - 4.6/6576=30, 8949/3.6=25...(13) H GLU 75 + H GLU 37 OK 51 97 - 53 - 7233=12, 3.6/3326=8...(12) H LYS 13 + H GLU 37 OK 19 96 - 20 - 8390/8822=9, 6591/4.6=4 H ILE 15 - H GLU 37 lone 9 94 - 10 - 6591/4.6=3 H GLU 17 - H GLU 37 lone 3 57 - 5 - Peak 6578 from nnoeabs.peaks (7.53, 7.53, 119.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + H LEU 38 OK 100 100 - 100 Peak 6579 from nnoeabs.peaks (7.74, 7.53, 119.20 ppm; 3.19 A): 2 out of 5 assignments used, quality = 0.89: * H GLU 37 + H LEU 38 OK 83 100 - 83 - 6576=50, 4.1/1600=14...(20) H MET 74 + H LEU 38 OK 33 99 - 34 - 1577/3.6=4, 10858/2.9=4...(13) H ASN 60 - H LEU 38 lone 6 90 - 6 - H VAL 78 - H LEU 38 lone 6 84 - 7 - 4.0/8851=1 H SER 49 - H LEU 38 lone 4 73 - 6 - Peak 6580 from nnoeabs.peaks (3.71, 7.53, 119.20 ppm; 4.04 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 37 + H LEU 38 OK 100 100 - 100 - 3.6=100 HA LEU 42 + H LEU 38 OK 50 99 - 51 - 3.6/8941=8, 3.0/8853=7...(14) HA3 GLY 100 - H LEU 38 OK 22 97 - 23 - 6615/6616=3, 1595/4.6=2...(10) Peak 6581 from nnoeabs.peaks (1.98, 7.53, 119.20 ppm; 3.55 A): 4 out of 8 assignments used, quality = 0.91: * HB2 GLU 37 + H LEU 38 OK 83 100 - 83 - 4.6=45, 1.8/1600=28...(10) HB3 MET 74 + H LEU 38 OK 24 77 - 32 - 4.0/6579=6, 1.8/6587=5...(11) HB2 ARG 46 + H LEU 38 OK 22 100 - 23 - 3.0/8853=5, 2066/2.9=3...(9) HB3 ARG 46 + H LEU 38 OK 11 65 - 16 - 3.0/8853=5, ~2066=2...(6) HB2 LYS 47 - H LEU 38 lone 8 94 - 8 - 1579/3.6=1, 4.7/6592=1 QE MET 1 - H LEU 38 lone 8 100 - 8 - 8031/2.9=2, 1579/3.6=1 HB2 LYS 24 - H LEU 38 lone 2 77 - 3 - HB3 LYS 24 - H LEU 38 lone 2 77 - 3 - Peak 6582 from nnoeabs.peaks (2.13, 7.53, 119.20 ppm; 3.15 A): 2 out of 11 assignments used, quality = 0.84: * HB3 GLU 37 + H LEU 38 OK 71 100 - 71 - 4.6=31, 1.8/1593=21...(9) HG3 GLU 37 + H LEU 38 OK 43 73 - 59 - 3.0/1600=17, 3.0/1593=17...(8) HB2 LEU 64 - H LEU 38 poor 9 84 - 10 - 3.1/6590=4, 2815/4.5=2...(4) HB2 GLU 75 - H LEU 38 lone 5 92 - 6 - 4.0/6591=3 HG2 GLU 88 - H LEU 38 lone 4 73 - 5 - 3.0/8853=1, 3.0/6587=1 HB VAL 83 - H LEU 38 lone 3 84 - 4 - HB2 PRO 86 - H LEU 38 lone 3 98 - 3 - HG2 GLU 44 - H LEU 38 lone 1 94 - 2 - HB2 GLU 69 - H LEU 38 lone 1 100 - 1 - HB3 GLU 69 - H LEU 38 lone 1 100 - 1 - HG2 GLU 69 - H LEU 38 lone 1 100 - 1 - Peak 6583 from nnoeabs.peaks (2.26, 7.53, 119.20 ppm; 4.52 A): 3 out of 6 assignments used, quality = 0.97: * HG2 GLU 37 + H LEU 38 OK 92 100 - 92 - 1.8/1614=41, 3.0/1600=35...(14) HG2 GLU 62 + H LEU 38 OK 42 99 - 42 - 1607=8, 1581/3.6=8...(10) HG3 GLU 62 + H LEU 38 OK 42 99 - 42 - 1607=8, 1581/3.6=8...(10) HG2 GLU 23 - H LEU 38 OK 10 87 - 12 - 10460/3.8=2, 1581/3.6=1...(4) HG2 GLU 95 - H LEU 38 lone 8 84 - 10 - 1.8/8854=2, 8754/8769=1 HG2 GLU 17 - H LEU 38 lone 4 81 - 5 - Peak 6584 from nnoeabs.peaks (2.11, 7.53, 119.20 ppm; 3.15 A): 3 out of 11 assignments used, quality = 0.86: * HG3 GLU 37 + H LEU 38 OK 68 100 - 68 - 1614=19, 3.0/1600=17...(14) HB3 GLU 37 + H LEU 38 OK 51 73 - 69 - 4.6=31, 1.8/1593=21...(9) HB2 LEU 64 + H LEU 38 OK 13 100 - 12 - 3.1/6590=4, 2815/4.5=3...(4) HB VAL 83 - H LEU 38 lone 6 100 - 6 - HB3 PRO 86 - H LEU 38 lone 5 99 - 5 - HG3 GLU 104 - H LEU 38 lone 3 87 - 4 - QE MET 21 - H LEU 38 lone 3 90 - 3 - HB2 PRO 86 - H LEU 38 lone 3 92 - 3 - HB2 GLU 69 - H LEU 38 lone 1 70 - 1 - HB3 GLU 69 - H LEU 38 lone 1 70 - 1 - HG2 GLU 69 - H LEU 38 lone 1 70 - 1 - Peak 6585 from nnoeabs.peaks (3.87, 7.53, 119.20 ppm; 3.12 A): 2 out of 12 assignments used, quality = 1.00: * HA LEU 38 + H LEU 38 OK 100 100 - 100 - 2.9=100 HA LYS 40 + H LEU 38 OK 49 94 - 52 - 2.9/6616=18, 3.6/8884=11...(16) HA GLU 35 - H LEU 38 OK 31 84 - 37 - 4.9/10541=8, 12057=6...(13) HA GLU 43 - H LEU 38 OK 31 94 - 33 - 2.9/8941=5, 12057=4...(15) HA ARG 91 - H LEU 38 OK 13 81 - 16 - 12057=3, 4.0/1642=2...(5) HA2 GLY 100 - H LEU 38 OK 10 96 - 10 - 1.8/6580=3, 10543/3.6=1 HA LYS 94 - H LEU 38 lone 7 96 - 8 - HA LYS 12 - H LEU 38 lone 5 61 - 9 - 3.6/6591=3 HA2 GLY 101 - H LEU 38 lone 5 96 - 5 - HB3 SER 49 - H LEU 38 lone 5 70 - 7 - 9071/4.5=1 HA3 GLY 101 - H LEU 38 lone 2 61 - 3 - HB2 SER 102 - H LEU 38 lone 1 57 - 1 - Peak 6586 from nnoeabs.peaks (1.46, 7.53, 119.20 ppm; 2.99 A): 2 out of 15 assignments used, quality = 0.95: * HB2 LEU 38 + H LEU 38 OK 81 100 - 81 - 3.8=48, 1.8/1634=24...(15) HG LEU 38 + H LEU 38 OK 71 99 - 71 - 3.0/1634=18, 5.3=18...(14) HD2 LYS 40 - H LEU 38 OK 27 94 - 29 - 6.2/6616=6, 12310/3.6=3...(12) HD3 LYS 40 - H LEU 38 OK 26 92 - 29 - 6.2/6616=6, 12310/3.6=3...(13) HG3 LYS 39 - H LEU 38 OK 20 81 - 25 - 5.2/6596=9, 3.9/10547=9...(7) HG3 ARG 91 - H LEU 38 OK 17 100 - 17 - 1642=3, 4.0/12057=3...(6) HG13 ILE 52 - H LEU 38 OK 13 100 - 13 - 1642=3, 1648/4.5=1...(5) HG2 LYS 20 - H LEU 38 lone 7 100 - 7 - HG2 LYS 12 - H LEU 38 lone 6 92 - 7 - 425/4.6=2 HD2 LYS 82 - H LEU 38 lone 6 99 - 6 - 10940/4.5=1 HD2 LYS 53 - H LEU 38 lone 5 99 - 5 - HB2 LEU 27 - H LEU 38 lone 4 100 - 4 - HG2 LYS 53 - H LEU 38 lone 4 96 - 4 - HG3 LYS 53 - H LEU 38 lone 4 84 - 4 - HG13 ILE 76 - H LEU 38 lone 2 61 - 3 - Peak 6587 from nnoeabs.peaks (2.07, 7.53, 119.20 ppm; 3.08 A): 4 out of 10 assignments used, quality = 0.93: * HB3 LEU 38 + H LEU 38 OK 82 100 - 82 - 3.8=52, 1.8/1626=25...(13) HB3 GLU 43 + H LEU 38 OK 31 96 - 32 - 3.0/12057=6, 1969/2.9=5...(12) HB3 GLU 35 + H LEU 38 OK 27 96 - 28 - 3.0/12057=9, 4.0/10554=5...(9) HB2 MET 74 + H LEU 38 OK 23 92 - 26 - 1.8/6581=4, 4.0/6579=4...(11) HB3 GLU 88 - H LEU 38 lone 9 99 - 8 - 1.8/8853=1, 1618/2.9=1 HB2 GLU 16 - H LEU 38 lone 7 100 - 7 - 1618/2.9=1, 1629/3.8=1 HB3 GLU 62 - H LEU 38 lone 6 73 - 8 - 2.9/6583=3, 2.9/6583=3 HB2 GLU 23 - H LEU 38 lone 4 81 - 5 - HG3 GLU 28 - H LEU 38 lone 2 94 - 2 - HG2 GLU 28 - H LEU 38 lone 2 94 - 2 - Peak 6588 from nnoeabs.peaks (1.46, 7.53, 119.20 ppm; 2.99 A): 2 out of 14 assignments used, quality = 0.95: HB2 LEU 38 + H LEU 38 OK 81 99 - 81 - 3.8=48, 1.8/1634=24...(16) * HG LEU 38 + H LEU 38 OK 71 100 - 71 - 3.0/1634=18, 5.3=18...(15) HD2 LYS 40 - H LEU 38 OK 29 99 - 29 - 6.2/6616=6, 12310/3.6=3...(12) HD3 LYS 40 - H LEU 38 OK 28 98 - 29 - 6.2/6616=6, 12310/3.6=3...(13) HG3 ARG 91 - H LEU 38 OK 16 97 - 17 - 1642=3, 4.0/12057=3...(6) HG3 LYS 39 - H LEU 38 OK 16 65 - 25 - 5.2/6596=9, 3.9/10547=9...(7) HG13 ILE 52 - H LEU 38 OK 13 100 - 13 - 1642=3, 1648/4.5=1...(5) HG2 LYS 20 - H LEU 38 lone 7 100 - 7 - HD2 LYS 82 - H LEU 38 lone 6 100 - 6 - 10940/4.5=1 HD2 LYS 53 - H LEU 38 lone 6 100 - 6 - HG2 LYS 12 - H LEU 38 lone 5 81 - 6 - 425/4.6=2 HG2 LYS 53 - H LEU 38 lone 5 99 - 5 - HB2 LEU 27 - H LEU 38 lone 5 100 - 4 - HG3 LYS 53 - H LEU 38 lone 4 94 - 4 - Peak 6589 from nnoeabs.peaks (0.82, 7.53, 119.20 ppm; 3.32 A): 3 out of 8 assignments used, quality = 0.95: * QD2 LEU 38 + H LEU 38 OK 85 100 - 85 - 4.5=40, 3.1/1634=22...(15) QG2 VAL 32 + H LEU 38 OK 47 94 - 50 - 2.1/8932=27, 10162/2.9=9...(12) QD2 LEU 103 + H LEU 38 OK 32 99 - 33 - 2.1/6590=8, 1620/2.9=4...(10) QD1 LEU 70 - H LEU 38 OK 21 97 - 22 - 1620/2.9=3, 6601/4.6=2...(10) QD2 LEU 70 - H LEU 38 OK 16 77 - 20 - 10822/10547=3...(9) QD1 LEU 57 - H LEU 38 OK 11 99 - 11 - 3.1/8853=2, 10698/2.9=1 QG2 ILE 15 - H LEU 38 poor 9 84 - 11 - 4.0/6591=2, 1620/2.9=1 QD2 LEU 2 - H LEU 38 poor 9 81 - 11 - 12040/3.8=2, ~10124=1 Peak 6590 from nnoeabs.peaks (0.86, 7.53, 119.20 ppm; 3.32 A): 3 out of 3 assignments used, quality = 0.93: * QD1 LEU 38 + H LEU 38 OK 85 100 - 85 - 4.5=40, 3.1/1634=22...(15) QD1 LEU 103 + H LEU 38 OK 34 99 - 35 - 1621/2.9=7, 1632/3.8=6...(10) QD2 LEU 64 + H LEU 38 OK 24 100 - 24 - 1621/2.9=5, 1632/3.8=3...(8) Peak 6591 from nnoeabs.peaks (8.08, 7.53, 119.20 ppm; 3.31 A): 4 out of 5 assignments used, quality = 0.90: * H LYS 39 + H LEU 38 OK 80 100 - 80 - 6596=46, 4.6/1634=14...(13) H GLU 75 + H LEU 38 OK 28 97 - 29 - 4.6/6579=4, 6577/4.6=4...(11) H LYS 13 + H LEU 38 OK 20 96 - 21 - 1633/3.8=3, 1641/3.8=3...(10) H ILE 15 + H LEU 38 OK 16 94 - 17 - 1622/2.9=2, 1633/3.8=2...(7) H GLU 17 - H LEU 38 lone 3 57 - 5 - Peak 6592 from nnoeabs.peaks (7.63, 7.53, 119.20 ppm; 4.05 A): 2 out of 3 assignments used, quality = 0.89: * H LYS 40 + H LEU 38 OK 88 100 - 88 - 6616=50, 4.6/6596=23...(15) HE22 GLN 50 + H LEU 38 OK 12 94 - 13 - 6612/4.6=3, 1584/3.6=3...(4) H GLU 48 - H LEU 38 poor 8 70 - 12 - 1584/3.6=3, 6612/4.6=2...(4) Peak 6593 from nnoeabs.peaks (8.08, 8.08, 116.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + H LYS 39 OK 100 100 - 100 Peak 6594 from nnoeabs.peaks (7.74, 8.08, 116.94 ppm; 4.92 A): 4 out of 5 assignments used, quality = 0.93: * H GLU 37 + H LYS 39 OK 81 100 - 81 - 6576/4.6=35, 3.6/8949=29...(14) H MET 74 + H LYS 39 OK 56 99 - 57 - 7231=9, 6579/4.6=9...(16) H ASN 60 + H LYS 39 OK 11 90 - 12 - 6579/4.6=2, 9416/5.2=1 H VAL 78 + H LYS 39 OK 10 84 - 12 - 6579/4.6=2, 10899/6.0=1 H SER 49 - H LYS 39 lone 7 73 - 9 - 4.6/6612=2, 6579/4.6=1 Peak 6595 from nnoeabs.peaks (3.71, 8.08, 116.94 ppm; 5.35 A): 2 out of 3 assignments used, quality = 0.98: HA LEU 42 + H LYS 39 OK 90 99 - 91 - ~6663=26, ~1909=24...(18) * HA GLU 37 + H LYS 39 OK 81 100 - 81 - 3.6/6596=45, 1584/4.6=29...(18) HA3 GLY 100 - H LYS 39 OK 26 97 - 26 - 6615/4.6=7, 6580/4.6=4...(9) Peak 6596 from nnoeabs.peaks (7.53, 8.08, 116.94 ppm; 3.41 A): 1 out of 1 assignment used, quality = 0.80: * H LEU 38 + H LYS 39 OK 80 100 - 80 - 4.6=40, 1634/4.6=15...(13) Peak 6597 from nnoeabs.peaks (3.87, 8.08, 116.94 ppm; 3.84 A): 2 out of 12 assignments used, quality = 1.00: * HA LEU 38 + H LYS 39 OK 100 100 - 100 - 3.6=100 HA LYS 40 + H LYS 39 OK 59 94 - 63 - 2.9/6612=25, 3.6/6613=11...(19) HA GLU 43 - H LYS 39 OK 41 94 - 43 - ~6681=11, 2.9/10556=10...(11) HA GLU 35 - H LYS 39 OK 36 84 - 43 - 4.9/8949=13, 3.6/10556=8...(11) HA LYS 12 - H LYS 39 OK 24 61 - 38 - 3.0/6605=6, 3.0/6605=6...(13) HA LYS 94 - H LYS 39 OK 14 96 - 15 - 8950/3.0=2, 10561/4.0=2...(5) HA2 GLY 100 - H LYS 39 OK 12 96 - 12 - 1.8/6595=2, 6617/4.6=2 HA ARG 91 - H LYS 39 lone 8 81 - 10 - 12057/4.6=2, 1627/4.6=2 HB3 SER 49 - H LYS 39 lone 6 70 - 9 - 9080/4.6=1 HA2 GLY 101 - H LYS 39 lone 6 96 - 6 - HA3 GLY 101 - H LYS 39 lone 2 61 - 3 - HB2 SER 102 - H LYS 39 lone 1 57 - 1 - Peak 6598 from nnoeabs.peaks (1.46, 8.08, 116.94 ppm; 3.30 A): 3 out of 15 assignments used, quality = 0.94: * HB2 LEU 38 + H LYS 39 OK 71 100 - 71 - 4.6=36, 3.8/6596=19...(11) HG3 LYS 39 + H LYS 39 OK 55 81 - 69 - 5.2=26, 3.0/1680=14...(18) HG LEU 38 + H LYS 39 OK 54 99 - 54 - 2.1/6602=13, 5.3/6596=11...(11) HG2 LYS 12 - H LYS 39 OK 31 92 - 33 - 425=6, 3.0/6605=5...(11) HD2 LYS 40 - H LYS 39 OK 21 94 - 23 - 6.2/6612=6, 3.5/6609=2...(7) HD3 LYS 40 - H LYS 39 OK 20 92 - 22 - 6.2/6612=6, 3.5/6609=2...(7) HG13 ILE 52 - H LYS 39 OK 14 100 - 14 - 2.1/8947=2, 1642/4.6=2...(5) HG13 ILE 76 - H LYS 39 poor 9 61 - 15 - 1671/3.0=2, 1685/4.0=2...(6) HG3 ARG 91 - H LYS 39 lone 8 100 - 8 - 1642/4.6=2, 4054/3.6=1 HD2 LYS 82 - H LYS 39 lone 8 99 - 8 - HB2 LEU 27 - H LYS 39 lone 7 100 - 7 - HG2 LYS 20 - H LYS 39 lone 4 100 - 4 - HD2 LYS 53 - H LYS 39 lone 3 99 - 3 - HG2 LYS 53 - H LYS 39 lone 3 96 - 3 - HG3 LYS 53 - H LYS 39 lone 2 84 - 2 - Peak 6599 from nnoeabs.peaks (2.07, 8.08, 116.94 ppm; 3.51 A): 4 out of 10 assignments used, quality = 0.90: * HB3 LEU 38 + H LYS 39 OK 76 100 - 76 - 4.6=44, 3.8/6596=22...(11) HB3 GLU 35 + H LYS 39 OK 27 96 - 28 - 4.7/10556=5, 2.9/8954=4...(8) HB2 MET 74 + H LYS 39 OK 26 92 - 28 - 4.2/3373=5, 4.0/6594=5...(10) HB3 GLU 43 + H LYS 39 OK 25 96 - 27 - 4.0/10556=6, 1969/3.6=5...(7) HB3 GLU 88 - H LYS 39 lone 8 99 - 8 - 1.8/6604=1, 1618/3.6=1 HB2 GLU 16 - H LYS 39 lone 7 100 - 7 - 1618/3.6=1, 1629/4.6=1 HB2 GLU 23 - H LYS 39 lone 3 81 - 3 - HG3 GLU 28 - H LYS 39 lone 2 94 - 2 - HG2 GLU 28 - H LYS 39 lone 2 94 - 2 - HB3 GLU 62 - H LYS 39 lone 2 73 - 2 - Peak 6600 from nnoeabs.peaks (1.46, 8.08, 116.94 ppm; 3.30 A): 4 out of 14 assignments used, quality = 0.94: HB2 LEU 38 + H LYS 39 OK 70 99 - 71 - 4.6=36, 3.8/6596=19...(11) * HG LEU 38 + H LYS 39 OK 54 100 - 54 - 2.1/6602=13, 5.3/6596=11...(11) HG3 LYS 39 + H LYS 39 OK 44 65 - 67 - 5.2=26, 3.0/1680=14...(18) HG2 LYS 12 + H LYS 39 OK 25 81 - 31 - 3.0/6605=5, 3.0/6605=5...(11) HD2 LYS 40 - H LYS 39 OK 22 99 - 23 - 6.2/6612=6, 3.5/6609=2...(7) HD3 LYS 40 - H LYS 39 OK 22 98 - 23 - 6.2/6612=6, 3.5/6609=2...(7) HG13 ILE 52 - H LYS 39 OK 14 100 - 14 - 2.1/8947=2, 1642/4.6=2...(6) HD2 LYS 82 - H LYS 39 lone 8 100 - 8 - HG3 ARG 91 - H LYS 39 lone 8 97 - 8 - 1642/4.6=2, 1617/3.6=1 HB2 LEU 27 - H LYS 39 lone 6 100 - 6 - HG2 LYS 20 - H LYS 39 lone 4 100 - 4 - HG2 LYS 53 - H LYS 39 lone 3 99 - 3 - HD2 LYS 53 - H LYS 39 lone 3 100 - 3 - HG3 LYS 53 - H LYS 39 lone 2 94 - 3 - Peak 6601 from nnoeabs.peaks (0.82, 8.08, 116.94 ppm; 3.61 A): 7 out of 8 assignments used, quality = 0.93: * QD2 LEU 38 + H LYS 39 OK 64 100 - 65 - 4.5/6596=19, 2.1/6602=16...(10) QD1 LEU 70 + H LYS 39 OK 35 97 - 36 - ~10822=14, 9546/3.0=5...(9) QD2 LEU 70 + H LYS 39 OK 27 77 - 35 - 10822/3.0=15, ~9546=5...(13) QD2 LEU 103 + H LYS 39 OK 27 99 - 27 - 2.1/6602=8, 3.9/8949=4...(7) QG2 VAL 32 + H LYS 39 OK 21 94 - 22 - 10162/3.6=9, 6589/4.6=4...(5) QG2 ILE 15 + H LYS 39 OK 16 84 - 19 - 653=3, 2.1/645=2...(7) QD2 LEU 2 + H LYS 39 OK 10 81 - 13 - 12040/4.6=2, 8952/3.0=1 QD1 LEU 57 - H LYS 39 lone 6 99 - 6 - 10698/3.6=1 Peak 6602 from nnoeabs.peaks (0.86, 8.08, 116.94 ppm; 3.92 A): 3 out of 3 assignments used, quality = 0.85: * QD1 LEU 38 + H LYS 39 OK 69 100 - 69 - 4.5/6596=22, 1621/3.6=19...(10) QD1 LEU 103 + H LYS 39 OK 35 99 - 35 - 1621/3.6=8, 1640/4.6=6...(7) QD2 LEU 64 + H LYS 39 OK 27 100 - 27 - 1621/3.6=6, 1632/4.6=4...(8) Peak 6603 from nnoeabs.peaks (3.61, 8.08, 116.94 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + H LYS 39 OK 100 100 - 100 - 3.0=100 Peak 6604 from nnoeabs.peaks (1.80, 8.08, 116.94 ppm; 3.24 A): 5 out of 8 assignments used, quality = 0.93: * HB2 LYS 39 + H LYS 39 OK 78 100 - 78 - 4.0=51, 1.8/6605=12...(16) HB2 LEU 42 + H LYS 39 OK 56 94 - 60 - 1909/3.0=14, ~1918=10...(17) HG3 ARG 46 + H LYS 39 OK 12 90 - 14 - 10173/3.6=2, 10545/4.6=2...(6) HB2 GLU 104 + H LYS 39 OK 10 90 - 11 - 1678/3.0=2, 1.8/6605=2...(4) HB ILE 93 + H LYS 39 OK 10 99 - 10 - 1668/3.0=2, 1715/5.2=1 HB2 GLU 88 - H LYS 39 lone 6 90 - 7 - 1.8/6599=1 HB2 LYS 90 - H LYS 39 lone 6 81 - 7 - 1678/3.0=1 HB VAL 78 - H LYS 39 lone 3 65 - 5 - Peak 6605 from nnoeabs.peaks (1.86, 8.08, 116.94 ppm; 3.31 A): 4 out of 7 assignments used, quality = 0.95: * HB3 LYS 39 + H LYS 39 OK 79 100 - 79 - 4.0=55, 1.8/1680=19...(11) HB2 LYS 12 + H LYS 39 OK 39 100 - 39 - 1692/3.0=5, 3.0/425=5...(16) HB3 LYS 12 + H LYS 39 OK 39 99 - 39 - 1692/3.0=5, 3.0/425=5...(16) HB3 LYS 68 + H LYS 39 OK 36 94 - 39 - 1669/3.0=5, 1683/4.0=4...(17) HB3 GLU 104 - H LYS 39 OK 11 96 - 11 - 1.8/6604=2, 4530/4.0=2...(5) HB VAL 5 - H LYS 39 lone 6 100 - 6 - 10193/5.2=1 HB3 LYS 66 - H LYS 39 lone 4 100 - 4 - Peak 6606 from nnoeabs.peaks (1.34, 8.08, 116.94 ppm; 4.20 A): 2 out of 12 assignments used, quality = 0.96: * HG2 LYS 39 + H LYS 39 OK 91 100 - 91 - 5.2=54, 3.0/1680=20...(17) HG3 LYS 68 + H LYS 39 OK 61 99 - 62 - 1703/3.0=10, 2.9/6605=7...(21) HG3 LYS 40 - H LYS 39 OK 37 81 - 46 - 4.9/6612=18, 3.8/6597=5...(15) HG LEU 14 - H LYS 39 OK 31 99 - 32 - 2.1/8947=5, 617=4...(12) QB ALA 67 - H LYS 39 OK 21 96 - 22 - 3.6/10556=5, 10784/4.0=3...(6) HB2 LYS 82 - H LYS 39 OK 19 100 - 19 - 3657/7.2=3, 9756/6602=2...(9) HG2 LYS 94 - H LYS 39 OK 15 98 - 15 - 1684/4.0=2, 1670/3.0=2...(7) HB3 LEU 27 - H LYS 39 OK 12 100 - 12 - 1670/3.0=2, 1684/4.0=1...(5) HB3 LEU 2 - H LYS 39 poor 10 87 - 11 - 3.1/6601=2, 1670/3.0=1 QB ALA 25 - H LYS 39 lone 9 98 - 9 - 3.6/6613=2, 10334/3.6=1 HG12 ILE 8 - H LYS 39 lone 7 65 - 10 - 2.1/8947=3, ~8953=1 QB ALA 89 - H LYS 39 lone 6 98 - 6 - Peak 6607 from nnoeabs.peaks (1.44, 8.08, 116.94 ppm; 3.34 A): 4 out of 15 assignments used, quality = 0.95: * HG3 LYS 39 + H LYS 39 OK 72 100 - 72 - 5.2=27, 3.0/1680=14...(16) HB2 LEU 38 + H LYS 39 OK 58 81 - 72 - 4.6=38, 3.8/6596=20...(11) HG2 LYS 12 + H LYS 39 OK 36 99 - 37 - 425=7, 3.0/6605=5...(13) HG LEU 38 + H LYS 39 OK 35 65 - 53 - 2.1/6602=13, 5.3/6596=12...(11) HG13 ILE 76 - H LYS 39 OK 19 99 - 19 - 1671/3.0=3, 1685/4.0=2...(8) HG2 LYS 13 - H LYS 39 lone 9 90 - 10 - 517=2 HG13 ILE 52 - H LYS 39 poor 8 73 - 11 - 2.1/8947=2, ~8953=2, 1617/3.6=1 HG LEU 29 - H LYS 39 lone 8 98 - 8 - 1685/4.0=1, 1671/3.0=1 QB ALA 22 - H LYS 39 lone 6 98 - 6 - HG3 ARG 91 - H LYS 39 lone 6 90 - 6 - 4054/3.6=1 HB2 LEU 27 - H LYS 39 lone 4 73 - 6 - HG12 ILE 7 - H LYS 39 lone 4 70 - 6 - 2.1/10379=1 HD2 LYS 82 - H LYS 39 lone 4 65 - 6 - 3.5/6606=1 HG2 LYS 20 - H LYS 39 lone 2 73 - 3 - HD2 LYS 53 - H LYS 39 lone 1 65 - 2 - Peak 6608 from nnoeabs.peaks (1.65, 8.08, 116.94 ppm; 3.93 A): 6 out of 12 assignments used, quality = 1.00: * HD2 LYS 39 + H LYS 39 OK 80 100 - 80 - 6.0=28, 3.6/1680=16...(16) HD3 LYS 39 + H LYS 39 OK 66 84 - 79 - 6.0=28, 3.6/1680=16...(16) HD2 LYS 68 + H LYS 39 OK 53 100 - 53 - 1724=7, 1725/3.0=7...(19) HD3 LYS 68 + H LYS 39 OK 53 100 - 53 - 1724=7, 1725/3.0=7...(19) HB2 LYS 40 + H LYS 39 OK 50 96 - 52 - 4.1/6612=20, 4.3/6613=10...(15) HG2 LYS 68 + H LYS 39 OK 46 87 - 54 - 1.8/6606=6, 2.9/6605=6...(18) HB ILE 76 - H LYS 39 OK 17 92 - 18 - 3.0/6607=2, 3422/5.2=2...(7) HB3 LEU 6 - H LYS 39 OK 11 98 - 11 - 3.1/8947=2, 10231/6602=1...(4) HB ILE 52 - H LYS 39 poor 10 73 - 13 - 3.2/8947=3, 3.0/1649=2...(4) HD3 LYS 73 - H LYS 39 lone 6 90 - 6 - 6.4/6613=1 HD2 LYS 73 - H LYS 39 lone 5 84 - 6 - 6.4/6613=1 HB3 ARG 79 - H LYS 39 lone 2 100 - 2 - Peak 6609 from nnoeabs.peaks (1.64, 8.08, 116.94 ppm; 3.93 A): 5 out of 11 assignments used, quality = 0.99: * HD3 LYS 39 + H LYS 39 OK 82 100 - 82 - 6.0=28, 1736/3.0=21...(17) HD2 LYS 39 + H LYS 39 OK 66 84 - 79 - 6.0=28, 3.6/1680=16...(16) HG2 LYS 68 + H LYS 39 OK 56 100 - 56 - 1.8/6606=6, 3024/4.0=6...(19) HB2 LYS 40 + H LYS 39 OK 52 99 - 53 - 4.1/6612=20, 4.3/6613=10...(16) HD3 LYS 68 + H LYS 39 OK 46 92 - 50 - 1.8/1724=6, 3.0/6606=5...(19) HD2 LYS 68 - H LYS 39 OK 44 90 - 50 - 1.8/1724=6, 3.0/6606=5...(19) HB ILE 76 - H LYS 39 OK 19 100 - 20 - 3422/5.2=2, 3.0/6607=2...(8) HB3 LEU 6 - H LYS 39 OK 10 97 - 11 - 3.1/8947=2, 10231/6602=1...(4) HD2 LYS 94 - H LYS 39 lone 6 70 - 9 - 3.0/6606=1 HB3 ARG 79 - H LYS 39 lone 2 84 - 2 - HG3 LYS 47 - H LYS 39 lone 1 61 - 2 - Peak 6612 from nnoeabs.peaks (7.63, 8.08, 116.94 ppm; 3.47 A): 2 out of 3 assignments used, quality = 0.81: * H LYS 40 + H LYS 39 OK 78 100 - 78 - 4.6=43, 6616/4.6=15...(18) HE22 GLN 50 + H LYS 39 OK 15 94 - 15 - 1676/3.0=4, 1690/4.0=3...(6) H GLU 48 - H LYS 39 lone 7 70 - 10 - 1676/3.0=2, 1690/4.0=1...(4) Peak 6613 from nnoeabs.peaks (7.82, 8.08, 116.94 ppm; 5.34 A): 4 out of 4 assignments used, quality = 0.95: * H TYR 41 + H LYS 39 OK 92 100 - 92 - 6643/3.0=36, 4.6/6612=29...(19) H LYS 73 + H LYS 39 OK 18 65 - 28 - 4.7/6594=10, 10559/3.0=4...(5) H SER 9 + H LYS 39 OK 13 87 - 15 - 6637/4.6=6, 1623/3.6=3 H ASN 26 + H LYS 39 OK 11 70 - 16 - 1623/3.6=3, 6637/4.6=3...(4) Peak 6614 from nnoeabs.peaks (7.63, 7.63, 118.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 40 + H LYS 40 OK 100 100 - 100 Peak 6615 from nnoeabs.peaks (3.71, 7.63, 118.27 ppm; 3.59 A): 3 out of 3 assignments used, quality = 0.92: * HA GLU 37 + H LYS 40 OK 75 100 - 75 - 1584=35, 3.6/6616=21...(14) HA LEU 42 + H LYS 40 OK 55 99 - 56 - 3.0/6664=15, 3.0/6620=8...(17) HA3 GLY 100 + H LYS 40 OK 32 97 - 33 - 10552/2.9=7, 1794/4.1=5...(12) Peak 6616 from nnoeabs.peaks (7.53, 7.63, 118.27 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.84: * H LEU 38 + H LYS 40 OK 84 100 - 84 - 6592=37, 3.6/1584=22...(15) Peak 6617 from nnoeabs.peaks (3.87, 7.63, 118.27 ppm; 3.12 A): 2 out of 12 assignments used, quality = 0.97: HA LYS 40 + H LYS 40 OK 94 94 - 100 - 2.9=100 * HA LEU 38 + H LYS 40 OK 57 100 - 57 - 2.9/6616=18, 3.6/6612=14...(21) HA GLU 43 - H LYS 40 OK 23 94 - 24 - ~1779=4, ~1781=3...(12) HA2 GLY 100 - H LYS 40 OK 21 96 - 22 - 1.8/6615=6, ~10552=3...(7) HA LYS 12 - H LYS 40 OK 14 61 - 22 - 3.0/6621=4, 3.0/6621=4...(6) HA GLU 35 - H LYS 40 OK 13 84 - 15 - 4.9/8863=8, 12057/6616=2...(4) HA LYS 94 - H LYS 40 OK 12 96 - 12 - HB3 SER 49 - H LYS 40 lone 7 70 - 10 - HA2 GLY 101 - H LYS 40 lone 5 96 - 5 - HA ARG 91 - H LYS 40 lone 4 81 - 5 - HA3 GLY 101 - H LYS 40 lone 1 61 - 2 - HB2 SER 102 - H LYS 40 lone 0 57 - 0 - Peak 6618 from nnoeabs.peaks (8.08, 7.63, 118.27 ppm; 3.32 A): 3 out of 5 assignments used, quality = 0.83: * H LYS 39 + H LYS 40 OK 73 100 - 73 - 4.6=37, 4.6/6616=13...(18) H LYS 13 + H LYS 40 OK 24 96 - 25 - 1666/3.6=4, 4.2/6621=3...(9) H ILE 15 + H LYS 40 OK 15 94 - 16 - 1666/3.6=3, 1680/4.6=2...(5) H GLU 75 - H LYS 40 lone 10 97 - 10 - 1666/3.6=2, 6591/6616=2...(4) H GLU 17 - H LYS 40 lone 1 57 - 2 - Peak 6619 from nnoeabs.peaks (3.61, 7.63, 118.27 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + H LYS 40 OK 100 100 - 100 - 3.6=100 Peak 6620 from nnoeabs.peaks (1.80, 7.63, 118.27 ppm; 3.48 A): 3 out of 8 assignments used, quality = 0.89: * HB2 LYS 39 + H LYS 40 OK 77 100 - 77 - 4.6=43, 4.0/6612=16...(17) HB2 LEU 42 + H LYS 40 OK 47 94 - 50 - 1909/3.6=15, 4.0/6664=11...(15) HG3 ARG 46 + H LYS 40 OK 13 90 - 14 - ~12084=3, 10173/2.9=2...(4) HB ILE 93 - H LYS 40 lone 9 99 - 9 - 1668/3.6=2, 10029/2.9=1 HB2 GLU 104 - H LYS 40 lone 7 90 - 8 - 1678/3.6=2, 4524/4.6=1 HB2 LYS 90 - H LYS 40 lone 4 81 - 5 - 1678/3.6=1 HB2 GLU 88 - H LYS 40 lone 3 90 - 4 - HB VAL 78 - H LYS 40 lone 2 65 - 2 - Peak 6621 from nnoeabs.peaks (1.86, 7.63, 118.27 ppm; 3.32 A): 4 out of 7 assignments used, quality = 0.89: * HB3 LYS 39 + H LYS 40 OK 70 100 - 70 - 4.6=37, 1.8/1690=20...(11) HB2 LYS 12 + H LYS 40 OK 32 100 - 32 - 1701=6, 1.8/1701=5...(11) HB3 LYS 12 + H LYS 40 OK 31 99 - 32 - 1701=5, 1.8/1701=5...(11) HB3 LYS 68 + H LYS 40 OK 26 94 - 28 - 1669/3.6=4, 2.9/6622=4...(10) HB3 GLU 104 - H LYS 40 lone 6 96 - 6 - 1.8/6620=1, 4530/4.6=1 HB VAL 5 - H LYS 40 lone 5 100 - 5 - HB3 LYS 66 - H LYS 40 lone 3 100 - 3 - Peak 6622 from nnoeabs.peaks (1.34, 7.63, 118.27 ppm; 3.61 A): 3 out of 12 assignments used, quality = 0.93: HG3 LYS 40 + H LYS 40 OK 66 81 - 83 - 4.9=40, 2.9/1783=23...(19) * HG2 LYS 39 + H LYS 40 OK 66 100 - 66 - 3.0/1690=19, 3.0/6621=12...(16) HG3 LYS 68 + H LYS 40 OK 41 99 - 42 - 1703/3.6=6, 1.8/6625=5...(15) HG2 LYS 94 - H LYS 40 OK 15 98 - 15 - 4209/2.9=2, ~4220=1...(7) HB3 LEU 27 - H LYS 40 OK 14 100 - 14 - 1788/4.1=1, 1800/4.1=1...(5) HG LEU 14 - H LYS 40 OK 12 99 - 12 - 1670/3.6=2, 617/4.6=2...(4) HB2 LYS 82 - H LYS 40 OK 12 100 - 12 - 3654/6.2=1, 3654/6.2=1...(6) QB ALA 67 - H LYS 40 OK 11 96 - 12 - 10784/4.6=2, 2983/2.9=2...(4) QB ALA 25 - H LYS 40 lone 8 98 - 8 - 10334/2.9=2, 3.6/6637=2 HG12 ILE 8 - H LYS 40 poor 7 65 - 11 - 1773/2.9=2, ~8306=1...(6) HB3 LEU 2 - H LYS 40 lone 6 87 - 6 - QB ALA 89 - H LYS 40 lone 2 98 - 2 - Peak 6623 from nnoeabs.peaks (1.44, 7.63, 118.27 ppm; 4.01 A): 4 out of 15 assignments used, quality = 0.95: * HG3 LYS 39 + H LYS 40 OK 74 100 - 74 - 3.0/1690=23, 5.2/6612=15...(15) HB2 LEU 38 + H LYS 40 OK 54 81 - 67 - 3.8/6616=25, 4.6/6612=17...(19) HG2 LYS 12 + H LYS 40 OK 38 99 - 38 - 3.0/6621=7, 3.0/6621=7...(12) HG LEU 38 + H LYS 40 OK 35 65 - 53 - 5.3/6616=17, 2.1/8862=9...(17) HG13 ILE 76 - H LYS 40 OK 22 99 - 22 - 1671/3.6=3, 1685/4.6=3...(8) HG LEU 29 - H LYS 40 OK 19 98 - 19 - 3.0/6631=5, 1289/4.9=2...(8) HG2 LYS 13 - H LYS 40 OK 10 90 - 12 - 4.8/6618=4, 517/4.6=1 QB ALA 22 - H LYS 40 lone 10 98 - 10 - 8587/4.6=3, 8582/4.6=1 HB2 LEU 27 - H LYS 40 poor 9 73 - 12 - 1.8/6622=2, 10482/4.9=2, ~1773=1 HG2 LYS 20 - H LYS 40 poor 9 73 - 12 - 1.8/6630=2, 2.8/6630=1...(5) HG13 ILE 52 - H LYS 40 poor 8 73 - 11 - ~9165=1, 3.0/6630=1 HG3 ARG 91 - H LYS 40 lone 7 90 - 8 - 2.8/6630=1 HD2 LYS 82 - H LYS 40 lone 5 65 - 8 - 3.5/6622=1 HD2 LYS 53 - H LYS 40 lone 5 65 - 8 - 3.6/6630=2 HG12 ILE 7 - H LYS 40 lone 4 70 - 6 - 8248/4.6=2 Peak 6624 from nnoeabs.peaks (1.65, 7.63, 118.27 ppm; 2.78 A): 6 out of 12 assignments used, quality = 0.92: HB2 LYS 40 + H LYS 40 OK 65 96 - 68 - 4.1=32, 1.8/1795=19...(13) * HD2 LYS 39 + H LYS 40 OK 36 100 - 36 - 3.6/1690=9, 3.6/6621=6...(11) HD3 LYS 39 + H LYS 40 OK 32 84 - 38 - 3.6/1690=9, 1736/3.6=6...(11) HD2 LYS 68 + H LYS 40 OK 20 100 - 20 - 1725/3.6=3, 3.0/6622=3...(8) HD3 LYS 68 + H LYS 40 OK 20 100 - 20 - 1725/3.6=3, 3.0/6622=3...(8) HG2 LYS 68 + H LYS 40 OK 17 87 - 20 - 1.8/6622=3, 2.9/6621=3...(9) HB ILE 76 - H LYS 40 lone 8 92 - 8 - HB3 LEU 6 - H LYS 40 lone 4 98 - 4 - HB ILE 52 - H LYS 40 lone 3 73 - 4 - HD3 LYS 73 - H LYS 40 lone 2 90 - 2 - HD2 LYS 73 - H LYS 40 lone 1 84 - 2 - HB3 ARG 79 - H LYS 40 lone 1 100 - 1 - Peak 6625 from nnoeabs.peaks (1.64, 7.63, 118.27 ppm; 2.78 A): 6 out of 11 assignments used, quality = 0.92: HB2 LYS 40 + H LYS 40 OK 67 99 - 68 - 4.1=32, 1.8/1795=19...(13) * HD3 LYS 39 + H LYS 40 OK 41 100 - 41 - 3.6/1690=9, 1736/3.6=8...(11) HD2 LYS 39 + H LYS 40 OK 29 84 - 35 - 3.6/1690=9, 3.6/6621=6...(11) HG2 LYS 68 + H LYS 40 OK 21 100 - 21 - 1.8/6622=3, 2.9/6621=3...(10) HD3 LYS 68 + H LYS 40 OK 17 92 - 19 - 3.0/6622=3, 3.5/6621=2...(7) HD2 LYS 68 + H LYS 40 OK 17 90 - 19 - 3.0/6622=3, 3.5/6621=2...(7) HB ILE 76 - H LYS 40 lone 9 100 - 9 - HD2 LYS 94 - H LYS 40 lone 5 70 - 7 - HB3 LEU 6 - H LYS 40 lone 4 97 - 4 - HG3 LYS 47 - H LYS 40 lone 2 61 - 4 - HB3 ARG 79 - H LYS 40 lone 1 84 - 1 - Peak 6628 from nnoeabs.peaks (3.86, 7.63, 118.27 ppm; 3.12 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 40 + H LYS 40 OK 100 100 - 100 - 2.9=100 HA LEU 38 + H LYS 40 OK 53 94 - 56 - 2.9/6616=18, 3.6/6612=14...(19) HA2 GLY 100 - H LYS 40 OK 23 100 - 23 - 1.8/6615=6, ~10552=3...(7) HA LYS 12 - H LYS 40 OK 22 92 - 24 - 3.0/6621=4, 3.0/6621=4...(7) HA GLU 43 - H LYS 40 OK 15 65 - 23 - ~1779=4, ~1781=3...(11) HA LYS 94 - H LYS 40 OK 13 100 - 13 - 8950/3.6=1 HB3 SER 49 - H LYS 40 OK 10 96 - 11 - HA ALA 67 - H LYS 40 lone 9 90 - 10 - 2.1/6622=1, 8950/3.6=1 HA2 GLY 101 - H LYS 40 lone 6 100 - 6 - HA ALA 71 - H LYS 40 lone 3 61 - 5 - Peak 6629 from nnoeabs.peaks (1.65, 7.63, 118.27 ppm; 2.78 A): 6 out of 10 assignments used, quality = 0.93: * HB2 LYS 40 + H LYS 40 OK 68 100 - 68 - 4.1=32, 1.8/1795=19...(13) HD3 LYS 39 + H LYS 40 OK 40 99 - 41 - 3.6/1690=9, 1736/3.6=8...(11) HD2 LYS 39 + H LYS 40 OK 34 96 - 36 - 3.6/1690=9, 3.6/6621=6...(11) HG2 LYS 68 + H LYS 40 OK 21 99 - 22 - 1.8/6622=3, 2.9/6621=3...(10) HD3 LYS 68 + H LYS 40 OK 19 99 - 20 - 3.0/6622=3, 1725/3.6=2...(8) HD2 LYS 68 + H LYS 40 OK 19 98 - 20 - 3.0/6622=3, 1725/3.6=2...(8) HB ILE 76 - H LYS 40 lone 9 100 - 9 - HB3 LEU 6 - H LYS 40 lone 4 100 - 4 - HD3 LYS 73 - H LYS 40 lone 1 61 - 2 - HB3 ARG 79 - H LYS 40 lone 1 96 - 1 - Peak 6630 from nnoeabs.peaks (1.68, 7.63, 118.27 ppm; 2.75 A): 2 out of 23 assignments used, quality = 0.71: * HB3 LYS 40 + H LYS 40 OK 67 100 - 67 - 4.1=31, 1.8/1783=19...(11) HG LEU 70 + H LYS 40 OK 13 77 - 16 - 4.9/6638=2, 2.1/8862=2...(6) HD3 LYS 12 - H LYS 40 poor 8 70 - 12 - 3.6/6621=3, 3.6/6621=3 HD2 LYS 12 - H LYS 40 poor 8 70 - 12 - 3.6/6621=3, 3.6/6621=3 HB3 LYS 53 - H LYS 40 lone 7 100 - 7 - 1771/2.9=1 HG12 ILE 15 - H LYS 40 lone 7 92 - 7 - 4.6/6618=1 HG3 LYS 20 - H LYS 40 lone 7 94 - 7 - 1771/2.9=1 HD2 LYS 20 - H LYS 40 lone 6 98 - 6 - HD3 LYS 20 - H LYS 40 lone 5 94 - 6 - HB ILE 52 - H LYS 40 lone 5 84 - 6 - HB3 ARG 91 - H LYS 40 lone 5 100 - 5 - HD3 LYS 47 - H LYS 40 lone 4 100 - 4 - HD2 LYS 47 - H LYS 40 lone 4 100 - 4 - HD2 LYS 13 - H LYS 40 lone 2 70 - 3 - HG2 PRO 86 - H LYS 40 lone 2 94 - 2 - HD3 LYS 13 - H LYS 40 lone 2 61 - 3 - HD3 LYS 90 - H LYS 40 lone 2 84 - 2 - HD2 LYS 73 - H LYS 40 lone 2 73 - 2 - HB2 LEU 2 - H LYS 40 lone 2 65 - 3 - HD3 LYS 73 - H LYS 40 lone 1 65 - 2 - HD3 LYS 66 - H LYS 40 lone 1 65 - 2 - HD2 LYS 24 - H LYS 40 lone 1 87 - 1 - HD3 LYS 24 - H LYS 40 lone 1 84 - 1 - Peak 6631 from nnoeabs.peaks (1.16, 7.63, 118.27 ppm; 4.20 A): 2 out of 5 assignments used, quality = 0.96: * HG2 LYS 40 + H LYS 40 OK 94 100 - 94 - 4.9=62, 2.9/1783=29...(20) HB3 LEU 3 + H LYS 40 OK 31 96 - 33 - 1772/2.9=7, 1799/4.1=7...(9) HB2 LEU 29 - H LYS 40 OK 29 100 - 29 - 1772/2.9=5, 1787/4.1=5...(8) QG2 THR 34 - H LYS 40 lone 6 70 - 9 - 8835/1584=3, 1772/2.9=1 QG2 THR 31 - H LYS 40 lone 4 70 - 6 - 6648/4.6=1, 1772/2.9=1 Peak 6632 from nnoeabs.peaks (1.36, 7.63, 118.27 ppm; 3.61 A): 3 out of 9 assignments used, quality = 0.95: * HG3 LYS 40 + H LYS 40 OK 84 100 - 84 - 4.9=40, 2.9/1783=23...(19) HG2 LYS 39 + H LYS 40 OK 52 81 - 65 - 3.0/1690=19, 3.0/6621=12...(16) HG3 LYS 68 + H LYS 40 OK 36 92 - 40 - 1.8/6625=5, 2.9/6621=5...(15) HB2 LEU 70 - H LYS 40 OK 30 92 - 33 - 3.9/6638=6, 3.1/8862=4...(15) HG12 ILE 8 - H LYS 40 OK 13 99 - 13 - 312/4.6=2, 1773/2.9=2...(6) HG LEU 14 - H LYS 40 OK 12 94 - 12 - 1670/3.6=2, 617/4.6=2...(5) HB3 LEU 27 - H LYS 40 OK 11 77 - 14 - 1788/4.1=2, 1800/4.1=2...(5) HB2 LYS 82 - H LYS 40 poor 8 73 - 11 - 1788/4.1=1, 1800/4.1=1 HB3 ARG 30 - H LYS 40 lone 5 87 - 6 - 6649/4.6=1 Peak 6633 from nnoeabs.peaks (1.46, 7.63, 118.27 ppm; 3.83 A): 4 out of 14 assignments used, quality = 0.99: * HD2 LYS 40 + H LYS 40 OK 81 100 - 81 - 6.2=24, 3.5/1783=22...(18) HD3 LYS 40 + H LYS 40 OK 81 100 - 81 - 6.2=24, 3.5/1783=22...(18) HB2 LEU 38 + H LYS 40 OK 61 94 - 66 - 3.8/6616=23, 4.6/6612=16...(20) HG LEU 38 + H LYS 40 OK 53 99 - 53 - 5.3/6616=15, 2.1/8862=8...(20) HG2 LYS 12 - H LYS 40 OK 17 61 - 29 - 3.0/6621=6, 3.0/6621=6...(11) HB2 LEU 27 - H LYS 40 OK 14 97 - 15 - 10482/4.9=3, 1.8/6622=2...(6) HG13 ILE 52 - H LYS 40 OK 14 97 - 14 - 1642/6616=2, 1775/2.9=1...(6) HG2 LYS 20 - H LYS 40 OK 14 97 - 14 - 1.8/6630=2, 1775/2.9=2...(5) HG2 LYS 53 - H LYS 40 OK 13 100 - 13 - 3.0/6630=2, 1775/2.9=2...(7) HG3 LYS 53 - H LYS 40 OK 13 99 - 13 - 1775/2.9=2, 3.0/6630=2...(7) HD2 LYS 82 - H LYS 40 OK 12 99 - 12 - 1790/4.1=1, 1802/4.1=1...(6) HD2 LYS 53 - H LYS 40 OK 11 99 - 11 - 2440/4.1=2, 3.6/6630=1...(4) HG3 ARG 91 - H LYS 40 lone 8 87 - 9 - 1642/6616=2, 2.8/6630=1 HG LEU 64 - H LYS 40 lone 2 73 - 2 - Peak 6634 from nnoeabs.peaks (1.47, 7.63, 118.27 ppm; 3.83 A): 4 out of 13 assignments used, quality = 0.99: HD2 LYS 40 + H LYS 40 OK 81 100 - 81 - 6.2=24, 3.5/1783=22...(18) * HD3 LYS 40 + H LYS 40 OK 81 100 - 81 - 6.2=24, 3.5/1783=22...(18) HB2 LEU 38 + H LYS 40 OK 60 92 - 65 - 3.8/6616=23, 4.6/6612=16...(20) HG LEU 38 + H LYS 40 OK 52 98 - 53 - 5.3/6616=15, 2.1/8862=8...(20) HB2 LEU 27 - H LYS 40 OK 14 96 - 15 - 10482/4.9=2, 1.8/6622=2...(6) HG13 ILE 52 - H LYS 40 OK 13 96 - 14 - 1642/6616=1, 1775/2.9=1...(6) HG2 LYS 20 - H LYS 40 OK 13 96 - 14 - 1.8/6630=2, 1775/2.9=2...(5) HG2 LYS 53 - H LYS 40 OK 13 100 - 13 - 3.0/6630=2, 1775/2.9=2...(7) HG3 LYS 53 - H LYS 40 OK 13 100 - 13 - 1775/2.9=2, 3.0/6630=2...(7) HD2 LYS 82 - H LYS 40 OK 12 98 - 12 - 1790/4.1=1, 1802/4.1=1...(6) HD2 LYS 53 - H LYS 40 OK 11 98 - 11 - 2440/4.1=2, 3.6/6630=1...(4) HG3 ARG 91 - H LYS 40 lone 8 84 - 9 - 1642/6616=2, 2.8/6630=1 HG LEU 64 - H LYS 40 lone 2 77 - 2 - Peak 6637 from nnoeabs.peaks (7.82, 7.63, 118.27 ppm; 3.30 A): 2 out of 4 assignments used, quality = 0.84: * H TYR 41 + H LYS 40 OK 81 100 - 81 - 6644=37, 4.3/1783=12...(24) H SER 9 + H LYS 40 OK 16 87 - 19 - 1778/2.9=4, 1805/4.1=3...(6) H ASN 26 - H LYS 40 poor 8 70 - 11 - 1778/2.9=2, 1805/4.1=1...(5) H LYS 73 - H LYS 40 poor 7 65 - 10 - 1778/2.9=2, 10559/3.6=1...(5) Peak 6638 from nnoeabs.peaks (7.96, 7.63, 118.27 ppm; 4.46 A): 2 out of 2 assignments used, quality = 0.92: * H LEU 42 + H LYS 40 OK 86 100 - 86 - 6664=36, 6663/3.6=32...(14) H LEU 70 + H LYS 40 OK 44 100 - 44 - 1677/3.6=10, 6659/4.6=8...(15) Peak 6639 from nnoeabs.peaks (7.82, 7.82, 117.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 41 + H TYR 41 OK 100 100 - 100 Peak 6640 from nnoeabs.peaks (3.71, 7.82, 117.81 ppm; 4.25 A): 3 out of 3 assignments used, quality = 0.96: * HA GLU 37 + H TYR 41 OK 77 100 - 77 - 3.6/8884=22, 1584/4.6=19...(15) HA LEU 42 + H TYR 41 OK 73 99 - 73 - 3.0/6666=29, 3.6/6683=19...(15) HA3 GLY 100 + H TYR 41 OK 35 97 - 36 - 10552/3.6=8, 1794/4.3=7...(10) Peak 6641 from nnoeabs.peaks (3.87, 7.82, 117.81 ppm; 3.49 A): 2 out of 12 assignments used, quality = 0.97: HA LYS 40 + H TYR 41 OK 92 94 - 98 - 3.6=93, 2.9/6644=22...(20) * HA LEU 38 + H TYR 41 OK 63 100 - 64 - 1623=16, 2.9/8884=15...(14) HA GLU 43 - H TYR 41 OK 38 94 - 41 - 2.9/6683=14, ~6684=5...(12) HA2 GLY 100 - H TYR 41 OK 17 96 - 17 - 1.8/6640=5, 1796/4.3=3...(5) HA LYS 94 - H TYR 41 OK 12 96 - 12 - 6662/4.6=1, ~10584=1 HA GLU 35 - H TYR 41 OK 11 84 - 14 - 3.6/6660=4, 12057/8884=2...(4) HA LYS 12 - H TYR 41 lone 6 61 - 10 - 3.6/6642=2, 6628/4.6=1 HB3 SER 49 - H TYR 41 lone 6 70 - 8 - HA2 GLY 101 - H TYR 41 lone 5 96 - 5 - HA ARG 91 - H TYR 41 lone 5 81 - 6 - HA3 GLY 101 - H TYR 41 lone 1 61 - 2 - HB2 SER 102 - H TYR 41 lone 0 57 - 1 - Peak 6642 from nnoeabs.peaks (8.08, 7.82, 117.81 ppm; 4.78 A): 4 out of 5 assignments used, quality = 0.94: * H LYS 39 + H TYR 41 OK 86 100 - 86 - 3.0/6643=29, 6612/4.6=25...(19) H ILE 15 + H TYR 41 OK 24 94 - 25 - 6618/4.6=4, 6206/3.6=4...(8) H LYS 13 + H TYR 41 OK 23 96 - 24 - 6618/4.6=6, 6164/3.6=3...(8) H GLU 75 + H TYR 41 OK 19 97 - 20 - 4.8/6656=4, 6591/8884=3...(7) H GLU 17 - H TYR 41 lone 3 57 - 5 - Peak 6643 from nnoeabs.peaks (3.61, 7.82, 117.81 ppm; 5.19 A): 1 out of 1 assignment used, quality = 0.88: * HA LYS 39 + H TYR 41 OK 88 100 - 88 - 3.6/6644=33, 6663/4.6=33...(18) Peak 6644 from nnoeabs.peaks (7.63, 7.82, 117.81 ppm; 3.23 A): 3 out of 3 assignments used, quality = 0.84: * H LYS 40 + H TYR 41 OK 79 100 - 79 - 4.6=35, 1783/4.3=12...(24) HE22 GLN 50 + H TYR 41 OK 17 94 - 17 - 1768/3.6=3, 1783/4.3=3...(6) H GLU 48 + H TYR 41 OK 10 70 - 15 - 1768/3.6=2, 1795/4.3=1...(7) Peak 6645 from nnoeabs.peaks (3.86, 7.82, 117.81 ppm; 3.49 A): 2 out of 10 assignments used, quality = 0.99: * HA LYS 40 + H TYR 41 OK 98 100 - 98 - 3.6=93, 2.9/6644=22...(21) HA LEU 38 + H TYR 41 OK 58 94 - 61 - 2.9/8884=15, 1623=14...(15) HA GLU 43 - H TYR 41 OK 26 65 - 40 - 2.9/6683=14, ~6684=5...(11) HA2 GLY 100 - H TYR 41 OK 18 100 - 18 - 1.8/6640=5, 1796/4.3=3...(5) HA LYS 94 - H TYR 41 OK 13 100 - 13 - 6665/4.6=1, ~10584=1 HA ALA 67 - H TYR 41 OK 13 90 - 14 - 3.6/6660=4, 2978/4.6=2, ~7080=1 HA LYS 12 - H TYR 41 OK 11 92 - 11 - 3.6/6642=2, 6628/4.6=2 HB3 SER 49 - H TYR 41 OK 10 96 - 11 - 9080/4.6=1 HA ALA 71 - H TYR 41 poor 7 61 - 11 - ~10584=2, 2978/4.6=2 HA2 GLY 101 - H TYR 41 lone 6 100 - 6 - Peak 6646 from nnoeabs.peaks (1.65, 7.82, 117.81 ppm; 3.21 A): 8 out of 10 assignments used, quality = 0.93: * HB2 LYS 40 + H TYR 41 OK 74 100 - 74 - 4.3=40, 1.8/1805=18...(14) HD3 LYS 39 + H TYR 41 OK 27 99 - 28 - 4.9/6643=8, 3.6/8883=5...(7) HD2 LYS 39 + H TYR 41 OK 26 96 - 27 - 4.9/6643=8, 3.6/8883=5...(7) HG2 LYS 68 + H TYR 41 OK 16 99 - 16 - 4.6/6660=3, 1770/3.6=2...(6) HD3 LYS 68 + H TYR 41 OK 14 99 - 14 - 1770/3.6=2, 5.9/6660=2...(7) HD2 LYS 68 + H TYR 41 OK 14 98 - 14 - 1770/3.6=2, 5.9/6660=2...(7) HB3 LEU 6 + H TYR 41 OK 13 100 - 13 - 3.1/8869=3, 3.1/8870=3...(4) HB ILE 76 + H TYR 41 OK 11 100 - 11 - 2.1/8868=2, 3.2/8869=2 HD3 LYS 73 - H TYR 41 lone 2 61 - 4 - HB3 ARG 79 - H TYR 41 lone 2 96 - 2 - Peak 6647 from nnoeabs.peaks (1.68, 7.82, 117.81 ppm; 3.25 A): 5 out of 23 assignments used, quality = 0.87: * HB3 LYS 40 + H TYR 41 OK 78 100 - 78 - 4.3=42, 1.8/1793=17...(18) HB ILE 52 + H TYR 41 OK 16 84 - 19 - 2.1/8869=4, 3.2/8870=3...(8) HD3 LYS 47 + H TYR 41 OK 11 100 - 11 - ~10615=2, ~10616=1...(4) HD2 LYS 47 + H TYR 41 OK 11 100 - 11 - ~10615=2, ~10616=1...(4) HG LEU 70 + H TYR 41 OK 10 77 - 13 - 4.9/6659=3, 3150/4.6=2...(5) HG3 LYS 20 - H TYR 41 lone 8 94 - 8 - 1771/3.6=1, 3.0/8882=1 HB3 LYS 53 - H TYR 41 lone 7 100 - 7 - 1771/3.6=1, 1786/4.3=1 HG12 ILE 15 - H TYR 41 lone 7 92 - 8 - 4.6/6642=2, ~10417=1 HD2 LYS 20 - H TYR 41 lone 7 98 - 7 - 1771/3.6=1, 3.5/8882=1 HD3 LYS 20 - H TYR 41 lone 6 94 - 7 - 3.5/8882=1, 1771/3.6=1 HB3 ARG 91 - H TYR 41 lone 6 100 - 6 - HG2 PRO 86 - H TYR 41 lone 4 94 - 4 - 2.3/8880=1 HD2 LYS 73 - H TYR 41 lone 3 73 - 4 - HD2 LYS 12 - H TYR 41 lone 3 70 - 4 - HD3 LYS 12 - H TYR 41 lone 3 70 - 4 - HB2 LEU 2 - H TYR 41 lone 3 65 - 4 - 3.1/8868=1 HD3 LYS 73 - H TYR 41 lone 3 65 - 4 - HD3 LYS 90 - H TYR 41 lone 2 84 - 3 - HD2 LYS 13 - H TYR 41 lone 2 70 - 3 - 6.0/6642=1 HD3 LYS 13 - H TYR 41 lone 2 61 - 3 - 6.0/6642=1 HD2 LYS 24 - H TYR 41 lone 1 87 - 1 - HD3 LYS 24 - H TYR 41 lone 1 84 - 1 - HD3 LYS 66 - H TYR 41 lone 1 65 - 1 - Peak 6648 from nnoeabs.peaks (1.16, 7.82, 117.81 ppm; 4.56 A): 3 out of 5 assignments used, quality = 0.95: * HG2 LYS 40 + H TYR 41 OK 89 100 - 89 - 2.9/1805=26, 2.9/1793=25...(19) HB3 LEU 3 + H TYR 41 OK 33 96 - 35 - 1772/3.6=7, 1799/4.3=7...(9) HB2 LEU 29 + H TYR 41 OK 27 100 - 27 - 1772/3.6=5, 1787/4.3=5...(5) QG2 THR 31 - H TYR 41 poor 9 70 - 12 - 4.0/10516=3, 10515=2...(4) QG2 THR 34 - H TYR 41 poor 9 70 - 12 - 8848/8880=2, 8835/6640=1...(5) Peak 6649 from nnoeabs.peaks (1.36, 7.82, 117.81 ppm; 4.56 A): 3 out of 9 assignments used, quality = 0.97: * HG3 LYS 40 + H TYR 41 OK 89 100 - 89 - 2.9/1805=26, 2.9/1793=25...(20) HG2 LYS 39 + H TYR 41 OK 51 81 - 63 - 3.9/6643=23, 5.2/6613=12...(12) HG12 ILE 8 + H TYR 41 OK 45 99 - 46 - 3.1/8869=8, 2.9/8882=7...(13) HG3 LYS 68 - H TYR 41 OK 36 92 - 39 - 4.6/6660=6, 1773/3.6=5...(11) HB2 LEU 70 - H TYR 41 OK 34 92 - 37 - 3.9/6659=9, 3133/4.6=8...(8) HG LEU 14 - H TYR 41 OK 31 94 - 32 - 2.1/8870=5, ~10409=5...(10) HB3 ARG 30 - H TYR 41 OK 24 87 - 27 - 1.8/10509=6, 2.9/10508=5...(7) HB3 LEU 27 - H TYR 41 OK 13 77 - 17 - 1788/4.3=3, 1800/4.3=3...(7) HB2 LYS 82 - H TYR 41 poor 10 73 - 13 - 1788/4.3=2, 1800/4.3=2 Peak 6650 from nnoeabs.peaks (1.46, 7.82, 117.81 ppm; 4.44 A): 4 out of 14 assignments used, quality = 0.99: * HD2 LYS 40 + H TYR 41 OK 78 100 - 78 - 3.5/1805=22, 3.5/1793=22...(19) HD3 LYS 40 + H TYR 41 OK 78 100 - 78 - 3.5/1805=22, 3.5/1793=22...(19) HB2 LEU 38 + H TYR 41 OK 60 94 - 64 - 3.8/8884=23, 3.0/1623=22...(8) HG LEU 38 + H TYR 41 OK 54 99 - 54 - 3.7/1623=20, 5.3/8884=17...(9) HG13 ILE 52 - H TYR 41 OK 33 97 - 34 - 2.1/8870=6, 3.2/8869=6...(10) HG2 LYS 20 - H TYR 41 OK 17 97 - 17 - 3.0/8882=2, 1.8/6647=2...(7) HB2 LEU 27 - H TYR 41 OK 15 97 - 15 - 1790/4.3=2, 1802/4.3=2...(6) HG2 LYS 53 - H TYR 41 OK 13 100 - 13 - 1802/4.3=2, 1775/3.6=2...(4) HG3 LYS 53 - H TYR 41 OK 12 99 - 13 - 1802/4.3=2, 1775/3.6=2...(4) HD2 LYS 82 - H TYR 41 OK 12 99 - 12 - 1790/4.3=2, 1802/4.3=2...(4) HD2 LYS 53 - H TYR 41 OK 11 99 - 11 - 2440/4.3=2, 1775/3.6=1...(4) HG3 ARG 91 - H TYR 41 poor 9 87 - 11 - 1642/8884=2, 2.8/6647=1 HG2 LYS 12 - H TYR 41 poor 7 61 - 11 - 416/3.6=2, 3.7/6645=1 HG LEU 64 - H TYR 41 lone 6 73 - 8 - 3.0/8880=3, 2.1/8868=2 Peak 6651 from nnoeabs.peaks (1.47, 7.82, 117.81 ppm; 4.44 A): 4 out of 13 assignments used, quality = 0.99: HD2 LYS 40 + H TYR 41 OK 78 100 - 78 - 3.5/1805=22, 3.5/1793=22...(19) * HD3 LYS 40 + H TYR 41 OK 78 100 - 78 - 3.5/1805=22, 3.5/1793=22...(19) HB2 LEU 38 + H TYR 41 OK 59 92 - 64 - 3.8/8884=23, 3.0/1623=22...(8) HG LEU 38 + H TYR 41 OK 53 98 - 54 - 3.7/1623=20, 5.3/8884=17...(9) HG13 ILE 52 - H TYR 41 OK 32 96 - 34 - 2.1/8870=6, 3.2/8869=6...(10) HG2 LYS 20 - H TYR 41 OK 16 96 - 17 - 3.0/8882=2, 1.8/6647=2...(7) HB2 LEU 27 - H TYR 41 OK 14 96 - 15 - 1790/4.3=2, 1802/4.3=2...(5) HG2 LYS 53 - H TYR 41 OK 13 100 - 13 - 1802/4.3=2, 1775/3.6=2...(4) HG3 LYS 53 - H TYR 41 OK 13 100 - 13 - 1802/4.3=2, 1775/3.6=2...(4) HD2 LYS 82 - H TYR 41 OK 12 98 - 12 - 1790/4.3=2, 1802/4.3=2...(4) HD2 LYS 53 - H TYR 41 OK 11 98 - 11 - 2440/4.3=2, 1775/3.6=1...(4) HG3 ARG 91 - H TYR 41 poor 9 84 - 10 - 1642/8884=2, 2.8/6647=1 HG LEU 64 - H TYR 41 lone 7 77 - 8 - 3.0/8880=3, 2.1/8868=2 Peak 6654 from nnoeabs.peaks (3.93, 7.82, 117.81 ppm; 3.41 A): 1 out of 4 assignments used, quality = 1.00: * HA TYR 41 + H TYR 41 OK 100 100 - 100 - 3.0=100 HA GLU 44 - H TYR 41 OK 35 92 - 38 - ~1879=6, 1884/4.0=4...(17) HB3 SER 9 - H TYR 41 OK 22 100 - 22 - 339=3, 1.8/334=3, ~337=2...(9) HA GLU 63 - H TYR 41 OK 11 84 - 13 - 1892/4.0=2, 1884/4.0=2...(8) Peak 6655 from nnoeabs.peaks (2.31, 7.82, 117.81 ppm; 3.52 A): 2 out of 7 assignments used, quality = 0.92: * HB2 TYR 41 + H TYR 41 OK 88 100 - 88 - 4.0=68, 1.8/6656=28...(11) HG3 GLU 43 + H TYR 41 OK 32 96 - 34 - 5.0/6683=9, 1874/3.0=5...(10) HG2 GLU 63 - H TYR 41 poor 8 61 - 13 - ~2794=2, 1874/3.0=2...(7) HB2 GLU 48 - H TYR 41 poor 8 73 - 10 - 4.0/6644=2, 1874/3.0=2 HD3 ARG 81 - H TYR 41 lone 6 98 - 6 - 1874/3.0=2, 1893/4.0=1 HG2 GLU 48 - H TYR 41 lone 4 61 - 6 - 4.9/6644=2 HG3 GLU 16 - H TYR 41 lone 3 73 - 4 - Peak 6656 from nnoeabs.peaks (2.64, 7.82, 117.81 ppm; 3.26 A): 2 out of 4 assignments used, quality = 0.82: * HB3 TYR 41 + H TYR 41 OK 78 100 - 78 - 4.0=54, 1.8/1883=20...(10) HG3 MET 74 + H TYR 41 OK 16 77 - 21 - 1875/3.0=4, 1886/4.0=3...(8) HB3 ASP 77 - H TYR 41 lone 9 100 - 9 - 1875/3.0=2, 6669/4.6=2 HB3 ASP 65 - H TYR 41 lone 9 100 - 8 - 1875/3.0=2, 1886/4.0=1 Peak 6657 from nnoeabs.peaks (6.83, 7.82, 117.81 ppm; 3.66 A): 2 out of 2 assignments used, quality = 0.94: * HD1 TYR 41 + H TYR 41 OK 76 100 - 76 - 5.4=31, 3.7/6656=18...(18) HD2 TYR 41 + H TYR 41 OK 75 98 - 76 - 5.3=32, 3.7/6656=18...(17) Peak 6659 from nnoeabs.peaks (7.96, 7.82, 117.81 ppm; 3.30 A): 2 out of 2 assignments used, quality = 0.82: * H LEU 42 + H TYR 41 OK 75 100 - 75 - 4.6=37, 4.1/6656=13...(14) H LEU 70 + H TYR 41 OK 27 100 - 27 - 1878/3.0=5, 6638/4.6=4...(9) Peak 6660 from nnoeabs.peaks (8.19, 7.82, 117.81 ppm; 4.64 A): 3 out of 4 assignments used, quality = 0.95: * H GLU 43 + H TYR 41 OK 87 100 - 87 - 6683=38, 4.6/6666=23...(19) H LYS 68 + H TYR 41 OK 41 97 - 42 - 7116/4.6=9, 1779/3.6=9...(15) H ASP 36 + H TYR 41 OK 37 96 - 39 - 1779/3.6=10, 6678/4.6=6...(11) H PHE 96 - H TYR 41 lone 3 61 - 5 - 1779/3.6=1 Peak 6661 from nnoeabs.peaks (7.96, 7.96, 115.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 42 + H LEU 42 OK 100 100 - 100 Peak 6662 from nnoeabs.peaks (3.87, 7.96, 115.96 ppm; 3.99 A): 4 out of 12 assignments used, quality = 0.95: HA LYS 40 + H LEU 42 OK 66 94 - 71 - 3.6/6666=23, 2.9/6664=19...(17) HA GLU 43 + H LEU 42 OK 59 94 - 63 - 2.9/6685=24, 3.6/6679=18...(13) * HA LEU 38 + H LEU 42 OK 48 100 - 48 - 1623/4.6=13, 1625/4.1=10...(13) HA LYS 94 + H LEU 42 OK 26 96 - 28 - 3.0/10590=4, ~1906=3...(10) HA GLU 35 - H LEU 42 OK 26 84 - 31 - 3.0/10590=9, 3.6/6678=6...(8) HA2 GLY 100 - H LEU 42 OK 24 96 - 25 - 1.8/6672=6, 4437/3.0=3...(9) HA2 GLY 101 - H LEU 42 OK 10 96 - 10 - ~7631=2, 4437/3.0=1 HB3 SER 49 - H LEU 42 poor 9 70 - 13 - 10597/4.7=2, 8924/4.7=2 HA ARG 91 - H LEU 42 lone 7 81 - 9 - 6692/4.6=1 HA LYS 12 - H LEU 42 poor 7 61 - 11 - 8950/6663=1 HA3 GLY 101 - H LEU 42 lone 4 61 - 6 - ~7631=2 HB2 SER 102 - H LEU 42 lone 1 57 - 1 - Peak 6663 from nnoeabs.peaks (3.61, 7.96, 115.96 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.84: * HA LYS 39 + H LEU 42 OK 84 100 - 84 - 1677=24, 1909/4.0=20...(13) Peak 6664 from nnoeabs.peaks (7.63, 7.96, 115.96 ppm; 4.37 A): 3 out of 3 assignments used, quality = 0.89: * H LYS 40 + H LEU 42 OK 84 100 - 84 - 6638=31, 3.6/6663=31...(14) HE22 GLN 50 + H LEU 42 OK 19 94 - 20 - 6644/4.6=4, 8891/4.1=3...(5) H GLU 48 + H LEU 42 OK 13 70 - 19 - 8892/4.1=3, 6644/4.6=3...(8) Peak 6665 from nnoeabs.peaks (3.86, 7.96, 115.96 ppm; 3.99 A): 4 out of 10 assignments used, quality = 0.94: * HA LYS 40 + H LEU 42 OK 73 100 - 73 - 3.6/6666=23, 2.9/6664=19...(19) HA LEU 38 + H LEU 42 OK 43 94 - 46 - 1623/4.6=11, 1625/4.1=9...(12) HA GLU 43 + H LEU 42 OK 40 65 - 61 - 2.9/6685=24, 3.6/6679=18...(13) HA LYS 94 + H LEU 42 OK 30 100 - 30 - 3.0/10590=4, 6682/4.6=3...(12) HA2 GLY 100 - H LEU 42 OK 28 100 - 28 - 1.8/6672=6, 4437/3.0=4...(10) HA ALA 67 - H LEU 42 OK 27 90 - 30 - 3.6/7116=9, 2978=7...(7) HA ALA 71 - H LEU 42 OK 26 61 - 43 - 3.0/7157=9, 2.1/8913=8...(13) HB3 SER 49 - H LEU 42 OK 18 96 - 18 - 8924/4.7=3, 9073/4.7=3...(4) HA LYS 12 - H LEU 42 OK 13 92 - 14 - 8950/6663=2, 8924/4.7=2 HA2 GLY 101 - H LEU 42 OK 12 100 - 12 - ~7631=2, 4437/3.0=1 Peak 6666 from nnoeabs.peaks (7.82, 7.96, 115.96 ppm; 3.34 A): 2 out of 4 assignments used, quality = 0.80: * H TYR 41 + H LEU 42 OK 76 100 - 76 - 4.6=38, 6656/4.1=13...(14) H SER 9 + H LEU 42 OK 18 87 - 20 - 1872/3.6=5, 1883/4.1=3...(6) H LYS 73 - H LEU 42 lone 4 65 - 7 - H ASN 26 - H LEU 42 lone 3 70 - 5 - Peak 6667 from nnoeabs.peaks (3.93, 7.96, 115.96 ppm; 4.09 A): 2 out of 4 assignments used, quality = 1.00: * HA TYR 41 + H LEU 42 OK 100 100 - 100 - 3.6=100 HA GLU 44 + H LEU 42 OK 47 92 - 51 - 3.0/6679=22, 6684/4.6=7...(9) HB3 SER 9 - H LEU 42 OK 24 100 - 24 - 4.0/6666=5, 339/4.6=4...(8) HA GLU 63 - H LEU 42 OK 14 84 - 16 - 3.0/10591=3, 1892/4.1=3...(7) Peak 6668 from nnoeabs.peaks (2.31, 7.96, 115.96 ppm; 3.82 A): 2 out of 7 assignments used, quality = 0.96: * HB2 TYR 41 + H LEU 42 OK 92 100 - 92 - 4.1=79, 1.8/6669=24...(10) HG3 GLU 43 + H LEU 42 OK 44 96 - 47 - 5.0/6685=12, 3.0/6675=7...(12) HB2 GLU 48 - H LEU 42 OK 10 73 - 14 - 4.0/6679=3, 1874/3.6=2...(5) HG2 GLU 63 - H LEU 42 poor 7 61 - 12 - 3.0/10591=3, 1874/3.6=2...(5) HD3 ARG 81 - H LEU 42 lone 6 98 - 6 - 1874/3.6=2, 1893/4.1=2 HG2 GLU 48 - H LEU 42 lone 5 61 - 8 - 4.9/6679=3, 6696/4.6=1 HG3 GLU 16 - H LEU 42 lone 4 73 - 5 - 1.8/3123=1 Peak 6669 from nnoeabs.peaks (2.64, 7.96, 115.96 ppm; 3.64 A): 4 out of 4 assignments used, quality = 0.93: * HB3 TYR 41 + H LEU 42 OK 86 100 - 86 - 4.1=68, 1.8/6668=18...(13) HG3 MET 74 + H LEU 42 OK 29 77 - 38 - 3.4/9587=8, 10595/4.7=6...(10) HB3 ASP 77 + H LEU 42 OK 16 100 - 16 - ~10601=2, 8919/4.0=2...(7) HB3 ASP 65 + H LEU 42 OK 11 100 - 11 - 1875/3.6=2, 9488/4.6=2...(4) Peak 6670 from nnoeabs.peaks (6.83, 7.96, 115.96 ppm; 4.56 A): 2 out of 2 assignments used, quality = 0.87: * HD1 TYR 41 + H LEU 42 OK 64 100 - 65 - 3.7/6669=21, 1876/3.6=20...(12) HD2 TYR 41 + H LEU 42 OK 63 98 - 64 - 3.7/6669=21, 1876/3.6=19...(12) Peak 6672 from nnoeabs.peaks (3.70, 7.96, 115.96 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 42 + H LEU 42 OK 100 100 - 100 - 3.0=100 HA GLU 37 - H LEU 42 OK 42 99 - 42 - 6640/4.6=6, 1911/4.0=5...(15) HA3 GLY 100 - H LEU 42 OK 24 90 - 27 - 1920/4.0=4, 1911/4.0=3...(11) Peak 6673 from nnoeabs.peaks (1.81, 7.96, 115.96 ppm; 3.25 A): 4 out of 8 assignments used, quality = 0.94: * HB2 LEU 42 + H LEU 42 OK 84 100 - 84 - 4.0=55, 1.8/6674=18...(15) HB2 LYS 39 + H LEU 42 OK 42 94 - 45 - 3.0/6663=20, 4.6/6664=8...(9) HB ILE 93 + H LEU 42 OK 22 99 - 22 - 3.0/10590=4, 1900/3.0=3...(9) HB2 LYS 90 + H LEU 42 OK 18 99 - 18 - 3928/4.0=3, 1900/3.0=3...(9) HB2 GLU 88 - H LEU 42 lone 6 100 - 6 - HB2 GLU 104 - H LEU 42 lone 5 100 - 5 - HG2 ARG 46 - H LEU 42 lone 3 65 - 5 - 6687/4.6=1 HB3 LEU 57 - H LEU 42 lone 3 70 - 4 - Peak 6674 from nnoeabs.peaks (1.30, 7.96, 115.96 ppm; 3.61 A): 1 out of 4 assignments used, quality = 0.93: * HB3 LEU 42 + H LEU 42 OK 93 100 - 93 - 4.0=75, 1.8/6673=19...(15) HG LEU 3 - H LEU 42 OK 24 99 - 24 - 1901/3.0=5, 1913/4.0=4...(8) HG2 ARG 30 - H LEU 42 OK 23 94 - 25 - 1901/3.0=5, 1913/4.0=4...(7) HG2 LYS 90 - H LEU 42 OK 17 73 - 23 - 1901/3.0=4, 1913/4.0=4...(9) Peak 6675 from nnoeabs.peaks (1.90, 7.96, 115.96 ppm; 3.03 A): 5 out of 9 assignments used, quality = 0.89: * HG LEU 42 + H LEU 42 OK 69 100 - 70 - 4.9=24, 2.1/1943=12...(14) HB2 GLU 43 + H LEU 42 OK 33 92 - 37 - 4.0/6685=10, 4.4/6679=8...(12) HB VAL 54 + H LEU 42 OK 27 90 - 31 - ~10657=8, 2.1/6677=5...(9) HB3 LEU 14 + H LEU 42 OK 15 98 - 15 - 3.1/6676=2, 1902/3.0=2...(7) HB ILE 8 + H LEU 42 OK 14 100 - 14 - 2.9/8912=2, 4.4/6666=2...(4) HB2 LYS 20 - H LEU 42 lone 5 97 - 6 - HB2 ARG 19 - H LEU 42 lone 4 99 - 4 - HB3 LYS 33 - H LEU 42 lone 4 61 - 6 - ~10601=4 HB3 LYS 13 - H LEU 42 lone 3 65 - 5 - 3.0/8913=1 Peak 6676 from nnoeabs.peaks (0.69, 7.96, 115.96 ppm; 3.53 A): 3 out of 6 assignments used, quality = 0.96: * QD1 LEU 42 + H LEU 42 OK 87 100 - 88 - 4.7=43, 2.1/1927=20...(18) QD2 LEU 6 + H LEU 42 OK 46 100 - 46 - 8229/4.1=12, 8874/4.1=6...(14) QD1 ILE 52 + H LEU 42 OK 38 98 - 38 - 1903/3.0=5, 1924/4.0=4...(12) QD1 LEU 14 - H LEU 42 OK 24 90 - 27 - 10409/3.6=3, 1903/3.0=3...(12) QG2 VAL 58 - H LEU 42 OK 11 84 - 13 - 10227/3.6=2, 1915/4.0=1...(5) QD1 ILE 56 - H LEU 42 lone 3 61 - 6 - Peak 6677 from nnoeabs.peaks (0.77, 7.96, 115.96 ppm; 3.38 A): 3 out of 9 assignments used, quality = 0.94: * QD2 LEU 42 + H LEU 42 OK 81 100 - 81 - 4.7=38, 2.1/1927=18...(13) QG1 VAL 54 + H LEU 42 OK 50 99 - 50 - 10657/3.0=22...(10) QD1 LEU 6 + H LEU 42 OK 39 99 - 40 - 8227/4.1=10, 8228/4.1=7...(13) QD1 ILE 93 - H LEU 42 OK 23 100 - 23 - 2.1/10590=5, 3.2/6673=3...(9) QG2 ILE 52 - H LEU 42 OK 22 87 - 25 - 3.1/6676=4, 8876/4.1=3...(11) QG2 ILE 93 - H LEU 42 OK 14 73 - 18 - 2.1/6673=4, 3.2/10590=4...(7) QD1 ILE 15 - H LEU 42 OK 11 97 - 12 - 10417/3.6=2, 1904/3.0=1 HG13 ILE 15 - H LEU 42 lone 8 87 - 9 - 1.8/8914=1, 1904/3.0=1 QD1 LEU 27 - H LEU 42 lone 8 100 - 7 - Peak 6678 from nnoeabs.peaks (8.19, 7.96, 115.96 ppm; 3.35 A): 3 out of 4 assignments used, quality = 0.90: * H GLU 43 + H LEU 42 OK 78 100 - 78 - 4.6=39, 6688/4.0=10...(17) H LYS 68 + H LEU 42 OK 34 97 - 35 - 7116=8, 4.6/7137=4...(11) H ASP 36 + H LEU 42 OK 28 96 - 29 - 1905/3.0=4, 4.7/10590=4...(11) H PHE 96 - H LEU 42 lone 3 61 - 4 - Peak 6679 from nnoeabs.peaks (7.60, 7.96, 115.96 ppm; 4.27 A): 2 out of 3 assignments used, quality = 0.82: * H GLU 44 + H LEU 42 OK 78 100 - 78 - 6702=24, 1879/3.6=20...(17) H GLU 48 + H LEU 42 OK 17 81 - 21 - 1879/3.6=6, 6697/4.6=4...(6) HD22 ASN 10 - H LEU 42 lone 8 99 - 8 - 6697/4.6=3, 1879/3.6=2 Peak 6680 from nnoeabs.peaks (8.19, 8.19, 117.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 43 + H GLU 43 OK 100 100 - 100 Peak 6681 from nnoeabs.peaks (3.61, 8.19, 117.17 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.82: * HA LYS 39 + H GLU 43 OK 82 100 - 82 - 6663/4.6=26, 1909/4.6=23...(19) Peak 6682 from nnoeabs.peaks (3.86, 8.19, 117.17 ppm; 3.16 A): 6 out of 10 assignments used, quality = 0.95: HA GLU 43 + H GLU 43 OK 65 65 - 100 - 2.9=100 * HA LYS 40 + H GLU 43 OK 54 100 - 55 - 1779=19, 3.6/6683=10...(11) HA LEU 38 + H GLU 43 OK 34 94 - 36 - 3.6/10556=5, 2.9/8941=5...(13) HA LYS 94 + H GLU 43 OK 31 100 - 31 - 3.0/6698=6, 1961/4.0=2...(11) HA ALA 67 + H GLU 43 OK 16 90 - 18 - 2.1/2985=4, 3.0/7096=3...(5) HA2 GLY 100 + H GLU 43 OK 14 100 - 14 - 1.8/6686=3, 4437/3.6=2 HA ALA 71 - H GLU 43 poor 9 61 - 15 - 3.0/6698=5, 2978/4.6=2, 2977=1 HA2 GLY 101 - H GLU 43 lone 9 100 - 9 - HB3 SER 49 - H GLU 43 lone 7 96 - 7 - HA LYS 12 - H GLU 43 lone 6 92 - 7 - Peak 6683 from nnoeabs.peaks (7.82, 8.19, 117.17 ppm; 4.61 A): 2 out of 4 assignments used, quality = 0.86: * H TYR 41 + H GLU 43 OK 84 100 - 84 - 6660=25, 6666/4.6=23...(19) H SER 9 + H GLU 43 OK 16 87 - 18 - 6666/4.6=5, 4.0/6684=2...(6) H LYS 73 - H GLU 43 lone 5 65 - 7 - 6666/4.6=1, 10559/6681=1 H ASN 26 - H GLU 43 lone 5 70 - 7 - 6666/4.6=1 Peak 6684 from nnoeabs.peaks (3.93, 8.19, 117.17 ppm; 3.95 A): 3 out of 4 assignments used, quality = 0.86: * HA TYR 41 + H GLU 43 OK 70 100 - 70 - 3.6/6685=20, 3.0/6683=18...(15) HA GLU 44 + H GLU 43 OK 48 92 - 52 - 3.0/6697=26, 3.6/6698=10...(8) HB3 SER 9 + H GLU 43 OK 11 100 - 11 - 4.0/6683=3, 6667/4.6=2...(4) HA GLU 63 - H GLU 43 lone 8 84 - 10 - 6667/4.6=1, 3.0/6695=1 Peak 6685 from nnoeabs.peaks (7.96, 8.19, 117.17 ppm; 3.34 A): 2 out of 2 assignments used, quality = 0.87: * H LEU 42 + H GLU 43 OK 78 100 - 78 - 4.6=38, 4.0/6688=10...(17) H LEU 70 + H GLU 43 OK 40 100 - 40 - 1898/3.6=6, 7141=6...(14) Peak 6686 from nnoeabs.peaks (3.70, 8.19, 117.17 ppm; 4.25 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 42 + H GLU 43 OK 100 100 - 100 - 3.6=100 HA GLU 37 + H GLU 43 OK 48 99 - 49 - 3.6/8941=9, 3.0/6567=9...(16) HA3 GLY 100 - H GLU 43 OK 26 90 - 28 - 1920/4.6=4, 1911/4.6=4...(9) Peak 6687 from nnoeabs.peaks (1.81, 8.19, 117.17 ppm; 3.70 A): 3 out of 8 assignments used, quality = 0.93: * HB2 LEU 42 + H GLU 43 OK 82 100 - 82 - 4.6=51, 1.8/6688=21...(16) HB2 LYS 39 + H GLU 43 OK 47 94 - 51 - 3.0/6681=22, 4.0/10556=7...(15) HB ILE 93 + H GLU 43 OK 25 99 - 25 - 4.4/6698=6, 1900/3.6=3...(8) HB2 LYS 90 - H GLU 43 OK 20 99 - 20 - 3928/4.6=3, 1900/3.6=3...(6) HG2 ARG 46 - H GLU 43 OK 17 65 - 26 - ~12084=6, ~12085=2...(12) HB2 GLU 88 - H GLU 43 OK 13 100 - 13 - 1.8/6694=2 HB2 GLU 104 - H GLU 43 lone 5 100 - 5 - HB3 LEU 57 - H GLU 43 lone 3 70 - 4 - Peak 6688 from nnoeabs.peaks (1.30, 8.19, 117.17 ppm; 3.99 A): 4 out of 4 assignments used, quality = 0.93: * HB3 LEU 42 + H GLU 43 OK 87 100 - 87 - 4.6=64, 4.0/6685=18...(16) HG2 ARG 30 + H GLU 43 OK 19 94 - 20 - 1901/3.6=5, 1913/4.6=4...(5) HG LEU 3 + H GLU 43 OK 18 99 - 18 - 1901/3.6=5, 1913/4.6=4...(4) HG2 LYS 90 + H GLU 43 OK 15 73 - 20 - 1901/3.6=4, 1913/4.6=4...(6) Peak 6689 from nnoeabs.peaks (1.90, 8.19, 117.17 ppm; 3.20 A): 5 out of 9 assignments used, quality = 0.92: HB2 GLU 43 + H GLU 43 OK 73 92 - 79 - 4.0=50, 1.8/1970=21...(17) * HG LEU 42 + H GLU 43 OK 55 100 - 55 - 3.0/6688=12, 3.0/6687=8...(16) HB VAL 54 + H GLU 43 OK 14 90 - 16 - 2.1/6691=4, 1902/3.6=3...(5) HB3 LEU 14 + H GLU 43 OK 13 98 - 13 - 1902/3.6=2, 3.1/6690=2...(5) HB ILE 8 + H GLU 43 OK 12 100 - 12 - 4.4/6683=2, 1902/3.6=1...(4) HB2 LYS 20 - H GLU 43 lone 7 97 - 7 - HB2 ARG 19 - H GLU 43 lone 4 99 - 4 - HB3 LYS 13 - H GLU 43 lone 3 65 - 5 - HB3 LYS 33 - H GLU 43 lone 2 61 - 3 - Peak 6690 from nnoeabs.peaks (0.69, 8.19, 117.17 ppm; 4.39 A): 5 out of 6 assignments used, quality = 0.95: * QD1 LEU 42 + H GLU 43 OK 82 100 - 82 - 3.1/6688=21, 1936/3.6=18...(23) QD1 ILE 52 + H GLU 43 OK 38 98 - 39 - 1903/3.6=6, 1924/4.6=6...(13) QD2 LEU 6 + H GLU 43 OK 33 100 - 33 - 6676/4.6=6, 1903/3.6=6...(10) QD1 LEU 14 + H GLU 43 OK 22 90 - 25 - 1903/3.6=4, 1915/4.6=3...(7) QG2 VAL 58 + H GLU 43 OK 11 84 - 12 - 1915/4.6=2, 1924/4.6=1...(4) QD1 ILE 56 - H GLU 43 lone 6 61 - 9 - 10607/5.0=1 Peak 6691 from nnoeabs.peaks (0.77, 8.19, 117.17 ppm; 4.22 A): 4 out of 9 assignments used, quality = 0.94: * QD2 LEU 42 + H GLU 43 OK 79 100 - 79 - 1944/3.6=22, 3.1/6688=20...(16) QG1 VAL 54 + H GLU 43 OK 50 99 - 51 - 10657/3.6=27...(6) QD1 ILE 93 + H GLU 43 OK 27 100 - 27 - 3.2/6687=4, 4164/4.6=4...(9) QD1 LEU 6 + H GLU 43 OK 26 99 - 26 - 2.1/6690=6, 6677/4.6=4...(9) QG2 ILE 52 - H GLU 43 OK 20 87 - 24 - 3.1/6690=6, 1904/3.6=3...(6) QG2 ILE 93 - H GLU 43 OK 20 73 - 27 - 4.3/6698=8, 2.1/6687=5...(8) QD1 ILE 15 - H GLU 43 OK 14 97 - 14 - 2.1/10610=2, 1904/3.6=2...(5) QD1 LEU 27 - H GLU 43 lone 10 100 - 10 - 8974/4.6=1, 1904/3.6=1 HG13 ILE 15 - H GLU 43 poor 9 87 - 10 - 1.8/10610=2, 1904/3.6=1 Peak 6692 from nnoeabs.peaks (3.88, 8.19, 117.17 ppm; 3.32 A): 2 out of 11 assignments used, quality = 1.00: * HA GLU 43 + H GLU 43 OK 100 100 - 100 - 2.9=100 HA GLU 35 + H GLU 43 OK 49 99 - 49 - 3.0/1547=7, 3.0/1540=7...(19) HA LEU 38 - H GLU 43 OK 37 94 - 39 - 3.6/10556=6, 2.9/8941=6...(13) HA LYS 40 - H GLU 43 OK 28 65 - 43 - 3.6/6683=11, 1779=10...(9) HA LYS 94 - H GLU 43 OK 20 70 - 29 - 3.0/6698=7, 3.0/6693=2...(11) HA ARG 91 - H GLU 43 OK 17 99 - 17 - 1951=2, 1963/4.0=1...(4) HA2 GLY 100 - H GLU 43 poor 8 70 - 11 - 1.8/6686=3, 4437/3.6=1 HA3 GLY 101 - H GLU 43 lone 7 92 - 8 - HA2 GLY 101 - H GLU 43 lone 5 70 - 7 - HA ALA 89 - H GLU 43 lone 2 65 - 4 - HB2 SER 102 - H GLU 43 lone 1 90 - 1 - Peak 6693 from nnoeabs.peaks (1.91, 8.19, 117.17 ppm; 3.20 A): 5 out of 12 assignments used, quality = 0.93: * HB2 GLU 43 + H GLU 43 OK 79 100 - 79 - 4.0=50, 1.8/1970=21...(17) HG LEU 42 + H GLU 43 OK 50 92 - 54 - 3.0/6688=12, 3.0/6687=8...(15) HB2 LYS 94 + H GLU 43 OK 18 73 - 25 - 4.0/6698=5, ~4196=3...(9) HB3 LEU 14 + H GLU 43 OK 13 99 - 13 - 3.1/6690=2, 1902/3.6=2...(5) HB ILE 8 + H GLU 43 OK 10 90 - 12 - 4.4/6683=2, 1972/4.0=1...(4) HB3 LYS 47 - H GLU 43 poor 7 65 - 11 - 4.7/6697=2, 6706/4.6=2 HB3 LYS 13 - H GLU 43 lone 5 96 - 5 - HB2 LYS 20 - H GLU 43 lone 5 70 - 6 - HB2 LYS 13 - H GLU 43 lone 3 92 - 4 - HB3 LYS 33 - H GLU 43 lone 3 94 - 3 - HB2 ARG 19 - H GLU 43 lone 3 81 - 4 - HB2 LYS 33 - H GLU 43 lone 2 90 - 2 - Peak 6694 from nnoeabs.peaks (2.06, 8.19, 117.17 ppm; 3.10 A): 4 out of 10 assignments used, quality = 0.89: * HB3 GLU 43 + H GLU 43 OK 73 100 - 73 - 4.0=45, 1.8/1962=17...(12) HB3 LEU 38 + H GLU 43 OK 30 96 - 32 - 3.8/8941=4, 4.6/10556=4...(13) HB3 GLU 35 + H GLU 43 OK 29 73 - 40 - 1.8/1540=7, 1547=6...(13) HB2 MET 74 + H GLU 43 OK 14 100 - 14 - 4.2/9585=7, 6707/4.6=2 HB3 GLU 88 - H GLU 43 lone 6 84 - 7 - 1.8/6687=2 HB2 GLU 16 - H GLU 43 lone 5 90 - 6 - HB3 GLU 48 - H GLU 43 lone 5 70 - 8 - 4.0/6697=2, 3.0/6696=2 HG3 GLU 28 - H GLU 43 lone 1 100 - 1 - HG2 GLU 28 - H GLU 43 lone 1 100 - 1 - HB2 MET 21 - H GLU 43 lone 1 81 - 1 - Peak 6695 from nnoeabs.peaks (2.19, 8.19, 117.17 ppm; 3.75 A): 3 out of 11 assignments used, quality = 0.96: * HG2 GLU 43 + H GLU 43 OK 79 100 - 79 - 5.0=41, 1.8/1984=22...(10) HG3 GLU 35 + H GLU 43 OK 56 96 - 59 - 2.9/1547=9, 2.9/1540=8...(24) HG2 GLU 35 + H GLU 43 OK 56 96 - 59 - 2.9/1547=9, 2.9/1540=8...(24) HG2 MET 1 - H GLU 43 OK 11 92 - 12 - 8015/4.6=3, 3.0/12303=1 HB2 GLU 63 - H GLU 43 lone 9 94 - 9 - 3.0/6684=2, 10591/4.6=1 HG3 PRO 86 - H GLU 43 lone 6 97 - 6 - HB2 GLU 95 - H GLU 43 lone 4 73 - 6 - HB3 GLU 75 - H GLU 43 lone 3 100 - 3 - HB3 GLN 50 - H GLU 43 lone 2 81 - 2 - HG3 GLU 75 - H GLU 43 lone 1 81 - 2 - HG2 GLU 75 - H GLU 43 lone 1 73 - 2 - Peak 6696 from nnoeabs.peaks (2.32, 8.19, 117.17 ppm; 3.50 A): 3 out of 6 assignments used, quality = 0.88: * HG3 GLU 43 + H GLU 43 OK 76 100 - 76 - 5.0=34, 3.0/1970=18...(17) HB2 TYR 41 + H GLU 43 OK 47 96 - 49 - 4.1/6685=13, 3.0/6684=12...(10) HG2 GLU 48 + H GLU 43 OK 10 90 - 12 - 4.9/6697=2, 1967/4.0=2...(5) HG2 GLU 16 - H GLU 43 lone 6 73 - 8 - 1967/4.0=1, 1975/4.0=1 HG3 GLU 69 - H GLU 43 lone 5 65 - 7 - 5.1/7122=2, 3123/4.6=1 HD3 ARG 81 - H GLU 43 lone 3 81 - 4 - Peak 6697 from nnoeabs.peaks (7.60, 8.19, 117.17 ppm; 3.30 A): 3 out of 3 assignments used, quality = 0.82: * H GLU 44 + H GLU 43 OK 76 100 - 76 - 4.6=36, 1976/4.0=13...(14) H GLU 48 + H GLU 43 OK 16 81 - 20 - 1976/4.0=3, 1968/4.0=3...(6) HD22 ASN 10 + H GLU 43 OK 12 99 - 11 - 1976/4.0=2, 1968/4.0=2...(6) Peak 6698 from nnoeabs.peaks (8.26, 8.19, 117.17 ppm; 3.95 A): 3 out of 5 assignments used, quality = 0.83: * H PHE 45 + H GLU 43 OK 52 100 - 52 - 4.6/6697=16, 6719/3.6=11...(11) H LYS 94 + H GLU 43 OK 43 99 - 43 - 7502/2.9=9, 1906/3.6=5...(14) H ALA 71 + H GLU 43 OK 37 100 - 37 - 4.6/6685=8, 1906/3.6=7...(9) H GLU 23 - H GLU 43 lone 3 73 - 4 - H LEU 27 - H GLU 43 lone 2 61 - 4 - Peak 6699 from nnoeabs.peaks (7.60, 7.60, 120.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 44 + H GLU 44 OK 100 100 - 100 Peak 6700 from nnoeabs.peaks (3.86, 7.60, 120.47 ppm; 3.61 A): 9 out of 10 assignments used, quality = 0.94: HA GLU 43 + H GLU 44 OK 65 65 - 100 - 3.6=100 * HA LYS 40 + H GLU 44 OK 38 100 - 38 - 4.8/1879=10, 1779/4.6=9...(7) HA LYS 94 + H GLU 44 OK 34 100 - 34 - 3.0/6715=7, 4182/3.0=7...(11) HA LEU 38 + H GLU 44 OK 20 94 - 21 - 1969/4.4=4, 1961/4.4=4...(8) HA2 GLY 100 + H GLU 44 OK 15 100 - 14 - 1.8/6703=4, 3.6/6716=3 HA ALA 67 + H GLU 44 OK 13 90 - 14 - 3.6/6704=4, 2977/4.6=2...(4) HA ALA 71 + H GLU 44 OK 12 61 - 20 - 3.0/6715=8, ~1997=2...(6) HB3 SER 49 + H GLU 44 OK 11 96 - 11 - 3.0/9077=3, 3.9/6797=1 HA2 GLY 101 + H GLU 44 OK 11 100 - 10 - 3.0/6716=4 HA LYS 12 - H GLU 44 lone 4 92 - 4 - Peak 6701 from nnoeabs.peaks (3.93, 7.60, 120.47 ppm; 3.17 A): 2 out of 4 assignments used, quality = 0.97: HA GLU 44 + H GLU 44 OK 92 92 - 100 - 3.0=100 * HA TYR 41 + H GLU 44 OK 57 100 - 57 - 1879=15, 3.6/6679=11...(16) HB3 SER 9 - H GLU 44 OK 10 100 - 10 - 4.6/6121=1, 1.8/8976=1 HA GLU 63 - H GLU 44 lone 3 84 - 4 - Peak 6702 from nnoeabs.peaks (7.96, 7.60, 120.47 ppm; 4.71 A): 2 out of 2 assignments used, quality = 0.93: * H LEU 42 + H GLU 44 OK 86 100 - 86 - 6679=38, 3.6/1879=24...(17) H LEU 70 + H GLU 44 OK 48 100 - 49 - 6685/4.6=11, 4.6/6715=8...(16) Peak 6703 from nnoeabs.peaks (3.70, 7.60, 120.47 ppm; 4.86 A): 3 out of 3 assignments used, quality = 0.88: * HA LEU 42 + H GLU 44 OK 76 100 - 76 - 3.6/6697=30, 3.0/6679=29...(16) HA GLU 37 + H GLU 44 OK 33 99 - 33 - 6686/4.6=8, 6719/4.6=4...(10) HA3 GLY 100 + H GLU 44 OK 25 90 - 28 - 3.6/6716=6, 6686/4.6=4...(9) Peak 6704 from nnoeabs.peaks (8.19, 7.60, 120.47 ppm; 3.32 A): 3 out of 4 assignments used, quality = 0.85: * H GLU 43 + H GLU 44 OK 76 100 - 76 - 4.6=37, 4.0/1976=13...(14) H ASP 36 + H GLU 44 OK 24 96 - 26 - 1970/4.4=4, 6557/3.6=4...(10) H LYS 68 + H GLU 44 OK 17 97 - 18 - 1962/4.4=2, 7116/6679=2...(8) H PHE 96 - H GLU 44 lone 2 61 - 4 - Peak 6705 from nnoeabs.peaks (3.88, 7.60, 120.47 ppm; 3.36 A): 2 out of 11 assignments used, quality = 0.95: * HA GLU 43 + H GLU 44 OK 93 100 - 93 - 3.6=83, 2.9/6697=20...(11) HA GLU 35 + H GLU 44 OK 31 99 - 32 - 1957=6, 3.6/6704=4...(9) HA LYS 94 - H GLU 44 OK 16 70 - 24 - 3.0/6715=6, 4182/3.0=3...(11) HA LEU 38 - H GLU 44 OK 16 94 - 18 - 1971/4.4=3, 1963/4.4=3...(5) HA LYS 40 - H GLU 44 OK 15 65 - 23 - 4.8/1879=9, 1779/4.6=3...(6) HA ARG 91 - H GLU 44 OK 13 99 - 13 - 1957=3, 1963/4.4=1...(5) HA3 GLY 101 - H GLU 44 OK 10 92 - 11 - 3.0/6716=3, 11029/4.6=3 HA2 GLY 100 - H GLU 44 poor 7 70 - 10 - 1.8/6703=3, 3.6/6716=3 HA2 GLY 101 - H GLU 44 lone 5 70 - 7 - 3.0/6716=3 HA ALA 89 - H GLU 44 lone 2 65 - 3 - HB2 SER 102 - H GLU 44 lone 1 90 - 1 - Peak 6706 from nnoeabs.peaks (1.91, 7.60, 120.47 ppm; 3.51 A): 5 out of 12 assignments used, quality = 0.93: * HB2 GLU 43 + H GLU 44 OK 80 100 - 80 - 4.4=51, 1.8/1976=26...(8) HG LEU 42 + H GLU 44 OK 32 92 - 35 - 4.9/6679=10, 4.3/6703=7...(9) HB3 LYS 47 + H GLU 44 OK 30 65 - 47 - ~1999=7, 2000/3.0=7...(15) HB2 LYS 94 + H GLU 44 OK 17 73 - 24 - 4.0/6715=5, 3.0/6700=4...(8) HB3 LEU 14 + H GLU 44 OK 11 99 - 11 - 3.1/8975=2, 3.0/8973=1 HB ILE 8 - H GLU 44 lone 8 90 - 9 - 3.2/8975=2, 1972/4.4=1 HB3 LYS 13 - H GLU 44 lone 5 96 - 5 - HB2 LYS 13 - H GLU 44 lone 4 92 - 5 - HB2 LYS 20 - H GLU 44 lone 3 70 - 5 - HB3 LYS 33 - H GLU 44 lone 2 94 - 2 - HB2 ARG 19 - H GLU 44 lone 2 81 - 3 - HB2 LYS 33 - H GLU 44 lone 2 90 - 2 - Peak 6707 from nnoeabs.peaks (2.06, 7.60, 120.47 ppm; 3.31 A): 4 out of 10 assignments used, quality = 0.84: * HB3 GLU 43 + H GLU 44 OK 72 100 - 72 - 4.4=43, 1.8/1968=17...(7) HB2 MET 74 + H GLU 44 OK 18 100 - 18 - 4.2/9589=9, 3340/3.9=2...(5) HB3 GLU 35 + H GLU 44 OK 18 73 - 25 - 1.8/6711=4, 3.0/6705=4...(8) HB3 LEU 38 + H GLU 44 OK 14 96 - 15 - 1965/4.4=4, 1635/3.6=3...(4) HB2 GLU 16 - H GLU 44 lone 8 90 - 9 - 4.0/6716=3, 3.0/6714=2 HB3 GLU 48 - H GLU 44 lone 6 70 - 8 - 3.0/6709=2, 3.0/2223=1 HB3 GLU 88 - H GLU 44 lone 3 84 - 4 - HG2 GLU 28 - H GLU 44 lone 1 100 - 1 - HG3 GLU 28 - H GLU 44 lone 1 100 - 1 - HB2 MET 21 - H GLU 44 lone 1 81 - 1 - Peak 6708 from nnoeabs.peaks (2.19, 7.60, 120.47 ppm; 4.79 A): 3 out of 11 assignments used, quality = 0.95: * HG2 GLU 43 + H GLU 44 OK 82 100 - 82 - 3.0/1976=30, 3.0/1968=26...(8) HG3 GLU 35 + H GLU 44 OK 48 96 - 51 - 1974/4.4=8, 1983=8...(12) HG2 GLU 35 + H GLU 44 OK 48 96 - 51 - 1974/4.4=8, 1983=8...(12) HG2 MET 1 - H GLU 44 OK 15 92 - 15 - 25/3.9=2, 25/3.9=2...(6) HB2 GLU 63 - H GLU 44 poor 10 94 - 10 - 6695/4.6=1, 2773/1879=1 HG3 PRO 86 - H GLU 44 lone 6 97 - 6 - HB3 GLU 75 - H GLU 44 lone 6 100 - 6 - HB2 GLU 95 - H GLU 44 lone 4 73 - 5 - HG3 GLU 75 - H GLU 44 lone 3 81 - 4 - HB3 GLN 50 - H GLU 44 lone 3 81 - 3 - HG2 GLU 75 - H GLU 44 lone 3 73 - 3 - Peak 6709 from nnoeabs.peaks (2.32, 7.60, 120.47 ppm; 4.07 A): 5 out of 6 assignments used, quality = 0.93: * HG3 GLU 43 + H GLU 44 OK 74 100 - 74 - 3.0/1976=25, 3.0/1968=20...(10) HB2 TYR 41 + H GLU 44 OK 60 96 - 63 - 3.0/1879=20, 4.1/6679=17...(12) HG3 GLU 69 + H GLU 44 OK 17 65 - 26 - 1.8/2017=6, 3.0/6713=5...(6) HG2 GLU 48 + H GLU 44 OK 15 90 - 17 - 1967/4.4=2, 1975/4.4=2...(9) HG2 GLU 16 + H GLU 44 OK 11 73 - 15 - 5.1/6716=4, 3.0/6707=2...(5) HD3 ARG 81 - H GLU 44 lone 4 81 - 5 - Peak 6710 from nnoeabs.peaks (3.94, 7.60, 120.47 ppm; 3.17 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 44 + H GLU 44 OK 100 100 - 100 - 3.0=100 HA TYR 41 + H GLU 44 OK 50 92 - 54 - 1879=13, 3.6/6679=11...(16) HB3 SER 9 - H GLU 44 lone 9 90 - 9 - 4.6/6121=1, 1.8/8976=1 HB2 SER 97 - H GLU 44 lone 3 84 - 4 - Peak 6711 from nnoeabs.peaks (2.00, 7.60, 120.47 ppm; 2.75 A): 3 out of 7 assignments used, quality = 0.94: * HB2 GLU 44 + H GLU 44 OK 72 100 - 72 - 3.9=34, 1.8/2002=11...(18) HB3 GLU 44 + H GLU 44 OK 72 100 - 72 - 3.9=34, 1.8/2002=11...(18) QE MET 74 + H GLU 44 OK 26 100 - 26 - 9589=7, 9585/4.6=5...(8) HB2 GLU 35 - H GLU 44 OK 18 97 - 19 - 1535/3.6=3, 1.8/6707=3...(8) HB3 MET 1 - H GLU 44 lone 4 100 - 4 - HB3 GLU 17 - H GLU 44 lone 4 98 - 4 - HB2 GLU 62 - H GLU 44 lone 1 77 - 1 - Peak 6712 from nnoeabs.peaks (2.00, 7.60, 120.47 ppm; 2.75 A): 3 out of 7 assignments used, quality = 0.94: HB2 GLU 44 + H GLU 44 OK 72 100 - 72 - 3.9=34, 1.8/2002=11...(18) * HB3 GLU 44 + H GLU 44 OK 72 100 - 72 - 3.9=34, 1.8/2002=11...(18) QE MET 74 + H GLU 44 OK 26 100 - 26 - 9589=7, 9585/4.6=5...(8) HB2 GLU 35 - H GLU 44 OK 18 97 - 19 - 1535/3.6=3, 1.8/6707=3...(8) HB3 MET 1 - H GLU 44 lone 4 100 - 4 - HB3 GLU 17 - H GLU 44 lone 4 98 - 4 - HB2 GLU 62 - H GLU 44 lone 1 77 - 1 - Peak 6713 from nnoeabs.peaks (2.13, 7.60, 120.47 ppm; 3.74 A): 3 out of 10 assignments used, quality = 0.94: * HG2 GLU 44 + H GLU 44 OK 88 100 - 88 - 4.8=48, 1.8/2024=28...(17) HG2 GLU 69 + H GLU 44 OK 30 96 - 31 - 1.8/6714=8, 2017=6...(11) HB3 GLU 69 + H GLU 44 OK 30 96 - 31 - 3.0/6714=6, 4.6/6702=5...(11) HB2 GLU 69 - H GLU 44 OK 30 96 - 31 - 3.0/6714=6, 4.6/6702=5...(11) HB3 GLU 37 - H GLU 44 OK 10 94 - 11 - 3.0/6703=5, 1995/3.0=1 HG2 GLU 88 - H GLU 44 lone 4 97 - 4 - HB2 GLU 75 - H GLU 44 lone 3 100 - 3 - HB2 PRO 86 - H GLU 44 lone 2 77 - 3 - HB3 GLU 23 - H GLU 44 lone 1 61 - 2 - HG2 GLU 104 - H GLU 44 lone 1 84 - 1 - Peak 6714 from nnoeabs.peaks (2.35, 7.60, 120.47 ppm; 3.74 A): 2 out of 3 assignments used, quality = 0.90: * HG3 GLU 44 + H GLU 44 OK 86 100 - 86 - 4.8=48, 1996/3.0=21...(15) HG3 GLU 69 + H GLU 44 OK 27 84 - 32 - 1996/3.0=7, 1.8/6713=6...(12) HG2 GLU 16 - H GLU 44 poor 9 77 - 11 - 5.1/6716=3, 3.0/6707=2 Peak 6715 from nnoeabs.peaks (8.26, 7.60, 120.47 ppm; 3.23 A): 3 out of 5 assignments used, quality = 0.82: * H PHE 45 + H GLU 44 OK 62 100 - 62 - 4.6=34, 4.7/2010=6...(14) H ALA 71 + H GLU 44 OK 35 100 - 35 - 6722=11, 1997/3.0=4...(12) H LYS 94 + H GLU 44 OK 29 99 - 29 - 7502/3.6=5, 6698/4.6=4...(12) H LEU 27 - H GLU 44 lone 3 61 - 4 - H GLU 23 - H GLU 44 lone 3 73 - 3 - Peak 6716 from nnoeabs.peaks (8.02, 7.60, 120.47 ppm; 4.81 A): 3 out of 3 assignments used, quality = 0.82: * H ARG 46 + H GLU 44 OK 66 100 - 67 - 6739=24, 4.6/6722=18...(11) H GLU 16 + H GLU 44 OK 29 97 - 29 - 6734/4.6=5, 6739=5...(9) H GLY 101 + H GLU 44 OK 23 100 - 23 - 3.6/6703=6, 6734/4.6=4...(6) Peak 6717 from nnoeabs.peaks (8.26, 8.26, 119.27 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H PHE 45 + H PHE 45 OK 100 100 - 100 H ALA 71 + H ALA 71 OK 71 71 - 100 Peak 6718 from nnoeabs.peaks (3.93, 8.26, 119.27 ppm; 3.82 A): 2 out of 8 assignments used, quality = 0.96: HA GLU 44 + H PHE 45 OK 92 92 - 100 - 3.6=100 * HA TYR 41 + H PHE 45 OK 50 100 - 50 - 10584=13, 1879/4.6=12...(11) HA GLU 44 - H ALA 71 OK 20 60 - 34 - 3.0/6715=9, 1997=6...(8) HA TYR 41 - H ALA 71 OK 18 71 - 26 - 10584=7, 1878/4.6=5...(6) HB3 SER 9 - H PHE 45 lone 9 100 - 9 - 1.8/6729=2, 6740/4.6=2...(4) HB3 SER 9 - H ALA 71 lone 4 71 - 5 - HA GLU 63 - H PHE 45 lone 2 84 - 3 - HA GLU 63 - H ALA 71 lone 2 53 - 4 - 10751/4.6=1 Peak 6719 from nnoeabs.peaks (3.70, 8.26, 119.27 ppm; 4.04 A): 4 out of 6 assignments used, quality = 0.86: * HA LEU 42 + H PHE 45 OK 68 100 - 68 - 1906=17, 1907/3.7=12...(15) HA LEU 42 + H ALA 71 OK 32 71 - 45 - 1906=12, 3.6/6698=7...(13) HA3 GLY 100 + H PHE 45 OK 21 90 - 24 - 3.6/6734=4, 6737/4.6=4...(6) HA GLU 37 + H PHE 45 OK 20 99 - 20 - 6703/4.6=4, 2048/3.7=4...(5) HA GLU 37 - H ALA 71 lone 7 69 - 9 - ~10828=1 HA3 GLY 100 - H ALA 71 lone 3 58 - 6 - Peak 6720 from nnoeabs.peaks (8.19, 8.26, 119.27 ppm; 4.99 A): 6 out of 8 assignments used, quality = 0.93: * H GLU 43 + H PHE 45 OK 69 100 - 69 - 6697/4.6=25, 6698=19...(12) H GLU 43 + H ALA 71 OK 37 71 - 52 - 6698=14, 6685/4.6=12...(11) H LYS 68 + H ALA 71 OK 36 65 - 55 - 7116/4.6=16...(9) H LYS 68 + H PHE 45 OK 21 97 - 22 - 6704/4.6=5, 2.9/12163=4...(6) H ASP 36 + H PHE 45 OK 19 96 - 20 - 6704/4.6=7, 3.6/6721=2...(7) H PHE 96 + H PHE 45 OK 11 61 - 18 - 3.0/6728=5, 4.5/7528=4...(4) H ASP 36 - H ALA 71 poor 9 64 - 15 - 7141/4.6=3, 3.6/4021=1...(4) H PHE 96 - H ALA 71 poor 7 36 - 19 - 4.5/7528=8, 3.6/7158=3...(5) Peak 6721 from nnoeabs.peaks (3.88, 8.26, 119.27 ppm; 4.10 A): 11 out of 22 assignments used, quality = 0.91: * HA GLU 43 + H PHE 45 OK 41 100 - 41 - 3.6/6722=18, 2.9/6698=12...(6) HA LYS 94 + H PHE 45 OK 24 70 - 34 - 3.0/4197=4, 4170=4...(11) HA ARG 91 + H PHE 45 OK 22 99 - 22 - 3.0/10980=5, 1958/4.6=4...(5) HA GLU 43 + H ALA 71 OK 21 71 - 29 - 3.6/6715=9, 2.9/6698=9...(4) HA LYS 94 + H ALA 71 OK 21 42 - 49 - 3.0/4197=8, 3.6/7528=7...(13) HA3 GLY 101 + H PHE 45 OK 19 92 - 20 - 11029=6, 3.0/6734=5...(5) HA GLU 35 + H PHE 45 OK 16 99 - 16 - 1957/4.6=4, 4021=3...(5) HA2 GLY 101 + H PHE 45 OK 13 70 - 18 - 1.8/11029=7, 3.0/6734=5...(4) HA LYS 40 + H PHE 45 OK 11 65 - 17 - 4.8/10584=9, 6705/4.6=2 HA2 GLY 100 + H PHE 45 OK 11 70 - 15 - 1.8/6719=5, 3.6/6734=4 HA ARG 91 + H ALA 71 OK 10 68 - 15 - 3.0/10980=4, 3.6/7473=3, 4021=3 HA LEU 38 - H PHE 45 lone 7 94 - 8 - 6705/4.6=2, 6738/4.6=1 HA LYS 40 - H ALA 71 poor 7 39 - 19 - 4.8/10584=5, 10817/3.6=4 HA GLU 35 - H ALA 71 poor 7 69 - 11 - 4021=2 HA ALA 89 - H PHE 45 lone 5 65 - 7 - 4.8/10979=3 HA LEU 38 - H ALA 71 lone 5 62 - 8 - 10817/3.6=1 HA3 GLY 101 - H ALA 71 lone 4 60 - 6 - 11029=2 HA2 GLY 101 - H ALA 71 lone 3 42 - 7 - 1.8/11029=2 HA ALA 89 - H ALA 71 lone 3 39 - 7 - 4.8/10979=2 HA2 GLY 100 - H ALA 71 lone 2 42 - 6 - HB2 SER 102 - H PHE 45 lone 2 90 - 2 - HB2 SER 102 - H ALA 71 lone 1 58 - 1 - Peak 6722 from nnoeabs.peaks (7.60, 8.26, 119.27 ppm; 3.23 A): 3 out of 6 assignments used, quality = 0.77: * H GLU 44 + H PHE 45 OK 61 100 - 61 - 4.6=34, 2002/4.7=6...(14) H GLU 44 + H ALA 71 OK 25 71 - 36 - 6715=13, 3.0/1997=4...(11) H GLU 48 + H PHE 45 OK 19 81 - 24 - 10190/3.0=6, 4.6/6759=4...(5) HD22 ASN 10 - H PHE 45 lone 4 99 - 4 - 1991/3.6=1 H GLU 48 - H ALA 71 lone 3 50 - 6 - 4.6/6759=1 HD22 ASN 10 - H ALA 71 lone 1 69 - 1 - Peak 6723 from nnoeabs.peaks (3.94, 8.26, 119.27 ppm; 3.82 A): 1 out of 8 assignments used, quality = 1.00: * HA GLU 44 + H PHE 45 OK 100 100 - 100 - 3.6=100 HA TYR 41 - H PHE 45 OK 42 92 - 46 - 10584=11, 1879/4.6=10...(11) HA GLU 44 - H ALA 71 OK 25 71 - 35 - 3.0/6715=9, 1997=7...(7) HA TYR 41 - H ALA 71 OK 14 60 - 23 - 10584=6, 1878/4.6=4...(6) HB3 SER 9 - H PHE 45 lone 8 90 - 9 - 6740/4.6=2, 1.8/6729=2 HB2 SER 97 - H PHE 45 lone 4 84 - 5 - 4182/4170=1 HB2 SER 97 - H ALA 71 lone 3 53 - 6 - 4182/4170=2 HB3 SER 9 - H ALA 71 lone 3 58 - 4 - Peak 6724 from nnoeabs.peaks (2.00, 8.26, 119.27 ppm; 3.16 A): 6 out of 14 assignments used, quality = 0.92: * HB2 GLU 44 + H PHE 45 OK 57 100 - 57 - 4.7=31, 3.9/6722=9...(8) HB3 GLU 44 + H PHE 45 OK 57 100 - 57 - 4.7=31, 3.9/6722=9...(8) QE MET 74 + H ALA 71 OK 24 71 - 35 - 12193/4.1=6, 10282/3.6=6...(12) HB2 GLU 44 + H ALA 71 OK 20 71 - 29 - 3.9/6715=5, 2008=5...(10) HB3 GLU 44 + H ALA 71 OK 20 71 - 29 - 3.9/6715=5, 2008=5...(10) QE MET 74 + H PHE 45 OK 17 100 - 17 - 9589/4.6=7, 1994/3.6=2 HB2 GLU 35 - H PHE 45 lone 7 97 - 7 - 6712/4.6=1, 3.0/6721=1 HB2 GLU 35 - H ALA 71 lone 5 65 - 7 - 10276/4.1=2, 10274/4.1=1 HB3 GLU 17 - H PHE 45 lone 4 98 - 4 - HB3 MET 1 - H PHE 45 lone 2 100 - 2 - HB3 GLU 17 - H ALA 71 lone 2 67 - 3 - HB3 MET 1 - H ALA 71 lone 1 71 - 2 - HB2 GLU 62 - H PHE 45 lone 1 77 - 1 - HB2 GLU 62 - H ALA 71 lone 1 47 - 2 - Peak 6725 from nnoeabs.peaks (2.00, 8.26, 119.27 ppm; 3.16 A): 6 out of 14 assignments used, quality = 0.92: HB2 GLU 44 + H PHE 45 OK 57 100 - 57 - 4.7=31, 3.9/6722=9...(8) * HB3 GLU 44 + H PHE 45 OK 57 100 - 57 - 4.7=31, 3.9/6722=9...(8) QE MET 74 + H ALA 71 OK 24 71 - 35 - 12193/4.1=6, 10282/3.6=6...(12) HB2 GLU 44 + H ALA 71 OK 20 71 - 29 - 3.9/6715=5, 2008=5...(10) HB3 GLU 44 + H ALA 71 OK 20 71 - 29 - 3.9/6715=5, 2008=5...(10) QE MET 74 + H PHE 45 OK 17 100 - 17 - 9589/4.6=7, 1994/3.6=2 HB2 GLU 35 - H PHE 45 lone 7 97 - 7 - 6712/4.6=1, 3.0/6721=1 HB2 GLU 35 - H ALA 71 lone 5 65 - 7 - 10276/4.1=2, 10274/4.1=1 HB3 GLU 17 - H PHE 45 lone 4 98 - 4 - HB3 MET 1 - H PHE 45 lone 2 100 - 2 - HB3 GLU 17 - H ALA 71 lone 2 67 - 3 - HB3 MET 1 - H ALA 71 lone 1 71 - 2 - HB2 GLU 62 - H PHE 45 lone 1 77 - 1 - HB2 GLU 62 - H ALA 71 lone 1 47 - 2 - Peak 6726 from nnoeabs.peaks (2.13, 8.26, 119.27 ppm; 4.35 A): 6 out of 20 assignments used, quality = 0.95: * HG2 GLU 44 + H PHE 45 OK 67 100 - 67 - 2018/3.6=18, 4.8/6722=14...(10) HG2 GLU 44 + H ALA 71 OK 32 71 - 45 - 1.8/2030=9, 2023=9...(10) HG2 GLU 69 + H PHE 45 OK 31 96 - 33 - 1995/3.6=5, 2023=5...(10) HB3 GLU 69 + H ALA 71 OK 31 64 - 48 - 3.0/10806=14...(11) HB2 GLU 69 + H ALA 71 OK 31 64 - 48 - 3.0/10806=14...(11) HB3 GLU 69 + H PHE 45 OK 31 96 - 32 - 4.6/7155=6, 3.0/10806=6...(10) HB2 GLU 69 - H PHE 45 OK 31 96 - 32 - 4.6/7155=6, 3.0/10806=6...(10) HG2 GLU 69 - H ALA 71 OK 27 64 - 42 - 3116/4.6=12...(9) HB2 GLU 75 - H ALA 71 OK 17 71 - 23 - ~9616=11, ~10832=5...(6) HB3 GLU 37 - H PHE 45 OK 11 94 - 11 - 3.0/6719=5, 1595/6719=2...(4) HB3 GLU 37 - H ALA 71 poor 7 62 - 11 - 10816/3.6=2, 10277/4.1=2...(4) HB2 PRO 86 - H ALA 71 poor 5 47 - 11 - 10816/3.6=2, 7145/4.6=2...(5) HG2 GLU 88 - H PHE 45 lone 4 97 - 4 - HB2 PRO 86 - H PHE 45 lone 4 77 - 5 - HB2 GLU 75 - H PHE 45 lone 3 100 - 3 - HB3 GLU 23 - H PHE 45 lone 3 61 - 4 - HB3 GLU 23 - H ALA 71 lone 2 36 - 6 - HG2 GLU 88 - H ALA 71 lone 2 65 - 3 - HG2 GLU 104 - H PHE 45 lone 2 84 - 2 - HG2 GLU 104 - H ALA 71 lone 1 53 - 3 - Peak 6727 from nnoeabs.peaks (2.35, 8.26, 119.27 ppm; 5.07 A): 5 out of 6 assignments used, quality = 0.95: * HG3 GLU 44 + H PHE 45 OK 81 100 - 81 - 1996/3.6=30, 2024/4.6=26...(12) HG3 GLU 44 + H ALA 71 OK 40 71 - 57 - 2030=15, 10185/4.1=11...(10) HG3 GLU 69 + H PHE 45 OK 34 84 - 40 - 1996/3.6=9, 6714/4.6=7...(11) HG3 GLU 69 + H ALA 71 OK 23 53 - 44 - 4.1/10806=15...(8) HG2 GLU 16 + H PHE 45 OK 14 77 - 18 - 5.1/6734=5, 711/4.6=3...(6) HG2 GLU 16 - H ALA 71 poor 5 47 - 11 - 3123/4.6=2, 3117/4.6=2 Peak 6728 from nnoeabs.peaks (4.52, 8.26, 119.27 ppm; 3.70 A): 1 out of 6 assignments used, quality = 1.00: * HA PHE 45 + H PHE 45 OK 100 100 - 100 - 3.0=100 HA PHE 45 - H ALA 71 OK 20 71 - 29 - 2031=8, 3.6/6741=4...(8) HA PHE 96 - H PHE 45 OK 18 96 - 18 - 2050/3.7=3, 2041/3.7=3...(7) HA LYS 33 - H PHE 45 poor 10 81 - 12 - 2041/3.7=2, 2050/3.7=2...(4) HA PHE 96 - H ALA 71 lone 3 64 - 5 - 3.0/7548=3 HA LYS 33 - H ALA 71 lone 1 50 - 2 - Peak 6729 from nnoeabs.peaks (2.98, 8.26, 119.27 ppm; 3.19 A): 5 out of 14 assignments used, quality = 0.92: * HB2 PHE 45 + H PHE 45 OK 74 100 - 74 - 3.7=63, 4.5/6741=7...(8) HB3 PHE 45 + H PHE 45 OK 54 73 - 74 - 3.7=63, 4.5/6741=7...(9) HB2 PHE 45 + H ALA 71 OK 13 71 - 18 - 3.0/2031=4, 2040=3...(6) HE2 LYS 47 + H PHE 45 OK 12 94 - 13 - 6.6/6759=2, 8977/3.6=2...(6) HE3 LYS 47 + H PHE 45 OK 12 94 - 13 - 6.6/6759=2, 8977/3.6=2...(6) HB3 PHE 45 - H ALA 71 poor 7 45 - 16 - 3.0/2031=4, 1.8/2040=3...(6) HB2 SER 9 - H PHE 45 lone 7 96 - 7 - 1.8/6718=1 HB2 SER 9 - H ALA 71 lone 2 64 - 3 - HB3 ASP 11 - H PHE 45 lone 2 90 - 2 - HE3 LYS 47 - H ALA 71 lone 2 62 - 3 - HE2 LYS 47 - H ALA 71 lone 2 62 - 3 - HE3 LYS 12 - H ALA 71 lone 1 39 - 3 - HE3 LYS 12 - H PHE 45 lone 1 65 - 2 - HB3 ASP 11 - H ALA 71 lone 1 58 - 1 - Peak 6730 from nnoeabs.peaks (2.97, 8.26, 119.27 ppm; 3.24 A): 5 out of 20 assignments used, quality = 0.93: * HB3 PHE 45 + H PHE 45 OK 77 100 - 77 - 3.7=67, 4.5/6741=8...(8) HB2 PHE 45 + H PHE 45 OK 56 73 - 76 - 3.7=67, 4.5/6741=8...(8) HE2 LYS 47 + H PHE 45 OK 13 97 - 14 - 8977/3.6=4, 6.6/6759=2...(6) HE3 LYS 47 + H PHE 45 OK 13 97 - 14 - 8977/3.6=4, 6.6/6759=2...(6) HB3 PHE 45 + H ALA 71 OK 13 71 - 19 - 3.0/2031=4, 1.8/2040=4...(6) HB2 PHE 45 - H ALA 71 poor 8 45 - 17 - 3.0/2031=4, 1.8/2049=3...(6) HE3 LYS 24 - H PHE 45 lone 4 99 - 4 - HE2 LYS 24 - H PHE 45 lone 4 99 - 4 - HE2 LYS 13 - H PHE 45 lone 3 97 - 3 - HE3 LYS 13 - H PHE 45 lone 3 94 - 3 - HE3 LYS 12 - H PHE 45 lone 3 100 - 3 - HE3 LYS 12 - H ALA 71 lone 3 71 - 4 - HE2 LYS 47 - H ALA 71 lone 2 65 - 3 - HE3 LYS 47 - H ALA 71 lone 2 65 - 3 - HE2 LYS 24 - H ALA 71 lone 2 68 - 2 - HE3 LYS 24 - H ALA 71 lone 2 68 - 2 - HE2 LYS 73 - H PHE 45 lone 1 73 - 2 - HE2 LYS 13 - H ALA 71 lone 1 65 - 1 - HE2 LYS 73 - H ALA 71 lone 1 45 - 2 - 7.0/10856=1 HE3 LYS 13 - H ALA 71 lone 1 62 - 1 - Peak 6731 from nnoeabs.peaks (6.66, 8.26, 119.27 ppm; 3.85 A): 2 out of 4 assignments used, quality = 0.94: * HD1 PHE 45 + H PHE 45 OK 75 100 - 75 - 5.5=34, 2035/3.0=17...(18) HD2 PHE 45 + H PHE 45 OK 74 100 - 74 - 5.6=32, 2035/3.0=17...(18) HD1 PHE 45 - H ALA 71 OK 16 71 - 23 - 4.2/2031=4, 3.7/2040=4...(8) HD2 PHE 45 - H ALA 71 OK 16 71 - 23 - 3.7/2040=4, 4.2/2031=4...(8) Peak 6732 from nnoeabs.peaks (6.51, 8.26, 119.27 ppm; 5.42 A): 2 out of 4 assignments used, quality = 0.96: * HE1 PHE 45 + H PHE 45 OK 81 100 - 81 - 7.5=37, 2.5/6731=20...(9) HE2 PHE 45 + H PHE 45 OK 81 100 - 81 - 7.5=37, 2.5/6731=20...(9) HE2 PHE 45 - H ALA 71 OK 18 71 - 25 - 5.4/2040=6, 5.4/2049=6...(6) HE1 PHE 45 - H ALA 71 OK 18 71 - 25 - 5.4/2040=6, 5.4/2049=6...(6) Peak 6734 from nnoeabs.peaks (8.02, 8.26, 119.27 ppm; 3.40 A): 4 out of 6 assignments used, quality = 0.81: * H ARG 46 + H PHE 45 OK 64 100 - 64 - 4.6=40, 6740/3.6=8...(12) H GLU 16 + H PHE 45 OK 21 97 - 22 - 6741=5, 2038/3.0=3...(6) H GLY 101 + H PHE 45 OK 18 100 - 18 - 3.0/11029=4, 3.6/6719=3...(7) H ARG 46 + H ALA 71 OK 17 71 - 24 - 6741=8, 3.6/2031=4...(6) H GLU 16 - H ALA 71 lone 6 65 - 10 - 6741=2, 6225/3.0=1, 6231/4.1=1 H GLY 101 - H ALA 71 lone 3 71 - 5 - 3.0/11029=1 Peak 6735 from nnoeabs.peaks (7.47, 8.26, 119.27 ppm; 5.04 A): 5 out of 12 assignments used, quality = 0.92: * H LYS 47 + H PHE 45 OK 77 100 - 77 - 6760/3.0=25, 1998/3.6=24...(13) H ARG 91 + H PHE 45 OK 36 100 - 36 - 10980=11, 3.6/10979=6...(7) HE ARG 46 + H PHE 45 OK 20 100 - 20 - 6755/4.6=11, 1998/3.6=6 H LYS 47 + H ALA 71 OK 19 71 - 27 - 6759=7, 4.6/6741=6...(9) H ARG 91 + H ALA 71 OK 18 71 - 26 - 10980=8, 3.6/10979=5...(7) HD22 ASN 26 - H PHE 45 lone 6 99 - 6 - 1998/3.6=1 HE ARG 46 - H ALA 71 lone 6 71 - 8 - 6.8/6741=3, ~9016=1 HD22 ASN 26 - H ALA 71 lone 5 69 - 7 - 5.5/6419=1 HZ2 TRP 92 - H PHE 45 lone 3 61 - 4 - 8.7/7473=1 HE ARG 19 - H PHE 45 lone 2 57 - 3 - HZ2 TRP 92 - H ALA 71 lone 2 36 - 4 - 8.7/7473=1 HE ARG 19 - H ALA 71 lone 1 34 - 3 - Peak 6736 from nnoeabs.peaks (8.02, 8.02, 118.14 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * H ARG 46 + H ARG 46 OK 100 100 - 100 H GLU 16 - H GLU 16 OK 43 43 - 100 Peak 6737 from nnoeabs.peaks (3.70, 8.02, 118.14 ppm; 4.86 A): 3 out of 6 assignments used, quality = 0.74: * HA LEU 42 + H ARG 46 OK 52 100 - 52 - 1907/4.5=15, 2048/4.5=14...(12) HA3 GLY 100 + H ARG 46 OK 27 90 - 31 - 4442=8, 2048/4.5=5...(8) HA GLU 37 + H ARG 46 OK 25 99 - 25 - 2048/4.5=5, 2039/4.5=5...(7) HA LEU 42 - H GLU 16 poor 9 48 - 20 - 10602/4.6=5, 10602/4.6=3...(7) HA3 GLY 100 - H GLU 16 lone 4 38 - 10 - 4442=3, 1.8/4438=2, 2.9/7627=2 HA GLU 37 - H GLU 16 lone 2 46 - 5 - Peak 6738 from nnoeabs.peaks (3.88, 8.02, 118.14 ppm; 3.94 A): 8 out of 22 assignments used, quality = 0.92: * HA GLU 43 + H ARG 46 OK 45 100 - 46 - 3.6/6739=11, 1958=10...(12) HA ARG 91 + H ARG 46 OK 40 99 - 41 - 1958=9, 3.0/6755=5...(12) HA3 GLY 101 + H ARG 46 OK 35 92 - 38 - 4447=7, 1.8/4443=5...(13) HA2 GLY 101 + H ARG 46 OK 25 70 - 36 - 1.8/4447=8, 10174/3.0=4...(13) HA LEU 38 + H ARG 46 OK 17 94 - 19 - 2066/4.0=3, 2076/4.0=3...(8) HA GLU 35 + H ARG 46 OK 17 99 - 17 - 1958=4, 10174/3.0=2...(6) HA2 GLY 100 + H ARG 46 OK 14 70 - 21 - 1.8/6737=6, 2.9/7627=3...(8) HA LYS 40 + H ARG 46 OK 11 65 - 17 - 4.8/6740=4, 12084/6.3=3...(6) HA LYS 94 - H ARG 46 poor 10 70 - 14 - 3.0/6741=4, 6721/4.6=2...(4) HA GLU 43 - H GLU 16 poor 9 48 - 18 - 3.6/6716=5, 1958=5 HA3 GLY 101 - H GLU 16 poor 8 39 - 20 - 3.6/7636=6, 4447=4...(6) HA GLU 35 - H GLU 16 poor 6 46 - 12 - 1958=3, 3.0/696=2, 1542/4.0=1 HB2 SER 102 - H ARG 46 lone 5 90 - 6 - 4.0/7636=3 HA2 GLY 101 - H GLU 16 poor 5 27 - 19 - 3.6/7636=6, 1.8/4447=4...(4) HA LEU 38 - H GLU 16 poor 5 41 - 12 - 1622/4.6=2, 1618/4.0=1 HA ARG 91 - H GLU 16 lone 4 45 - 10 - 1958=2 HA ALA 89 - H ARG 46 lone 4 65 - 6 - HB2 SER 102 - H GLU 16 lone 3 38 - 8 - 4.0/7636=5 HA2 GLY 100 - H GLU 16 lone 2 27 - 8 - 1.8/4442=2, 2.9/7627=1, 4438=1 HA LYS 40 - H GLU 16 lone 1 25 - 5 - HA LYS 94 - H GLU 16 lone 1 27 - 4 - HA ALA 89 - H GLU 16 lone 1 25 - 3 - Peak 6739 from nnoeabs.peaks (7.60, 8.02, 118.14 ppm; 4.21 A): 3 out of 6 assignments used, quality = 0.75: * H GLU 44 + H ARG 46 OK 55 100 - 56 - 6716=19, 6722/4.6=14...(9) H GLU 48 + H ARG 46 OK 36 81 - 45 - 4.6/6761=16, 10190/3.6=9...(13) H GLU 44 + H GLU 16 OK 11 48 - 24 - 6716=8, 4.6/6734=4...(6) H GLU 48 - H GLU 16 poor 7 32 - 21 - 4.6/6761=5, 6793/5.1=4...(5) HD22 ASN 10 - H ARG 46 lone 4 99 - 4 - 6722/4.6=1 HD22 ASN 10 - H GLU 16 lone 1 46 - 2 - Peak 6740 from nnoeabs.peaks (3.94, 8.02, 118.14 ppm; 4.53 A): 3 out of 8 assignments used, quality = 0.71: * HA GLU 44 + H ARG 46 OK 56 100 - 56 - 3.6/6741=19, 3.0/6739=17...(10) HA TYR 41 + H ARG 46 OK 25 92 - 27 - 10584/4.6=9, 6758/4.6=5...(7) HB3 SER 9 + H ARG 46 OK 13 90 - 15 - 6758/4.6=4, 1.8/6743=3...(5) HA GLU 44 - H GLU 16 poor 10 48 - 20 - 3.0/6716=7, 3.6/6734=6...(4) HB3 SER 9 - H GLU 16 poor 4 38 - 11 - 10417/684=3, ~12230=3 HA TYR 41 - H GLU 16 lone 3 39 - 8 - 1879/6716=2 HB2 SER 97 - H ARG 46 lone 3 84 - 3 - HB2 SER 97 - H GLU 16 lone 1 34 - 2 - Peak 6741 from nnoeabs.peaks (8.26, 8.02, 118.14 ppm; 3.35 A): 4 out of 10 assignments used, quality = 0.78: * H PHE 45 + H ARG 46 OK 62 100 - 62 - 4.6=38, 3.6/6740=7...(11) H ALA 71 + H ARG 46 OK 20 100 - 21 - 6734=6, 2031/3.6=4...(6) H LYS 94 + H ARG 46 OK 16 99 - 16 - 6759/4.6=3, 2031/3.6=2...(4) H PHE 45 + H GLU 16 OK 11 48 - 24 - 6734=8, 3.0/2038=3...(6) H ALA 71 - H GLU 16 lone 4 48 - 9 - 6734=2, 7162/4.4=2, 7160/4.5=1 H GLU 23 - H GLU 16 poor 3 29 - 10 - 855/3.0=4, 6366/4.0=1...(4) H GLU 23 - H ARG 46 lone 3 73 - 4 - H LYS 94 - H GLU 16 lone 2 46 - 4 - H LEU 27 - H ARG 46 lone 1 61 - 2 - H LEU 27 - H GLU 16 lone 0 23 - 1 - Peak 6742 from nnoeabs.peaks (4.52, 8.02, 118.14 ppm; 4.28 A): 1 out of 6 assignments used, quality = 1.00: * HA PHE 45 + H ARG 46 OK 100 100 - 100 - 3.6=100 HA PHE 45 - H GLU 16 OK 15 48 - 31 - 2038=8, 3.0/6734=6...(8) HA LYS 33 - H ARG 46 OK 13 81 - 15 - 6760/4.6=5, 2041/4.5=2...(6) HA PHE 96 - H ARG 46 OK 12 96 - 13 - 2050/4.5=4, 2041/4.5=4...(4) HA LYS 33 - H GLU 16 lone 1 32 - 4 - HA PHE 96 - H GLU 16 lone 1 42 - 2 - Peak 6743 from nnoeabs.peaks (2.98, 8.02, 118.14 ppm; 3.46 A): 5 out of 14 assignments used, quality = 0.88: * HB2 PHE 45 + H ARG 46 OK 64 100 - 64 - 4.5=47, 3.7/6741=11...(10) HB3 PHE 45 + H ARG 46 OK 46 73 - 63 - 4.5=47, 3.7/6741=11...(8) HE3 LYS 47 + H ARG 46 OK 17 94 - 19 - 6.6/6761=4, 12306/3.0=4...(7) HE2 LYS 47 + H ARG 46 OK 17 94 - 19 - 6.6/6761=4, 12306/3.0=4...(7) HB2 PHE 45 + H GLU 16 OK 10 48 - 22 - 2047=4, 3.7/6734=4...(7) HB2 SER 9 - H ARG 46 poor 10 96 - 10 - 1.8/6740=3 HB3 PHE 45 - H GLU 16 poor 5 29 - 18 - 1.8/2047=4, 3.7/6734=4...(6) HB2 SER 9 - H GLU 16 poor 5 42 - 11 - 8461/4.6=4, 12230/3.0=2 HB3 ASP 11 - H ARG 46 lone 4 90 - 4 - HB3 ASP 11 - H GLU 16 lone 4 38 - 10 - 8461/4.6=5, 8379/6204=2 HE3 LYS 12 - H ARG 46 lone 2 65 - 3 - HE3 LYS 47 - H GLU 16 lone 2 41 - 5 - 6.6/6761=1 HE2 LYS 47 - H GLU 16 lone 2 41 - 5 - 6.6/6761=1 HE3 LYS 12 - H GLU 16 lone 1 25 - 3 - Peak 6744 from nnoeabs.peaks (2.97, 8.02, 118.14 ppm; 3.48 A): 4 out of 20 assignments used, quality = 0.87: * HB3 PHE 45 + H ARG 46 OK 65 100 - 65 - 4.5=47, 3.7/6741=11...(11) HB2 PHE 45 + H ARG 46 OK 47 73 - 64 - 4.5=47, 3.7/6741=11...(9) HE3 LYS 47 + H ARG 46 OK 18 97 - 18 - 6.6/6761=4, 10613/4.0=3...(7) HE2 LYS 47 + H ARG 46 OK 18 97 - 18 - 6.6/6761=4, 10613/4.0=3...(7) HB3 PHE 45 - H GLU 16 poor 9 48 - 20 - 1.8/2047=4, 3.7/6734=4...(6) HB2 PHE 45 - H GLU 16 poor 5 29 - 18 - 3.7/6734=4, 3.0/2038=4...(6) HE2 LYS 13 - H ARG 46 lone 5 97 - 5 - 6.0/492=1 HE3 LYS 24 - H ARG 46 lone 5 99 - 5 - HE2 LYS 24 - H ARG 46 lone 5 99 - 5 - HE3 LYS 13 - H ARG 46 lone 4 94 - 5 - 6.0/492=1 HE3 LYS 12 - H ARG 46 lone 4 100 - 4 - HE2 LYS 13 - H GLU 16 lone 3 43 - 7 - 6.0/492=4 HE3 LYS 13 - H GLU 16 lone 3 41 - 7 - 6.0/492=4 HE3 LYS 12 - H GLU 16 lone 2 47 - 5 - HE3 LYS 47 - H GLU 16 lone 2 43 - 5 - 6.6/6761=1 HE2 LYS 47 - H GLU 16 lone 2 43 - 5 - 6.6/6761=1 HE2 LYS 73 - H ARG 46 lone 1 73 - 2 - HE2 LYS 24 - H GLU 16 lone 1 45 - 2 - HE3 LYS 24 - H GLU 16 lone 1 45 - 2 - HE2 LYS 73 - H GLU 16 lone 0 29 - 2 - Peak 6745 from nnoeabs.peaks (6.66, 8.02, 118.14 ppm; 4.93 A): 4 out of 4 assignments used, quality = 0.90: * HD1 PHE 45 + H ARG 46 OK 63 100 - 63 - 2035/3.6=21, 5.5/6741=14...(12) HD2 PHE 45 + H ARG 46 OK 62 100 - 63 - 2035/3.6=21, 3.7/6743=14...(12) HD1 PHE 45 + H GLU 16 OK 13 48 - 28 - 3.7/2047=7, 3.7/2056=6...(6) HD2 PHE 45 + H GLU 16 OK 13 48 - 28 - 3.7/2047=7, 3.7/2056=6...(6) Peak 6746 from nnoeabs.peaks (6.51, 8.02, 118.14 ppm; 6.50 A): 4 out of 4 assignments used, quality = 0.93: * HE1 PHE 45 + H ARG 46 OK 69 100 - 69 - 2036/3.6=21, 2.5/6745=20...(8) HE2 PHE 45 + H ARG 46 OK 69 100 - 69 - 2036/3.6=21, 2.5/6745=20...(8) HE2 PHE 45 + H GLU 16 OK 16 48 - 33 - 5.4/2047=8, 5.4/2056=7...(6) HE1 PHE 45 + H GLU 16 OK 16 47 - 33 - 5.4/2047=8, 5.4/2056=7...(6) Peak 6748 from nnoeabs.peaks (4.07, 8.02, 118.14 ppm; 3.38 A): 1 out of 8 assignments used, quality = 1.00: * HA ARG 46 + H ARG 46 OK 100 100 - 100 - 3.0=100 HA LYS 66 - H ARG 46 OK 35 99 - 35 - 2057=7, 2068/4.0=5...(14) HA ARG 46 - H GLU 16 OK 15 48 - 32 - 2057=7, 3.0/2067=5...(10) HB2 SER 49 - H ARG 46 OK 10 73 - 14 - 2068/4.0=2, 2078/4.0=2...(5) HA PRO 86 - H ARG 46 lone 6 73 - 8 - HA LYS 66 - H GLU 16 lone 3 46 - 6 - HB2 SER 49 - H GLU 16 lone 2 29 - 6 - HA PRO 86 - H GLU 16 lone 1 29 - 2 - Peak 6749 from nnoeabs.peaks (1.97, 8.02, 118.14 ppm; 2.84 A): 4 out of 20 assignments used, quality = 0.90: * HB2 ARG 46 + H ARG 46 OK 71 100 - 71 - 4.0=35, 1.8/2077=15...(14) HB3 ARG 46 + H ARG 46 OK 54 77 - 70 - 4.0=35, 1.8/2067=15...(14) HB2 LYS 47 + H ARG 46 OK 18 98 - 18 - 4.0/6761=8, 4.7/6739=3...(4) HB2 ARG 46 + H GLU 16 OK 11 48 - 23 - 2067=6, 1.8/2077=5...(8) HB3 ARG 46 - H GLU 16 poor 6 31 - 21 - 1.8/2067=5, 2077=4...(8) HB2 GLU 37 - H ARG 46 lone 6 100 - 6 - 3.0/6737=2 QE MET 1 - H ARG 46 lone 5 100 - 5 - 8037/4.6=1 HB3 MET 74 - H ARG 46 lone 4 87 - 5 - HB2 LYS 24 - H ARG 46 lone 4 87 - 4 - HB3 LYS 24 - H ARG 46 lone 4 87 - 4 - HB2 LYS 47 - H GLU 16 lone 3 44 - 6 - 4.0/6761=2 HB2 LYS 73 - H ARG 46 lone 1 70 - 2 - HB3 LYS 73 - H ARG 46 lone 1 65 - 2 - HB3 MET 74 - H GLU 16 lone 1 36 - 4 - HB2 LYS 24 - H GLU 16 lone 1 36 - 2 - HB3 LYS 24 - H GLU 16 lone 1 36 - 2 - QE MET 1 - H GLU 16 lone 1 47 - 1 - HB2 GLU 37 - H GLU 16 lone 1 47 - 1 - HB2 LYS 73 - H GLU 16 lone 0 27 - 2 - HB3 LYS 73 - H GLU 16 lone 0 25 - 2 - Peak 6750 from nnoeabs.peaks (1.96, 8.02, 118.14 ppm; 2.84 A): 4 out of 28 assignments used, quality = 0.90: * HB3 ARG 46 + H ARG 46 OK 71 100 - 71 - 4.0=35, 1.8/2067=15...(15) HB2 ARG 46 + H ARG 46 OK 54 77 - 70 - 4.0=35, 1.8/2077=15...(14) HB2 LYS 47 + H ARG 46 OK 16 94 - 18 - 4.0/6761=8, 4.7/6739=3...(4) HB3 ARG 46 + H GLU 16 OK 11 48 - 23 - 2077=6, 1.8/2067=5...(8) HB2 ARG 46 - H GLU 16 poor 6 31 - 21 - 1.8/2077=5, 2067=3...(8) HB2 GLU 17 - H GLU 16 poor 5 25 - 21 - 4.0/6248=9, 4.6/6264=6...(5) HB3 MET 74 - H ARG 46 lone 5 100 - 5 - HB3 LYS 24 - H ARG 46 lone 4 100 - 4 - HB2 LYS 24 - H ARG 46 lone 4 100 - 4 - HB2 GLU 37 - H ARG 46 lone 3 65 - 5 - 3.0/6737=2 HB2 GLU 17 - H ARG 46 lone 3 65 - 4 - 4.0/6248=2, 4.6/6264=1 HB2 LYS 73 - H ARG 46 lone 2 100 - 2 - HB3 LYS 73 - H ARG 46 lone 2 100 - 2 - HB2 LYS 47 - H GLU 16 lone 2 41 - 5 - 4.0/6761=2 HB3 MET 74 - H GLU 16 lone 2 47 - 4 - QE MET 1 - H ARG 46 lone 2 70 - 3 - HB2 MET 1 - H ARG 46 lone 1 65 - 2 - HG3 GLU 88 - H ARG 46 lone 1 73 - 2 - HB3 LYS 24 - H GLU 16 lone 1 47 - 3 - HB2 LYS 24 - H GLU 16 lone 1 47 - 3 - HB2 LYS 73 - H GLU 16 lone 1 47 - 2 - HB3 LYS 73 - H GLU 16 lone 1 47 - 2 - HB VAL 32 - H ARG 46 lone 1 61 - 1 - HG3 GLU 88 - H GLU 16 lone 0 29 - 2 - HB2 MET 1 - H GLU 16 lone 0 25 - 2 - QE MET 1 - H GLU 16 lone 0 27 - 1 - HB2 GLU 37 - H GLU 16 lone 0 25 - 1 - HB VAL 32 - H GLU 16 lone 0 23 - 1 - Peak 6751 from nnoeabs.peaks (1.82, 8.02, 118.14 ppm; 3.47 A): 5 out of 18 assignments used, quality = 0.93: * HG2 ARG 46 + H ARG 46 OK 85 100 - 85 - 4.9=35, 1.8/6752=19...(17) HB3 LYS 90 + H ARG 46 OK 22 94 - 23 - 2081/4.0=3, 2071/4.0=3...(11) HB2 LYS 90 + H ARG 46 OK 19 84 - 22 - 4.1/6755=3, 2081/4.0=3...(12) HB3 LEU 57 + H ARG 46 OK 16 100 - 16 - 2081/4.0=2, 2071/4.0=2...(8) HG2 ARG 46 + H GLU 16 OK 15 48 - 31 - 1.8/2095=6, 2086=5...(9) HB2 LEU 42 - H ARG 46 poor 10 65 - 15 - 3.0/6737=7, 8971/4.5=1...(4) HB2 LYS 68 - H ARG 46 lone 6 84 - 7 - 2061/3.0=1 HB2 LYS 53 - H ARG 46 lone 4 73 - 6 - 2071/4.0=1, 2081/4.0=1 HB3 LYS 90 - H GLU 16 poor 4 41 - 10 - 3941/4.5=3, 3.6/668=2 HB2 GLU 88 - H ARG 46 lone 4 73 - 5 - HB2 LYS 90 - H GLU 16 poor 4 34 - 10 - 3930/4.5=3, 3.6/668=2 HB3 LEU 57 - H GLU 16 lone 2 48 - 4 - HB2 GLU 104 - H ARG 46 lone 1 73 - 2 - HB2 GLU 88 - H GLU 16 lone 1 29 - 3 - HB2 LEU 42 - H GLU 16 lone 1 25 - 3 - 3.0/6737=1 HB2 LYS 68 - H GLU 16 lone 1 34 - 2 - HB2 LYS 53 - H GLU 16 lone 0 29 - 2 - HB2 GLU 104 - H GLU 16 lone 0 29 - 1 - Peak 6752 from nnoeabs.peaks (1.79, 8.02, 118.14 ppm; 3.57 A): 4 out of 10 assignments used, quality = 0.92: * HG3 ARG 46 + H ARG 46 OK 86 100 - 86 - 4.9=38, 3.0/2077=17...(16) HB2 LYS 39 + H ARG 46 OK 16 90 - 18 - 2082/4.0=3, 2072/4.0=3...(7) HG3 ARG 46 + H GLU 16 OK 16 48 - 33 - 2095=7, 1.8/2086=5...(10) HB3 GLU 63 + H ARG 46 OK 16 94 - 17 - 2062/3.0=3, 2072/4.0=2...(7) HB VAL 78 - H ARG 46 lone 9 97 - 10 - 2072/4.0=2, 2082/4.0=2...(4) HB ILE 93 - H ARG 46 lone 7 73 - 9 - 4.4/6741=2, 6766/4.6=1 HB3 GLU 63 - H GLU 16 poor 4 41 - 10 - 3.0/718=3, 2783/5.1=3...(4) HB2 LYS 39 - H GLU 16 lone 3 38 - 7 - 1680/4.6=2, 8956/4.4=1 HB VAL 78 - H GLU 16 lone 1 43 - 2 - HB ILE 93 - H GLU 16 lone 1 29 - 2 - Peak 6753 from nnoeabs.peaks (3.31, 8.02, 118.14 ppm; 5.24 A): 1 out of 2 assignments used, quality = 0.97: * HD2 ARG 46 + H ARG 46 OK 97 100 - 97 - 6.3=57, 2063/3.0=28...(19) HD2 ARG 46 - H GLU 16 OK 27 48 - 56 - 2104=12, 1.8/2113=9...(13) Peak 6754 from nnoeabs.peaks (3.19, 8.02, 118.14 ppm; 4.87 A): 1 out of 12 assignments used, quality = 0.96: * HD3 ARG 46 + H ARG 46 OK 96 100 - 96 - 6.3=46, 1.8/6753=28...(17) HB3 TRP 92 - H ARG 46 OK 25 100 - 25 - 2074/4.0=4, 2084/4.0=4...(8) HD3 ARG 46 - H GLU 16 OK 25 48 - 52 - 1.8/2104=9, 2113=8...(12) HB2 HIS 106 - H ARG 46 OK 19 94 - 20 - 2074/4.0=4, 2084/4.0=4...(7) HD2 ARG 19 - H ARG 46 OK 14 70 - 20 - 2074/4.0=3, 2084/4.0=3...(8) HD3 ARG 19 - H ARG 46 OK 14 70 - 20 - 2074/4.0=3, 2084/4.0=3...(8) HB2 ASP 77 - H ARG 46 OK 10 77 - 13 - ~10612=2, 2074/4.0=2...(7) HD3 ARG 19 - H GLU 16 poor 8 27 - 32 - 10120/4.4=9, 8529/3.0=4...(8) HD2 ARG 19 - H GLU 16 poor 8 27 - 32 - 10120/4.4=9, 8529/3.0=4...(8) HB3 TRP 92 - H GLU 16 lone 4 47 - 8 - 10120/4.4=4 HB2 HIS 106 - H GLU 16 lone 2 41 - 4 - HB2 ASP 77 - H GLU 16 lone 1 31 - 4 - 3.9/10416=1 Peak 6755 from nnoeabs.peaks (7.47, 8.02, 118.14 ppm; 3.29 A): 4 out of 12 assignments used, quality = 0.91: * H LYS 47 + H ARG 46 OK 66 100 - 66 - 4.6=36, 6760/3.6=9...(14) HE ARG 46 + H ARG 46 OK 60 100 - 60 - 6.8=11, 3.6/6752=11...(12) H ARG 91 + H ARG 46 OK 28 100 - 29 - 3.0/1958=4, 2085/4.0=3...(12) H LYS 47 + H GLU 16 OK 12 48 - 24 - 6761=9, 3.6/2057=3...(5) HE ARG 46 - H GLU 16 poor 9 47 - 19 - 3.6/2095=3, 3.6/2086=3...(6) H ARG 91 - H GLU 16 poor 5 47 - 10 - 7437/4.5=3, 7431/4.6=1 HD22 ASN 26 - H ARG 46 lone 4 99 - 4 - HE ARG 19 - H ARG 46 lone 4 57 - 6 - HZ2 TRP 92 - H ARG 46 lone 2 61 - 3 - HE ARG 19 - H GLU 16 lone 1 21 - 7 - ~8529=1, ~8502=1, 11048/4.4=1 HD22 ASN 26 - H GLU 16 lone 0 46 - 1 - HZ2 TRP 92 - H GLU 16 lone 0 23 - 1 - Peak 6756 from nnoeabs.peaks (7.47, 7.47, 116.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 47 + H LYS 47 OK 100 100 - 100 Peak 6757 from nnoeabs.peaks (3.88, 7.47, 116.94 ppm; 4.50 A): 4 out of 11 assignments used, quality = 0.92: HA ARG 91 + H LYS 47 OK 68 99 - 70 - 3.0/4025=11, 4012=7...(25) * HA GLU 43 + H LYS 47 OK 48 100 - 48 - 3.6/6778=11, 1958/4.6=6...(12) HA3 GLY 101 + H LYS 47 OK 31 92 - 33 - 3.0/6761=9, 10100/4.7=5...(7) HA LYS 94 + H LYS 47 OK 26 70 - 37 - 3.0/6759=8, 4.7/6773=7...(9) HA GLU 35 - H LYS 47 OK 20 99 - 20 - 1958/4.6=2, 4012=2...(6) HA2 GLY 101 - H LYS 47 OK 19 70 - 28 - 3.0/6761=9, 10174/3.6=5...(7) HA LEU 38 - H LYS 47 OK 18 94 - 19 - 2066/4.7=3, 2076/4.7=3...(4) HA LYS 40 - H LYS 47 OK 14 65 - 21 - 4.8/6758=5, 2.9/6778=2...(7) HA ALA 89 - H LYS 47 OK 13 65 - 21 - 3.6/7425=6, 4.8/3921=4 HA2 GLY 100 - H LYS 47 OK 13 70 - 18 - 3.6/6761=8, 10174/3.6=2...(6) HB2 SER 102 - H LYS 47 lone 4 90 - 4 - Peak 6758 from nnoeabs.peaks (3.94, 7.47, 116.94 ppm; 4.20 A): 3 out of 4 assignments used, quality = 0.85: * HA GLU 44 + H LYS 47 OK 75 100 - 75 - 1998=31, 1999/4.0=13...(15) HA TYR 41 + H LYS 47 OK 27 92 - 29 - 2133/4.0=4, 10615/4.9=4...(10) HB3 SER 9 + H LYS 47 OK 20 90 - 22 - 3.0/12339=4, 2133/4.0=3...(8) HB2 SER 97 - H LYS 47 lone 4 84 - 5 - Peak 6759 from nnoeabs.peaks (8.26, 7.47, 116.94 ppm; 4.97 A): 4 out of 5 assignments used, quality = 0.91: * H PHE 45 + H LYS 47 OK 75 100 - 75 - 3.0/6760=24, 3.6/1998=23...(13) H LYS 94 + H LYS 47 OK 46 99 - 47 - 7517/4.9=7, 7513/4.0=7...(15) H ALA 71 + H LYS 47 OK 25 100 - 25 - 6741/4.6=6, 6735=5...(8) H LEU 27 + H LYS 47 OK 13 61 - 22 - 4.6/6418=5, 3.6/12046=5...(5) H GLU 23 - H LYS 47 poor 9 73 - 12 - 3.0/6769=2, 6364/2.9=2...(4) Peak 6760 from nnoeabs.peaks (4.52, 7.47, 116.94 ppm; 4.78 A): 2 out of 3 assignments used, quality = 0.61: * HA PHE 45 + H LYS 47 OK 52 100 - 52 - 3.6/6761=24, 3.0/6759=14...(9) HA LYS 33 + H LYS 47 OK 18 81 - 22 - 10190/4.6=9, 6742/4.6=2...(7) HA PHE 96 - H LYS 47 lone 5 96 - 5 - 6742/4.6=2 Peak 6761 from nnoeabs.peaks (8.02, 7.47, 116.94 ppm; 3.33 A): 3 out of 3 assignments used, quality = 0.80: * H ARG 46 + H LYS 47 OK 68 100 - 68 - 4.6=38, 3.6/6760=9...(15) H GLY 101 + H LYS 47 OK 23 100 - 23 - 2057/3.6=4, 2077/4.7=4...(7) H GLU 16 + H LYS 47 OK 21 97 - 22 - 6755=3, 2057/3.6=3...(6) Peak 6762 from nnoeabs.peaks (4.07, 7.47, 116.94 ppm; 3.75 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 46 + H LYS 47 OK 100 100 - 100 - 3.6=100 HA LYS 66 - H LYS 47 OK 24 99 - 24 - 2068/4.7=5, 2078/4.7=5...(8) HB2 SER 49 - H LYS 47 OK 15 73 - 21 - 10188/4.6=7, 3.9/9076=5...(6) HA PRO 86 - H LYS 47 lone 7 73 - 9 - Peak 6763 from nnoeabs.peaks (1.97, 7.47, 116.94 ppm; 2.96 A): 3 out of 10 assignments used, quality = 0.94: HB2 LYS 47 + H LYS 47 OK 73 98 - 75 - 4.0=39, 1.8/6771=15...(18) * HB2 ARG 46 + H LYS 47 OK 57 100 - 57 - 4.7=26, 4.0/6761=9...(11) HB3 ARG 46 + H LYS 47 OK 43 77 - 56 - 4.7=26, 4.0/6761=9...(11) HB3 LYS 24 - H LYS 47 OK 16 87 - 19 - 2124/2.9=3, 2134=2...(8) HB2 LYS 24 - H LYS 47 OK 16 87 - 19 - 2124/2.9=3, 2134=2...(8) QE MET 1 - H LYS 47 lone 10 100 - 10 - 37/2.9=2, 38/4.0=1 HB2 LYS 73 - H LYS 47 lone 7 70 - 10 - 2.9/6772=1, 2124/2.9=1 HB3 LYS 73 - H LYS 47 lone 6 65 - 10 - 2.9/6772=1, 2124/2.9=1 HB3 MET 74 - H LYS 47 lone 4 87 - 4 - HB2 GLU 37 - H LYS 47 lone 3 100 - 3 - Peak 6764 from nnoeabs.peaks (1.96, 7.47, 116.94 ppm; 2.85 A): 5 out of 14 assignments used, quality = 0.94: HB2 LYS 47 + H LYS 47 OK 66 94 - 71 - 4.0=35, 1.8/6771=14...(16) * HB3 ARG 46 + H LYS 47 OK 54 100 - 54 - 4.7=23, 4.0/6761=8...(11) HB2 ARG 46 + H LYS 47 OK 40 77 - 52 - 4.7=23, 4.0/6761=8...(11) HB3 LYS 24 + H LYS 47 OK 17 100 - 17 - 2124/2.9=2, 2134=2...(7) HB2 LYS 24 + H LYS 47 OK 17 100 - 17 - 2124/2.9=2, 2134=2...(7) HB2 LYS 73 - H LYS 47 lone 9 100 - 9 - 2.9/6772=1, 2124/2.9=1 HB3 LYS 73 - H LYS 47 lone 9 100 - 9 - 2.9/6772=1, 2124/2.9=1 HB2 MET 1 - H LYS 47 lone 5 65 - 8 - 3.0/6769=1, ~16=1, 14/4.0=1 QE MET 1 - H LYS 47 lone 4 70 - 6 - HB3 MET 74 - H LYS 47 lone 4 100 - 4 - HG3 GLU 88 - H LYS 47 lone 3 73 - 4 - 4.2/3869=2 HB2 GLU 37 - H LYS 47 lone 2 65 - 2 - HB2 GLU 17 - H LYS 47 lone 0 65 - 1 - HB VAL 32 - H LYS 47 lone 0 61 - 1 - Peak 6765 from nnoeabs.peaks (1.82, 7.47, 116.94 ppm; 4.16 A): 5 out of 9 assignments used, quality = 0.91: * HG2 ARG 46 + H LYS 47 OK 68 100 - 68 - 1.8/6766=21, 2081/4.7=14...(10) HB3 LYS 90 + H LYS 47 OK 42 94 - 44 - 1.8/3934=8, 3945=7...(13) HB2 LYS 90 + H LYS 47 OK 35 84 - 42 - 3934=7, 1.8/3945=6...(12) HB3 LEU 57 + H LYS 47 OK 15 100 - 15 - 2081/4.7=3, 2071/4.7=3...(4) HB2 GLU 88 + H LYS 47 OK 11 73 - 15 - 3.0/3869=6, 4.3/7409=3 HB2 LYS 68 - H LYS 47 poor 10 84 - 12 - 3945=2, 2061/3.6=1 HB2 LYS 53 - H LYS 47 lone 6 73 - 9 - 2071/4.7=2, 2081/4.7=1 HB2 LEU 42 - H LYS 47 lone 5 65 - 7 - 6751/4.6=1, 2061/3.6=1 HB2 GLU 104 - H LYS 47 lone 3 73 - 4 - Peak 6766 from nnoeabs.peaks (1.79, 7.47, 116.94 ppm; 4.32 A): 4 out of 5 assignments used, quality = 0.82: * HG3 ARG 46 + H LYS 47 OK 72 100 - 72 - 2082/4.7=19, 2096/3.6=18...(10) HB2 LYS 39 + H LYS 47 OK 17 90 - 19 - 2082/4.7=4, 2072/4.7=4...(6) HB3 GLU 63 + H LYS 47 OK 15 94 - 15 - 2062/3.6=3, 2072/4.7=3...(4) HB ILE 93 + H LYS 47 OK 11 73 - 15 - 4.4/6759=5, 3.9/7480=4 HB VAL 78 - H LYS 47 lone 9 97 - 9 - 2072/4.7=2, 2082/4.7=2...(4) Peak 6769 from nnoeabs.peaks (4.14, 7.47, 116.94 ppm; 3.19 A): 1 out of 8 assignments used, quality = 1.00: * HA LYS 47 + H LYS 47 OK 100 100 - 100 - 2.9=100 HA LYS 13 - H LYS 47 OK 20 90 - 22 - 3.0/6771=3, 3.0/6771=3...(8) HA GLN 72 - H LYS 47 poor 9 90 - 10 - 2169/4.9=2, 2147/4.0=2 HA MET 1 - H LYS 47 poor 9 81 - 12 - 7/4.0=2, 2147/4.0=1, 3.0/6771=1 HA GLU 23 - H LYS 47 lone 7 100 - 7 - HB2 SER 59 - H LYS 47 lone 2 77 - 3 - HA GLU 104 - H LYS 47 lone 1 70 - 1 - HA GLU 99 - H LYS 47 lone 1 57 - 1 - Peak 6770 from nnoeabs.peaks (1.97, 7.47, 116.94 ppm; 2.96 A): 3 out of 10 assignments used, quality = 0.95: * HB2 LYS 47 + H LYS 47 OK 75 100 - 75 - 4.0=39, 1.8/6771=15...(18) HB2 ARG 46 + H LYS 47 OK 56 98 - 57 - 4.7=26, 4.0/6761=9...(11) HB3 ARG 46 + H LYS 47 OK 54 94 - 58 - 4.7=26, 4.0/6761=9...(11) HB3 LYS 24 - H LYS 47 OK 19 98 - 19 - 2124/2.9=3, 2134=2...(8) HB2 LYS 24 - H LYS 47 OK 19 98 - 19 - 2124/2.9=3, 2134=2...(8) QE MET 1 - H LYS 47 lone 9 96 - 10 - 37/2.9=2 HB2 LYS 73 - H LYS 47 lone 9 90 - 10 - 2.9/6772=1, 2124/2.9=1 HB3 LYS 73 - H LYS 47 lone 9 87 - 10 - 2.9/6772=1, 2124/2.9=1 HB3 MET 74 - H LYS 47 lone 4 98 - 4 - HB2 GLU 37 - H LYS 47 lone 3 94 - 3 - Peak 6771 from nnoeabs.peaks (1.92, 7.47, 116.94 ppm; 2.89 A): 4 out of 13 assignments used, quality = 0.85: * HB3 LYS 47 + H LYS 47 OK 72 100 - 72 - 4.0=36, 3.0/6773=14...(17) HB2 LYS 94 + H LYS 47 OK 23 100 - 23 - 3.5/6773=4, 2146=4...(10) HB2 LYS 13 + H LYS 47 OK 18 96 - 19 - 2125/2.9=3, 3.0/6769=3...(7) HB3 LYS 13 + H LYS 47 OK 17 92 - 19 - 3.0/6769=3, 2125/2.9=3...(7) HB2 LYS 33 - H LYS 47 lone 7 97 - 7 - 3.0/6760=3 HB2 GLU 43 - H LYS 47 poor 7 65 - 11 - 4.4/6778=3, 3.0/6757=2 HB3 LYS 33 - H LYS 47 lone 7 94 - 7 - 3.0/6760=3 HB2 MET 1 - H LYS 47 lone 6 70 - 9 - 3.0/6769=1, ~16=1...(4) HB3 LYS 20 - H LYS 47 lone 6 92 - 6 - HG3 GLU 88 - H LYS 47 lone 2 61 - 4 - 4.2/3869=2 HB3 ARG 19 - H LYS 47 lone 1 99 - 1 - HB2 GLU 17 - H LYS 47 lone 1 70 - 2 - HB VAL 32 - H LYS 47 lone 1 73 - 1 - Peak 6772 from nnoeabs.peaks (1.49, 7.47, 116.94 ppm; 3.74 A): 3 out of 11 assignments used, quality = 0.96: * HG2 LYS 47 + H LYS 47 OK 88 100 - 88 - 4.9=43, 1.8/6773=29...(17) HB2 ARG 91 + H LYS 47 OK 54 99 - 55 - 4025=13, 2.8/4044=6...(21) HG3 LYS 13 + H LYS 47 OK 36 98 - 37 - 2157=5, 2126/2.9=5...(16) HG2 LYS 73 - H LYS 47 OK 22 100 - 22 - 2126/2.9=4, 2157=3...(9) HG3 LYS 24 - H LYS 47 OK 17 70 - 24 - 2126/2.9=3, 2.9/6764=3...(13) HG2 LYS 66 - H LYS 47 OK 12 100 - 12 - 3.7/6762=4, 2909/3.6=3 HG3 LYS 66 - H LYS 47 OK 12 100 - 12 - 3.7/6762=4, 2920/3.6=3 HG3 LYS 33 - H LYS 47 OK 11 84 - 13 - 3.9/6760=4, 2.8/6771=2...(5) HG LEU 57 - H LYS 47 lone 6 92 - 6 - 3.0/6765=2 HB3 LEU 64 - H LYS 47 lone 5 100 - 5 - HG LEU 64 - H LYS 47 lone 4 90 - 5 - Peak 6773 from nnoeabs.peaks (1.62, 7.47, 116.94 ppm; 3.29 A): 2 out of 5 assignments used, quality = 0.83: * HG3 LYS 47 + H LYS 47 OK 76 100 - 76 - 4.9=30, 2127/2.9=15...(21) HD2 LYS 94 + H LYS 47 OK 29 100 - 30 - 2127/2.9=8, 2139/4.0=5...(9) HD3 LYS 39 - H LYS 47 lone 3 61 - 4 - 3.6/6766=2 HG2 LYS 68 - H LYS 47 lone 2 57 - 3 - HB2 ARG 30 - H LYS 47 lone 1 61 - 1 - Peak 6774 from nnoeabs.peaks (1.68, 7.47, 116.94 ppm; 3.87 A): 3 out of 17 assignments used, quality = 0.98: * HD2 LYS 47 + H LYS 47 OK 81 100 - 81 - 3.0/6773=24, 6.3=23...(21) HD3 LYS 47 + H LYS 47 OK 81 100 - 81 - 3.0/6773=24, 6.3=23...(21) HB3 ARG 91 + H LYS 47 OK 50 100 - 50 - 1.8/4025=11, 2.8/4044=7...(15) HD3 LYS 90 - H LYS 47 OK 20 73 - 28 - 3.6/6765=5, 1.8/3978=5...(8) HD2 LYS 24 - H LYS 47 OK 20 77 - 26 - 3.6/6764=2, 3.6/6764=2...(15) HD3 LYS 24 - H LYS 47 OK 19 73 - 26 - 3.6/6764=2, 3.6/6764=2...(14) HD2 LYS 73 - H LYS 47 OK 14 84 - 17 - 3.0/6772=3, 2128/2.9=2...(8) HD2 LYS 20 - H LYS 47 OK 14 100 - 14 - 2128/2.9=1, 2179=1...(4) HG3 LYS 20 - H LYS 47 OK 14 98 - 14 - 896/4.0=2, 2128/2.9=1 HD3 LYS 20 - H LYS 47 OK 14 98 - 14 - 2128/2.9=1, 3.5/6771=1...(4) HD3 LYS 73 - H LYS 47 OK 13 77 - 17 - 3.0/6772=3, 2128/2.9=2...(8) HB3 LYS 40 - H LYS 47 lone 9 100 - 8 - 1795/4.6=2, 3.0/6757=1 HG12 ILE 15 - H LYS 47 lone 7 84 - 8 - 668/4.6=2, 3989=1 HB ILE 52 - H LYS 47 lone 6 92 - 6 - 6786/4.6=2 HG2 PRO 86 - H LYS 47 lone 5 87 - 6 - 3.8/6762=1 HB3 LYS 53 - H LYS 47 lone 5 99 - 5 - 1.8/6765=1 HG LEU 70 - H LYS 47 lone 3 65 - 4 - Peak 6775 from nnoeabs.peaks (1.68, 7.47, 116.94 ppm; 3.87 A): 3 out of 20 assignments used, quality = 0.98: * HD3 LYS 47 + H LYS 47 OK 81 100 - 81 - 3.0/6773=24, 6.3=23...(21) HD2 LYS 47 + H LYS 47 OK 81 100 - 81 - 3.0/6773=24, 6.3=23...(21) HB3 ARG 91 + H LYS 47 OK 50 100 - 50 - 1.8/4025=11, 2.8/4044=7...(15) HD3 LYS 90 - H LYS 47 OK 22 77 - 28 - 3.6/6765=5, 1.8/3978=5...(8) HD2 LYS 24 - H LYS 47 OK 21 81 - 26 - 3.6/6764=2, 3.6/6764=2...(15) HD3 LYS 24 - H LYS 47 OK 20 77 - 26 - 3.6/6764=2, 3.6/6764=2...(14) HD2 LYS 13 - H LYS 47 OK 18 61 - 29 - 3.0/6772=4, 3.6/6771=3...(13) HD2 LYS 20 - H LYS 47 OK 14 99 - 14 - 2128/2.9=1, 2179=1...(4) HD2 LYS 73 - H LYS 47 OK 14 81 - 17 - 3.0/6772=3, 2128/2.9=2...(8) HG3 LYS 20 - H LYS 47 OK 13 97 - 14 - 896/4.0=2, 2128/2.9=1 HD3 LYS 20 - H LYS 47 OK 13 97 - 14 - 2128/2.9=1, 3.5/6771=1...(4) HD3 LYS 73 - H LYS 47 OK 12 73 - 17 - 3.0/6772=3, 2128/2.9=2...(8) HB3 LYS 40 - H LYS 47 lone 9 100 - 8 - 1795/4.6=2, 3.0/6757=1 HG12 ILE 15 - H LYS 47 lone 7 87 - 8 - 668/4.6=2, 3989=1 HB ILE 52 - H LYS 47 lone 5 90 - 6 - 6786/4.6=2 HG2 PRO 86 - H LYS 47 lone 5 90 - 6 - 3.8/6762=1 HB3 LYS 53 - H LYS 47 lone 5 99 - 5 - 1.8/6765=1 HD2 LYS 12 - H LYS 47 lone 5 61 - 7 - HD3 LYS 12 - H LYS 47 lone 5 61 - 7 - HG LEU 70 - H LYS 47 lone 3 70 - 4 - Peak 6776 from nnoeabs.peaks (2.97, 7.47, 116.94 ppm; 4.65 A): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 47 + H LYS 47 OK 87 100 - 87 - 6.6=34, 3.8/6773=26...(21) HE3 LYS 47 + H LYS 47 OK 87 100 - 87 - 6.6=34, 3.8/6773=26...(21) HB3 PHE 45 + H LYS 47 OK 52 97 - 54 - 3.0/6760=21, 4.5/6761=19...(10) HB2 PHE 45 + H LYS 47 OK 49 94 - 53 - 3.0/6760=21, 4.5/6761=19...(8) HE3 LYS 24 - H LYS 47 OK 30 87 - 34 - 2131/2.9=3, 2155/4.0=3...(19) HE2 LYS 24 - H LYS 47 OK 30 87 - 34 - 2131/2.9=3, 2155/4.0=3...(19) HE2 LYS 13 - H LYS 47 OK 26 81 - 33 - 3.8/6772=5, 5.0/6771=3...(17) HE3 LYS 13 - H LYS 47 OK 24 73 - 32 - 3.8/6772=5, 5.0/6771=3...(15) HB2 SER 9 - H LYS 47 OK 14 70 - 20 - 1.8/6758=7, 3.0/12339=5...(4) HE3 LYS 12 - H LYS 47 lone 9 94 - 9 - Peak 6777 from nnoeabs.peaks (2.97, 7.47, 116.94 ppm; 4.65 A): 4 out of 10 assignments used, quality = 1.00: HE2 LYS 47 + H LYS 47 OK 87 100 - 87 - 6.6=34, 3.8/6773=26...(21) * HE3 LYS 47 + H LYS 47 OK 87 100 - 87 - 6.6=34, 3.8/6773=26...(21) HB3 PHE 45 + H LYS 47 OK 52 97 - 54 - 3.0/6760=21, 4.5/6761=19...(10) HB2 PHE 45 + H LYS 47 OK 49 94 - 53 - 3.0/6760=21, 4.5/6761=19...(8) HE3 LYS 24 - H LYS 47 OK 30 87 - 34 - 2131/2.9=3, 2155/4.0=3...(19) HE2 LYS 24 - H LYS 47 OK 30 87 - 34 - 2131/2.9=3, 2155/4.0=3...(19) HE2 LYS 13 - H LYS 47 OK 26 81 - 33 - 3.8/6772=5, 5.0/6771=3...(17) HE3 LYS 13 - H LYS 47 OK 24 73 - 32 - 3.8/6772=5, 5.0/6771=3...(15) HB2 SER 9 - H LYS 47 OK 14 70 - 20 - 1.8/6758=7, 3.0/12339=5...(4) HE3 LYS 12 - H LYS 47 lone 9 94 - 9 - Peak 6778 from nnoeabs.peaks (7.62, 7.47, 116.94 ppm; 3.17 A): 2 out of 5 assignments used, quality = 0.75: * H GLU 48 + H LYS 47 OK 64 100 - 64 - 4.6=33, 2144/4.0=7...(19) H GLU 44 + H LYS 47 OK 32 81 - 40 - 3.0/1998=11, 2132/2.9=5...(12) HD22 ASN 10 - H LYS 47 lone 6 92 - 7 - 2132/2.9=1 HE22 GLN 50 - H LYS 47 lone 6 96 - 6 - 2132/2.9=1 H LYS 40 - H LYS 47 lone 5 70 - 7 - 4.6/6766=1 Peak 6779 from nnoeabs.peaks (7.62, 7.62, 118.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 48 + H GLU 48 OK 100 100 - 100 Peak 6780 from nnoeabs.peaks (7.47, 7.62, 118.85 ppm; 3.11 A): 3 out of 6 assignments used, quality = 0.73: * H LYS 47 + H GLU 48 OK 62 100 - 62 - 4.6=31, 4.0/2144=7...(19) H ARG 91 + H GLU 48 OK 16 100 - 16 - 2122/3.6=4, 2134/4.7=2...(4) HE ARG 46 + H GLU 48 OK 15 100 - 15 - 2122/3.6=3, 6.5/10188=2...(6) HD22 ASN 26 - H GLU 48 lone 4 99 - 4 - 2122/3.6=1 HZ2 TRP 92 - H GLU 48 lone 1 61 - 2 - HE ARG 19 - H GLU 48 lone 1 57 - 1 - Peak 6781 from nnoeabs.peaks (4.14, 7.62, 118.85 ppm; 3.61 A): 1 out of 8 assignments used, quality = 1.00: * HA LYS 47 + H GLU 48 OK 100 100 - 100 - 3.6=100 HA LYS 13 - H GLU 48 OK 14 90 - 16 - 6769/4.6=3, 2147/4.7=2...(6) HA MET 1 - H GLU 48 lone 8 81 - 10 - 7/4.7=2, 4.2/6794=1...(4) HA GLN 72 - H GLU 48 lone 8 90 - 9 - 2147/4.7=2, 2135/4.7=1...(4) HB2 SER 59 - H GLU 48 lone 7 77 - 9 - ~9405=3, 4.6/6795=2...(4) HA GLU 99 - H GLU 48 poor 7 57 - 13 - 3.0/6792=3, 3.0/6792=3...(4) HA GLU 23 - H GLU 48 lone 5 100 - 5 - HA GLU 104 - H GLU 48 lone 1 70 - 1 - Peak 6782 from nnoeabs.peaks (1.97, 7.62, 118.85 ppm; 3.59 A): 6 out of 10 assignments used, quality = 0.93: * HB2 LYS 47 + H GLU 48 OK 75 100 - 75 - 4.7=46, 4.0/6780=14...(11) HB2 ARG 46 + H GLU 48 OK 29 98 - 30 - 4.7/6780=12, 3.0/10188=7...(6) HB3 ARG 46 + H GLU 48 OK 28 94 - 30 - 4.7/6780=12, 3.0/10188=7...(6) HB3 LYS 24 + H GLU 48 OK 21 98 - 21 - 2144=4, 2124/3.6=3...(7) HB2 LYS 24 + H GLU 48 OK 21 98 - 21 - 2144=4, 2124/3.6=3...(7) QE MET 1 + H GLU 48 OK 11 96 - 12 - 37/3.6=2, 8037/4.6=2...(4) HB2 GLU 37 - H GLU 48 lone 8 94 - 9 - 3.0/1584=1, 8823/3.0=1 HB2 LYS 73 - H GLU 48 lone 8 90 - 8 - 2.9/6784=2, 2124/3.6=2 HB3 MET 74 - H GLU 48 lone 7 98 - 7 - 4.2/9589=2, 1.8/6792=1 HB3 LYS 73 - H GLU 48 lone 7 87 - 8 - 2.9/6784=2, 2124/3.6=1 Peak 6783 from nnoeabs.peaks (1.92, 7.62, 118.85 ppm; 3.57 A): 7 out of 13 assignments used, quality = 0.91: * HB3 LYS 47 + H GLU 48 OK 75 100 - 75 - 4.7=45, 1.8/2144=16...(11) HB2 LYS 94 + H GLU 48 OK 23 100 - 23 - 3.5/6785=5, 2125/3.6=4...(7) HB2 GLU 43 + H GLU 48 OK 15 65 - 23 - 1.8/1976=5, 3.0/6793=4...(9) HB2 LYS 33 + H GLU 48 OK 14 97 - 15 - 3.0/10190=10, 2.8/6784=2 HB2 LYS 13 + H GLU 48 OK 14 96 - 15 - 2125/3.6=3, 3.0/6781=3...(5) HB3 LYS 33 + H GLU 48 OK 14 94 - 15 - 3.0/10190=10, 2.8/6784=2 HB3 LYS 13 + H GLU 48 OK 13 92 - 15 - 2125/3.6=3, 3.0/6781=3...(5) HB3 LYS 20 - H GLU 48 lone 8 92 - 8 - 3.0/10188=1, 2125/3.6=1 HB2 MET 1 - H GLU 48 poor 7 70 - 10 - 3.0/6794=2, 14/4.7=2...(5) HB2 GLU 17 - H GLU 48 lone 6 70 - 9 - 3.0/6794=3, 2.9/10188=2 HB3 ARG 19 - H GLU 48 lone 4 99 - 4 - HB VAL 32 - H GLU 48 lone 3 73 - 4 - HG3 GLU 88 - H GLU 48 lone 1 61 - 1 - Peak 6784 from nnoeabs.peaks (1.49, 7.62, 118.85 ppm; 4.73 A): 4 out of 11 assignments used, quality = 0.91: * HG2 LYS 47 + H GLU 48 OK 77 100 - 77 - 1.8/6785=24, 4.9/6780=19...(11) HB2 ARG 91 + H GLU 48 OK 32 99 - 32 - 4025/4.6=8, 2126/3.6=7...(8) HG3 LYS 13 + H GLU 48 OK 31 98 - 32 - 2126/3.6=6, 6772/4.6=4...(12) HG2 LYS 73 + H GLU 48 OK 23 100 - 23 - 2126/3.6=4, 2167=3...(9) HG3 LYS 33 - H GLU 48 OK 21 84 - 25 - 3.9/10190=14, 2.8/6783=3...(5) HG3 LYS 24 - H GLU 48 OK 18 70 - 26 - 2.9/6782=4, 2.9/6782=4...(10) HB3 LEU 64 - H GLU 48 OK 14 100 - 14 - 2818/4.6=4, 3.9/6795=4 HG2 LYS 66 - H GLU 48 lone 10 100 - 10 - 3.7/10188=3, 6772/4.6=1 HG LEU 64 - H GLU 48 poor 10 90 - 11 - 2826/4.6=3, 4.8/6795=3 HG3 LYS 66 - H GLU 48 lone 10 100 - 10 - 3.7/10188=3, 6772/4.6=1 HG LEU 57 - H GLU 48 lone 7 92 - 8 - 2.1/9035=2 Peak 6785 from nnoeabs.peaks (1.62, 7.62, 118.85 ppm; 4.75 A): 2 out of 5 assignments used, quality = 0.88: * HG3 LYS 47 + H GLU 48 OK 80 100 - 80 - 2127/3.6=25, 6773/4.6=22...(11) HD2 LYS 94 + H GLU 48 OK 39 100 - 40 - 2127/3.6=12, 6773/4.6=9...(6) HD3 LYS 39 - H GLU 48 poor 7 61 - 11 - 3.0/1723=2, 3.6/1690=2...(4) HG2 LYS 68 - H GLU 48 lone 3 57 - 4 - HB2 ARG 30 - H GLU 48 lone 2 61 - 3 - Peak 6786 from nnoeabs.peaks (1.68, 7.62, 118.85 ppm; 4.87 A): 3 out of 17 assignments used, quality = 0.95: * HD2 LYS 47 + H GLU 48 OK 70 100 - 70 - 3.0/6785=21, 3.9/2144=16...(11) HD3 LYS 47 + H GLU 48 OK 70 100 - 70 - 3.0/6785=21, 3.9/2144=16...(11) HB ILE 52 + H GLU 48 OK 45 92 - 49 - 3.2/9036=14, 12315/4.0=8...(7) HB3 ARG 91 - H GLU 48 OK 29 100 - 29 - 3.9/6780=6, 1.8/6784=5...(9) HB3 LYS 40 - H GLU 48 OK 25 100 - 25 - 3.0/10622=5, ~10619=3...(8) HD2 LYS 24 - H GLU 48 OK 18 77 - 24 - 3.6/6782=4, 3.6/6782=4...(10) HG3 LYS 20 - H GLU 48 OK 18 98 - 18 - 896/4.7=3, 3.7/10188=2...(7) HD3 LYS 24 - H GLU 48 OK 17 73 - 24 - 3.6/6782=4, 3.6/6782=4...(10) HD2 LYS 20 - H GLU 48 OK 17 100 - 17 - 2128/3.6=2, 3.5/6783=2...(9) HD3 LYS 20 - H GLU 48 OK 16 98 - 16 - 2128/3.6=2, 3.5/6783=2...(9) HD2 LYS 73 - H GLU 48 OK 13 84 - 16 - 3.0/6784=3, 2128/3.6=2...(7) HD3 LYS 73 - H GLU 48 OK 12 77 - 15 - 3.0/6784=3, 2128/3.6=2...(7) HG12 ILE 15 - H GLU 48 lone 6 84 - 7 - 3.2/9035=1 HD3 LYS 90 - H GLU 48 lone 5 73 - 6 - 3989/4.6=2 HB3 LYS 53 - H GLU 48 lone 4 99 - 5 - HG LEU 70 - H GLU 48 lone 4 65 - 7 - 2.1/9035=2 HG2 PRO 86 - H GLU 48 lone 3 87 - 4 - Peak 6787 from nnoeabs.peaks (1.68, 7.62, 118.85 ppm; 4.87 A): 3 out of 20 assignments used, quality = 0.95: HD2 LYS 47 + H GLU 48 OK 70 100 - 70 - 3.0/6785=21, 3.9/2144=16...(11) * HD3 LYS 47 + H GLU 48 OK 70 100 - 70 - 3.0/6785=21, 3.9/2144=16...(11) HB ILE 52 + H GLU 48 OK 43 90 - 48 - 3.2/9036=14, 12315/4.0=8...(7) HB3 ARG 91 - H GLU 48 OK 29 100 - 29 - 3.9/6780=6, 1.8/6784=5...(8) HB3 LYS 40 - H GLU 48 OK 25 100 - 25 - 3.0/10622=5, ~10619=3...(8) HD2 LYS 24 - H GLU 48 OK 19 81 - 24 - 3.6/6782=4, 3.6/6782=4...(10) HD3 LYS 24 - H GLU 48 OK 18 77 - 24 - 3.6/6782=4, 3.6/6782=4...(10) HG3 LYS 20 - H GLU 48 OK 18 97 - 18 - 896/4.7=2, 3.7/10188=2...(7) HD2 LYS 20 - H GLU 48 OK 17 99 - 16 - 2128/3.6=2, 3.5/6783=2...(9) HD3 LYS 20 - H GLU 48 OK 16 97 - 16 - 2128/3.6=2, 3.5/6783=2...(9) HD2 LYS 13 - H GLU 48 OK 13 61 - 22 - 3.0/6784=4, 3.6/6783=3...(9) HD2 LYS 73 - H GLU 48 OK 13 81 - 16 - 3.0/6784=3, 2128/3.6=2...(7) HD3 LYS 73 - H GLU 48 OK 11 73 - 15 - 3.0/6784=3, 2128/3.6=2...(7) HG12 ILE 15 - H GLU 48 lone 7 87 - 7 - 3.2/9035=1 HD3 LYS 90 - H GLU 48 lone 5 77 - 7 - 3989/4.6=2 HG LEU 70 - H GLU 48 lone 5 70 - 7 - 2.1/9035=2 HD2 LYS 12 - H GLU 48 lone 5 61 - 7 - 5.2/10622=1 HD3 LYS 12 - H GLU 48 lone 5 61 - 7 - 5.2/10622=1 HB3 LYS 53 - H GLU 48 lone 4 99 - 5 - HG2 PRO 86 - H GLU 48 lone 3 90 - 4 - Peak 6788 from nnoeabs.peaks (2.97, 7.62, 118.85 ppm; 5.25 A): 3 out of 10 assignments used, quality = 0.96: * HE2 LYS 47 + H GLU 48 OK 74 100 - 74 - 3.8/6785=21, 4.9/2144=15...(11) HE3 LYS 47 + H GLU 48 OK 74 100 - 74 - 3.8/6785=21, 4.9/2144=15...(11) HB3 PHE 45 + H GLU 48 OK 43 97 - 45 - 3.0/10190=22, 4.5/6739=7...(11) HB2 PHE 45 - H GLU 48 OK 40 94 - 43 - 3.0/10190=22, 4.5/6739=7...(9) HE3 LYS 24 - H GLU 48 OK 21 87 - 24 - 2130/3.6=3, 4.9/6782=3...(10) HE2 LYS 24 - H GLU 48 OK 21 87 - 24 - 2130/3.6=3, 4.9/6782=3...(10) HB2 SER 9 - H GLU 48 OK 21 70 - 30 - 1.8/10621=7, 4.6/6121=5...(8) HE2 LYS 13 - H GLU 48 OK 19 81 - 23 - 3.8/6784=4, 2130/3.6=3...(9) HE3 LYS 13 - H GLU 48 OK 16 73 - 22 - 3.8/6784=4, 2130/3.6=3...(9) HE3 LYS 12 - H GLU 48 lone 9 94 - 10 - 6.3/10622=1 Peak 6789 from nnoeabs.peaks (2.97, 7.62, 118.85 ppm; 5.25 A): 3 out of 10 assignments used, quality = 0.96: HE2 LYS 47 + H GLU 48 OK 74 100 - 74 - 3.8/6785=21, 4.9/2144=15...(11) * HE3 LYS 47 + H GLU 48 OK 74 100 - 74 - 3.8/6785=21, 4.9/2144=15...(11) HB3 PHE 45 + H GLU 48 OK 43 97 - 45 - 3.0/10190=22, 4.5/6739=7...(11) HB2 PHE 45 - H GLU 48 OK 40 94 - 43 - 3.0/10190=22, 4.5/6739=7...(9) HE3 LYS 24 - H GLU 48 OK 21 87 - 24 - 2130/3.6=3, 4.9/6782=3...(10) HE2 LYS 24 - H GLU 48 OK 21 87 - 24 - 2130/3.6=3, 4.9/6782=3...(10) HB2 SER 9 - H GLU 48 OK 21 70 - 30 - 1.8/10621=7, 4.6/6121=5...(8) HE2 LYS 13 - H GLU 48 OK 19 81 - 23 - 3.8/6784=4, 2130/3.6=3...(9) HE3 LYS 13 - H GLU 48 OK 16 73 - 22 - 3.8/6784=4, 2130/3.6=3...(9) HE3 LYS 12 - H GLU 48 lone 9 94 - 10 - 6.3/10622=1 Peak 6790 from nnoeabs.peaks (4.43, 7.62, 118.85 ppm; 3.34 A): 1 out of 7 assignments used, quality = 1.00: * HA GLU 48 + H GLU 48 OK 100 100 - 100 - 3.0=100 HA ILE 76 - H GLU 48 OK 23 100 - 23 - 3.2/9034=5, 2231/4.0=3...(10) HA SER 9 - H GLU 48 OK 16 100 - 16 - 3.6/6121=2, 3.0/10621=2...(4) HA ALA 25 - H GLU 48 poor 9 77 - 11 - 3.0/6795=3, 2231/4.0=1 HA MET 21 - H GLU 48 lone 5 70 - 6 - HA VAL 32 - H GLU 48 lone 3 70 - 4 - HB THR 84 - H GLU 48 lone 2 87 - 3 - Peak 6791 from nnoeabs.peaks (2.30, 7.62, 118.85 ppm; 3.13 A): 2 out of 6 assignments used, quality = 0.82: * HB2 GLU 48 + H GLU 48 OK 74 100 - 74 - 4.0=47, 1.8/6792=17...(12) HG3 GLU 16 + H GLU 48 OK 29 100 - 29 - 1.8/6793=8, 2225/3.0=6...(9) HG2 GLU 63 - H GLU 48 lone 9 100 - 9 - 6799/4.6=2, 2225/3.0=2 HB2 TYR 41 - H GLU 48 lone 7 73 - 9 - 3.0/1879=2, 4.1/6679=1 HD3 ARG 81 - H GLU 48 lone 4 92 - 4 - 2225/3.0=1 HB2 TYR 4 - H GLU 48 lone 3 97 - 3 - Peak 6792 from nnoeabs.peaks (2.05, 7.62, 118.85 ppm; 3.14 A): 4 out of 11 assignments used, quality = 0.84: * HB3 GLU 48 + H GLU 48 OK 74 100 - 74 - 4.0=47, 1.8/6791=20...(9) HB2 GLU 99 + H GLU 48 OK 16 99 - 17 - 2237=3, 2226/3.0=3...(7) HB3 GLU 99 + H GLU 48 OK 15 92 - 16 - 1.8/2237=3, 2226/3.0=3...(7) HB3 GLU 43 + H GLU 48 OK 13 70 - 19 - 3.0/6793=3, 1.8/1968=3...(7) HB2 GLU 98 - H GLU 48 lone 10 100 - 10 - 2237=2, 2226/3.0=2...(4) HB3 GLU 98 - H GLU 48 lone 10 99 - 9 - 2226/3.0=2, 2237=2...(4) HG12 ILE 93 - H GLU 48 lone 6 92 - 6 - ~10030=3, 2226/3.0=1 HB2 MET 21 - H GLU 48 lone 5 100 - 5 - 2226/3.0=1 HB2 MET 74 - H GLU 48 lone 4 77 - 5 - 4.2/9589=1 HG2 GLU 28 - H GLU 48 lone 1 73 - 1 - HG3 GLU 28 - H GLU 48 lone 1 73 - 1 - Peak 6793 from nnoeabs.peaks (2.33, 7.62, 118.85 ppm; 3.27 A): 3 out of 5 assignments used, quality = 0.84: * HG2 GLU 48 + H GLU 48 OK 69 100 - 69 - 4.9=30, 3.0/6791=16...(10) HG2 GLU 16 + H GLU 48 OK 35 99 - 35 - 1.8/6791=8, 2227/3.0=7...(9) HG3 GLU 43 + H GLU 48 OK 19 90 - 21 - 3.0/1976=3, 2227/3.0=3...(10) HG3 GLU 69 - H GLU 48 lone 9 97 - 9 - 2227/3.0=1, 2244=1, 2234/4.0=1 HB2 TYR 41 - H GLU 48 poor 6 61 - 10 - 3.0/1879=3, 4.1/6679=2 Peak 6794 from nnoeabs.peaks (2.43, 7.62, 118.85 ppm; 3.84 A): 3 out of 7 assignments used, quality = 0.92: * HG3 GLU 48 + H GLU 48 OK 85 100 - 85 - 4.9=48, 1.8/6793=22...(12) HG3 GLN 50 + H GLU 48 OK 34 100 - 34 - 9081=7, 3.7/9096=6...(9) HG3 GLU 99 + H GLU 48 OK 23 94 - 25 - 2228/3.0=4, 3.0/6792=4...(11) HG3 GLU 17 - H GLU 48 OK 21 100 - 21 - 2251=3, 2235/4.0=3...(8) HG3 MET 1 - H GLU 48 OK 14 90 - 16 - 35/4.7=3, 30/3.6=2...(7) HG2 GLN 72 - H GLU 48 OK 12 99 - 12 - 9081=2, 3210/3.6=1...(5) HB2 ASP 11 - H GLU 48 OK 12 100 - 12 - 4.0/6141=3, 2228/3.0=3...(4) Peak 6795 from nnoeabs.peaks (7.72, 7.62, 118.85 ppm; 3.33 A): 4 out of 5 assignments used, quality = 0.82: * H SER 49 + H GLU 48 OK 74 100 - 74 - 4.6=37, 6798/3.0=18...(11) H ASN 60 + H GLU 48 OK 13 99 - 14 - 2229/3.0=3, 9412/4.0=2 H ALA 25 + H GLU 48 OK 12 77 - 15 - 6396/3.6=2, 2229/3.0=2...(7) H LEU 64 + H GLU 48 OK 12 96 - 12 - 2236/4.0=2, 2229/3.0=2 H GLU 37 - H GLU 48 lone 5 73 - 6 - 3.0/1584=1 Peak 6796 from nnoeabs.peaks (7.72, 7.72, 114.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 49 + H SER 49 OK 100 100 - 100 Peak 6797 from nnoeabs.peaks (7.62, 7.72, 114.22 ppm; 3.47 A): 3 out of 5 assignments used, quality = 0.85: * H GLU 48 + H SER 49 OK 78 100 - 78 - 4.6=42, 3.0/6798=20...(11) HE22 GLN 50 + H SER 49 OK 20 96 - 21 - 6.6/6808=5, 3.5/6802=3...(7) HD22 ASN 10 + H SER 49 OK 12 92 - 13 - 2223/3.6=4, 2230/4.6=3...(4) H GLU 44 - H SER 49 poor 9 81 - 11 - 9077/2.9=2, 2223/3.6=2 H LYS 40 - H SER 49 poor 7 70 - 11 - 2.9/6805=3, 9080/3.9=2 Peak 6798 from nnoeabs.peaks (4.43, 7.72, 114.22 ppm; 3.32 A): 2 out of 7 assignments used, quality = 0.93: * HA GLU 48 + H SER 49 OK 92 100 - 92 - 3.6=81, 3.0/6795=17...(11) HA ILE 76 + H SER 49 OK 17 100 - 18 - 3.2/9046=4, 2231/4.6=2...(7) HA SER 9 - H SER 49 lone 7 100 - 7 - 6790/4.6=1, 2231/4.6=1 HA ALA 25 - H SER 49 lone 7 77 - 9 - 2.1/1155=1, 1150=1, 2231/4.6=1 HA VAL 32 - H SER 49 lone 4 70 - 6 - 3.2/8936=2, ~6506=1 HA MET 21 - H SER 49 lone 4 70 - 5 - 3.0/6800=1 HB THR 84 - H SER 49 lone 2 87 - 2 - Peak 6799 from nnoeabs.peaks (2.30, 7.72, 114.22 ppm; 3.99 A): 3 out of 6 assignments used, quality = 0.95: * HB2 GLU 48 + H SER 49 OK 89 100 - 89 - 4.6=64, 3.0/6798=24...(12) HG3 GLU 16 + H SER 49 OK 39 100 - 40 - 1.8/6801=11, 2225/3.6=7...(11) HG2 GLU 63 + H SER 49 OK 32 100 - 32 - 3.0/2778=4, 1.8/2799=4...(11) HD3 ARG 81 - H SER 49 lone 6 92 - 6 - 2225/3.6=1 HB2 TYR 41 - H SER 49 lone 6 73 - 7 - 6791/4.6=1, 2225/3.6=1 HB2 TYR 4 - H SER 49 lone 5 97 - 5 - 2225/3.6=1 Peak 6800 from nnoeabs.peaks (2.05, 7.72, 114.22 ppm; 4.21 A): 1 out of 11 assignments used, quality = 0.92: * HB3 GLU 48 + H SER 49 OK 92 100 - 92 - 4.6=75, 3.0/6798=26...(9) HB2 GLU 99 - H SER 49 OK 17 99 - 18 - 2226/3.6=4, 2233/4.6=3...(5) HB3 GLU 99 - H SER 49 OK 14 92 - 16 - 2226/3.6=4, 2233/4.6=3...(5) HB2 GLU 98 - H SER 49 OK 10 100 - 10 - 2226/3.6=2, 2233/4.6=2...(5) HB3 GLU 98 - H SER 49 OK 10 99 - 10 - 2226/3.6=2, 2233/4.6=2...(5) HB2 MET 21 - H SER 49 lone 10 100 - 10 - ~9075=2, 2226/3.6=2...(5) HB3 GLU 43 - H SER 49 poor 9 70 - 13 - 3.0/6801=3, 1976/4.6=2...(5) HG12 ILE 93 - H SER 49 lone 7 92 - 8 - 2226/3.6=2, 2.1/9047=1 HB2 MET 74 - H SER 49 lone 5 77 - 7 - ~9075=2, 10860/3.9=2 HG2 GLU 28 - H SER 49 lone 1 73 - 1 - HG3 GLU 28 - H SER 49 lone 1 73 - 1 - Peak 6801 from nnoeabs.peaks (2.33, 7.72, 114.22 ppm; 4.27 A): 4 out of 5 assignments used, quality = 0.88: * HG2 GLU 48 + H SER 49 OK 70 100 - 70 - 4.1/6798=21, 2234/4.6=17...(10) HG2 GLU 16 + H SER 49 OK 46 99 - 47 - 1.8/6799=9, 2227/3.6=9...(11) HG3 GLU 43 + H SER 49 OK 15 90 - 17 - 1990/4.6=4, 2227/3.6=4...(6) HG3 GLU 69 + H SER 49 OK 11 97 - 10 - 2227/3.6=2, 6793/4.6=2...(5) HB2 TYR 41 - H SER 49 lone 5 61 - 7 - 2227/3.6=1, 6793/4.6=1 Peak 6802 from nnoeabs.peaks (2.43, 7.72, 114.22 ppm; 4.78 A): 3 out of 7 assignments used, quality = 0.93: * HG3 GLU 48 + H SER 49 OK 80 100 - 80 - 4.1/6798=25, 1.8/6801=22...(13) HG3 GLN 50 + H SER 49 OK 50 100 - 50 - 5.1/6808=16, ~9052=7...(10) HG3 GLU 17 + H SER 49 OK 30 100 - 30 - 11027/4.6=4, 2235/4.6=4...(10) HG3 GLU 99 - H SER 49 OK 24 94 - 26 - 2228/3.6=5, 2235/4.6=4...(8) HB2 ASP 11 - H SER 49 OK 16 100 - 16 - 374/4.6=4, 2228/3.6=3...(5) HG2 GLN 72 - H SER 49 OK 14 99 - 14 - 6816/4.6=4, 6794/4.6=2...(5) HG3 MET 1 - H SER 49 OK 10 90 - 11 - 6794/4.6=2, 9049/2.9=1...(4) Peak 6803 from nnoeabs.peaks (4.24, 7.72, 114.22 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 49 + H SER 49 OK 100 100 - 100 - 2.9=100 HB THR 31 - H SER 49 OK 11 99 - 11 - 2269/3.9=2, 2264/3.9=2...(6) Peak 6804 from nnoeabs.peaks (4.06, 7.72, 114.22 ppm; 3.67 A): 4 out of 5 assignments used, quality = 0.95: * HB2 SER 49 + H SER 49 OK 91 100 - 92 - 3.9=81, 2260/2.9=25...(8) HA GLU 16 + H SER 49 OK 16 84 - 20 - 4.1/6801=6, 4.1/6799=4...(7) HA ARG 46 + H SER 49 OK 14 73 - 19 - 3.6/9076=6, 10188/4.6=4...(5) HA GLU 17 + H SER 49 OK 14 99 - 14 - 2260/2.9=3, 3.9/6802=2...(6) HA LYS 20 - H SER 49 lone 9 98 - 10 - 2260/2.9=3, 2270/3.9=2 Peak 6805 from nnoeabs.peaks (3.86, 7.72, 114.22 ppm; 3.65 A): 3 out of 9 assignments used, quality = 0.92: * HB3 SER 49 + H SER 49 OK 90 100 - 90 - 3.9=79, 1.8/6804=23...(6) HA LYS 40 + H SER 49 OK 15 96 - 15 - 2261/2.9=3, 10619/3.6=2...(6) HA LYS 12 + H SER 49 OK 13 100 - 13 - 2261/2.9=3, 2.9/6806=2...(5) HA LYS 94 - H SER 49 lone 8 94 - 9 - 2261/2.9=2, 10619/3.6=1...(5) HA LEU 38 - H SER 49 lone 6 70 - 8 - 2261/2.9=1 HA ALA 67 - H SER 49 lone 5 100 - 4 - HA ALA 71 - H SER 49 lone 4 90 - 4 - HA2 GLY 100 - H SER 49 lone 3 94 - 3 - HA2 GLY 101 - H SER 49 lone 3 94 - 3 - Peak 6806 from nnoeabs.peaks (8.55, 7.72, 114.22 ppm; 3.92 A): 4 out of 4 assignments used, quality = 0.94: * H GLN 50 + H SER 49 OK 85 100 - 85 - 4.6=60, 2262/2.9=21...(10) H ASN 51 + H SER 49 OK 31 81 - 39 - 4.6/6808=12, 9110/2.9=11...(6) H VAL 58 + H SER 49 OK 28 98 - 28 - 12314/3.6=4, 3.0/10708=4...(9) H LYS 12 + H SER 49 OK 15 81 - 18 - 12314/3.6=5, 2.9/6805=3...(8) Peak 6807 from nnoeabs.peaks (8.55, 8.55, 120.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 50 + H GLN 50 OK 100 100 - 100 Peak 6808 from nnoeabs.peaks (7.72, 8.55, 120.13 ppm; 4.07 A): 3 out of 5 assignments used, quality = 0.93: * H SER 49 + H GLN 50 OK 89 100 - 89 - 4.6=68, 2.9/2262=22...(11) H ASN 60 + H GLN 50 OK 17 99 - 17 - 4.6/6957=3, 2258/3.6=2...(6) H LEU 64 + H GLN 50 OK 17 96 - 18 - 4.5/10755=4, 2258/3.6=4...(6) H ALA 25 - H GLN 50 poor 10 77 - 12 - 2258/3.6=3, 2263/4.3=2...(4) H GLU 37 - H GLN 50 lone 3 73 - 4 - Peak 6809 from nnoeabs.peaks (4.24, 8.55, 120.13 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 49 + H GLN 50 OK 100 100 - 100 - 3.6=100 HB THR 31 - H GLN 50 lone 9 99 - 9 - 2269/4.3=2, 9110/4.6=2...(4) Peak 6810 from nnoeabs.peaks (4.06, 8.55, 120.13 ppm; 4.46 A): 1 out of 5 assignments used, quality = 1.00: * HB2 SER 49 + H GLN 50 OK 100 100 - 100 - 4.3=100 HA GLU 17 - H GLN 50 OK 23 99 - 23 - 3.9/11027=4, 2.9/6813=4...(9) HA GLU 16 - H GLN 50 OK 19 84 - 22 - 3.0/6814=4, 4.1/10630=4...(8) HA LYS 20 - H GLN 50 OK 13 98 - 13 - 2260/3.6=3, 9109/4.6=3...(4) HA ARG 46 - H GLN 50 poor 7 73 - 10 - 6804/4.6=3, 2260/3.6=2 Peak 6811 from nnoeabs.peaks (3.86, 8.55, 120.13 ppm; 4.52 A): 1 out of 9 assignments used, quality = 1.00: * HB3 SER 49 + H GLN 50 OK 100 100 - 100 - 4.3=100 HA LYS 12 - H GLN 50 OK 23 100 - 23 - 380=4, 2261/3.6=3...(8) HA LYS 40 - H GLN 50 OK 18 96 - 18 - 2261/3.6=3, 6805/4.6=3...(7) HA LYS 94 - H GLN 50 OK 16 94 - 17 - 3.0/6813=4, 4173/4.0=3...(7) HA ALA 67 - H GLN 50 lone 7 100 - 7 - 9108/4.6=2 HA LEU 38 - H GLN 50 lone 5 70 - 8 - 2261/3.6=2, 9108/4.6=1 HA ALA 71 - H GLN 50 lone 4 90 - 5 - HA2 GLY 100 - H GLN 50 lone 4 94 - 5 - HA2 GLY 101 - H GLN 50 lone 4 94 - 4 - Peak 6812 from nnoeabs.peaks (4.40, 8.55, 120.13 ppm; 3.67 A): 1 out of 7 assignments used, quality = 1.00: * HA GLN 50 + H GLN 50 OK 100 100 - 100 - 3.0=100 HA MET 21 - H GLN 50 OK 30 84 - 36 - 3.0/6815=6, 3.9/6815=5...(15) HA MET 74 - H GLN 50 OK 17 99 - 18 - 9074/4.3=3, 9075/3.6=3...(6) HA ALA 25 - H GLN 50 poor 9 77 - 11 - 9075/3.6=2, 3.0/6808=2 HA VAL 32 - H GLN 50 poor 9 84 - 10 - 9075/3.6=2, 6828/4.6=1 HA HIS 106 - H GLN 50 lone 5 94 - 5 - HA SER 102 - H GLN 50 lone 1 65 - 2 - Peak 6813 from nnoeabs.peaks (2.02, 8.55, 120.13 ppm; 3.49 A): 3 out of 7 assignments used, quality = 0.88: * HB2 GLN 50 + H GLN 50 OK 84 100 - 84 - 4.0=65, 1.8/2289=16...(9) HB3 LYS 94 + H GLN 50 OK 14 100 - 13 - 2275/3.0=3, 3.0/6811=2...(7) HB3 GLU 17 + H GLN 50 OK 11 70 - 16 - 3.0/6816=3, 2.9/6810=3...(7) HB3 GLU 99 - H GLN 50 lone 7 81 - 9 - 2275/3.0=2, 3.0/6816=2 HG12 ILE 93 - H GLN 50 lone 7 81 - 8 - 2275/3.0=2, 2299/5.1=1 HB2 GLU 62 - H GLN 50 lone 4 96 - 4 - HB2 GLU 35 - H GLN 50 lone 2 73 - 3 - Peak 6814 from nnoeabs.peaks (2.17, 8.55, 120.13 ppm; 3.81 A): 1 out of 8 assignments used, quality = 0.95: * HB3 GLN 50 + H GLN 50 OK 95 100 - 95 - 4.0=85, 1.8/6813=27...(9) HB2 GLN 72 - H GLN 50 OK 23 90 - 26 - 2276/3.0=5, 3.0/6816=4...(10) HB3 GLU 16 - H GLN 50 OK 23 94 - 24 - 3.0/10630=3, 2289=3...(9) HG3 GLU 75 - H GLN 50 OK 15 100 - 15 - 2276/3.0=3, ~9623=2...(6) HG2 GLU 75 - H GLN 50 OK 15 100 - 15 - 2276/3.0=3, ~9623=2...(5) HB3 GLU 75 - H GLN 50 OK 11 77 - 14 - ~9623=3, ~9624=2...(6) HG2 GLU 43 - H GLN 50 lone 5 81 - 5 - 1.8/10630=1 HB3 GLU 95 - H GLN 50 lone 2 73 - 3 - Peak 6815 from nnoeabs.peaks (2.40, 8.55, 120.13 ppm; 3.79 A): 3 out of 4 assignments used, quality = 0.91: * HG2 GLN 50 + H GLN 50 OK 79 100 - 79 - 5.1=41, 2.9/6813=21...(9) HB3 MET 21 + H GLN 50 OK 37 100 - 37 - 2277/3.0=7, 2285/4.0=6...(12) HG3 MET 21 + H GLN 50 OK 35 100 - 35 - 2277/3.0=6, 2285/4.0=5...(15) HG3 MET 1 - H GLN 50 lone 4 65 - 5 - 6831/4.6=1 Peak 6816 from nnoeabs.peaks (2.43, 8.55, 120.13 ppm; 3.66 A): 6 out of 7 assignments used, quality = 0.95: * HG3 GLN 50 + H GLN 50 OK 77 100 - 77 - 5.1=37, 2.9/6813=19...(10) HG3 GLU 48 + H GLN 50 OK 43 100 - 44 - 4.1/12314=9, 3.0/10630=7...(15) HG2 GLN 72 + H GLN 50 OK 29 97 - 30 - 2278/3.0=5, 2305=5...(10) HG3 GLU 17 + H GLN 50 OK 24 100 - 23 - 11027=3, 3.0/6813=3...(10) HB2 ASP 11 + H GLN 50 OK 15 100 - 15 - 374=2, 3.0/369=2...(6) HG3 GLU 99 + H GLN 50 OK 13 97 - 13 - 3.0/6813=2, 2278/3.0=2...(6) HG3 MET 1 - H GLN 50 lone 6 84 - 8 - 6832/4.6=2 Peak 6818 from nnoeabs.peaks (8.53, 8.55, 120.13 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: H GLN 50 + H GLN 50 OK 81 81 - 100 Reference assignment not found: H ASN 51 - H GLN 50 Peak 6819 from nnoeabs.peaks (6.92, 6.92, 112.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 50 + HE21 GLN 50 OK 100 100 - 100 Peak 6821 from nnoeabs.peaks (4.40, 6.92, 112.80 ppm; 5.73 A): 1 out of 7 assignments used, quality = 1.00: * HA GLN 50 + HE21 GLN 50 OK 100 100 - 100 - 5.7=100 HA MET 21 - HE21 GLN 50 OK 42 84 - 50 - 3.0/6824=10, 2298/3.5=9...(9) HA MET 74 - HE21 GLN 50 OK 22 99 - 22 - 10865/4.5=5, 2298/3.5=4...(6) HA VAL 32 - HE21 GLN 50 OK 12 84 - 14 - 2298/3.5=2, 3.2/9094=2...(7) HA HIS 106 - HE21 GLN 50 lone 8 94 - 9 - 2298/3.5=2, 2282/4.5=1...(4) HA ALA 25 - HE21 GLN 50 lone 8 77 - 10 - 2298/3.5=2, 2282/4.5=1...(5) HA SER 102 - HE21 GLN 50 lone 2 65 - 3 - Peak 6823 from nnoeabs.peaks (2.17, 6.92, 112.80 ppm; 5.69 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 50 + HE21 GLN 50 OK 100 100 - 100 - 4.5=100 HB2 GLN 72 - HE21 GLN 50 OK 41 90 - 47 - 2300/3.5=9, 3.0/10624=9...(9) HG3 GLU 75 - HE21 GLN 50 OK 20 100 - 20 - 9622/5.7=4, 9089/1.7=4...(7) HG2 GLU 75 - HE21 GLN 50 OK 20 100 - 20 - 9622/5.7=4, 9089/1.7=4...(7) HB3 GLU 16 - HE21 GLN 50 OK 18 94 - 19 - 9089/1.7=4, 2300/3.5=3...(6) HB3 GLU 75 - HE21 GLN 50 OK 11 77 - 15 - ~9089=3, 2276/5.7=2...(6) HG2 GLU 43 - HE21 GLN 50 lone 7 81 - 8 - 8058/12038=2, 9089/1.7=1 HB3 GLU 95 - HE21 GLN 50 lone 4 73 - 5 - Peak 6824 from nnoeabs.peaks (2.40, 6.92, 112.80 ppm; 4.10 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 50 + HE21 GLN 50 OK 100 100 - 100 - 3.5=100 HB3 MET 21 - HE21 GLN 50 OK 35 100 - 35 - 9088/1.7=8, 2285/4.5=6...(9) HG3 MET 21 - HE21 GLN 50 OK 30 100 - 30 - 9088/1.7=7, 2285/4.5=5...(8) HG3 MET 1 - HE21 GLN 50 lone 3 65 - 4 - Peak 6825 from nnoeabs.peaks (2.43, 6.92, 112.80 ppm; 4.04 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLN 50 + HE21 GLN 50 OK 100 100 - 100 - 3.5=100 HG2 GLN 72 - HE21 GLN 50 OK 31 97 - 32 - 2302/3.5=7, 9087/1.7=6...(9) HG3 GLU 48 - HE21 GLN 50 OK 26 100 - 26 - 9087/1.7=6, ~2230=3...(10) HG3 GLU 17 - HE21 GLN 50 OK 16 100 - 16 - 9087/1.7=3, 2286/4.5=2...(8) HG3 GLU 99 - HE21 GLN 50 lone 9 97 - 9 - 9087/1.7=2, 2302/3.5=1...(5) HB2 ASP 11 - HE21 GLN 50 lone 9 100 - 8 - 9087/1.7=2, 374/6.6=2...(4) HG3 MET 1 - HE21 GLN 50 lone 5 84 - 6 - 8056/9093=1 Peak 6826 from nnoeabs.peaks (8.53, 8.53, 118.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 51 + H ASN 51 OK 100 100 - 100 Peak 6827 from nnoeabs.peaks (8.55, 8.53, 118.16 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: H ASN 51 + H ASN 51 OK 81 81 - 100 Reference assignment not found: H GLN 50 - H ASN 51 Peak 6828 from nnoeabs.peaks (4.40, 8.53, 118.16 ppm; 3.50 A): 1 out of 7 assignments used, quality = 0.97: * HA GLN 50 + H ASN 51 OK 97 100 - 97 - 3.6=94, 3.0/6829=14...(9) HA MET 21 - H ASN 51 OK 29 84 - 35 - 3.0/6838=5, 3.0/6831=5...(12) HA VAL 32 - H ASN 51 OK 12 84 - 14 - 3.0/11125=8 HA MET 74 - H ASN 51 lone 8 99 - 9 - 10865/4.6=2, 6812/4.6=2 HA ALA 25 - H ASN 51 lone 4 77 - 5 - HA HIS 106 - H ASN 51 lone 3 94 - 4 - HA SER 102 - H ASN 51 lone 1 65 - 1 - Peak 6829 from nnoeabs.peaks (2.02, 8.53, 118.16 ppm; 4.13 A): 3 out of 7 assignments used, quality = 0.92: * HB2 GLN 50 + H ASN 51 OK 90 100 - 90 - 4.6=70, 1.8/6830=24...(8) HB3 LYS 94 + H ASN 51 OK 13 100 - 13 - 2275/3.6=3, 6813/4.6=3...(4) HB3 GLU 17 + H ASN 51 OK 10 70 - 15 - 3.0/6832=3, 2275/3.6=3...(5) HG12 ILE 93 - H ASN 51 poor 9 81 - 11 - 2.1/9107=4, 2275/3.6=2...(4) HB3 GLU 99 - H ASN 51 lone 6 81 - 8 - 2275/3.6=2, 3.0/6832=1 HB2 GLU 62 - H ASN 51 lone 4 96 - 4 - HB2 GLU 35 - H ASN 51 lone 2 73 - 3 - Peak 6830 from nnoeabs.peaks (2.17, 8.53, 118.16 ppm; 4.07 A): 3 out of 8 assignments used, quality = 0.91: * HB3 GLN 50 + H ASN 51 OK 88 100 - 88 - 4.6=68, 1.8/6829=25...(8) HB2 GLN 72 + H ASN 51 OK 15 90 - 17 - 2276/3.6=4, 3.0/6832=4...(5) HB3 GLU 16 + H ASN 51 OK 13 94 - 14 - 2276/3.6=3, 6814/4.6=3...(5) HG3 GLU 75 - H ASN 51 lone 8 100 - 8 - 2276/3.6=3, 6814/4.6=2 HG2 GLU 75 - H ASN 51 lone 8 100 - 8 - 2276/3.6=3, 6814/4.6=2 HB3 GLU 75 - H ASN 51 lone 5 77 - 6 - 2276/3.6=2, 6814/4.6=1 HG2 GLU 43 - H ASN 51 lone 2 81 - 3 - HB3 GLU 95 - H ASN 51 lone 2 73 - 2 - Peak 6831 from nnoeabs.peaks (2.40, 8.53, 118.16 ppm; 4.52 A): 3 out of 4 assignments used, quality = 0.95: * HG2 GLN 50 + H ASN 51 OK 78 100 - 78 - 2304=24, 2.9/6829=24...(9) HB3 MET 21 + H ASN 51 OK 52 100 - 52 - 3.0/6835=9, 2277/3.6=9...(12) HG3 MET 21 + H ASN 51 OK 50 100 - 50 - 1.8/6835=10, 2277/3.6=8...(12) HG3 MET 1 - H ASN 51 OK 16 65 - 24 - ~8032=16, 9122/5.7=3, 9117/5.7=3 Peak 6832 from nnoeabs.peaks (2.43, 8.53, 118.16 ppm; 4.48 A): 7 out of 7 assignments used, quality = 0.95: * HG3 GLN 50 + H ASN 51 OK 77 100 - 77 - 2.9/6829=23, 2.9/6830=22...(8) HG3 GLU 48 + H ASN 51 OK 33 100 - 33 - 10633/4.0=6, 6816/4.6=6...(9) HG2 GLN 72 + H ASN 51 OK 29 97 - 30 - 2278/3.6=6, 2286/4.6=6...(8) HG3 MET 1 + H ASN 51 OK 23 84 - 27 - ~8032=16, 10633/4.0=7 HG3 GLU 17 + H ASN 51 OK 22 100 - 22 - 11027/4.6=3, 2278/3.6=3...(8) HG3 GLU 99 + H ASN 51 OK 11 97 - 11 - 2278/3.6=2, 6816/4.6=2...(5) HB2 ASP 11 + H ASN 51 OK 10 100 - 10 - 374/4.6=4, 2278/3.6=2...(4) Peak 6834 from nnoeabs.peaks (4.98, 8.53, 118.16 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 51 + H ASN 51 OK 100 100 - 100 - 3.0=100 Peak 6835 from nnoeabs.peaks (2.95, 8.53, 118.16 ppm; 3.70 A): 2 out of 11 assignments used, quality = 0.94: * HB2 ASN 51 + H ASN 51 OK 91 100 - 91 - 4.0=78, 1.8/6836=31...(6) HG2 MET 21 + H ASN 51 OK 36 98 - 37 - 1.8/6831=7, 3.0/6831=6...(10) HE3 LYS 73 - H ASN 51 lone 9 100 - 9 - 2315/3.0=2, 6855/4.6=1...(4) HE2 LYS 73 - H ASN 51 lone 9 99 - 9 - 2315/3.0=2, 6855/4.6=1...(4) HE3 LYS 90 - H ASN 51 lone 4 92 - 4 - HB2 ASN 10 - H ASN 51 lone 4 65 - 5 - 2315/3.0=1 HE3 LYS 13 - H ASN 51 lone 3 87 - 3 - HE2 LYS 13 - H ASN 51 lone 2 81 - 3 - HE2 LYS 24 - H ASN 51 lone 2 73 - 2 - HE3 LYS 24 - H ASN 51 lone 2 73 - 2 - HE3 LYS 12 - H ASN 51 lone 1 61 - 2 - Peak 6836 from nnoeabs.peaks (2.67, 8.53, 118.16 ppm; 3.38 A): 3 out of 3 assignments used, quality = 0.83: * HB3 ASN 51 + H ASN 51 OK 78 100 - 78 - 4.0=59, 1.8/2320=19...(7) HD3 ARG 91 + H ASN 51 OK 12 84 - 14 - 2316/3.0=4, 2323/4.0=2...(6) HD2 ARG 30 + H ASN 51 OK 12 100 - 12 - 2316/3.0=4, 2323/4.0=2...(6) Peak 6838 from nnoeabs.peaks (7.68, 8.53, 118.16 ppm; 5.14 A): 2 out of 3 assignments used, quality = 0.97: * HD22 ASN 51 + H ASN 51 OK 93 100 - 93 - 5.7=74, 3.5/6836=34...(7) H MET 21 + H ASN 51 OK 58 100 - 59 - 2325/4.0=12, 2318/3.0=10...(11) H SER 85 - H ASN 51 OK 17 100 - 16 - 2318/3.0=3, 2325/4.0=3...(5) Peak 6839 from nnoeabs.peaks (7.49, 8.53, 118.16 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.78: * H ILE 52 + H ASN 51 OK 78 100 - 78 - 4.6=46, 6854/3.0=33...(9) HZ2 TRP 92 - H ASN 51 lone 9 100 - 9 - 2319/3.0=2, 2326/4.0=2 Peak 6840 from nnoeabs.peaks (6.98, 6.98, 112.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 51 + HD21 ASN 51 OK 100 100 - 100 Peak 6841 from nnoeabs.peaks (8.53, 6.98, 112.98 ppm; 5.07 A): 2 out of 3 assignments used, quality = 0.94: * H ASN 51 + HD21 ASN 51 OK 91 100 - 91 - 5.7=71, 6836/3.5=33...(7) H GLN 50 + HD21 ASN 51 OK 37 81 - 46 - 6847/1.7=11, 2327/3.5=10...(10) H VAL 58 - HD21 ASN 51 OK 21 96 - 22 - 6847/1.7=6, 2327/3.5=4...(5) Peak 6842 from nnoeabs.peaks (4.98, 6.98, 112.98 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 51 + HD21 ASN 51 OK 100 100 - 100 - 4.4=100 Peak 6843 from nnoeabs.peaks (2.95, 6.98, 112.98 ppm; 4.09 A): 2 out of 11 assignments used, quality = 1.00: * HB2 ASN 51 + HD21 ASN 51 OK 100 100 - 100 - 3.5=100 HG2 MET 21 + HD21 ASN 51 OK 54 98 - 55 - 977/1.7=13, ~960=7...(17) HE3 LYS 73 - HD21 ASN 51 OK 14 100 - 14 - 6849/1.7=3, ~6849=2...(6) HB2 ASN 10 - HD21 ASN 51 OK 14 65 - 21 - 1.8/362=6, 355=3...(8) HE2 LYS 73 - HD21 ASN 51 OK 13 99 - 13 - 6849/1.7=2, ~6849=2...(6) HE3 LYS 90 - HD21 ASN 51 lone 5 92 - 6 - 6849/1.7=1 HE3 LYS 13 - HD21 ASN 51 lone 5 87 - 6 - 6.0/9130=1, 3.8/9119=1 HE2 LYS 13 - HD21 ASN 51 lone 5 81 - 5 - 6.0/9130=1, 3.8/9119=1 HE2 LYS 24 - HD21 ASN 51 lone 2 73 - 3 - HE3 LYS 24 - HD21 ASN 51 lone 2 73 - 3 - HE3 LYS 12 - HD21 ASN 51 lone 1 61 - 1 - Peak 6844 from nnoeabs.peaks (2.67, 6.98, 112.98 ppm; 3.98 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 51 + HD21 ASN 51 OK 100 100 - 100 - 3.5=100 HD3 ARG 91 - HD21 ASN 51 OK 29 84 - 35 - 6850/1.7=7, 3.5/12239=4...(15) HD2 ARG 30 - HD21 ASN 51 OK 22 100 - 22 - 6850/1.7=6, 2323/3.5=4...(8) Peak 6845 from nnoeabs.peaks (7.68, 6.98, 112.98 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HD22 ASN 51 + HD21 ASN 51 OK 100 100 - 100 - 1.7=100 H MET 21 - HD21 ASN 51 OK 14 100 - 14 - 2325/3.5=3, 2332/3.5=2...(7) H SER 85 - HD21 ASN 51 lone 3 100 - 3 - Peak 6846 from nnoeabs.peaks (7.68, 7.68, 112.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 51 + HD22 ASN 51 OK 100 100 - 100 Peak 6847 from nnoeabs.peaks (8.53, 7.68, 112.98 ppm; 5.00 A): 2 out of 3 assignments used, quality = 0.94: * H ASN 51 + HD22 ASN 51 OK 90 100 - 90 - 5.7=68, 6836/3.5=33...(6) H GLN 50 + HD22 ASN 51 OK 41 81 - 51 - 4.6/6838=14, 6841/1.7=10...(10) H VAL 58 - HD22 ASN 51 OK 22 96 - 22 - 6841/1.7=6, 2327/3.5=4...(6) Peak 6848 from nnoeabs.peaks (4.98, 7.68, 112.98 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 51 + HD22 ASN 51 OK 100 100 - 100 - 4.4=100 Peak 6849 from nnoeabs.peaks (2.95, 7.68, 112.98 ppm; 3.75 A): 2 out of 11 assignments used, quality = 1.00: * HB2 ASN 51 + HD22 ASN 51 OK 100 100 - 100 - 3.5=100 HG2 MET 21 + HD22 ASN 51 OK 55 98 - 56 - 977=14, 3.0/960=9...(16) HE3 LYS 73 - HD22 ASN 51 OK 12 100 - 12 - 6843/1.7=2, ~6843=1...(5) HE2 LYS 73 - HD22 ASN 51 OK 12 99 - 12 - 6843/1.7=2, ~6843=1...(5) HB2 ASN 10 - HD22 ASN 51 OK 10 65 - 15 - ~362=3, 355/1.7=2...(7) HE3 LYS 90 - HD22 ASN 51 lone 6 92 - 6 - HE3 LYS 13 - HD22 ASN 51 lone 4 87 - 4 - HE2 LYS 13 - HD22 ASN 51 lone 3 81 - 4 - HE2 LYS 24 - HD22 ASN 51 lone 2 73 - 3 - HE3 LYS 24 - HD22 ASN 51 lone 2 73 - 3 - HE3 LYS 12 - HD22 ASN 51 lone 1 61 - 1 - Peak 6850 from nnoeabs.peaks (2.67, 7.68, 112.98 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 51 + HD22 ASN 51 OK 100 100 - 100 - 3.5=100 HD3 ARG 91 - HD22 ASN 51 OK 24 84 - 29 - 6844/1.7=6, 2323/3.5=3...(14) HD2 ARG 30 - HD22 ASN 51 OK 18 100 - 18 - 6844/1.7=5, 2323/3.5=3...(8) Peak 6851 from nnoeabs.peaks (6.98, 7.68, 112.98 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HD21 ASN 51 + HD22 ASN 51 OK 100 100 - 100 - 1.7=100 HD21 ASN 10 - HD22 ASN 51 lone 6 98 - 6 - 2324/3.5=1 HE ARG 91 - HD22 ASN 51 lone 4 61 - 7 - 2.9/6850=2, ~6844=1 HE2 PHE 96 - HD22 ASN 51 lone 0 65 - 1 - HE1 PHE 96 - HD22 ASN 51 lone 0 57 - 1 - Peak 6852 from nnoeabs.peaks (7.49, 7.49, 117.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 52 + H ILE 52 OK 100 100 - 100 Peak 6853 from nnoeabs.peaks (8.53, 7.49, 117.93 ppm; 3.55 A): 3 out of 3 assignments used, quality = 0.85: * H ASN 51 + H ILE 52 OK 76 100 - 76 - 4.6=45, 3.0/6854=32...(8) H GLN 50 + H ILE 52 OK 30 81 - 37 - 4.6/6839=15, 3.6/9078=7...(8) H VAL 58 + H ILE 52 OK 13 96 - 13 - 10200/3.0=3, 2313/3.6=2...(5) Peak 6854 from nnoeabs.peaks (4.98, 7.49, 117.93 ppm; 3.03 A): 1 out of 1 assignment used, quality = 0.76: * HA ASN 51 + H ILE 52 OK 76 100 - 76 - 3.6=61, 3.0/6839=18...(5) Peak 6855 from nnoeabs.peaks (2.95, 7.49, 117.93 ppm; 4.29 A): 1 out of 11 assignments used, quality = 0.95: * HB2 ASN 51 + H ILE 52 OK 95 100 - 95 - 4.6=80, 3.0/6854=42...(8) HG2 MET 21 - H ILE 52 OK 26 98 - 27 - 2315/3.6=6, 6835/4.6=5...(8) HE2 LYS 73 - H ILE 52 OK 14 99 - 15 - 3.0/6860=2, 3.0/6860=2...(7) HE3 LYS 73 - H ILE 52 OK 14 100 - 14 - 3.0/6860=2, 3.0/6860=2...(7) HE3 LYS 13 - H ILE 52 lone 4 87 - 5 - HE3 LYS 90 - H ILE 52 lone 4 92 - 4 - HE2 LYS 13 - H ILE 52 lone 4 81 - 4 - HB2 ASN 10 - H ILE 52 lone 3 65 - 5 - 2315/3.6=1 HE3 LYS 12 - H ILE 52 lone 3 61 - 5 - HE2 LYS 24 - H ILE 52 lone 3 73 - 4 - HE3 LYS 24 - H ILE 52 lone 3 73 - 4 - Peak 6856 from nnoeabs.peaks (2.67, 7.49, 117.93 ppm; 4.37 A): 1 out of 3 assignments used, quality = 0.96: * HB3 ASN 51 + H ILE 52 OK 96 100 - 96 - 4.6=85, 3.0/6854=43...(6) HD3 ARG 91 - H ILE 52 OK 16 84 - 19 - 2316/3.6=5, 2323/4.6=3...(5) HD2 ARG 30 - H ILE 52 OK 14 100 - 14 - 2316/3.6=5, 6836/4.6=3...(4) Peak 6859 from nnoeabs.peaks (5.34, 7.49, 117.93 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 52 + H ILE 52 OK 100 100 - 100 - 3.0=100 HA THR 80 - H ILE 52 OK 44 98 - 45 - 2343/3.8=8, 2334=7...(14) Peak 6860 from nnoeabs.peaks (1.67, 7.49, 117.93 ppm; 3.48 A): 6 out of 15 assignments used, quality = 0.94: * HB ILE 52 + H ILE 52 OK 90 100 - 90 - 3.8=75, 2.1/2350=19...(10) HB3 LYS 53 + H ILE 52 OK 14 77 - 18 - 6869/4.4=5, 2336/3.0=2...(8) HG3 LYS 20 + H ILE 52 OK 13 99 - 13 - 1.8/6863=2, 2352/4.0=2...(7) HD3 LYS 73 + H ILE 52 OK 11 99 - 11 - 10854/4.0=2, 3.0/6855=2...(4) HD3 LYS 20 + H ILE 52 OK 10 99 - 10 - 2.8/6863=2, 2352/4.0=1...(4) HD2 LYS 73 + H ILE 52 OK 10 100 - 10 - 3.0/6855=2, 3.0/6855=2...(4) HD2 LYS 20 - H ILE 52 poor 10 97 - 10 - 2.8/6863=2, 2352/4.0=1...(4) HB3 ARG 91 - H ILE 52 poor 10 87 - 11 - 3.5/6856=2, 2.8/6863=2 HB3 LYS 40 - H ILE 52 lone 6 84 - 8 - HD2 LYS 47 - H ILE 52 lone 4 92 - 4 - HD3 LYS 47 - H ILE 52 lone 4 90 - 4 - HD2 LYS 39 - H ILE 52 lone 2 73 - 3 - HB3 ARG 79 - H ILE 52 lone 2 73 - 2 - HD2 LYS 68 - H ILE 52 lone 1 65 - 2 - HD3 LYS 68 - H ILE 52 lone 1 61 - 2 - Peak 6861 from nnoeabs.peaks (0.78, 7.49, 117.93 ppm; 3.49 A): 4 out of 9 assignments used, quality = 0.93: * QG2 ILE 52 + H ILE 52 OK 86 100 - 86 - 4.0=66, 2.1/6860=16...(12) QG2 ILE 8 + H ILE 52 OK 25 96 - 27 - 2350=4, 3.1/9153=3...(12) QD2 LEU 42 + H ILE 52 OK 23 87 - 27 - 10599/5.1=7, 2.1/6864=4...(9) QD1 LEU 6 + H ILE 52 OK 19 96 - 20 - 2.1/6864=3, 232/4.4=3...(8) QG1 VAL 54 - H ILE 52 poor 9 70 - 13 - 10654/5.1=4, 6870/4.4=2...(5) QD1 LEU 27 - H ILE 52 lone 9 92 - 10 - 2337/3.0=2, 6870/4.4=2 QD1 ILE 93 - H ILE 52 lone 8 94 - 9 - 9107/4.6=2, 10024/4.6=1 QD2 LEU 57 - H ILE 52 lone 6 70 - 8 - 10636/4.6=1, 9116/4.6=1 QD1 ILE 15 - H ILE 52 lone 2 61 - 4 - Peak 6862 from nnoeabs.peaks (1.04, 7.49, 117.93 ppm; 3.75 A): 3 out of 3 assignments used, quality = 0.87: * HG12 ILE 52 + H ILE 52 OK 78 100 - 78 - 5.1=41, 1.8/2366=20...(9) HB3 ARG 81 + H ILE 52 OK 24 73 - 32 - 2346/3.8=4, ~9156=4...(11) HB3 LEU 55 + H ILE 52 OK 19 81 - 24 - 2346/3.8=4, 2354/4.0=3...(9) Peak 6863 from nnoeabs.peaks (1.46, 7.49, 117.93 ppm; 3.82 A): 4 out of 14 assignments used, quality = 0.91: * HG13 ILE 52 + H ILE 52 OK 80 100 - 81 - 5.1=43, 1.8/6862=25...(9) HG LEU 38 + H ILE 52 OK 25 100 - 25 - 2366=8, 2367/3.0=4...(8) HB2 LEU 38 + H ILE 52 OK 21 100 - 21 - 3.0/2366=4, 8856/4.8=4...(8) HD2 LYS 53 + H ILE 52 OK 20 100 - 20 - 2437/4.4=7, 12114/8037=2...(8) HG2 LYS 53 - H ILE 52 OK 19 98 - 20 - 2415/4.4=5, 3.0/6860=2...(10) HG3 ARG 91 - H ILE 52 OK 18 99 - 18 - 2.9/6856=3, 4060/4.6=3...(7) HG3 LYS 53 - H ILE 52 OK 17 90 - 19 - 2426/4.4=4, 3.0/6860=2...(10) HG2 LYS 20 - H ILE 52 OK 17 100 - 17 - 1.8/6860=3, 2.8/6860=2...(10) HB2 LEU 27 - H ILE 52 OK 11 100 - 11 - 1194/4.0=2, 3.1/6861=1...(4) HD2 LYS 40 - H ILE 52 lone 9 97 - 9 - 2347/3.8=1 HD3 LYS 40 - H ILE 52 lone 9 96 - 9 - 2347/3.8=1 HD2 LYS 82 - H ILE 52 lone 6 100 - 6 - HG2 LYS 12 - H ILE 52 lone 3 87 - 4 - HG3 LYS 39 - H ILE 52 lone 3 73 - 4 - Peak 6864 from nnoeabs.peaks (0.69, 7.49, 117.93 ppm; 4.28 A): 2 out of 8 assignments used, quality = 0.95: * QD1 ILE 52 + H ILE 52 OK 93 100 - 93 - 4.8=71, 2.1/6862=27...(11) QD1 LEU 42 + H ILE 52 OK 34 98 - 35 - 2348/3.8=6, 2.1/6861=5...(9) QD2 LEU 6 - H ILE 52 OK 30 96 - 32 - 224/4.4=6, 2348/3.8=4...(8) QD1 ILE 8 - H ILE 52 OK 23 77 - 30 - 2.1/9153=6, 3.0/6861=5...(11) QD1 ILE 56 - H ILE 52 OK 21 84 - 25 - ~9155=7, ~9307=5...(8) QG2 VAL 58 - H ILE 52 poor 7 61 - 12 - 4.0/6853=3, 2661/4.6=1 QD2 LEU 14 - H ILE 52 lone 7 81 - 9 - 2348/3.8=1, 2340/3.0=1 QD1 LEU 14 - H ILE 52 lone 6 70 - 9 - 2348/3.8=1 Peak 6865 from nnoeabs.peaks (8.47, 7.49, 117.93 ppm; 4.71 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 53 + H ILE 52 OK 100 100 - 100 - 4.4=100 H ILE 7 - H ILE 52 OK 32 94 - 34 - 2381/4.8=6, 2349/3.8=6...(8) H VAL 32 - H ILE 52 OK 24 84 - 28 - 3.0/9139=5, 2349/3.8=4...(9) H ALA 67 - H ILE 52 OK 14 84 - 17 - 2349/3.8=3, 2341/3.0=3...(7) H LEU 29 - H ILE 52 lone 7 73 - 10 - 2349/3.8=1, 2381/4.8=1...(5) Peak 6866 from nnoeabs.peaks (8.47, 8.47, 123.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 53 + H LYS 53 OK 100 100 - 100 Peak 6867 from nnoeabs.peaks (7.49, 8.47, 123.25 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 52 + H LYS 53 OK 100 100 - 100 - 4.4=100 HZ2 TRP 92 - H LYS 53 OK 29 100 - 29 - 2342/4.5=8, 2334/3.6=8...(7) Peak 6868 from nnoeabs.peaks (5.34, 8.47, 123.25 ppm; 3.02 A): 2 out of 2 assignments used, quality = 0.81: * HA ILE 52 + H LYS 53 OK 76 100 - 76 - 3.6=61, 3.0/2349=9...(11) HA THR 80 + H LYS 53 OK 21 98 - 21 - 2341=5, 2343/4.5=4...(6) Peak 6869 from nnoeabs.peaks (1.67, 8.47, 123.25 ppm; 3.36 A): 6 out of 15 assignments used, quality = 0.95: * HB ILE 52 + H LYS 53 OK 77 100 - 77 - 4.5=40, 3.0/6868=23...(14) HB3 LYS 53 + H LYS 53 OK 60 77 - 77 - 3.9=63, 3.0/2426=6...(15) HG3 LYS 20 + H LYS 53 OK 17 99 - 17 - 1.8/6872=2, 2385/3.0=1...(9) HD3 LYS 20 + H LYS 53 OK 13 99 - 13 - 2.8/2415=1, 2385/3.0=1 HD2 LYS 20 + H LYS 53 OK 12 97 - 13 - 2.8/2415=1, 2385/3.0=1 HB3 LYS 40 + H LYS 53 OK 12 84 - 14 - 2.9/9183=2, 8114/9182=1...(4) HB3 ARG 91 - H LYS 53 lone 8 87 - 10 - 2396/3.9=1 HD2 LYS 73 - H LYS 53 lone 5 100 - 5 - 10854/4.3=1 HD3 LYS 73 - H LYS 53 lone 5 99 - 5 - 10854/4.3=1 HD2 LYS 68 - H LYS 53 lone 4 65 - 7 - 3.5/6875=3 HD3 LYS 68 - H LYS 53 lone 4 61 - 6 - 3.5/6875=3 HD2 LYS 47 - H LYS 53 lone 3 92 - 3 - HD3 LYS 47 - H LYS 53 lone 3 90 - 3 - HB3 ARG 79 - H LYS 53 lone 3 73 - 4 - HD2 LYS 39 - H LYS 53 lone 2 73 - 2 - Peak 6870 from nnoeabs.peaks (0.78, 8.47, 123.25 ppm; 3.63 A): 3 out of 9 assignments used, quality = 0.94: * QG2 ILE 52 + H LYS 53 OK 87 100 - 87 - 4.3=59, 3.2/6868=24...(15) QD1 LEU 6 + H LYS 53 OK 37 96 - 39 - 2.1/224=7, 3.1/9183=6...(11) QG1 VAL 54 + H LYS 53 OK 30 70 - 43 - ~9231=13, ~9232=8...(9) QG2 ILE 8 - H LYS 53 OK 21 96 - 22 - 4.0/6086=3, 2337/3.6=3...(9) QD1 LEU 27 - H LYS 53 OK 21 92 - 23 - 10135/9182=5...(6) QD2 LEU 42 - H LYS 53 OK 20 87 - 24 - 3.1/9184=4, 2.1/6873=3...(7) QD1 ILE 93 - H LYS 53 lone 9 94 - 9 - 5.0/11098=2, 4162/11098=1 QD2 LEU 57 - H LYS 53 lone 6 70 - 8 - 3.1/6875=1, 4.6/10685=1 QD1 ILE 15 - H LYS 53 lone 3 61 - 5 - Peak 6871 from nnoeabs.peaks (1.04, 8.47, 123.25 ppm; 4.48 A): 3 out of 3 assignments used, quality = 0.89: * HG12 ILE 52 + H LYS 53 OK 84 100 - 85 - 3.8/6868=29, 2365=20...(18) HB3 LEU 55 + H LYS 53 OK 16 81 - 20 - 2346/4.5=5, 2354/4.3=4...(4) HB3 ARG 81 + H LYS 53 OK 16 73 - 22 - 2346/4.5=5, 6862/4.4=5...(4) Peak 6872 from nnoeabs.peaks (1.46, 8.47, 123.25 ppm; 3.65 A): 4 out of 14 assignments used, quality = 0.99: HG2 LYS 53 + H LYS 53 OK 77 98 - 78 - 5.0=38, 3.0/6876=9...(21) HD2 LYS 53 + H LYS 53 OK 75 100 - 75 - 5.9=24, 2438/3.0=16...(22) * HG13 ILE 52 + H LYS 53 OK 70 100 - 70 - 3.8/6868=21, 1.8/6871=18...(13) HG3 LYS 53 + H LYS 53 OK 70 90 - 78 - 5.0=38, 3.0/6876=9...(21) HG2 LYS 20 - H LYS 53 OK 21 100 - 22 - 1.8/6869=3, 2416/3.0=2...(13) HD2 LYS 82 - H LYS 53 OK 17 100 - 17 - ~10935=2, ~10937=2...(7) HG LEU 38 - H LYS 53 OK 17 100 - 17 - 2367/3.6=3, 2373=3...(6) HD2 LYS 40 - H LYS 53 OK 17 97 - 17 - 3.0/9183=3, 3.5/6876=2...(5) HD3 LYS 40 - H LYS 53 OK 16 96 - 17 - 3.0/9183=3, 3.5/6876=2...(5) HB2 LEU 27 - H LYS 53 OK 15 100 - 15 - 3.1/6870=2, 1194/4.3=2 HB2 LEU 38 - H LYS 53 OK 13 100 - 13 - 3.0/2373=2, 2347/4.5=2...(5) HG3 ARG 91 - H LYS 53 OK 12 99 - 12 - 6863/4.4=1, 2.8/6876=1...(4) HG2 LYS 12 - H LYS 53 lone 3 87 - 4 - HG3 LYS 39 - H LYS 53 lone 3 73 - 4 - Peak 6873 from nnoeabs.peaks (0.69, 8.47, 123.25 ppm; 4.52 A): 3 out of 8 assignments used, quality = 0.96: * QD1 ILE 52 + H LYS 53 OK 86 100 - 86 - 4.1/6868=28, 2.1/6871=27...(17) QD2 LEU 6 + H LYS 53 OK 54 96 - 57 - 3.1/9183=11, 224=10...(15) QD1 LEU 42 + H LYS 53 OK 35 98 - 35 - 3.1/9184=6, 2348/4.5=6...(9) QD1 ILE 8 - H LYS 53 OK 21 77 - 28 - 3.0/6870=4, 5.0/6086=4...(12) QD1 ILE 56 - H LYS 53 OK 12 84 - 15 - 6864/4.4=2, 2340/3.6=2...(5) QD2 LEU 14 - H LYS 53 poor 10 81 - 12 - 2340/3.6=1, 2348/4.5=1 QD1 LEU 14 - H LYS 53 poor 9 70 - 12 - 3.1/241=1 QG2 VAL 58 - H LYS 53 lone 6 61 - 9 - Peak 6874 from nnoeabs.peaks (5.04, 8.47, 123.25 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 53 + H LYS 53 OK 100 100 - 100 - 3.0=100 HA SER 59 - H LYS 53 poor 9 61 - 14 - 2405/3.9=2, 2394/3.9=2...(5) Peak 6875 from nnoeabs.peaks (1.84, 8.47, 123.25 ppm; 4.21 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 53 + H LYS 53 OK 100 100 - 100 - 3.9=100 HB3 LYS 90 - H LYS 53 OK 29 97 - 30 - 2384/3.0=7, 2406/3.9=6...(10) HB2 LYS 68 - H LYS 53 OK 26 100 - 26 - 2384/3.0=5, 6887/4.7=4...(10) HG2 ARG 46 - H LYS 53 OK 13 73 - 17 - 2406/3.9=3, 2439/5.9=3...(7) HB3 LEU 57 - H LYS 53 poor 9 70 - 13 - 3.9/10685=2, 8272/9178=1 Peak 6876 from nnoeabs.peaks (1.69, 8.47, 123.25 ppm; 3.36 A): 2 out of 22 assignments used, quality = 0.91: * HB3 LYS 53 + H LYS 53 OK 79 100 - 79 - 3.9=63, 2414/4.7=7...(17) HB ILE 52 + H LYS 53 OK 59 77 - 76 - 4.5=40, 3.0/6868=23...(14) HB3 LYS 40 - H LYS 53 OK 16 100 - 16 - 2.9/9183=2, 2396/3.9=2...(4) HG3 LYS 20 - H LYS 53 OK 15 90 - 17 - 2385/3.0=2, 2396/3.9=2...(6) HB2 LEU 2 - H LYS 53 OK 13 73 - 18 - 8046/3.6=5, 12274/4.3=3...(4) HD2 LYS 20 - H LYS 53 OK 13 96 - 13 - 2385/3.0=1, 2396/3.9=1 HD3 LYS 20 - H LYS 53 OK 12 90 - 13 - 2385/3.0=1, 2.8/2415=1 HD3 LYS 90 - H LYS 53 OK 10 90 - 12 - 3.6/6875=3, 2396/3.9=2 HB3 ARG 91 - H LYS 53 OK 10 100 - 10 - 2396/3.9=1, 2385/3.0=1 HD3 LYS 66 - H LYS 53 lone 5 73 - 7 - HG2 PRO 86 - H LYS 53 lone 5 97 - 5 - HG12 ILE 15 - H LYS 53 lone 4 96 - 5 - HD3 LYS 47 - H LYS 53 lone 3 99 - 3 - HD2 LYS 47 - H LYS 53 lone 3 99 - 3 - HD2 LYS 12 - H LYS 53 lone 2 77 - 3 - HD3 LYS 12 - H LYS 53 lone 2 77 - 3 - HD2 LYS 73 - H LYS 53 lone 2 65 - 3 - HD2 LYS 24 - H LYS 53 lone 2 92 - 2 - HD3 LYS 24 - H LYS 53 lone 2 90 - 2 - HG LEU 70 - H LYS 53 lone 2 84 - 2 - HD2 LYS 13 - H LYS 53 lone 1 77 - 2 - HD3 LYS 13 - H LYS 53 lone 1 70 - 1 - Peak 6877 from nnoeabs.peaks (1.46, 8.47, 123.25 ppm; 3.65 A): 4 out of 14 assignments used, quality = 1.00: * HG2 LYS 53 + H LYS 53 OK 79 100 - 79 - 5.0=38, 3.0/6876=9...(21) HG3 LYS 53 + H LYS 53 OK 77 99 - 78 - 5.0=38, 3.0/6876=9...(21) HD2 LYS 53 + H LYS 53 OK 75 99 - 75 - 5.9=24, 2438/3.0=16...(22) HG13 ILE 52 + H LYS 53 OK 68 98 - 70 - 3.8/6868=21, 1.8/6871=18...(13) HG2 LYS 20 - H LYS 53 OK 21 98 - 22 - 1.8/6869=3, 2416/3.0=2...(13) HD2 LYS 40 - H LYS 53 OK 17 100 - 17 - 3.0/9183=3, 3.5/6876=2...(5) HD3 LYS 40 - H LYS 53 OK 17 100 - 17 - 3.0/9183=3, 3.5/6876=2...(5) HD2 LYS 82 - H LYS 53 OK 17 99 - 17 - ~10935=2, ~10937=2...(7) HG LEU 38 - H LYS 53 OK 16 99 - 17 - 2367/3.6=3, 2373=3...(6) HB2 LEU 27 - H LYS 53 OK 14 98 - 14 - 3.1/6870=2, 1194/4.3=1 HB2 LEU 38 - H LYS 53 OK 12 96 - 13 - 3.0/2373=2, 2347/4.5=2...(5) HG3 ARG 91 - H LYS 53 OK 11 90 - 12 - 2.8/6876=1, 6863/4.4=1...(4) HG2 LYS 12 - H LYS 53 lone 2 65 - 4 - HG LEU 64 - H LYS 53 lone 1 70 - 2 - Peak 6878 from nnoeabs.peaks (1.47, 8.47, 123.25 ppm; 3.65 A): 4 out of 14 assignments used, quality = 0.99: * HG3 LYS 53 + H LYS 53 OK 78 100 - 78 - 5.0=38, 3.0/6876=9...(20) HG2 LYS 53 + H LYS 53 OK 77 99 - 78 - 5.0=38, 3.0/6876=9...(21) HD2 LYS 53 + H LYS 53 OK 69 94 - 74 - 5.9=24, 2438/3.0=14...(22) HG13 ILE 52 + H LYS 53 OK 61 90 - 68 - 3.8/6868=21, 1.8/6871=18...(13) HG2 LYS 20 - H LYS 53 OK 19 90 - 21 - 1.8/6869=3, 2416/3.0=2...(10) HD3 LYS 40 - H LYS 53 OK 17 100 - 17 - 3.0/9183=3, 3.5/6876=2...(5) HD2 LYS 40 - H LYS 53 OK 17 99 - 17 - 3.0/9183=3, 3.5/6876=2...(5) HD2 LYS 82 - H LYS 53 OK 16 94 - 17 - ~10935=2, ~10937=2...(6) HG LEU 38 - H LYS 53 OK 14 94 - 15 - 2367/3.6=3, 2373=2...(5) HB2 LEU 27 - H LYS 53 OK 12 90 - 13 - 3.1/6870=2, 8113/9182=1 HB2 LEU 38 - H LYS 53 poor 10 84 - 12 - 3.0/2373=2, 2347/4.5=2...(5) HG3 ARG 91 - H LYS 53 poor 8 73 - 11 - 2.8/6876=1 HB2 ARG 91 - H LYS 53 lone 6 65 - 9 - 1.8/6876=2 HG LEU 64 - H LYS 53 lone 2 87 - 2 - Peak 6879 from nnoeabs.peaks (1.46, 8.47, 123.25 ppm; 3.65 A): 4 out of 14 assignments used, quality = 1.00: HG2 LYS 53 + H LYS 53 OK 78 99 - 79 - 5.0=38, 3.0/6876=9...(21) * HD2 LYS 53 + H LYS 53 OK 75 100 - 76 - 5.9=24, 2438/3.0=16...(22) HG3 LYS 53 + H LYS 53 OK 73 94 - 78 - 5.0=38, 3.0/6876=9...(21) HG13 ILE 52 + H LYS 53 OK 70 100 - 70 - 3.8/6868=21, 1.8/6871=18...(13) HG2 LYS 20 - H LYS 53 OK 22 100 - 22 - 1.8/6869=3, 2416/3.0=2...(13) HD2 LYS 82 - H LYS 53 OK 17 100 - 17 - ~10935=2, ~10937=2...(7) HD2 LYS 40 - H LYS 53 OK 17 99 - 17 - 3.0/9183=3, 3.5/6876=2...(5) HG LEU 38 - H LYS 53 OK 17 100 - 17 - 2367/3.6=3, 2373=3...(6) HD3 LYS 40 - H LYS 53 OK 17 98 - 17 - 3.0/9183=3, 3.5/6876=2...(5) HB2 LEU 27 - H LYS 53 OK 15 100 - 15 - 3.1/6870=2, 1194/4.3=2 HB2 LEU 38 - H LYS 53 OK 13 99 - 13 - 3.0/2373=2, 2347/4.5=2...(5) HG3 ARG 91 - H LYS 53 OK 12 97 - 12 - 6863/4.4=1, 2.8/6876=1...(4) HG2 LYS 12 - H LYS 53 lone 3 81 - 4 - HG3 LYS 39 - H LYS 53 lone 2 65 - 4 - Peak 6880 from nnoeabs.peaks (1.55, 8.47, 123.25 ppm; 5.37 A): 2 out of 7 assignments used, quality = 1.00: * HD3 LYS 53 + H LYS 53 OK 98 100 - 98 - 5.9=77, 2449/3.0=31...(22) HB2 LEU 3 + H LYS 53 OK 93 100 - 93 - 3.1/9182=44, 3.1/9181=34...(17) HD3 LYS 82 - H LYS 53 OK 35 81 - 43 - ~10935=6, ~10937=6...(18) HB3 GLU 28 - H LYS 53 OK 29 90 - 32 - 6892/4.7=3, 1248=3...(13) HG2 LYS 33 - H LYS 53 OK 16 99 - 16 - 6892/4.7=2, 2389/3.0=1...(6) HG3 ARG 79 - H LYS 53 poor 9 70 - 13 - 6892/4.7=2, 2389/3.0=1...(4) HG2 ARG 79 - H LYS 53 poor 8 65 - 12 - 6892/4.7=2, 2389/3.0=1...(5) Peak 6884 from nnoeabs.peaks (8.49, 8.49, 120.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 54 + H VAL 54 OK 100 100 - 100 Peak 6886 from nnoeabs.peaks (5.04, 8.49, 120.76 ppm; 2.91 A): 1 out of 2 assignments used, quality = 0.76: * HA LYS 53 + H VAL 54 OK 76 100 - 76 - 3.6=54, 3.0/6887=13...(13) HA SER 59 - H VAL 54 lone 6 61 - 9 - 11102/11101=3...(5) Peak 6887 from nnoeabs.peaks (1.84, 8.49, 120.76 ppm; 3.42 A): 3 out of 5 assignments used, quality = 0.84: * HB2 LYS 53 + H VAL 54 OK 78 100 - 78 - 4.4=48, 3.0/6886=29...(11) HB2 LYS 68 + H VAL 54 OK 17 100 - 17 - 1.8/6896=3, 2384/3.6=3...(6) HB3 LYS 90 + H VAL 54 OK 13 97 - 14 - 2384/3.6=4, 2406/4.4=3 HG2 ARG 46 - H VAL 54 lone 5 73 - 7 - 2406/4.4=1, 2384/3.6=1 HB3 LEU 57 - H VAL 54 lone 2 70 - 3 - Peak 6888 from nnoeabs.peaks (1.69, 8.49, 120.76 ppm; 4.10 A): 1 out of 22 assignments used, quality = 0.96: * HB3 LYS 53 + H VAL 54 OK 96 100 - 96 - 4.4=82, 3.0/6886=38...(13) HB ILE 52 - H VAL 54 OK 24 77 - 32 - 2349/4.7=7, ~9162=7...(10) HG3 LYS 20 - H VAL 54 OK 17 90 - 19 - 3.0/6896=3, 1.8/6891=3...(8) HD2 LYS 20 - H VAL 54 OK 13 96 - 14 - 3.5/6896=3, 2.8/6891=2...(6) HD3 LYS 66 - H VAL 54 OK 12 73 - 17 - 3.6/2895=3, 3.6/2907=3...(8) HD3 LYS 20 - H VAL 54 OK 12 90 - 13 - 3.5/6896=3, 2.8/6891=2...(6) HD3 LYS 90 - H VAL 54 OK 11 90 - 13 - 3.6/6887=4, 2396/4.4=3 HB3 LYS 40 - H VAL 54 OK 11 100 - 11 - 2396/4.4=2, 2385/3.6=2 HB2 LEU 2 - H VAL 54 OK 10 73 - 14 - 10651/3.0=2, 12274/4.0=1...(6) HG12 ILE 15 - H VAL 54 lone 9 96 - 10 - 2.1/6898=2, 1.8/6898=2 HB3 ARG 91 - H VAL 54 lone 8 100 - 9 - 2396/4.4=2, 2385/3.6=2 HD3 LYS 12 - H VAL 54 lone 5 77 - 6 - ~10651=1 HD2 LYS 12 - H VAL 54 lone 5 77 - 6 - ~10651=1 HG2 PRO 86 - H VAL 54 lone 4 97 - 4 - HD3 LYS 47 - H VAL 54 lone 3 99 - 3 - HD2 LYS 47 - H VAL 54 lone 3 99 - 3 - HD2 LYS 13 - H VAL 54 lone 3 77 - 3 - ~10651=1 HD2 LYS 24 - H VAL 54 lone 3 92 - 3 - HG LEU 70 - H VAL 54 lone 2 84 - 3 - HD3 LYS 24 - H VAL 54 lone 2 90 - 3 - HD3 LYS 13 - H VAL 54 lone 2 70 - 3 - HD2 LYS 73 - H VAL 54 lone 1 65 - 2 - Peak 6889 from nnoeabs.peaks (1.46, 8.49, 120.76 ppm; 3.89 A): 3 out of 14 assignments used, quality = 0.98: * HG2 LYS 53 + H VAL 54 OK 74 100 - 74 - 3.9/6886=27, 3.0/6887=22...(13) HG3 LYS 53 + H VAL 54 OK 73 99 - 74 - 3.9/6886=27, 3.0/6887=22...(12) HD2 LYS 53 + H VAL 54 OK 67 99 - 67 - 3.6/6887=19, 2438/3.6=17...(11) HG13 ILE 52 - H VAL 54 OK 28 98 - 29 - 2373/4.7=6, 10208/4.0=4...(10) HG2 LYS 20 - H VAL 54 OK 22 98 - 22 - 3.0/6896=3, 10208/4.0=3...(12) HD2 LYS 82 - H VAL 54 lone 10 99 - 10 - 10208/4.0=2, 1.8/6892=1...(4) HB2 LEU 27 - H VAL 54 lone 9 98 - 9 - 3.1/6898=2, 1194/4.0=1 HD2 LYS 40 - H VAL 54 lone 9 100 - 9 - 2387/3.6=1, 2408/4.4=1...(4) HD3 LYS 40 - H VAL 54 lone 9 100 - 9 - 2387/3.6=1, 2408/4.4=1...(4) HG LEU 38 - H VAL 54 lone 6 99 - 6 - 2373/4.7=2 HG3 ARG 91 - H VAL 54 lone 6 90 - 6 - HB2 LEU 38 - H VAL 54 lone 5 96 - 5 - HG2 LYS 12 - H VAL 54 lone 4 65 - 6 - HG LEU 64 - H VAL 54 lone 2 70 - 3 - 4.3/2808=1 Peak 6890 from nnoeabs.peaks (1.47, 8.49, 120.76 ppm; 3.89 A): 3 out of 14 assignments used, quality = 0.97: * HG3 LYS 53 + H VAL 54 OK 74 100 - 74 - 3.9/6886=27, 3.0/6887=22...(12) HG2 LYS 53 + H VAL 54 OK 73 99 - 74 - 3.9/6886=27, 3.0/6887=22...(13) HD2 LYS 53 + H VAL 54 OK 62 94 - 66 - 3.6/6887=19, 5.3/6886=17...(11) HG13 ILE 52 - H VAL 54 OK 24 90 - 27 - 2373/4.7=5, ~9162=4...(10) HG2 LYS 20 - H VAL 54 OK 19 90 - 21 - 3.0/6896=3, 2425=2...(12) HD2 LYS 82 - H VAL 54 lone 9 94 - 9 - 10208/4.0=2, 1.8/6892=1 HD2 LYS 40 - H VAL 54 lone 8 99 - 8 - 2387/3.6=1, 2409/4.4=1...(4) HD3 LYS 40 - H VAL 54 lone 8 100 - 8 - 2387/3.6=1, 2409/4.4=1...(4) HB2 LEU 27 - H VAL 54 lone 8 90 - 9 - 3.1/6898=2, 10208/4.0=1 HG LEU 38 - H VAL 54 lone 5 94 - 5 - 2373/4.7=1 HG3 ARG 91 - H VAL 54 lone 4 73 - 6 - HB2 LEU 38 - H VAL 54 lone 4 84 - 4 - HG LEU 64 - H VAL 54 lone 3 87 - 4 - 4.3/2808=1 HB2 ARG 91 - H VAL 54 lone 3 65 - 5 - 1.8/6888=1 Peak 6891 from nnoeabs.peaks (1.46, 8.49, 120.76 ppm; 3.89 A): 3 out of 14 assignments used, quality = 0.97: HG2 LYS 53 + H VAL 54 OK 74 99 - 74 - 3.9/6886=27, 3.0/6887=22...(13) HG3 LYS 53 + H VAL 54 OK 69 94 - 73 - 3.9/6886=27, 3.0/6887=22...(12) * HD2 LYS 53 + H VAL 54 OK 67 100 - 68 - 3.6/6887=19, 2438/3.6=17...(11) HG13 ILE 52 - H VAL 54 OK 29 100 - 29 - 2373/4.7=7, 10208/4.0=4...(10) HG2 LYS 20 - H VAL 54 OK 22 100 - 22 - 3.0/6896=3, 10208/4.0=3...(12) HD2 LYS 82 - H VAL 54 lone 10 100 - 10 - 10208/4.0=2, 1.8/6892=1...(5) HB2 LEU 27 - H VAL 54 lone 10 100 - 10 - 3.1/6898=2, 1194/4.0=1 HD2 LYS 40 - H VAL 54 lone 8 99 - 9 - 2386/3.6=1, 2408/4.4=1...(4) HD3 LYS 40 - H VAL 54 lone 8 98 - 8 - 2386/3.6=1, 2408/4.4=1...(4) HG LEU 38 - H VAL 54 lone 6 100 - 6 - 2373/4.7=2 HG3 ARG 91 - H VAL 54 lone 6 97 - 6 - 2410/4.4=1 HB2 LEU 38 - H VAL 54 lone 5 99 - 5 - HG2 LYS 12 - H VAL 54 lone 5 81 - 6 - HG3 LYS 39 - H VAL 54 lone 3 65 - 4 - 10568/4.0=1 Peak 6892 from nnoeabs.peaks (1.55, 8.49, 120.76 ppm; 5.33 A): 2 out of 7 assignments used, quality = 0.96: * HD3 LYS 53 + H VAL 54 OK 88 100 - 88 - 5.3/6886=32, 3.6/6887=30...(15) HB2 LEU 3 + H VAL 54 OK 65 100 - 65 - 4.4/11100=19...(16) HB3 GLU 28 - H VAL 54 OK 28 90 - 31 - 8657/3.0=7, ~8656=7...(11) HG3 ARG 79 - H VAL 54 OK 21 70 - 30 - 9689/11101=5, 3.0/3514=4...(14) HG2 ARG 79 - H VAL 54 OK 19 65 - 29 - 9689/11101=4, 3.0/3514=4...(12) HD3 LYS 82 - H VAL 54 OK 18 81 - 23 - 2389/3.6=4, 2400/4.4=4...(6) HG2 LYS 33 - H VAL 54 OK 14 99 - 14 - 4.9/6514=3, 6880/4.7=2...(5) Peak 6895 from nnoeabs.peaks (5.16, 8.49, 120.76 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 54 + H VAL 54 OK 100 100 - 100 - 3.0=100 HA TYR 4 - H VAL 54 OK 37 73 - 50 - 3.0/11100=11, 2494/4.0=8...(13) Peak 6896 from nnoeabs.peaks (1.89, 8.49, 120.76 ppm; 3.26 A): 6 out of 9 assignments used, quality = 0.90: * HB VAL 54 + H VAL 54 OK 79 100 - 79 - 3.9=60, 2.1/6897=16...(9) HB ILE 8 + H VAL 54 OK 16 92 - 17 - 2483/3.0=2, 2.9/8294=2...(8) HB2 ARG 19 + H VAL 54 OK 15 97 - 15 - 8515/4.0=3, 2483/3.0=2...(5) HG LEU 42 + H VAL 54 OK 13 90 - 15 - 2501/4.0=4, 2495/4.0=3...(6) HB2 LYS 20 + H VAL 54 OK 12 99 - 12 - 2495/4.0=2, 2483/3.0=2...(5) HB3 LYS 68 + H VAL 54 OK 12 81 - 15 - 1.8/6887=5, 4.0/7103=2...(4) HB3 LEU 14 - H VAL 54 lone 3 70 - 4 - HB3 LYS 12 - H VAL 54 lone 3 61 - 4 - HB3 GLU 104 - H VAL 54 lone 1 77 - 1 - Peak 6897 from nnoeabs.peaks (0.65, 8.49, 120.76 ppm; 3.43 A): 3 out of 3 assignments used, quality = 0.92: * QG2 VAL 54 + H VAL 54 OK 82 100 - 82 - 4.0=62, 2.1/6896=18...(8) QD1 LEU 29 + H VAL 54 OK 40 100 - 40 - 2484/3.0=6, 2.1/12050=6...(12) QD2 LEU 29 + H VAL 54 OK 29 87 - 33 - 12050=5, 2.1/12049=5...(10) Peak 6898 from nnoeabs.peaks (0.76, 8.49, 120.76 ppm; 3.40 A): 7 out of 11 assignments used, quality = 0.94: * QG1 VAL 54 + H VAL 54 OK 81 100 - 81 - 4.0=61, 2.1/6897=18...(8) QG1 VAL 78 + H VAL 54 OK 35 73 - 48 - 3.2/11101=23, 3495=7...(8) QD2 LEU 42 + H VAL 54 OK 17 99 - 18 - 1947/3.9=3, 2485/3.0=3...(5) QG2 ILE 52 + H VAL 54 OK 15 70 - 21 - 9199/3.6=4, 9162/3.0=3...(8) QD1 LEU 6 + H VAL 54 OK 12 94 - 13 - 232/4.7=3, 2497/4.0=2...(6) QD1 ILE 93 + H VAL 54 OK 11 96 - 11 - 5.0/11100=2, 11003/4.6=2...(4) QD1 LEU 27 + H VAL 54 OK 10 97 - 10 - 2485/3.0=1, 6905/4.6=1 QD1 ILE 15 - H VAL 54 lone 10 100 - 10 - 8466/3.9=1, 2485/3.0=1, ~10651=1 QG2 ILE 93 - H VAL 54 lone 9 90 - 10 - 4.0/11100=3, 6905/4.6=1 HG13 ILE 15 - H VAL 54 lone 8 97 - 8 - ~10651=1, 8465/3.9=1, 2485/3.0=1 HG13 ILE 93 - H VAL 54 lone 5 65 - 7 - 4.6/11100=3 Peak 6899 from nnoeabs.peaks (8.64, 8.49, 120.76 ppm; 4.73 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 55 + H VAL 54 OK 100 100 - 100 - 4.6=100 H ASN 10 - H VAL 54 OK 31 99 - 31 - 2504/4.0=7, 2486/3.0=6...(6) H ALA 18 - H VAL 54 OK 13 61 - 21 - 4.7/11106=5, 2498/4.0=4...(6) Peak 6900 from nnoeabs.peaks (8.64, 8.64, 131.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + H LEU 55 OK 100 100 - 100 Peak 6901 from nnoeabs.peaks (8.49, 8.64, 131.90 ppm; 4.32 A): 2 out of 6 assignments used, quality = 0.98: * H VAL 54 + H LEU 55 OK 95 100 - 95 - 4.6=82, 3.0/6902=32...(10) H ARG 79 + H LEU 55 OK 53 94 - 57 - 11117/2.9=19...(12) H VAL 32 - H LEU 55 OK 18 92 - 19 - 4.6/9294=5, 2493/4.1=3...(7) H THR 31 - H LEU 55 OK 17 98 - 17 - 2493/4.1=3, 2499/4.1=3...(5) H ALA 67 - H LEU 55 OK 14 92 - 15 - 9518/4.7=3, 2481/3.6=2...(6) H LEU 2 - H LEU 55 lone 4 61 - 7 - 11117/2.9=2, 2481/3.6=1 Peak 6902 from nnoeabs.peaks (5.16, 8.64, 131.90 ppm; 2.86 A): 2 out of 2 assignments used, quality = 0.78: * HA VAL 54 + H LEU 55 OK 69 100 - 69 - 3.6=52, 3.2/2504=10...(10) HA TYR 4 + H LEU 55 OK 27 73 - 36 - 3.0/8121=10, 2494/4.1=5...(10) Peak 6903 from nnoeabs.peaks (1.89, 8.64, 131.90 ppm; 4.31 A): 1 out of 9 assignments used, quality = 0.97: * HB VAL 54 + H LEU 55 OK 97 100 - 97 - 4.5=89, 3.0/6902=31...(7) HB2 ARG 19 - H LEU 55 OK 19 97 - 20 - 8515/4.1=6, 2483/3.6=4...(7) HG LEU 42 - H LEU 55 OK 18 90 - 20 - 2501/4.1=6, 2495/4.1=5...(5) HB ILE 8 - H LEU 55 OK 15 92 - 16 - 4.4/6111=3, 2483/3.6=3...(5) HB2 LYS 20 - H LEU 55 OK 12 99 - 12 - 2495/4.1=3, 2483/3.6=3...(5) HB3 LYS 68 - H LEU 55 poor 9 81 - 11 - 10258/4.7=2, 6896/4.6=2...(4) HB3 LEU 14 - H LEU 55 lone 6 70 - 8 - 1.8/10659=2, 2501/4.1=1...(4) HB3 LYS 12 - H LEU 55 lone 3 61 - 5 - HB3 GLU 104 - H LEU 55 lone 1 77 - 2 - Peak 6904 from nnoeabs.peaks (0.65, 8.64, 131.90 ppm; 3.90 A): 1 out of 3 assignments used, quality = 0.95: * QG2 VAL 54 + H LEU 55 OK 95 100 - 95 - 4.1=85, 3.2/6902=26...(12) QD1 LEU 29 - H LEU 55 OK 36 100 - 36 - 2484/3.6=7...(9) QD2 LEU 29 - H LEU 55 OK 22 87 - 25 - 2484/3.6=5, 2490/4.5=4...(7) Peak 6905 from nnoeabs.peaks (0.76, 8.64, 131.90 ppm; 3.12 A): 7 out of 11 assignments used, quality = 0.89: * QG1 VAL 54 + H LEU 55 OK 73 100 - 73 - 4.1=43, 3.2/6902=18...(12) QD1 ILE 93 + H LEU 55 OK 17 96 - 18 - 10021/4.8=10, 5.0/9293=3 QD1 LEU 6 + H LEU 55 OK 17 94 - 18 - 4.6/8199=9, 2.1/10659=2...(6) QG2 ILE 93 + H LEU 55 OK 15 90 - 17 - 10014/4.8=8, 4.0/9293=3 QD1 LEU 27 + H LEU 55 OK 15 97 - 15 - 1221/2.9=3, 4.0/6906=2...(6) QG1 VAL 78 + H LEU 55 OK 11 73 - 15 - 4.3/6901=3, 10351/4.5=3...(7) QD2 LEU 42 + H LEU 55 OK 11 99 - 11 - 2497/4.1=2, 1947/4.5=2...(5) QG2 ILE 52 - H LEU 55 poor 10 70 - 14 - 3.2/6908=3, 9162/3.6=2...(6) QD1 ILE 15 - H LEU 55 lone 7 100 - 7 - 8449/344=1 HG13 ILE 93 - H LEU 55 poor 7 65 - 10 - 10019/4.8=4, 4.6/9293=3 HG13 ILE 15 - H LEU 55 lone 5 97 - 5 - Peak 6906 from nnoeabs.peaks (4.67, 8.64, 131.90 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 55 + H LEU 55 OK 100 100 - 100 - 2.9=100 HA LEU 27 - H LEU 55 OK 20 65 - 31 - 2514/3.9=5, 2522/3.9=4...(11) Peak 6907 from nnoeabs.peaks (-0.63, 8.64, 131.90 ppm; 3.75 A): 1 out of 1 assignment used, quality = 0.97: * HB2 LEU 55 + H LEU 55 OK 97 100 - 97 - 3.9=92, 1.8/6908=28...(10) Peak 6908 from nnoeabs.peaks (1.03, 8.64, 131.90 ppm; 3.49 A): 1 out of 3 assignments used, quality = 0.92: * HB3 LEU 55 + H LEU 55 OK 92 100 - 92 - 3.9=74, 1.8/6907=32...(11) QG1 VAL 83 - H LEU 55 OK 22 70 - 32 - 2.1/6909=6, 2516/3.9=5...(9) HG12 ILE 52 - H LEU 55 OK 20 81 - 25 - 9240/4.1=6, 2508/2.9=4...(9) Peak 6909 from nnoeabs.peaks (0.96, 8.64, 131.90 ppm; 3.71 A): 3 out of 4 assignments used, quality = 0.96: * HG LEU 55 + H LEU 55 OK 87 100 - 87 - 4.7=49, 3.0/6907=28...(9) QG2 VAL 5 + H LEU 55 OK 48 65 - 73 - 3.2/9295=31, 4.1/8199=14...(13) QG2 VAL 83 + H LEU 55 OK 40 100 - 40 - 3753/4.7=6, 2.1/6908=6...(11) QG2 THR 80 - H LEU 55 OK 22 73 - 30 - 4.2/11127=8, ~9713=6...(8) Peak 6910 from nnoeabs.peaks (0.44, 8.64, 131.90 ppm; 4.65 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 55 + H LEU 55 OK 99 100 - 99 - 4.8=90, 2.1/6911=40...(17) HG2 ARG 81 + H LEU 55 OK 58 96 - 60 - 2510/2.9=13, 2518/3.9=12...(9) Peak 6911 from nnoeabs.peaks (0.51, 8.64, 131.90 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.97: * QD2 LEU 55 + H LEU 55 OK 97 100 - 97 - 4.8=76, 3.1/6907=36...(14) Peak 6912 from nnoeabs.peaks (9.19, 8.64, 131.90 ppm; 4.75 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 56 + H LEU 55 OK 100 100 - 100 - 4.7=100 H THR 84 + H LEU 55 OK 49 87 - 57 - 10662/4.1=10, 2512/2.9=9...(14) H GLU 35 - H LEU 55 OK 11 81 - 13 - 2512/2.9=2, 2520/3.9=2...(6) Peak 6913 from nnoeabs.peaks (9.19, 9.19, 126.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + H ILE 56 OK 100 100 - 100 Peak 6914 from nnoeabs.peaks (8.64, 9.19, 126.37 ppm; 4.98 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 55 + H ILE 56 OK 100 100 - 100 - 4.7=100 H ASN 10 - H ILE 56 OK 21 99 - 21 - 2513/4.5=5, 2521/4.5=5...(7) H ALA 18 - H ILE 56 poor 6 61 - 10 - 11127/9298=2, 6262/9702=1 Peak 6915 from nnoeabs.peaks (4.67, 9.19, 126.37 ppm; 3.10 A): 2 out of 2 assignments used, quality = 0.84: * HA LEU 55 + H ILE 56 OK 82 100 - 82 - 3.6=65, 4.0/6919=11...(10) HA LEU 27 + H ILE 56 OK 10 65 - 15 - 2514/4.5=2, 2522/4.5=2...(7) Peak 6916 from nnoeabs.peaks (-0.63, 9.19, 126.37 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + H ILE 56 OK 100 100 - 100 - 4.5=100 Peak 6917 from nnoeabs.peaks (1.03, 9.19, 126.37 ppm; 4.19 A): 1 out of 3 assignments used, quality = 0.96: * HB3 LEU 55 + H ILE 56 OK 96 100 - 96 - 4.5=83, 3.0/6915=36...(11) QG1 VAL 83 - H ILE 56 OK 34 70 - 49 - 2.1/6918=11, 2.1/3747=8...(13) HG12 ILE 52 - H ILE 56 OK 24 81 - 30 - 3.8/9299=9, 2508/3.6=5...(8) Peak 6918 from nnoeabs.peaks (0.96, 9.19, 126.37 ppm; 3.71 A): 3 out of 4 assignments used, quality = 0.96: * HG LEU 55 + H ILE 56 OK 78 100 - 78 - 2.1/6919=26, 3.7/6915=25...(15) QG2 VAL 83 + H ILE 56 OK 62 100 - 62 - 3753=10, 9328/3.8=8...(20) QG2 THR 80 + H ILE 56 OK 51 73 - 69 - 3.2/9299=19, 4.2/9298=17...(18) QG2 VAL 5 - H ILE 56 OK 37 65 - 56 - 3.2/9301=12...(15) Peak 6919 from nnoeabs.peaks (0.44, 9.19, 126.37 ppm; 3.32 A): 2 out of 2 assignments used, quality = 0.85: * QD1 LEU 55 + H ILE 56 OK 75 100 - 76 - 2544=31, 2538/3.6=18...(14) HG2 ARG 81 + H ILE 56 OK 37 96 - 39 - 4.9/9298=11, 2510/3.6=6...(12) Peak 6920 from nnoeabs.peaks (0.51, 9.19, 126.37 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.88: * QD2 LEU 55 + H ILE 56 OK 88 100 - 88 - 4.0/6915=34, 2.1/6919=33...(14) Peak 6921 from nnoeabs.peaks (4.88, 9.19, 126.37 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 56 + H ILE 56 OK 100 100 - 100 - 3.0=100 HA THR 31 - H ILE 56 OK 36 94 - 39 - 2570/4.0=7, 2562/3.8=6...(12) Peak 6922 from nnoeabs.peaks (1.76, 9.19, 126.37 ppm; 3.42 A): 5 out of 6 assignments used, quality = 0.94: * HB ILE 56 + H ILE 56 OK 86 100 - 86 - 3.8=71, 9304/3.6=12...(13) HB3 LYS 82 + H ILE 56 OK 27 100 - 27 - 2555/3.0=5, 2571/4.0=4...(10) HB VAL 78 + H ILE 56 OK 25 70 - 35 - 3.0/9300=14, 4.4/9697=10...(8) HB2 LYS 66 + H ILE 56 OK 12 100 - 12 - 2555/3.0=2, 2571/4.0=2...(6) HG3 ARG 19 + H ILE 56 OK 11 100 - 11 - 2555/3.0=2, 2571/4.0=2...(5) HB3 GLU 63 - H ILE 56 lone 6 77 - 7 - 2555/3.0=1, 2571/4.0=1 Peak 6923 from nnoeabs.peaks (0.60, 9.19, 126.37 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 56 + H ILE 56 OK 100 100 - 100 - 4.0=100 Peak 6924 from nnoeabs.peaks (1.53, 9.19, 126.37 ppm; 3.63 A): 5 out of 10 assignments used, quality = 0.96: * HG12 ILE 56 + H ILE 56 OK 76 100 - 76 - 4.9=40, 2.9/2561=18...(14) HG LEU 6 + H ILE 56 OK 40 98 - 41 - 5.3/11108=8, ~8223=6...(11) HB2 LEU 14 + H ILE 56 OK 37 94 - 39 - 3.1/8399=7, 8254/3.0=6...(13) HG2 ARG 79 + H ILE 56 OK 36 100 - 36 - 4.7/9697=11, 3.0/9698=7...(11) HG3 ARG 79 + H ILE 56 OK 35 99 - 35 - 4.7/9697=11, 3.0/9698=7...(11) HB ILE 7 - H ILE 56 OK 28 94 - 30 - ~8255=6, 8254/3.0=5...(8) HG LEU 2 - H ILE 56 OK 12 73 - 16 - 4.7/9297=3, 2.1/10667=2...(5) HG3 ARG 30 - H ILE 56 OK 11 100 - 11 - 6933/4.5=1 HB3 LEU 103 - H ILE 56 lone 7 96 - 8 - 3.1/10667=2 HG2 LYS 33 - H ILE 56 lone 6 70 - 9 - 4.9/11108=4, 4.9/6543=2 Peak 6925 from nnoeabs.peaks (0.71, 9.19, 126.37 ppm; 3.28 A): 4 out of 8 assignments used, quality = 0.95: * HG13 ILE 56 + H ILE 56 OK 67 100 - 67 - 4.9=30, 2.9/2561=15...(11) QD1 ILE 56 + H ILE 56 OK 63 97 - 65 - 5.0=28, 3.2/2561=14...(11) QG1 VAL 5 + H ILE 56 OK 43 87 - 49 - 3.2/9301=9, 4.1/11108=8...(14) QG2 VAL 78 + H ILE 56 OK 34 97 - 35 - 3.2/9300=13, 4.3/9697=9...(9) QD2 LEU 14 - H ILE 56 OK 31 98 - 31 - 2.1/8399=5, 2575/4.0=3...(12) QD1 ILE 8 - H ILE 56 OK 22 99 - 22 - 8313/4.0=6, 2594/3.0=3...(6) QG1 VAL 58 - H ILE 56 OK 22 98 - 22 - 10714/4.5=7...(6) QD2 LEU 27 - H ILE 56 poor 9 77 - 11 - 4.0/6915=2, 1213/3.6=2 Peak 6926 from nnoeabs.peaks (0.71, 9.19, 126.37 ppm; 3.45 A): 3 out of 9 assignments used, quality = 0.94: * QD1 ILE 56 + H ILE 56 OK 71 100 - 71 - 5.0=33, 2596/4.0=16...(10) HG13 ILE 56 + H ILE 56 OK 69 97 - 72 - 4.9=35, 2.9/2561=16...(11) QD2 LEU 14 + H ILE 56 OK 35 100 - 35 - 2.1/8399=6, 2575/4.0=4...(13) QG2 VAL 78 - H ILE 56 OK 29 81 - 36 - 3.2/9300=14, 4.3/9697=11...(8) QG1 VAL 5 - H ILE 56 OK 27 61 - 43 - 3.2/9301=10, 4.1/11108=9...(12) QD1 ILE 8 - H ILE 56 OK 26 100 - 26 - 8313/4.0=7, 2594/3.0=4...(6) QG1 VAL 58 - H ILE 56 OK 17 84 - 20 - 10714/4.5=6...(6) QD1 ILE 52 - H ILE 56 OK 13 84 - 16 - 4.1/9299=6, 2.1/6917=4...(4) QD1 LEU 42 - H ILE 56 lone 2 61 - 3 - Peak 6927 from nnoeabs.peaks (8.93, 9.19, 126.37 ppm; 4.85 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 57 + H ILE 56 OK 100 100 - 100 - 4.5=100 H VAL 5 + H ILE 56 OK 70 90 - 78 - 3.0/9301=22...(15) Peak 6928 from nnoeabs.peaks (8.93, 8.93, 126.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 57 + H LEU 57 OK 100 100 - 100 Peak 6929 from nnoeabs.peaks (9.19, 8.93, 126.55 ppm; 4.67 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 56 + H LEU 57 OK 100 100 - 100 - 4.5=100 H THR 84 - H LEU 57 OK 40 87 - 46 - 4.0/9348=11, 9340/4.6=9...(12) H GLU 35 - H LEU 57 OK 11 81 - 14 - 2569/4.1=3, 8775/4.6=3...(4) Peak 6930 from nnoeabs.peaks (4.88, 8.93, 126.55 ppm; 2.92 A): 2 out of 2 assignments used, quality = 0.78: * HA ILE 56 + H LEU 57 OK 73 100 - 73 - 3.6=55, 3.2/6932=19...(11) HA THR 31 + H LEU 57 OK 16 94 - 17 - 2570/4.1=4, 2562/4.4=3...(6) Peak 6931 from nnoeabs.peaks (1.76, 8.93, 126.55 ppm; 3.99 A): 1 out of 6 assignments used, quality = 0.95: * HB ILE 56 + H LEU 57 OK 95 100 - 95 - 4.4=75, 2.1/6932=42...(9) HB3 LYS 82 - H LEU 57 OK 29 100 - 29 - ~11113=7, 2571/4.1=6...(9) HB2 LYS 66 - H LEU 57 OK 20 100 - 20 - 3.0/6939=3, 3.0/6939=3...(8) HG3 ARG 19 - H LEU 57 OK 13 100 - 13 - 2571/4.1=2, 2555/3.6=2...(4) HB VAL 78 - H LEU 57 OK 11 70 - 15 - 6922/4.5=3, 2555/3.6=3...(5) HB3 GLU 63 - H LEU 57 poor 9 77 - 11 - 10225/10714=2...(4) Peak 6932 from nnoeabs.peaks (0.60, 8.93, 126.55 ppm; 3.33 A): 1 out of 1 assignment used, quality = 0.83: * QG2 ILE 56 + H LEU 57 OK 83 100 - 83 - 4.1=53, 3.2/6930=23...(16) Peak 6933 from nnoeabs.peaks (1.53, 8.93, 126.55 ppm; 3.72 A): 3 out of 10 assignments used, quality = 0.96: * HG12 ILE 56 + H LEU 57 OK 75 100 - 75 - 3.2/6932=30, 3.9/6930=22...(10) HB ILE 7 + H LEU 57 OK 65 94 - 69 - 3.0/9332=18, 2.1/8245=14...(16) HG LEU 6 + H LEU 57 OK 56 98 - 57 - 5.3/9333=13, 3.0/6937=10...(14) HB2 LEU 14 - H LEU 57 OK 29 94 - 31 - 8254/3.6=5, 2573/4.1=4...(12) HG LEU 2 - H LEU 57 OK 21 73 - 29 - ~8048=14, 2.1/6940=4...(4) HG3 ARG 30 - H LEU 57 OK 20 100 - 20 - 4.9/10505=6, 2.9/10693=6 HG2 ARG 79 - H LEU 57 OK 15 100 - 15 - 6924/4.5=2, 2573/4.1=2...(4) HG3 ARG 79 - H LEU 57 OK 14 99 - 14 - 6924/4.5=2, 2573/4.1=2...(4) HB3 LEU 103 - H LEU 57 lone 8 96 - 9 - 3.1/6941=2 HG2 LYS 33 - H LEU 57 lone 3 70 - 5 - 1.8/6939=1 Peak 6934 from nnoeabs.peaks (0.71, 8.93, 126.55 ppm; 3.35 A): 4 out of 8 assignments used, quality = 0.97: * HG13 ILE 56 + H LEU 57 OK 71 100 - 71 - 3.2/6932=25, 3.9/6930=18...(16) QD1 ILE 56 + H LEU 57 OK 66 97 - 68 - 3.0/6932=26, 4.2/6930=16...(15) QG1 VAL 58 + H LEU 57 OK 53 98 - 54 - 10706/3.0=17, ~10705=11...(14) QD1 ILE 8 + H LEU 57 OK 42 99 - 43 - 2.1/10693=8, 5.0/9331=7...(14) QG1 VAL 5 - H LEU 57 OK 40 87 - 46 - 4.1/9333=14, 2.1/179=7...(15) QD2 LEU 14 - H LEU 57 OK 26 98 - 27 - 2575/4.1=3, 10403/9348=3...(13) QG2 VAL 78 - H LEU 57 OK 13 97 - 14 - 6925/4.5=2, 2.1/6931=2...(5) QD2 LEU 27 - H LEU 57 lone 5 77 - 7 - 4.7/8650=2 Peak 6935 from nnoeabs.peaks (0.71, 8.93, 126.55 ppm; 3.44 A): 4 out of 9 assignments used, quality = 0.97: * QD1 ILE 56 + H LEU 57 OK 71 100 - 71 - 3.0/6932=27, 4.2/6930=17...(14) HG13 ILE 56 + H LEU 57 OK 70 97 - 73 - 3.2/6932=26, 3.9/6930=19...(16) QD1 ILE 8 + H LEU 57 OK 45 100 - 46 - 2.1/10693=8, 5.0/9331=8...(15) QG1 VAL 58 + H LEU 57 OK 42 84 - 50 - 10706/3.0=14, ~10705=11...(14) QD2 LEU 14 - H LEU 57 OK 29 100 - 29 - 2575/4.1=3, 10403/9348=3...(15) QG1 VAL 5 - H LEU 57 OK 27 61 - 45 - 4.1/9333=15, 2.1/179=7...(13) QG2 VAL 78 - H LEU 57 poor 10 81 - 12 - 6925/4.5=2, 2.1/6931=2...(5) QD1 ILE 52 - H LEU 57 lone 8 84 - 9 - QD1 LEU 42 - H LEU 57 lone 4 61 - 6 - Peak 6936 from nnoeabs.peaks (5.39, 8.93, 126.55 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 57 + H LEU 57 OK 100 100 - 100 - 3.0=100 Peak 6937 from nnoeabs.peaks (1.20, 8.93, 126.55 ppm; 3.71 A): 2 out of 2 assignments used, quality = 0.98: * HB2 LEU 57 + H LEU 57 OK 96 100 - 96 - 3.9=83, 1.8/6938=22...(14) HB2 LEU 6 + H LEU 57 OK 53 73 - 72 - 4.0/9333=19, 4.3/8237=11...(19) Peak 6938 from nnoeabs.peaks (1.82, 8.93, 126.55 ppm; 3.51 A): 4 out of 9 assignments used, quality = 0.94: * HB3 LEU 57 + H LEU 57 OK 91 100 - 91 - 3.9=70, 1.8/6937=21...(16) HG2 ARG 46 + H LEU 57 OK 17 100 - 17 - 2612/3.9=3, 2604/3.0=3...(6) HB3 LYS 90 + H LEU 57 OK 13 92 - 14 - 2604/3.0=2, 2612/3.9=2...(6) HB2 LYS 90 + H LEU 57 OK 12 87 - 14 - 2604/3.0=2, 2612/3.9=2...(7) HB2 GLU 88 - H LEU 57 poor 9 77 - 12 - 9913/9348=1, 9920/4.5=1...(6) HB2 LYS 68 - H LEU 57 lone 7 81 - 9 - 10259/9348=1, 2604/3.0=1...(4) HB2 LYS 53 - H LEU 57 lone 5 70 - 7 - 3.9/10685=2 HB2 GLU 104 - H LEU 57 lone 5 77 - 6 - HB2 LEU 42 - H LEU 57 lone 4 70 - 6 - Peak 6939 from nnoeabs.peaks (1.50, 8.93, 126.55 ppm; 3.49 A): 4 out of 11 assignments used, quality = 0.88: * HG LEU 57 + H LEU 57 OK 78 100 - 78 - 4.9=36, 3.0/6937=16...(11) HG LEU 2 + H LEU 57 OK 25 81 - 31 - ~8048=12, 2605/3.0=4...(10) HG3 LYS 66 + H LEU 57 OK 15 96 - 16 - 3.0/6931=3, 2621/3.9=2...(8) HG2 LYS 66 + H LEU 57 OK 14 92 - 15 - 3.0/6931=3, 2621/3.9=2...(7) HB3 LEU 64 - H LEU 57 lone 8 90 - 9 - 6948/4.6=2, 2605/3.0=2...(4) HG3 LYS 13 - H LEU 57 lone 5 99 - 5 - HG3 LYS 33 - H LEU 57 lone 5 100 - 4 - HB2 ARG 91 - H LEU 57 lone 4 77 - 5 - HG2 LYS 73 - H LEU 57 lone 3 94 - 3 - HG3 LYS 24 - H LEU 57 lone 3 97 - 3 - HG2 LYS 47 - H LEU 57 lone 3 92 - 3 - Peak 6940 from nnoeabs.peaks (0.80, 8.93, 126.55 ppm; 3.41 A): 2 out of 9 assignments used, quality = 0.94: * QD2 LEU 57 + H LEU 57 OK 82 100 - 82 - 4.6=41, 2.1/6939=15...(13) QG2 ILE 7 + H LEU 57 OK 69 100 - 69 - 3.0/9332=16, 8245=11...(17) QG2 ILE 8 - H LEU 57 OK 33 94 - 35 - 4.0/9331=10, 3.1/10693=7...(11) QD2 LEU 2 - H LEU 57 OK 25 84 - 30 - 8048/3.0=14, 2.1/6939=5...(8) QD2 LEU 70 - H LEU 57 OK 14 87 - 16 - 3.1/10693=3, 2.1/6941=3...(6) QD1 ILE 76 - H LEU 57 OK 11 99 - 11 - 10283/3.9=2, 2606/3.0=1 QG2 ILE 52 - H LEU 57 lone 6 70 - 8 - 4.3/10685=1 QD1 LEU 70 - H LEU 57 poor 6 57 - 10 - 3.1/10693=3, 2.1/6941=1 QG2 ILE 15 - H LEU 57 lone 4 81 - 5 - Peak 6941 from nnoeabs.peaks (0.83, 8.93, 126.55 ppm; 3.58 A): 2 out of 8 assignments used, quality = 0.93: * QD1 LEU 57 + H LEU 57 OK 89 100 - 89 - 4.6=48, 2642/3.0=32...(15) QG2 VAL 32 + H LEU 57 OK 38 99 - 38 - 10165/3.6=9, 10674/4.1=7...(14) QD1 LEU 70 - H LEU 57 OK 18 87 - 21 - 3.1/10693=3, 2607/3.0=3...(8) QD2 LEU 2 - H LEU 57 OK 16 61 - 26 - 8048/3.0=9, 2.1/6939=5...(9) QD2 LEU 103 - H LEU 57 OK 12 100 - 12 - 10674/4.1=2, 2607/3.0=2...(5) QD2 LEU 38 - H LEU 57 OK 10 99 - 10 - 10674/4.1=2, 2607/3.0=2...(5) QD2 LEU 70 - H LEU 57 poor 7 57 - 13 - 3.1/10693=3, ~2607=2...(5) QG2 ILE 15 - H LEU 57 lone 2 65 - 3 - Peak 6942 from nnoeabs.peaks (8.54, 8.93, 126.55 ppm; 4.77 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 58 + H LEU 57 OK 100 100 - 100 - 4.6=100 H GLN 50 - H LEU 57 OK 31 98 - 32 - 2608/3.0=6, 2616/3.9=6...(8) H ASN 51 - H LEU 57 OK 30 96 - 31 - 2608/3.0=6, 2616/3.9=6...(7) H LYS 12 - H LEU 57 lone 3 57 - 5 - Peak 6943 from nnoeabs.peaks (8.54, 8.54, 114.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 58 + H VAL 58 OK 100 100 - 100 Peak 6944 from nnoeabs.peaks (8.93, 8.54, 114.40 ppm; 4.73 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 57 + H VAL 58 OK 100 100 - 100 - 4.6=100 H VAL 5 - H VAL 58 OK 41 90 - 46 - 2601/3.6=12, 2609/4.6=10...(11) Peak 6945 from nnoeabs.peaks (5.39, 8.54, 114.40 ppm; 2.87 A): 1 out of 1 assignment used, quality = 0.77: * HA LEU 57 + H VAL 58 OK 77 100 - 77 - 3.6=52, 2.9/6946=12...(15) Peak 6946 from nnoeabs.peaks (1.20, 8.54, 114.40 ppm; 4.01 A): 1 out of 2 assignments used, quality = 0.95: * HB2 LEU 57 + H VAL 58 OK 95 100 - 95 - 4.6=64, 2.9/6945=41...(17) HB2 LEU 6 - H VAL 58 OK 25 73 - 34 - 2603/3.6=8, 6937/4.6=8...(10) Peak 6947 from nnoeabs.peaks (1.82, 8.54, 114.40 ppm; 4.34 A): 1 out of 9 assignments used, quality = 0.98: * HB3 LEU 57 + H VAL 58 OK 98 100 - 98 - 4.6=82, 2.9/6945=44...(16) HG2 ARG 46 - H VAL 58 OK 15 100 - 15 - 2604/3.6=4, 2612/4.6=4...(4) HB3 LYS 90 - H VAL 58 OK 12 92 - 13 - 2604/3.6=3, 2612/4.6=3...(4) HB2 LYS 90 - H VAL 58 OK 11 87 - 13 - 2604/3.6=3, 2612/4.6=3...(4) HB2 GLU 88 - H VAL 58 OK 10 77 - 13 - 9913/9366=4, 9816/9788=2...(5) HB2 LYS 68 - H VAL 58 poor 10 81 - 12 - 10259/9366=4, 2604/3.6=2...(5) HB2 LEU 42 - H VAL 58 poor 8 70 - 11 - 3.1/6953=2, ~9374=2, ~2652=1 HB2 GLU 104 - H VAL 58 lone 5 77 - 6 - 9913/9366=1, 2604/3.6=1 HB2 LYS 53 - H VAL 58 lone 2 70 - 3 - Peak 6948 from nnoeabs.peaks (1.50, 8.54, 114.40 ppm; 4.66 A): 2 out of 11 assignments used, quality = 0.94: * HG LEU 57 + H VAL 58 OK 90 100 - 90 - 4.3/6945=37, 3.0/6946=30...(15) HB3 LEU 64 + H VAL 58 OK 40 90 - 45 - 3.1/10755=16...(11) HG LEU 2 - H VAL 58 OK 22 81 - 27 - 2605/3.6=6, 6939/4.6=5...(7) HG3 LYS 66 - H VAL 58 OK 19 96 - 20 - 2621/4.6=3, 2613/4.6=3...(8) HG2 LYS 66 - H VAL 58 OK 18 92 - 20 - 2621/4.6=3, 2613/4.6=3...(8) HG3 LYS 13 - H VAL 58 lone 8 99 - 8 - 2605/3.6=1, 2621/4.6=1 HB2 ARG 91 - H VAL 58 lone 6 77 - 8 - 2621/4.6=1, 2613/4.6=1 HG3 LYS 33 - H VAL 58 lone 5 100 - 5 - HG2 LYS 73 - H VAL 58 lone 5 94 - 5 - HG2 LYS 47 - H VAL 58 lone 5 92 - 5 - HG3 LYS 24 - H VAL 58 lone 4 97 - 4 - Peak 6949 from nnoeabs.peaks (0.80, 8.54, 114.40 ppm; 3.60 A): 3 out of 9 assignments used, quality = 0.94: * QD2 LEU 57 + H VAL 58 OK 76 100 - 76 - 4.0/6945=25, 2.1/2648=20...(16) QG2 ILE 8 + H VAL 58 OK 61 94 - 65 - 8302/3.0=16, ~8300=15...(17) QG2 ILE 7 + H VAL 58 OK 39 100 - 39 - 8245/4.6=8, 4.4/6955=7...(9) QD2 LEU 2 - H VAL 58 OK 22 84 - 26 - 8048/3.6=14, 2.1/6948=2...(7) QD2 LEU 70 - H VAL 58 OK 17 87 - 19 - 2.1/6950=4, 3.1/9371=3...(8) QG2 ILE 52 - H VAL 58 OK 13 70 - 18 - 3.2/10200=4, 4.0/6853=2...(6) QD1 ILE 76 - H VAL 58 OK 12 99 - 12 - 10283/4.6=2, 9396/4.7=1...(5) QD1 LEU 70 - H VAL 58 poor 8 57 - 14 - 3.1/9371=3, 10703/3.0=2...(5) QG2 ILE 15 - H VAL 58 lone 4 81 - 6 - Peak 6950 from nnoeabs.peaks (0.83, 8.54, 114.40 ppm; 3.58 A): 4 out of 8 assignments used, quality = 0.87: * QD1 LEU 57 + H VAL 58 OK 80 100 - 80 - 2648=27, 2642/3.6=27...(16) QD1 LEU 70 + H VAL 58 OK 16 87 - 19 - 3.1/9371=3, 2607/3.6=3...(8) QG2 VAL 32 + H VAL 58 OK 16 99 - 16 - 2607/3.6=4, 6941/4.6=3...(6) QD2 LEU 2 + H VAL 58 OK 11 61 - 18 - 8048/3.6=8, 2.1/6948=2...(5) QD2 LEU 70 - H VAL 58 poor 8 57 - 13 - 3.1/9371=3, 10703/3.0=2...(5) QD2 LEU 38 - H VAL 58 lone 7 99 - 7 - 2607/3.6=1 QD2 LEU 103 - H VAL 58 lone 7 100 - 7 - 2607/3.6=1, 9736/10712=1 QG2 ILE 15 - H VAL 58 lone 3 65 - 4 - Peak 6951 from nnoeabs.peaks (5.25, 8.54, 114.40 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 58 + H VAL 58 OK 100 100 - 100 - 3.0=100 Peak 6952 from nnoeabs.peaks (2.60, 8.54, 114.40 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 58 + H VAL 58 OK 100 100 - 100 - 4.0=100 Peak 6953 from nnoeabs.peaks (0.68, 8.54, 114.40 ppm; 3.05 A): 3 out of 5 assignments used, quality = 0.83: * QG2 VAL 58 + H VAL 58 OK 70 100 - 70 - 4.0=43, 2.1/2667=16...(12) QD1 LEU 14 + H VAL 58 OK 32 100 - 33 - 2652/3.0=6, 2658/4.0=5...(12) QD2 LEU 6 + H VAL 58 OK 14 90 - 16 - 3.1/6946=3, 8204/4.6=3...(5) QD1 LEU 42 - H VAL 58 lone 8 84 - 9 - 2652/3.0=2, 2658/4.0=1 QD1 ILE 52 - H VAL 58 poor 7 61 - 11 - 4.1/10200=2, 3.1/10202=2 Peak 6954 from nnoeabs.peaks (0.72, 8.54, 114.40 ppm; 3.21 A): 4 out of 9 assignments used, quality = 0.94: * QG1 VAL 58 + H VAL 58 OK 79 100 - 79 - 4.0=50, 2.1/2661=20...(12) QD1 ILE 8 + H VAL 58 OK 45 90 - 51 - ~8304=7, ~8300=7...(16) QD2 LEU 14 + H VAL 58 OK 30 87 - 35 - 2.1/6953=8, 10403/9366=4...(13) HG13 ILE 56 + H VAL 58 OK 25 98 - 25 - 2592/4.6=5, 10676/4.6=4...(10) QD1 ILE 56 - H VAL 58 OK 18 84 - 22 - 10682/9366=3...(9) QG1 VAL 5 - H VAL 58 OK 17 98 - 17 - ~9367=3, 4.0/6944=3...(6) HG3 ARG 81 - H VAL 58 OK 13 61 - 21 - 4.9/10712=11, ~9367=4 QG2 VAL 78 - H VAL 58 OK 12 100 - 12 - 10901/9372=4, 6961/4.7=1 QD2 LEU 27 - H VAL 58 lone 4 94 - 4 - Peak 6955 from nnoeabs.peaks (8.80, 8.54, 114.40 ppm; 4.19 A): 2 out of 3 assignments used, quality = 0.99: * H SER 59 + H VAL 58 OK 95 100 - 95 - 4.7=73, 6958/3.0=40...(14) H ILE 8 + H VAL 58 OK 82 100 - 82 - 8298/3.0=35, 8290/4.0=17...(13) H ALA 22 - H VAL 58 lone 3 65 - 4 - Peak 6956 from nnoeabs.peaks (8.80, 8.80, 115.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 59 + H SER 59 OK 100 100 - 100 Peak 6957 from nnoeabs.peaks (8.54, 8.80, 115.50 ppm; 4.80 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 58 + H SER 59 OK 100 100 - 100 - 4.7=100 H GLN 50 - H SER 59 OK 33 98 - 34 - 2661/4.2=7, 2649/3.6=6...(8) H ASN 51 - H SER 59 OK 21 96 - 22 - 2661/4.2=4, 2649/3.6=4...(6) H LYS 12 - H SER 59 lone 3 57 - 4 - Peak 6958 from nnoeabs.peaks (5.25, 8.80, 115.50 ppm; 3.16 A): 1 out of 1 assignment used, quality = 0.88: * HA VAL 58 + H SER 59 OK 88 100 - 88 - 3.6=70, 3.0/6959=24...(12) Peak 6959 from nnoeabs.peaks (2.60, 8.80, 115.50 ppm; 3.25 A): 1 out of 1 assignment used, quality = 0.78: * HB VAL 58 + H SER 59 OK 78 100 - 78 - 4.4=39, 3.0/6958=26...(10) Peak 6960 from nnoeabs.peaks (0.68, 8.80, 115.50 ppm; 3.56 A): 2 out of 5 assignments used, quality = 0.94: * QG2 VAL 58 + H SER 59 OK 90 100 - 90 - 4.2=59, 2.1/6959=37...(12) QD1 LEU 14 + H SER 59 OK 42 100 - 42 - 2652/3.6=7, 2670/4.2=6...(13) QD1 LEU 42 - H SER 59 OK 11 84 - 13 - 2.1/9400=2, 2652/3.6=2...(6) QD2 LEU 6 - H SER 59 OK 11 90 - 12 - 6953/4.7=2, 2652/3.6=2...(4) QD1 ILE 52 - H SER 59 lone 6 61 - 10 - 9408/4.0=1, 2652/3.6=1 Peak 6961 from nnoeabs.peaks (0.72, 8.80, 115.50 ppm; 3.51 A): 2 out of 9 assignments used, quality = 0.94: * QG1 VAL 58 + H SER 59 OK 89 100 - 89 - 4.2=57, 2.1/6959=36...(13) QD1 ILE 8 + H SER 59 OK 49 90 - 55 - 2.1/305=10, 3.2/289=10...(13) QD2 LEU 14 - H SER 59 OK 32 87 - 37 - 2.1/6960=9, 3.1/9400=5...(13) HG13 ILE 56 - H SER 59 OK 24 98 - 24 - 2.1/321=3, 2.9/9399=2...(8) QG2 VAL 78 - H SER 59 OK 23 100 - 23 - ~11102=8, 2.1/9399=4...(5) QD1 ILE 56 - H SER 59 OK 19 84 - 23 - 321=3, 8307/4.4=3...(9) QG1 VAL 5 - H SER 59 lone 7 98 - 7 - 6954/4.7=1, 2653/3.6=1 QD2 LEU 27 - H SER 59 lone 5 94 - 5 - HG3 ARG 81 - H SER 59 lone 2 61 - 4 - Peak 6962 from nnoeabs.peaks (5.06, 8.80, 115.50 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 59 + H SER 59 OK 100 100 - 100 - 3.0=100 HA LYS 53 - H SER 59 lone 4 61 - 7 - ~2405=1, ~2394=1 Peak 6963 from nnoeabs.peaks (4.16, 8.80, 115.50 ppm; 3.81 A): 1 out of 7 assignments used, quality = 0.91: * HB2 SER 59 + H SER 59 OK 91 100 - 91 - 4.0=84, 1.8/6964=27...(4) HA LYS 13 - H SER 59 lone 8 99 - 8 - 2675/3.0=1, 6969/4.6=1 HA LYS 73 - H SER 59 lone 7 84 - 9 - 2685/4.0=2, 2675/3.0=2...(4) HA GLU 23 - H SER 59 lone 6 87 - 7 - 2675/3.0=2, 2685/4.0=2 HA GLN 72 - H SER 59 lone 6 99 - 6 - 6969/4.6=2, 2675/3.0=1 HA MET 1 - H SER 59 lone 6 100 - 6 - 6969/4.6=1 HA LYS 47 - H SER 59 lone 2 77 - 2 - Peak 6964 from nnoeabs.peaks (4.04, 8.80, 115.50 ppm; 3.77 A): 2 out of 6 assignments used, quality = 0.91: * HB3 SER 59 + H SER 59 OK 90 100 - 90 - 4.0=82, 1.8/6963=26...(6) HA GLU 95 + H SER 59 OK 10 81 - 13 - 3.0/9401=3, 6970/4.6=3...(5) HA GLU 16 - H SER 59 lone 8 96 - 8 - 2681/4.0=2, 2676/3.0=2 HA LEU 70 - H SER 59 lone 7 70 - 10 - 9390/3.6=3, 4.0/9396=2 HA LYS 20 - H SER 59 lone 6 77 - 7 - 2676/3.0=1, 3.0/9400=1 HA GLU 17 - H SER 59 lone 3 73 - 4 - Peak 6965 from nnoeabs.peaks (7.73, 8.80, 115.50 ppm; 3.21 A): 3 out of 5 assignments used, quality = 0.79: * H ASN 60 + H SER 59 OK 66 100 - 66 - 6967=35, 9422/3.6=16...(8) H LEU 64 + H SER 59 OK 26 84 - 31 - 10237/4.4=7, 9467/4.2=5...(9) H SER 49 + H SER 59 OK 18 99 - 18 - 10708/3.6=2, 4.6/6957=2...(9) H MET 74 - H SER 59 lone 5 73 - 6 - 2687/4.0=1, 2677/3.0=1...(4) H GLU 37 - H SER 59 lone 3 90 - 3 - Peak 6966 from nnoeabs.peaks (7.73, 7.73, 117.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 60 + H ASN 60 OK 100 100 - 100 Peak 6967 from nnoeabs.peaks (8.80, 7.73, 117.52 ppm; 3.09 A): 2 out of 3 assignments used, quality = 0.70: * H SER 59 + H ASN 60 OK 60 100 - 60 - 4.6=30, 3.6/9422=15...(8) H ILE 8 + H ASN 60 OK 25 100 - 25 - 8298/9422=7, 8290/9410=4...(8) H ALA 22 - H ASN 60 lone 1 65 - 2 - Peak 6968 from nnoeabs.peaks (5.06, 7.73, 117.52 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 59 + H ASN 60 OK 100 100 - 100 - 3.6=100 HA LYS 53 - H ASN 60 lone 4 61 - 6 - 10935/9418=1, 10937/9417=1 Peak 6969 from nnoeabs.peaks (4.16, 7.73, 117.52 ppm; 4.35 A): 1 out of 7 assignments used, quality = 0.92: * HB2 SER 59 + H ASN 60 OK 92 100 - 92 - 4.6=86, 4.0/6967=23...(5) HA GLN 72 - H ASN 60 OK 19 99 - 19 - 9434/5.7=5, 9433/5.7=5...(7) HA LYS 73 - H ASN 60 OK 14 84 - 16 - 2685/4.6=2, 2675/3.6=2...(6) HA LYS 13 - H ASN 60 OK 12 99 - 12 - 3.9/9415=2, 6963/4.6=1...(5) HA MET 1 - H ASN 60 OK 11 100 - 11 - 9434/5.7=1, 4.2/9413=1...(5) HA GLU 23 - H ASN 60 lone 8 87 - 10 - 2675/3.6=2, 2685/4.6=2 HA LYS 47 - H ASN 60 lone 7 77 - 9 - 3.6/6795=4, 3.9/9415=1 Peak 6970 from nnoeabs.peaks (4.04, 7.73, 117.52 ppm; 4.49 A): 1 out of 6 assignments used, quality = 0.97: * HB3 SER 59 + H ASN 60 OK 97 100 - 97 - 4.6=94, 4.0/6967=25...(4) HA GLU 95 - H ASN 60 OK 30 81 - 37 - 3.0/9413=8, 4.1/9411=6...(10) HA GLU 16 - H ASN 60 OK 14 96 - 14 - 4.1/9412=3, 2681/4.6=3...(4) HA LEU 70 - H ASN 60 poor 10 70 - 14 - 4.0/9419=3, 4.0/9419=2...(4) HA LYS 20 - H ASN 60 lone 5 77 - 7 - 2676/3.6=1, 6964/4.6=1 HA GLU 17 - H ASN 60 lone 4 73 - 5 - Peak 6971 from nnoeabs.peaks (4.81, 7.73, 117.52 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 60 + H ASN 60 OK 100 100 - 100 - 3.0=100 HA TRP 92 - H ASN 60 OK 27 97 - 28 - 2703/4.0=5, 2696/4.0=4...(9) HA VAL 83 - H ASN 60 OK 26 77 - 33 - 3.0/9436=15, ~7352=3...(12) Peak 6972 from nnoeabs.peaks (2.89, 7.73, 117.52 ppm; 4.09 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ASN 60 + H ASN 60 OK 100 100 - 100 - 4.0=100 HE2 LYS 66 - H ASN 60 OK 28 100 - 29 - 2690/3.0=4, 3.6/9415=4...(11) HE3 LYS 66 - H ASN 60 OK 25 94 - 27 - 3.6/9415=4, 3.6/9415=4...(11) HE3 LYS 39 - H ASN 60 lone 5 77 - 7 - 3.5/9416=2 HE3 LYS 68 - H ASN 60 lone 4 73 - 5 - HE2 LYS 68 - H ASN 60 lone 3 65 - 4 - HE3 LYS 94 - H ASN 60 lone 2 61 - 4 - Peak 6973 from nnoeabs.peaks (3.06, 7.73, 117.52 ppm; 4.19 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASN 60 + H ASN 60 OK 100 100 - 100 - 4.0=100 HB3 ASN 26 - H ASN 60 OK 17 96 - 17 - 6993/4.6=6, 2691/3.0=3...(6) HD2 ARG 79 - H ASN 60 OK 10 84 - 12 - 5.3/9421=4, 2691/3.0=2 HD3 ARG 79 - H ASN 60 poor 9 77 - 12 - 5.3/9421=4, 2691/3.0=1, ~2691=1 HB3 HIS 105 - H ASN 60 lone 4 98 - 4 - 2691/3.0=1 HB3 HIS 106 - H ASN 60 lone 4 99 - 4 - Peak 6974 from nnoeabs.peaks (6.87, 7.73, 117.52 ppm; 5.20 A): 2 out of 5 assignments used, quality = 0.96: * HD21 ASN 60 + H ASN 60 OK 93 100 - 93 - 5.7=78, 1.7/6975=44...(9) HD1 TRP 92 + H ASN 60 OK 36 100 - 36 - 2692/3.0=13, 2706/4.0=7...(5) HE1 TYR 41 - H ASN 60 lone 6 70 - 9 - 6.4/10722=2 HE21 GLN 72 - H ASN 60 poor 6 57 - 11 - 5.7/6969=3, 3.5/9411=3 HE2 TYR 41 - H ASN 60 lone 5 61 - 7 - 6.4/10722=2 Peak 6975 from nnoeabs.peaks (7.37, 7.73, 117.52 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.81: * HD22 ASN 60 + H ASN 60 OK 81 100 - 81 - 5.7=64, 1.7/6974=23...(8) Peak 6976 from nnoeabs.peaks (8.58, 7.73, 117.52 ppm; 5.12 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 61 + H ASN 60 OK 100 100 - 100 - 4.6=100 H LYS 12 - H ASN 60 lone 7 77 - 8 - 2694/3.0=2, 2701/4.0=2 Peak 6977 from nnoeabs.peaks (6.87, 6.87, 113.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 60 + HD21 ASN 60 OK 100 100 - 100 Peak 6978 from nnoeabs.peaks (7.73, 6.87, 113.68 ppm; 5.18 A): 2 out of 5 assignments used, quality = 0.96: * H ASN 60 + HD21 ASN 60 OK 93 100 - 93 - 5.7=77, 6975/1.7=44...(9) H LEU 64 + HD21 ASN 60 OK 45 84 - 54 - 4.6/9464=16, 4.6/9439=10...(10) H SER 49 - HD21 ASN 60 OK 23 99 - 23 - 6984/1.7=5, 4.6/9426=3...(8) H GLU 37 - HD21 ASN 60 OK 23 90 - 25 - 6984/1.7=4, 2702/3.5=4...(8) H MET 74 - HD21 ASN 60 OK 13 73 - 18 - 6.0/9429=6, 4.8/9425=3...(6) Peak 6979 from nnoeabs.peaks (4.81, 6.87, 113.68 ppm; 4.72 A): 2 out of 3 assignments used, quality = 1.00: * HA ASN 60 + HD21 ASN 60 OK 100 100 - 100 - 4.5=100 HA TRP 92 + HD21 ASN 60 OK 50 97 - 52 - 4084=13, 6985/1.7=10...(9) HA VAL 83 - HD21 ASN 60 OK 28 77 - 36 - 3.0/9428=11, 3.2/9796=7...(7) Peak 6980 from nnoeabs.peaks (2.89, 6.87, 113.68 ppm; 3.71 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ASN 60 + HD21 ASN 60 OK 100 100 - 100 - 3.5=100 HE2 LYS 66 - HD21 ASN 60 OK 14 100 - 14 - 6986/1.7=4, 2704/3.5=3...(5) HE3 LYS 66 - HD21 ASN 60 OK 12 94 - 13 - 6986/1.7=3, ~6986=3...(5) HE3 LYS 39 - HD21 ASN 60 lone 2 77 - 3 - HE3 LYS 68 - HD21 ASN 60 lone 2 73 - 3 - HE2 LYS 68 - HD21 ASN 60 lone 2 65 - 2 - HE3 LYS 94 - HD21 ASN 60 lone 1 61 - 2 - Peak 6981 from nnoeabs.peaks (3.06, 6.87, 113.68 ppm; 4.13 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASN 60 + HD21 ASN 60 OK 100 100 - 100 - 3.5=100 HB3 ASN 26 - HD21 ASN 60 OK 11 96 - 11 - 6987/1.7=3, 2698/3.5=3...(5) HD2 ARG 79 - HD21 ASN 60 lone 7 84 - 8 - 6987/1.7=2, 2691/4.5=1...(5) HD3 ARG 79 - HD21 ASN 60 lone 6 77 - 7 - 6987/1.7=2, ~6987=1 HB3 HIS 105 - HD21 ASN 60 lone 4 98 - 4 - 6987/1.7=1 HB3 HIS 106 - HD21 ASN 60 lone 4 99 - 3 - 6987/1.7=1 Peak 6982 from nnoeabs.peaks (7.37, 6.87, 113.68 ppm; 2.45 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 60 + HD21 ASN 60 OK 100 100 - 100 - 1.7=100 Peak 6983 from nnoeabs.peaks (7.37, 7.37, 113.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 60 + HD22 ASN 60 OK 100 100 - 100 Peak 6984 from nnoeabs.peaks (7.73, 7.37, 113.68 ppm; 5.30 A): 2 out of 5 assignments used, quality = 0.95: * H ASN 60 + HD22 ASN 60 OK 92 100 - 92 - 5.7=83, 6974/1.7=27...(8) H LEU 64 + HD22 ASN 60 OK 34 84 - 41 - 4.6/9440=12, 6978/1.7=10...(8) H SER 49 - HD22 ASN 60 OK 22 99 - 22 - 6978/1.7=5, 2695/3.5=3...(6) H GLU 37 - HD22 ASN 60 OK 19 90 - 21 - 6978/1.7=5, 2702/3.5=4...(6) H MET 74 - HD22 ASN 60 OK 10 73 - 14 - 6978/1.7=3, 4.8/9430=3...(6) Peak 6985 from nnoeabs.peaks (4.81, 7.37, 113.68 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 60 + HD22 ASN 60 OK 100 100 - 100 - 4.5=100 HA TRP 92 - HD22 ASN 60 OK 39 97 - 40 - 6979/1.7=11, 2703/3.5=7...(8) HA VAL 83 - HD22 ASN 60 OK 23 77 - 30 - ~9428=8, 6979/1.7=6...(7) Peak 6986 from nnoeabs.peaks (2.89, 7.37, 113.68 ppm; 3.55 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ASN 60 + HD22 ASN 60 OK 100 100 - 100 - 3.5=100 HE2 LYS 66 - HD22 ASN 60 OK 13 100 - 13 - 6980/1.7=4, 2704/3.5=2...(5) HE3 LYS 66 - HD22 ASN 60 OK 11 94 - 12 - 6980/1.7=3, ~6980=2...(5) HE3 LYS 68 - HD22 ASN 60 lone 2 73 - 2 - HE3 LYS 39 - HD22 ASN 60 lone 2 77 - 2 - HE2 LYS 68 - HD22 ASN 60 lone 1 65 - 2 - HE3 LYS 94 - HD22 ASN 60 lone 1 61 - 1 - Peak 6987 from nnoeabs.peaks (3.06, 7.37, 113.68 ppm; 3.96 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASN 60 + HD22 ASN 60 OK 100 100 - 100 - 3.5=100 HB3 ASN 26 - HD22 ASN 60 poor 10 96 - 10 - 6981/1.7=3, 2698/3.5=2...(4) HD2 ARG 79 - HD22 ASN 60 lone 6 84 - 7 - 6981/1.7=2, ~6981=1...(4) HD3 ARG 79 - HD22 ASN 60 lone 5 77 - 6 - 6981/1.7=2, ~6981=1 HB3 HIS 105 - HD22 ASN 60 lone 4 98 - 4 - 6981/1.7=1 HB3 HIS 106 - HD22 ASN 60 lone 3 99 - 3 - 6981/1.7=1 Peak 6988 from nnoeabs.peaks (6.87, 7.37, 113.68 ppm; 2.48 A): 1 out of 5 assignments used, quality = 1.00: * HD21 ASN 60 + HD22 ASN 60 OK 100 100 - 100 - 1.7=100 HD1 TRP 92 - HD22 ASN 60 lone 8 100 - 8 - 2692/4.5=2, 2699/3.5=2...(4) HE21 GLN 72 - HD22 ASN 60 lone 3 57 - 6 - 4.4/9432=3, 5.7/9433=1 HE1 TYR 41 - HD22 ASN 60 lone 1 70 - 1 - HE2 TYR 41 - HD22 ASN 60 lone 0 61 - 1 - Peak 6989 from nnoeabs.peaks (8.58, 8.58, 119.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 61 + H ASP 61 OK 100 100 - 100 Peak 6990 from nnoeabs.peaks (7.73, 8.58, 119.43 ppm; 4.88 A): 2 out of 5 assignments used, quality = 1.00: * H ASN 60 + H ASP 61 OK 100 100 - 100 - 4.6=100 H LEU 64 + H ASP 61 OK 57 84 - 68 - 9441/3.0=21, 7027/4.5=20...(11) H GLU 37 - H ASP 61 OK 21 90 - 24 - 4.0/8799=6, 4.0/8799=6...(6) H SER 49 - H ASP 61 OK 18 99 - 18 - 2688/3.6=3, 9441/3.0=3...(6) H MET 74 - H ASP 61 lone 4 73 - 6 - 2688/3.6=1, 2695/4.4=1 Peak 6991 from nnoeabs.peaks (4.81, 8.58, 119.43 ppm; 3.17 A): 1 out of 3 assignments used, quality = 0.80: * HA ASN 60 + H ASP 61 OK 80 100 - 80 - 3.6=70, 3.0/2708=17...(5) HA TRP 92 - H ASP 61 lone 7 97 - 8 - 2703/4.4=3, 2696/4.4=3 HA VAL 83 - H ASP 61 lone 6 77 - 8 - 10938/9443=2, 6971/4.6=2...(4) Peak 6992 from nnoeabs.peaks (2.89, 8.58, 119.43 ppm; 3.90 A): 3 out of 7 assignments used, quality = 0.91: * HB2 ASN 60 + H ASP 61 OK 88 100 - 89 - 4.4=70, 1.8/2708=34...(5) HE2 LYS 66 + H ASP 61 OK 14 100 - 14 - 2690/3.6=3, 6972/4.6=3...(6) HE3 LYS 66 + H ASP 61 OK 12 94 - 13 - 2690/3.6=3, 6972/4.6=3...(6) HE3 LYS 39 - H ASP 61 lone 2 77 - 2 - HE3 LYS 68 - H ASP 61 lone 2 73 - 2 - HE2 LYS 68 - H ASP 61 lone 1 65 - 2 - HE3 LYS 94 - H ASP 61 lone 1 61 - 2 - Peak 6993 from nnoeabs.peaks (3.06, 8.58, 119.43 ppm; 3.64 A): 2 out of 6 assignments used, quality = 0.87: * HB3 ASN 60 + H ASP 61 OK 81 100 - 81 - 4.4=57, 3.0/6991=27...(5) HB3 ASN 26 + H ASP 61 OK 33 96 - 35 - 1174/3.0=7, 1.8/6998=6...(10) HD2 ARG 79 - H ASP 61 lone 5 84 - 6 - 9454/4.5=2, 6973/4.6=1 HD3 ARG 79 - H ASP 61 lone 4 77 - 5 - 9454/4.5=2 HB3 HIS 105 - H ASP 61 lone 2 98 - 2 - HB3 HIS 106 - H ASP 61 lone 2 99 - 2 - Peak 6996 from nnoeabs.peaks (4.37, 8.58, 119.43 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 61 + H ASP 61 OK 100 100 - 100 - 3.0=100 HA ASN 26 - H ASP 61 OK 35 96 - 37 - 3.0/6993=8, 2720/4.0=6...(11) HA ARG 81 - H ASP 61 OK 18 100 - 18 - 7002/4.5=3, 2720/4.0=2...(7) HA SER 102 - H ASP 61 lone 2 77 - 2 - Peak 6997 from nnoeabs.peaks (2.51, 8.58, 119.43 ppm; 3.68 A): 4 out of 9 assignments used, quality = 0.94: * HB2 ASP 61 + H ASP 61 OK 86 100 - 86 - 4.0=75, 4.4/7001=18...(6) HB3 ASP 36 + H ASP 61 OK 29 100 - 29 - 8799=6, 1.8/8799=6...(10) HB2 ASP 36 + H ASP 61 OK 29 99 - 29 - 8799=6, 1.8/8799=6...(10) HG3 GLU 63 + H ASP 61 OK 20 98 - 20 - 9423/4.4=4, 7003/4.5=4...(6) HG3 GLU 95 - H ASP 61 lone 4 73 - 5 - 9423/4.4=2, 9411/4.6=1 HB3 ASP 87 - H ASP 61 lone 3 87 - 3 - HB2 ASP 87 - H ASP 61 lone 3 87 - 3 - HG2 MET 74 - H ASP 61 lone 3 65 - 4 - 9423/4.4=1 HG3 GLU 23 - H ASP 61 lone 2 61 - 3 - Peak 6998 from nnoeabs.peaks (2.73, 8.58, 119.43 ppm; 4.01 A): 1 out of 4 assignments used, quality = 0.99: * HB3 ASP 61 + H ASP 61 OK 99 100 - 99 - 4.0=98, 4.4/7001=22...(5) HE2 LYS 82 - H ASP 61 OK 37 98 - 38 - 3.0/9443=19, 2712/3.0=8...(7) HB2 ASN 26 - H ASP 61 OK 37 99 - 37 - 1.8/6993=11, 1167/3.0=9...(8) HB2 ASP 65 - H ASP 61 lone 4 65 - 6 - 7004/4.5=4, 2712/3.0=1 Peak 6999 from nnoeabs.peaks (8.40, 8.58, 119.43 ppm; 3.75 A): 2 out of 2 assignments used, quality = 0.83: * H GLU 62 + H ASP 61 OK 80 100 - 80 - 4.5=57, 2723/4.0=16...(10) H THR 80 + H ASP 61 OK 15 90 - 17 - 2713/3.0=5, 9437/4.4=3...(6) Peak 7000 from nnoeabs.peaks (8.40, 8.40, 122.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 62 + H GLU 62 OK 100 100 - 100 Peak 7001 from nnoeabs.peaks (8.58, 8.40, 122.15 ppm; 3.74 A): 1 out of 2 assignments used, quality = 0.80: * H ASP 61 + H GLU 62 OK 80 100 - 80 - 4.5=57, 4.0/2723=16...(10) H LYS 12 - H GLU 62 lone 3 77 - 3 - Peak 7002 from nnoeabs.peaks (4.37, 8.40, 122.15 ppm; 3.99 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 61 + H GLU 62 OK 100 100 - 100 - 3.6=100 HA ASN 26 - H GLU 62 OK 37 96 - 39 - 3.0/9454=7, 2720/4.4=6...(9) HA ARG 81 - H GLU 62 OK 23 100 - 23 - 3.0/7310=4, 9456/4.5=3...(8) HA SER 102 - H GLU 62 lone 1 77 - 1 - Peak 7003 from nnoeabs.peaks (2.51, 8.40, 122.15 ppm; 3.52 A): 4 out of 9 assignments used, quality = 0.91: * HB2 ASP 61 + H GLU 62 OK 76 100 - 76 - 4.4=52, 1.8/2723=23...(9) HG3 GLU 63 + H GLU 62 OK 43 98 - 44 - 4.8/7010=19...(12) HB3 ASP 36 + H GLU 62 OK 19 100 - 20 - 2718=4, 1.8/2718=4...(6) HB2 ASP 36 + H GLU 62 OK 19 99 - 19 - 2718=4, 1.8/2718=4...(6) HG3 GLU 23 - H GLU 62 poor 10 61 - 16 - 2.9/7007=4, 1.8/7009=3...(6) HG3 GLU 95 - H GLU 62 poor 8 73 - 11 - 1.8/7009=2, 7023/4.5=2 HG2 MET 74 - H GLU 62 lone 5 65 - 8 - 7023/4.5=2, 3.4/7006=1 HB3 ASP 87 - H GLU 62 lone 2 87 - 2 - HB2 ASP 87 - H GLU 62 lone 2 87 - 2 - Peak 7004 from nnoeabs.peaks (2.73, 8.40, 122.15 ppm; 3.87 A): 4 out of 4 assignments used, quality = 0.94: * HB3 ASP 61 + H GLU 62 OK 85 100 - 85 - 4.4=68, 4.0/7001=22...(8) HB2 ASN 26 + H GLU 62 OK 31 99 - 32 - 1.8/9454=8, 1167/3.6=7...(8) HB2 ASP 65 + H GLU 62 OK 29 65 - 44 - 4.0/10735=16...(5) HE2 LYS 82 + H GLU 62 OK 18 98 - 18 - 2712/3.6=6, 6998/4.5=4...(5) Peak 7005 from nnoeabs.peaks (4.12, 8.40, 122.15 ppm; 3.13 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 62 + H GLU 62 OK 100 100 - 100 - 3.0=100 HA GLU 104 - H GLU 62 OK 19 99 - 19 - 2742/4.0=4, 2735/4.0=3...(8) HA GLU 99 - H GLU 62 lone 6 100 - 6 - 2735/4.0=1, 7014/4.5=1 Peak 7006 from nnoeabs.peaks (2.02, 8.40, 122.15 ppm; 3.08 A): 1 out of 9 assignments used, quality = 0.73: * HB2 GLU 62 + H GLU 62 OK 73 100 - 73 - 4.0=45, 1.8/7007=21...(9) HB2 GLU 35 - H GLU 62 lone 10 96 - 10 - 1.8/7007=3, 2726/3.0=2...(4) HB3 LYS 94 - H GLU 62 lone 8 97 - 8 - 2726/3.0=3, 2743/4.0=2 HB3 GLU 17 - H GLU 62 lone 6 94 - 6 - 2726/3.0=1, 2743/4.0=1 QE MET 74 - H GLU 62 lone 4 81 - 5 - 7015/4.5=1 HB2 GLN 50 - H GLU 62 lone 2 96 - 2 - HB2 GLU 44 - H GLU 62 lone 1 77 - 2 - HB3 GLU 44 - H GLU 62 lone 1 77 - 2 - HB3 MET 1 - H GLU 62 lone 1 84 - 2 - Peak 7007 from nnoeabs.peaks (2.09, 8.40, 122.15 ppm; 2.93 A): 3 out of 9 assignments used, quality = 0.77: * HB3 GLU 62 + H GLU 62 OK 70 100 - 70 - 4.0=39, 1.8/7006=21...(11) HB2 GLU 23 + H GLU 62 OK 14 100 - 14 - 2727/3.0=3, 2737/4.0=2...(6) HG3 GLU 104 + H GLU 62 OK 14 94 - 15 - 4543/3.0=3, 4.1/7005=2...(6) HB3 GLU 35 - H GLU 62 lone 9 96 - 10 - 1.8/7006=3, 2727/3.0=2...(5) HB3 GLU 88 - H GLU 62 lone 4 90 - 4 - HB2 GLU 16 - H GLU 62 lone 3 84 - 4 - QE MET 21 - H GLU 62 lone 3 92 - 3 - HB3 PRO 86 - H GLU 62 lone 2 73 - 3 - HB3 LEU 38 - H GLU 62 lone 1 73 - 1 - Peak 7008 from nnoeabs.peaks (2.26, 8.40, 122.15 ppm; 3.39 A): 3 out of 6 assignments used, quality = 0.95: HG3 GLU 62 + H GLU 62 OK 76 100 - 76 - 4.9=33, 2.9/7006=20...(10) * HG2 GLU 62 + H GLU 62 OK 76 100 - 76 - 4.9=33, 2.9/7006=20...(10) HG2 GLU 23 + H GLU 62 OK 15 97 - 16 - 2.9/7007=4, 2729/3.0=2...(8) HG2 GLU 95 - H GLU 62 lone 9 96 - 9 - 7018/4.5=2, 1.8/7003=2...(6) HG2 GLU 37 - H GLU 62 lone 4 99 - 4 - 2739/4.0=1, 2745/4.0=1 HG2 GLU 17 - H GLU 62 lone 3 61 - 5 - 3.0/7006=2 Peak 7009 from nnoeabs.peaks (2.26, 8.40, 122.15 ppm; 3.39 A): 3 out of 6 assignments used, quality = 0.95: * HG3 GLU 62 + H GLU 62 OK 76 100 - 76 - 4.9=33, 2.9/7006=20...(10) HG2 GLU 62 + H GLU 62 OK 76 100 - 76 - 4.9=33, 2.9/7006=20...(10) HG2 GLU 23 + H GLU 62 OK 15 97 - 16 - 2.9/7007=4, 2729/3.0=2...(8) HG2 GLU 95 - H GLU 62 lone 9 96 - 9 - 7018/4.5=2, 1.8/7003=2...(6) HG2 GLU 37 - H GLU 62 lone 4 99 - 4 - 2739/4.0=1, 2745/4.0=1 HG2 GLU 17 - H GLU 62 lone 3 61 - 5 - 3.0/7006=2 Peak 7010 from nnoeabs.peaks (8.38, 8.40, 122.15 ppm; 2.40 A): 1 out of 1 assignment used, quality = 0.61: * H GLU 63 + H GLU 62 OK 61 100 - 61 - 7013=43, 2747/4.0=7...(11) Peak 7011 from nnoeabs.peaks (7.72, 8.40, 122.15 ppm; 4.08 A): 2 out of 4 assignments used, quality = 0.95: * H LEU 64 + H GLU 62 OK 87 100 - 87 - 7027=41, 4.6/7010=29...(14) H ASN 60 + H GLU 62 OK 57 84 - 68 - 4.6/7001=21, 9435=17...(12) H ALA 25 - H GLU 62 OK 22 97 - 23 - 10742/3.0=4, 9441/3.6=4...(8) H SER 49 - H GLU 62 OK 15 96 - 15 - 7024/4.5=3, 9441/3.6=2...(5) Peak 7012 from nnoeabs.peaks (8.38, 8.38, 119.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 63 + H GLU 63 OK 100 100 - 100 Peak 7013 from nnoeabs.peaks (8.40, 8.38, 119.08 ppm; 2.46 A): 1 out of 2 assignments used, quality = 0.67: * H GLU 62 + H GLU 63 OK 67 100 - 67 - 7010=50, 4.0/2747=7...(11) H THR 80 - H GLU 63 lone 4 90 - 5 - 7027/4.6=1, 2724/3.6=1 Peak 7014 from nnoeabs.peaks (4.12, 8.38, 119.08 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 62 + H GLU 63 OK 100 100 - 100 - 3.6=100 HA GLU 104 - H GLU 63 OK 26 99 - 26 - 2742/4.6=6, 2735/4.6=5...(7) HA GLU 99 - H GLU 63 OK 13 100 - 12 - 7028/4.6=3, 7044/7045=2...(5) Peak 7015 from nnoeabs.peaks (2.02, 8.38, 119.08 ppm; 3.67 A): 3 out of 9 assignments used, quality = 0.87: * HB2 GLU 62 + H GLU 63 OK 82 100 - 82 - 4.6=50, 1.8/2747=30...(6) HB2 GLU 35 + H GLU 63 OK 17 96 - 18 - 1.8/7016=4, 2.9/7020=3...(6) QE MET 74 + H GLU 63 OK 14 81 - 17 - 3.4/10749=4, ~10235=3...(6) HB3 LYS 94 - H GLU 63 poor 10 97 - 10 - 2726/3.6=3, 2743/4.6=3 HB3 GLU 17 - H GLU 63 lone 7 94 - 7 - 2726/3.6=2, 2743/4.6=1 HB3 MET 1 - H GLU 63 lone 5 84 - 5 - 3.0/7020=1 HB2 GLN 50 - H GLU 63 lone 3 96 - 3 - HB2 GLU 44 - H GLU 63 lone 2 77 - 2 - HB3 GLU 44 - H GLU 63 lone 2 77 - 2 - Peak 7016 from nnoeabs.peaks (2.09, 8.38, 119.08 ppm; 3.64 A): 5 out of 9 assignments used, quality = 0.90: * HB3 GLU 62 + H GLU 63 OK 81 100 - 81 - 4.6=48, 1.8/2740=29...(6) HB3 GLU 35 + H GLU 63 OK 18 96 - 18 - 1.8/7015=4, 2.9/7020=3...(6) HB2 GLU 23 + H GLU 63 OK 15 100 - 15 - 2727/3.6=4, 2737/4.6=3...(4) HB2 GLU 16 + H GLU 63 OK 13 84 - 16 - 3.0/2786=7, ~2766=2...(5) HG3 GLU 104 + H GLU 63 OK 13 94 - 14 - 4543/3.6=4, 4.1/7014=3...(4) QE MET 21 - H GLU 63 lone 8 92 - 8 - 8537/10977=3, 8535=2 HB3 GLU 88 - H GLU 63 lone 6 90 - 7 - 2727/3.6=1, 9944/10977=1 HB3 PRO 86 - H GLU 63 lone 6 73 - 8 - 2.3/7020=2, ~2764=1 HB3 LEU 38 - H GLU 63 lone 2 73 - 3 - Peak 7017 from nnoeabs.peaks (2.26, 8.38, 119.08 ppm; 3.55 A): 4 out of 6 assignments used, quality = 0.94: HG3 GLU 62 + H GLU 63 OK 71 100 - 71 - 2.9/2747=23, 2.9/2740=22...(6) * HG2 GLU 62 + H GLU 63 OK 71 100 - 71 - 2.9/2747=23, 2.9/2740=22...(6) HG2 GLU 95 + H GLU 63 OK 21 96 - 22 - 2754=4, 1.8/7023=4...(8) HG2 GLU 23 + H GLU 63 OK 13 97 - 13 - 2.9/7016=3, 2728/3.6=2...(6) HG2 GLU 37 - H GLU 63 lone 4 99 - 4 - HG2 GLU 17 - H GLU 63 lone 2 61 - 4 - 3.0/7015=1 Peak 7018 from nnoeabs.peaks (2.26, 8.38, 119.08 ppm; 3.55 A): 4 out of 6 assignments used, quality = 0.94: * HG3 GLU 62 + H GLU 63 OK 71 100 - 71 - 2.9/2747=23, 2.9/2740=22...(6) HG2 GLU 62 + H GLU 63 OK 71 100 - 71 - 2.9/2747=23, 2.9/2740=22...(6) HG2 GLU 95 + H GLU 63 OK 21 96 - 22 - 2754=4, 1.8/7023=4...(8) HG2 GLU 23 + H GLU 63 OK 13 97 - 13 - 2.9/7016=3, 2728/3.6=2...(6) HG2 GLU 37 - H GLU 63 lone 4 99 - 4 - HG2 GLU 17 - H GLU 63 lone 2 61 - 4 - 3.0/7015=1 Peak 7019 from nnoeabs.peaks (3.91, 8.38, 119.08 ppm; 3.64 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 63 + H GLU 63 OK 100 100 - 100 - 2.9=100 HA ALA 89 - H GLU 63 OK 20 84 - 24 - 3.6/10977=11, 2780/4.0=2...(7) HA TYR 41 - H GLU 63 OK 18 84 - 21 - 3.0/10749=3, 2773/4.0=3...(9) HB3 SER 9 - H GLU 63 poor 10 87 - 11 - 2773/4.0=2, 2780/4.0=1...(4) HB2 SER 85 - H GLU 63 lone 8 90 - 9 - 2773/4.0=1, 2780/4.0=1 Peak 7020 from nnoeabs.peaks (2.20, 8.38, 119.08 ppm; 3.48 A): 5 out of 9 assignments used, quality = 0.94: * HB2 GLU 63 + H GLU 63 OK 88 100 - 88 - 4.0=64, 3.0/2793=26...(11) HB2 GLU 95 + H GLU 63 OK 20 97 - 21 - 2764/2.9=4, 2781/4.0=3...(8) HG3 GLU 35 + H GLU 63 OK 15 100 - 15 - 2.9/7015=3, 2.9/7016=3...(6) HG2 GLU 35 + H GLU 63 OK 15 100 - 15 - 2.9/7015=3, 2.9/7016=3...(6) HG3 PRO 86 + H GLU 63 OK 10 100 - 10 - 7031/4.6=2, 2764/2.9=2...(4) HG2 MET 1 - H GLU 63 lone 7 100 - 7 - 2764/2.9=1 HG2 GLU 43 - H GLU 63 lone 4 94 - 4 - HB3 GLU 75 - H GLU 63 lone 3 96 - 3 - HG2 GLU 98 - H GLU 63 lone 1 65 - 1 - Peak 7021 from nnoeabs.peaks (1.78, 8.38, 119.08 ppm; 3.82 A): 2 out of 7 assignments used, quality = 0.99: * HB3 GLU 63 + H GLU 63 OK 97 100 - 97 - 4.0=84, 1.8/2772=42...(13) HB2 LYS 66 + H GLU 63 OK 53 87 - 61 - 2884/2.9=14, ~2771=13...(15) HB3 LYS 82 - H GLU 63 OK 14 81 - 18 - 3.5/10932=5, 7032/4.6=3...(8) HB VAL 78 - H GLU 63 OK 13 100 - 13 - 7032/4.6=2, 2765/2.9=2...(6) HB ILE 56 - H GLU 63 OK 12 77 - 16 - 3.2/9457=3, 2.9/9457=2...(6) HG3 ARG 46 - H GLU 63 lone 8 94 - 8 - 2765/2.9=2, 2775/4.0=2 HG3 ARG 19 - H GLU 63 lone 3 65 - 5 - 2770/2.9=1 Peak 7022 from nnoeabs.peaks (2.29, 8.38, 119.08 ppm; 3.49 A): 3 out of 6 assignments used, quality = 0.91: * HG2 GLU 63 + H GLU 63 OK 85 100 - 85 - 4.8=39, 1.8/2793=35...(10) HG3 GLU 16 + H GLU 63 OK 30 100 - 30 - 2786=9, 2766/2.9=5...(8) HB2 GLU 48 + H GLU 63 OK 14 100 - 14 - 2766/2.9=3, 7033/4.6=2...(6) HB2 TYR 41 - H GLU 63 poor 8 61 - 13 - 3.0/7019=3, 1.8/10749=3...(6) HD3 ARG 81 - H GLU 63 lone 8 84 - 9 - 5.3/9456=2, 7033/4.6=1 HB2 TYR 4 - H GLU 63 lone 6 99 - 6 - 2766/2.9=1, 2783/4.0=1 Peak 7023 from nnoeabs.peaks (2.52, 8.38, 119.08 ppm; 3.45 A): 6 out of 8 assignments used, quality = 0.95: * HG3 GLU 63 + H GLU 63 OK 83 100 - 83 - 2793=45, 3.0/2772=26...(11) HB2 ASP 61 + H GLU 63 OK 40 98 - 41 - 4.4/7010=21, 3.0/9456=7...(8) HG3 GLU 95 + H GLU 63 OK 20 92 - 22 - 1.8/7018=4, 2.9/7020=3...(8) HG2 MET 74 + H GLU 63 OK 17 87 - 20 - ~10235=4, 1.8/10749=3...(8) HB3 ASP 36 + H GLU 63 OK 13 94 - 13 - 2718/4.5=2, 1.8/8798=2...(6) HB2 ASP 36 + H GLU 63 OK 12 92 - 13 - 1.8/8798=2, 2718/4.5=2...(6) HB3 ASP 87 - H GLU 63 lone 3 65 - 4 - HB2 ASP 87 - H GLU 63 lone 3 65 - 4 - Peak 7024 from nnoeabs.peaks (7.72, 8.38, 119.08 ppm; 3.30 A): 4 out of 4 assignments used, quality = 0.89: * H LEU 64 + H GLU 63 OK 77 100 - 77 - 7029=48, 4.6/2772=14...(13) H ASN 60 + H GLU 63 OK 30 84 - 36 - 9413/4.0=6, 10722/2.9=5...(11) H SER 49 + H GLU 63 OK 16 96 - 17 - 2768/2.9=3, 2778/4.0=2...(8) H ALA 25 + H GLU 63 OK 16 97 - 16 - 10742/3.6=2, 2768/2.9=2...(7) Peak 7025 from nnoeabs.peaks (7.92, 8.38, 119.08 ppm; 5.41 A): 1 out of 3 assignments used, quality = 0.95: * H ASP 65 + H GLU 63 OK 95 100 - 95 - 7045=50, 4.6/7029=39...(15) H GLN 72 - H GLU 63 OK 17 87 - 20 - 7041/4.6=7, 10751/2.9=4...(4) H GLU 69 - H GLU 63 poor 8 65 - 12 - 7041/4.6=4, 2731/3.6=2 Peak 7026 from nnoeabs.peaks (7.72, 7.72, 120.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + H LEU 64 OK 100 100 - 100 Peak 7027 from nnoeabs.peaks (8.40, 7.72, 120.36 ppm; 3.40 A): 2 out of 2 assignments used, quality = 0.73: * H GLU 62 + H LEU 64 OK 68 100 - 68 - 7010/4.6=19, 7011=14...(13) H THR 80 + H LEU 64 OK 15 90 - 17 - 4.0/9468=7, 10754/4.5=5...(4) Peak 7028 from nnoeabs.peaks (4.12, 7.72, 120.36 ppm; 4.75 A): 3 out of 3 assignments used, quality = 0.89: * HA GLU 62 + H LEU 64 OK 82 100 - 82 - 3.6/7029=40, 3.0/7027=36...(10) HA GLU 104 + H LEU 64 OK 26 99 - 27 - 7044/4.6=7, 11076/4.5=6...(8) HA GLU 99 + H LEU 64 OK 19 100 - 19 - 7044/4.6=6, 3.0/7042=4...(4) Peak 7029 from nnoeabs.peaks (8.38, 7.72, 120.36 ppm; 3.34 A): 1 out of 1 assignment used, quality = 0.72: * H GLU 63 + H LEU 64 OK 72 100 - 72 - 4.6=39, 2772/4.6=15...(13) Peak 7030 from nnoeabs.peaks (3.91, 7.72, 120.36 ppm; 4.34 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 63 + H LEU 64 OK 100 100 - 100 - 3.6=100 HA ALA 89 - H LEU 64 OK 21 84 - 25 - 2.1/9938=4, 7019/4.6=3...(9) HA TYR 41 - H LEU 64 OK 16 84 - 19 - 2773/4.6=4, 2780/4.6=3...(6) HB3 SER 9 - H LEU 64 OK 12 87 - 14 - 2773/4.6=2, 7046/4.6=2...(7) HB2 SER 85 - H LEU 64 OK 10 90 - 11 - 2773/4.6=2, 2780/4.6=2...(4) Peak 7031 from nnoeabs.peaks (2.20, 7.72, 120.36 ppm; 3.78 A): 3 out of 9 assignments used, quality = 0.86: * HB2 GLU 63 + H LEU 64 OK 80 100 - 80 - 4.6=54, 4.0/7029=24...(8) HG3 PRO 86 + H LEU 64 OK 21 100 - 21 - 2.3/7036=4, 2.3/7036=3...(10) HB2 GLU 95 + H LEU 64 OK 15 97 - 15 - 2764/3.6=4, 2781/4.6=3...(6) HG2 GLU 35 - H LEU 64 lone 8 100 - 8 - 2764/3.6=2, 7020/4.6=2 HG3 GLU 35 - H LEU 64 lone 8 100 - 8 - 2764/3.6=2, 7020/4.6=2 HG2 MET 1 - H LEU 64 lone 5 100 - 5 - 2764/3.6=1 HB3 GLU 75 - H LEU 64 lone 3 96 - 4 - HG2 GLU 43 - H LEU 64 lone 3 94 - 3 - HG2 GLU 98 - H LEU 64 lone 2 65 - 3 - 4.9/7042=1 Peak 7032 from nnoeabs.peaks (1.78, 7.72, 120.36 ppm; 4.08 A): 2 out of 7 assignments used, quality = 0.96: * HB3 GLU 63 + H LEU 64 OK 91 100 - 91 - 4.6=68, 4.0/7029=28...(15) HB2 LYS 66 + H LEU 64 OK 54 87 - 63 - 2884/3.6=13, 4.0/7042=13...(15) HB3 LYS 82 - H LEU 64 OK 37 81 - 46 - 9758/4.5=6, 3.5/10933=6...(16) HB VAL 78 - H LEU 64 OK 34 100 - 34 - 2.1/7040=7, 10287/4.5=5...(10) HB ILE 56 - H LEU 64 OK 13 77 - 16 - 2770/3.6=2, 10759/3.0=2...(7) HG3 ARG 46 - H LEU 64 OK 10 94 - 11 - 4.1/12313=3, 2765/3.6=2 HG3 ARG 19 - H LEU 64 lone 6 65 - 9 - 2770/3.6=1, 4.9/7042=1 Peak 7033 from nnoeabs.peaks (2.29, 7.72, 120.36 ppm; 4.59 A): 5 out of 6 assignments used, quality = 0.93: * HG2 GLU 63 + H LEU 64 OK 78 100 - 78 - 4.8/7029=29, 3.0/7031=21...(12) HB2 GLU 48 + H LEU 64 OK 36 100 - 36 - 2236=8, 2766/3.6=4...(12) HG3 GLU 16 + H LEU 64 OK 34 100 - 35 - 2786/4.6=7, 2766/3.6=7...(8) HD3 ARG 81 + H LEU 64 OK 18 84 - 21 - 5.3/9470=5, 3.0/7040=4...(9) HB2 TYR 4 + H LEU 64 OK 11 99 - 11 - 2766/3.6=2, 2783/4.6=2...(5) HB2 TYR 41 - H LEU 64 poor 9 61 - 14 - 3.0/7030=3, 2766/3.6=3...(5) Peak 7034 from nnoeabs.peaks (2.52, 7.72, 120.36 ppm; 4.55 A): 2 out of 8 assignments used, quality = 0.93: * HG3 GLU 63 + H LEU 64 OK 80 100 - 80 - 2793/4.6=29, 2794/3.6=23...(10) HB2 ASP 61 + H LEU 64 OK 63 98 - 64 - 4.4/7027=25, 3.0/9441=21...(11) HG3 GLU 95 - H LEU 64 OK 20 92 - 22 - 2767/3.6=5, 2777/4.6=4...(5) HG2 MET 74 - H LEU 64 OK 19 87 - 22 - 1.8/10237=6, 2767/3.6=4...(5) HB3 ASP 36 - H LEU 64 OK 15 94 - 16 - 2767/3.6=2, 8798/4.6=2...(7) HB2 ASP 36 - H LEU 64 OK 14 92 - 15 - 2767/3.6=2, 8798/4.6=2...(7) HB3 ASP 87 - H LEU 64 lone 3 65 - 5 - 4.6/6391=1 HB2 ASP 87 - H LEU 64 lone 3 65 - 5 - 4.6/6391=1 Peak 7035 from nnoeabs.peaks (3.75, 7.72, 120.36 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + H LEU 64 OK 100 100 - 100 - 3.0=100 Peak 7036 from nnoeabs.peaks (2.11, 7.72, 120.36 ppm; 3.24 A): 4 out of 11 assignments used, quality = 0.92: * HB2 LEU 64 + H LEU 64 OK 85 100 - 85 - 3.9=56, 1.8/2818=16...(16) HB VAL 83 + H LEU 64 OK 25 100 - 25 - 2802/3.0=4, ~9476=4...(9) HB2 PRO 86 + H LEU 64 OK 17 97 - 18 - 2.3/7031=3, 2802/3.0=2...(8) HB3 PRO 86 + H LEU 64 OK 16 96 - 17 - 2.3/7031=3, 2802/3.0=2...(7) HB3 GLU 69 - H LEU 64 lone 8 81 - 9 - 4.0/7041=2, 2802/3.0=1 HB2 GLU 69 - H LEU 64 lone 8 81 - 9 - 4.0/7041=2, 2802/3.0=1 HG3 GLU 104 - H LEU 64 lone 5 77 - 7 - 4.1/7028=2 HG3 GLU 37 - H LEU 64 lone 5 100 - 5 - HG2 GLU 69 - H LEU 64 lone 5 81 - 6 - 5.1/7041=1 QE MET 21 - H LEU 64 lone 5 81 - 6 - HB3 GLU 37 - H LEU 64 lone 3 84 - 4 - Peak 7037 from nnoeabs.peaks (1.49, 7.72, 120.36 ppm; 3.05 A): 3 out of 11 assignments used, quality = 0.95: * HB3 LEU 64 + H LEU 64 OK 79 100 - 79 - 3.9=46, 1.8/7036=15...(18) HG LEU 64 + H LEU 64 OK 66 92 - 72 - 4.8=25, 2827/3.0=16...(12) HG2 LYS 66 + H LEU 64 OK 32 100 - 33 - 4.8/7042=6, 3.7/12313=4...(15) HG3 LYS 66 - H LEU 64 OK 32 100 - 32 - 4.8/7042=6, 3.7/12313=4...(15) HG3 LYS 24 - H LEU 64 poor 7 65 - 11 - 3.7/1059=2, 1.8/1094=2...(4) HG LEU 57 - H LEU 64 lone 4 90 - 4 - HG2 LYS 47 - H LEU 64 lone 3 100 - 3 - HG2 LYS 73 - H LEU 64 lone 3 100 - 3 - HB2 ARG 91 - H LEU 64 lone 3 99 - 3 - HG3 LYS 13 - H LEU 64 lone 2 97 - 2 - HG3 LYS 33 - H LEU 64 lone 1 81 - 1 - Peak 7038 from nnoeabs.peaks (1.48, 7.72, 120.36 ppm; 3.05 A): 3 out of 12 assignments used, quality = 0.95: * HG LEU 64 + H LEU 64 OK 74 100 - 74 - 4.8=25, 2827/3.0=19...(13) HB3 LEU 64 + H LEU 64 OK 72 92 - 79 - 3.9=46, 1.8/7036=15...(17) HG2 LYS 66 + H LEU 64 OK 28 90 - 31 - 4.8/7042=6, 3.7/12313=4...(15) HG3 LYS 66 - H LEU 64 OK 26 84 - 31 - 4.8/7042=6, 3.7/12313=4...(15) HB2 ARG 91 - H LEU 64 lone 3 98 - 3 - HD3 LYS 40 - H LEU 64 lone 3 77 - 3 - HG2 LYS 47 - H LEU 64 lone 3 90 - 3 - HD2 LYS 40 - H LEU 64 lone 2 73 - 3 - HG2 LYS 73 - H LEU 64 lone 2 87 - 3 - HG3 LYS 53 - H LEU 64 lone 2 87 - 2 - HG3 LYS 13 - H LEU 64 lone 1 70 - 2 - HG2 LYS 53 - H LEU 64 lone 1 70 - 2 - Peak 7039 from nnoeabs.peaks (0.86, 7.72, 120.36 ppm; 4.05 A): 1 out of 3 assignments used, quality = 0.96: * QD2 LEU 64 + H LEU 64 OK 96 100 - 96 - 4.5=72, ~2843=21...(17) QD1 LEU 103 - H LEU 64 OK 38 100 - 38 - 2805/3.0=8, 2815/3.9=7...(7) QD1 LEU 38 - H LEU 64 OK 28 100 - 28 - 2805/3.0=5, 2815/3.9=5...(6) Peak 7040 from nnoeabs.peaks (0.74, 7.72, 120.36 ppm; 3.78 A): 2 out of 9 assignments used, quality = 0.96: * QD1 LEU 64 + H LEU 64 OK 93 100 - 93 - 4.5=58, 2843/3.0=33...(15) QG1 VAL 78 + H LEU 64 OK 40 99 - 41 - 10906/4.5=17, 2806/3.0=7...(9) HG3 ARG 81 - H LEU 64 OK 22 100 - 22 - 3.9/9470=5, 2824/3.9=2...(8) QD2 LEU 27 - H LEU 64 OK 18 87 - 20 - 4.7/10489=5, 4.7/7042=2...(7) QG2 ILE 93 - H LEU 64 OK 14 94 - 14 - 10319/3.9=3, 2806/3.0=2...(6) HG13 ILE 93 - H LEU 64 OK 13 100 - 13 - 2806/3.0=3, 2816/3.9=2...(6) QG1 VAL 5 - H LEU 64 lone 4 77 - 6 - HG13 ILE 15 - H LEU 64 lone 4 84 - 4 - QD1 ILE 15 - H LEU 64 lone 3 65 - 4 - Peak 7041 from nnoeabs.peaks (7.92, 7.72, 120.36 ppm; 3.46 A): 3 out of 3 assignments used, quality = 0.87: * H ASP 65 + H LEU 64 OK 82 100 - 82 - 4.6=42, 7045/4.6=13...(16) H GLN 72 + H LEU 64 OK 20 87 - 23 - 2807/3.0=4, 2817/3.9=4...(8) H GLU 69 + H LEU 64 OK 12 65 - 19 - 2807/3.0=4, 2825/3.9=2...(7) Peak 7042 from nnoeabs.peaks (7.80, 7.72, 120.36 ppm; 4.32 A): 4 out of 6 assignments used, quality = 0.89: * H LYS 66 + H LEU 64 OK 82 100 - 82 - 7062=27, 7063/3.0=25...(15) H GLU 28 + H LEU 64 OK 21 99 - 21 - 4.6/10489=6, 7057/4.6=4...(6) H GLU 99 + H LEU 64 OK 13 96 - 14 - 3.0/7028=4, 7057/4.6=3 H SER 9 + H LEU 64 OK 10 94 - 11 - 2769/3.6=4, 7057/4.6=2 H LYS 20 - H LEU 64 lone 8 92 - 8 - 2769/3.6=2, 7057/4.6=2 HE ARG 30 - H LEU 64 lone 3 84 - 3 - Peak 7043 from nnoeabs.peaks (7.92, 7.92, 118.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 65 + H ASP 65 OK 100 100 - 100 Peak 7044 from nnoeabs.peaks (4.12, 7.92, 118.10 ppm; 3.73 A): 3 out of 3 assignments used, quality = 0.84: * HA GLU 62 + H ASP 65 OK 71 100 - 71 - 2731=26, 3.6/7045=20...(8) HA GLU 104 + H ASP 65 OK 28 99 - 29 - 2858/4.0=4, 2864/4.0=4...(11) HA GLU 99 + H ASP 65 OK 23 100 - 23 - 7060/4.6=6, 2858/4.0=5...(7) Peak 7045 from nnoeabs.peaks (8.38, 7.92, 118.10 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.82: * H GLU 63 + H ASP 65 OK 82 100 - 82 - 7029/4.6=27, 3.6/2731=24...(13) Peak 7046 from nnoeabs.peaks (3.91, 7.92, 118.10 ppm; 4.93 A): 4 out of 5 assignments used, quality = 0.92: * HA GLU 63 + H ASP 65 OK 87 100 - 87 - 2.9/7045=38, 10751=30...(12) HA TYR 41 + H ASP 65 OK 21 84 - 25 - 3.0/7056=4, 7061/4.6=4...(7) HA ALA 89 + H ASP 65 OK 17 84 - 20 - 7030/4.6=4, 7061/4.6=3...(6) HB3 SER 9 + H ASP 65 OK 15 87 - 17 - 7061/4.6=4, 4.0/7057=3...(6) HB2 SER 85 - H ASP 65 lone 9 90 - 10 - 7061/4.6=2, 7030/4.6=2 Peak 7047 from nnoeabs.peaks (7.72, 7.92, 118.10 ppm; 3.21 A): 4 out of 4 assignments used, quality = 0.87: * H LEU 64 + H ASP 65 OK 75 100 - 75 - 4.6=33, 4.6/7045=11...(16) H ALA 25 + H ASP 65 OK 31 97 - 32 - 12294/3.0=14, 2800/3.6=4...(7) H ASN 60 + H ASP 65 OK 13 84 - 16 - 2800/3.6=2, 7024/7045=2...(7) H SER 49 + H ASP 65 OK 13 96 - 14 - 2800/3.6=2, 2818/4.6=2...(5) Peak 7048 from nnoeabs.peaks (3.75, 7.92, 118.10 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + H ASP 65 OK 100 100 - 100 - 3.6=100 Peak 7049 from nnoeabs.peaks (2.11, 7.92, 118.10 ppm; 3.10 A): 3 out of 11 assignments used, quality = 0.79: * HB2 LEU 64 + H ASP 65 OK 73 100 - 73 - 4.6=30, 1.8/2825=14...(16) HB VAL 83 + H ASP 65 OK 13 100 - 13 - 2802/3.6=3, 2820/4.6=2...(5) HB2 PRO 86 + H ASP 65 OK 10 97 - 10 - 2802/3.6=2, 12286/4.6=1...(5) HB3 PRO 86 - H ASP 65 lone 9 96 - 9 - 2802/3.6=2, 2820/4.6=1...(5) HG3 GLU 104 - H ASP 65 poor 8 77 - 10 - 4.1/7044=3, 3.0/9492=2 HB3 GLU 69 - H ASP 65 lone 6 81 - 8 - 12286/4.6=1 HB2 GLU 69 - H ASP 65 lone 6 81 - 8 - 12286/4.6=1 HG2 GLU 69 - H ASP 65 lone 4 81 - 5 - HG3 GLU 37 - H ASP 65 lone 4 100 - 4 - QE MET 21 - H ASP 65 lone 3 81 - 4 - HB3 GLU 37 - H ASP 65 lone 2 84 - 3 - Peak 7050 from nnoeabs.peaks (1.49, 7.92, 118.10 ppm; 3.19 A): 4 out of 11 assignments used, quality = 0.96: * HB3 LEU 64 + H ASP 65 OK 74 100 - 75 - 4.6=33, 1.8/7049=19...(15) HG LEU 64 + H ASP 65 OK 63 92 - 69 - 2827/3.6=15, 3.0/2817=14...(13) HG2 LYS 66 + H ASP 65 OK 38 100 - 38 - 3.0/10777=9, 4.8/7064=9...(13) HG3 LYS 66 + H ASP 65 OK 38 100 - 38 - 3.0/10777=9, 4.8/7064=9...(13) HG LEU 57 - H ASP 65 lone 4 90 - 5 - HG2 LYS 47 - H ASP 65 lone 4 100 - 3 - HG2 LYS 73 - H ASP 65 lone 3 100 - 3 - HB2 ARG 91 - H ASP 65 lone 3 99 - 3 - HG3 LYS 13 - H ASP 65 lone 2 97 - 2 - HG3 LYS 24 - H ASP 65 lone 2 65 - 3 - HG3 LYS 33 - H ASP 65 lone 1 81 - 1 - Peak 7051 from nnoeabs.peaks (1.48, 7.92, 118.10 ppm; 3.19 A): 4 out of 12 assignments used, quality = 0.96: * HG LEU 64 + H ASP 65 OK 70 100 - 70 - 2827/3.6=18, 3.0/2817=14...(13) HB3 LEU 64 + H ASP 65 OK 68 92 - 74 - 4.6=33, 1.8/7049=19...(14) HG2 LYS 66 + H ASP 65 OK 33 90 - 37 - 3.0/10777=9, 4.8/7064=9...(12) HG3 LYS 66 + H ASP 65 OK 31 84 - 37 - 3.0/10777=9, 4.8/7064=9...(12) HG3 LYS 53 - H ASP 65 lone 4 87 - 5 - ~2856=1 HB2 ARG 91 - H ASP 65 lone 3 98 - 3 - HG2 LYS 53 - H ASP 65 lone 3 70 - 4 - ~2856=1 HG2 LYS 47 - H ASP 65 lone 3 90 - 3 - HD3 LYS 40 - H ASP 65 lone 3 77 - 4 - HD2 LYS 40 - H ASP 65 lone 3 73 - 4 - HG2 LYS 73 - H ASP 65 lone 3 87 - 3 - HG3 LYS 13 - H ASP 65 lone 1 70 - 2 - Peak 7052 from nnoeabs.peaks (0.86, 7.92, 118.10 ppm; 3.78 A): 2 out of 3 assignments used, quality = 0.94: * QD2 LEU 64 + H ASP 65 OK 88 100 - 88 - 4.9=45, 3.1/2817=19...(15) QD1 LEU 103 + H ASP 65 OK 47 100 - 47 - 2841=7, 9503/3.0=7...(16) QD1 LEU 38 - H ASP 65 OK 26 100 - 25 - 2805/3.6=4, 2815/4.6=4...(8) Peak 7053 from nnoeabs.peaks (0.74, 7.92, 118.10 ppm; 4.05 A): 2 out of 9 assignments used, quality = 0.97: * QD1 LEU 64 + H ASP 65 OK 95 100 - 95 - 4.9=55, 2843/3.6=32...(19) QG1 VAL 78 + H ASP 65 OK 44 99 - 45 - 10906/4.9=17, 2806/3.6=6...(11) QD2 LEU 27 - H ASP 65 OK 20 87 - 22 - 4.7/7057=4, 1219/4.6=3...(11) HG3 ARG 81 - H ASP 65 OK 16 100 - 16 - 2824/4.6=2, 2816/4.6=2...(7) HG13 ILE 93 - H ASP 65 OK 15 100 - 15 - 2806/3.6=2, 2816/4.6=2...(7) QG2 ILE 93 - H ASP 65 OK 14 94 - 15 - 10319/4.6=2, 2806/3.6=2...(7) QG1 VAL 5 - H ASP 65 lone 8 77 - 10 - 9504/3.0=1 HG13 ILE 15 - H ASP 65 lone 4 84 - 4 - QD1 ILE 15 - H ASP 65 lone 3 65 - 5 - 8436/4.6=1 Peak 7054 from nnoeabs.peaks (4.31, 7.92, 118.10 ppm; 3.12 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 65 + H ASP 65 OK 100 100 - 100 - 3.0=100 HA GLU 28 - H ASP 65 OK 19 100 - 19 - 3.0/7057=4, 2860/4.0=3...(8) HA LEU 103 - H ASP 65 OK 13 87 - 15 - 3.9/7052=4, 3.6/10773=2...(8) Peak 7055 from nnoeabs.peaks (2.71, 7.92, 118.10 ppm; 2.91 A): 1 out of 2 assignments used, quality = 0.65: * HB2 ASP 65 + H ASP 65 OK 65 100 - 65 - 4.0=39, 1.8/7056=21...(9) HB3 ASP 61 - H ASP 65 poor 10 65 - 15 - 4.4/10735=4, 1.8/10768=3...(6) Peak 7056 from nnoeabs.peaks (2.64, 7.92, 118.10 ppm; 3.11 A): 2 out of 4 assignments used, quality = 0.78: * HB3 ASP 65 + H ASP 65 OK 73 100 - 73 - 4.0=48, 1.8/7055=32...(8) HB3 ASP 77 + H ASP 65 OK 19 98 - 20 - 2865=7, 2853/3.0=4...(5) HB3 TYR 41 - H ASP 65 lone 9 100 - 9 - 2853/3.0=2, 3.0/7046=2 HG3 MET 74 - H ASP 65 lone 2 65 - 3 - Peak 7057 from nnoeabs.peaks (7.80, 7.92, 118.10 ppm; 3.18 A): 3 out of 6 assignments used, quality = 0.82: * H LYS 66 + H ASP 65 OK 75 100 - 75 - 7064=34, 7066/4.0=16...(18) H GLU 28 + H ASP 65 OK 20 99 - 20 - 6454/3.0=5, 3.0/7054=4...(6) H GLU 99 + H ASP 65 OK 13 96 - 13 - 3.0/7044=4, 2863/4.0=2...(5) H SER 9 - H ASP 65 lone 9 94 - 10 - 4.0/7046=1, 4.4/9492=1 H LYS 20 - H ASP 65 lone 7 92 - 8 - HE ARG 30 - H ASP 65 lone 2 84 - 3 - Peak 7058 from nnoeabs.peaks (8.48, 7.92, 118.10 ppm; 4.40 A): 5 out of 6 assignments used, quality = 0.95: * H ALA 67 + H ASP 65 OK 90 100 - 90 - 7082=29, 7081/3.6=28...(17) H VAL 54 + H ASP 65 OK 19 92 - 21 - 10772/3.0=4, 9241/4.0=4...(6) H VAL 32 + H ASP 65 OK 19 100 - 19 - 7077/4.6=5, 10772/3.0=3...(6) H ARG 79 + H ASP 65 OK 12 61 - 20 - 4.3/7053=5, 4.4/10766=3...(8) H LYS 53 + H ASP 65 OK 10 84 - 12 - 10772/3.0=3, 7077/4.6=2 H THR 31 - H ASP 65 lone 6 73 - 8 - 7077/4.6=1 Peak 7059 from nnoeabs.peaks (7.80, 7.80, 119.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 66 + H LYS 66 OK 100 100 - 100 Peak 7060 from nnoeabs.peaks (4.12, 7.80, 119.34 ppm; 3.39 A): 3 out of 3 assignments used, quality = 0.56: * HA GLU 62 + H LYS 66 OK 35 100 - 35 - 2731/4.6=11, 2732/4.6=9...(6) HA GLU 99 + H LYS 66 OK 21 100 - 21 - 4398=7, 2858/4.6=3...(7) HA GLU 104 + H LYS 66 OK 13 99 - 13 - 7044/4.6=3, 2858/4.6=3...(4) Peak 7061 from nnoeabs.peaks (3.91, 7.80, 119.34 ppm; 3.78 A): 4 out of 5 assignments used, quality = 0.85: * HA GLU 63 + H LYS 66 OK 77 100 - 77 - 2769=26, 10240/3.0=16...(15) HB3 SER 9 + H LYS 66 OK 16 87 - 19 - 339=3, 1.8/334=2...(7) HA TYR 41 + H LYS 66 OK 14 84 - 17 - 3.0/7067=3, 7046/4.6=2...(6) HA ALA 89 + H LYS 66 OK 13 84 - 15 - 2884/4.0=2, 2896/4.0=2...(5) HB2 SER 85 - H LYS 66 lone 7 90 - 8 - 2884/4.0=1, 2896/4.0=1 Peak 7062 from nnoeabs.peaks (7.72, 7.80, 119.34 ppm; 4.00 A): 3 out of 4 assignments used, quality = 0.88: * H LEU 64 + H LYS 66 OK 77 100 - 77 - 7042=24, 3.0/7063=21...(15) H ALA 25 + H LYS 66 OK 36 97 - 37 - 12294/3.6=19, 7047/4.6=6...(7) H ASN 60 + H LYS 66 OK 18 84 - 21 - 12313/3.0=3, 7047/4.6=2...(7) H SER 49 - H LYS 66 lone 10 96 - 10 - 7047/4.6=2, 12313/3.0=1...(4) Peak 7063 from nnoeabs.peaks (3.75, 7.80, 119.34 ppm; 5.03 A): 1 out of 1 assignment used, quality = 0.88: * HA LEU 64 + H LYS 66 OK 88 100 - 88 - 3.6/7064=30, 7081/4.7=28...(20) Peak 7064 from nnoeabs.peaks (7.92, 7.80, 119.34 ppm; 3.12 A): 3 out of 3 assignments used, quality = 0.82: * H ASP 65 + H LYS 66 OK 73 100 - 73 - 4.6=32, 4.0/7066=15...(17) H GLU 69 + H LYS 66 OK 22 65 - 34 - 4.6/7078=7, 2881/3.0=6...(13) H GLN 72 + H LYS 66 OK 13 87 - 15 - 2850/3.6=2, 7082/4.7=2...(6) Peak 7065 from nnoeabs.peaks (4.31, 7.80, 119.34 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 65 + H LYS 66 OK 100 100 - 100 - 3.6=100 HA GLU 28 - H LYS 66 OK 35 100 - 35 - 1228=10, 3.0/1242=4...(12) HA LEU 103 - H LYS 66 OK 13 87 - 14 - 7054/4.6=2, 3.9/9506=2...(6) Peak 7066 from nnoeabs.peaks (2.71, 7.80, 119.34 ppm; 3.32 A): 1 out of 2 assignments used, quality = 0.68: * HB2 ASP 65 + H LYS 66 OK 68 100 - 68 - 4.6=37, 1.8/7067=24...(9) HB3 ASP 61 - H LYS 66 lone 5 65 - 7 - 7055/4.6=2, 2732/7060=1...(4) Peak 7067 from nnoeabs.peaks (2.64, 7.80, 119.34 ppm; 3.43 A): 3 out of 4 assignments used, quality = 0.80: * HB3 ASP 65 + H LYS 66 OK 73 100 - 73 - 4.6=41, 1.8/7066=35...(8) HB3 ASP 77 + H LYS 66 OK 19 98 - 19 - 2869=5, 2853/3.6=4...(5) HB3 TYR 41 + H LYS 66 OK 11 100 - 11 - 3.0/7061=3, 2853/3.6=2...(4) HG3 MET 74 - H LYS 66 lone 2 65 - 3 - Peak 7068 from nnoeabs.peaks (4.08, 7.80, 119.34 ppm; 3.13 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 66 + H LYS 66 OK 100 100 - 100 - 3.0=100 HA ARG 46 - H LYS 66 OK 30 99 - 30 - 2870=6, 2898/4.0=4...(12) HA PRO 86 - H LYS 66 OK 22 87 - 25 - 2.3/12286=3, 2886/4.0=3...(14) Peak 7069 from nnoeabs.peaks (1.77, 7.80, 119.34 ppm; 3.09 A): 5 out of 6 assignments used, quality = 0.89: * HB2 LYS 66 + H LYS 66 OK 74 100 - 74 - 4.0=45, 1.8/2897=17...(16) HB3 GLU 63 + H LYS 66 OK 31 87 - 36 - 3.0/7061=11, 4.6/7042=6...(11) HG3 ARG 19 + H LYS 66 OK 20 98 - 21 - 2872/3.0=2, 3.0/797=2...(7) HB ILE 56 + H LYS 66 OK 14 100 - 14 - 7086/4.7=3, 2872/3.0=2...(4) HB3 LYS 82 + H LYS 66 OK 11 100 - 11 - 1.8/9505=2, 2872/3.0=1 HB VAL 78 - H LYS 66 lone 6 81 - 8 - 10766/4.6=1 Peak 7070 from nnoeabs.peaks (1.86, 7.80, 119.34 ppm; 2.94 A): 4 out of 7 assignments used, quality = 0.86: * HB3 LYS 66 + H LYS 66 OK 71 100 - 71 - 4.0=38, 1.8/7069=15...(18) HB3 LYS 68 + H LYS 66 OK 28 92 - 30 - 4.0/7078=7, 2857/3.6=6...(10) HB2 LYS 12 + H LYS 66 OK 18 100 - 18 - 2873/3.0=2, 2888/4.0=2...(10) HB3 LYS 12 + H LYS 66 OK 18 99 - 18 - 2873/3.0=2, 2888/4.0=2...(10) HB3 LYS 39 - H LYS 66 lone 9 100 - 9 - 2857/3.6=1 HB VAL 5 - H LYS 66 lone 8 100 - 8 - 3.9/8163=1 HB3 GLU 104 - H LYS 66 lone 8 94 - 8 - 3.0/7060=4 Peak 7071 from nnoeabs.peaks (1.49, 7.80, 119.34 ppm; 3.11 A): 3 out of 11 assignments used, quality = 0.96: * HG2 LYS 66 + H LYS 66 OK 72 100 - 72 - 4.8=28, 3.0/2897=12...(20) HG3 LYS 66 + H LYS 66 OK 72 100 - 72 - 4.8=28, 3.0/2897=12...(20) HB3 LEU 64 + H LYS 66 OK 47 100 - 47 - 3.0/7063=11, 4.6/7064=9...(14) HG LEU 64 - H LYS 66 OK 36 90 - 41 - 4.3/7063=9, 4.8/7042=6...(15) HG LEU 57 - H LYS 66 lone 9 92 - 10 - 2.1/9506=2, ~9511=1 HG2 LYS 73 - H LYS 66 lone 6 100 - 6 - HB2 ARG 91 - H LYS 66 lone 5 99 - 5 - HG3 LYS 13 - H LYS 66 lone 5 98 - 5 - HG3 LYS 24 - H LYS 66 lone 4 70 - 6 - HG2 LYS 47 - H LYS 66 lone 4 100 - 3 - HG3 LYS 33 - H LYS 66 lone 1 84 - 1 - Peak 7072 from nnoeabs.peaks (1.49, 7.80, 119.34 ppm; 3.11 A): 3 out of 11 assignments used, quality = 0.96: * HG3 LYS 66 + H LYS 66 OK 72 100 - 72 - 4.8=28, 3.0/2897=12...(20) HG2 LYS 66 + H LYS 66 OK 72 100 - 72 - 4.8=28, 3.0/2897=12...(20) HB3 LEU 64 + H LYS 66 OK 46 100 - 47 - 3.0/7063=11, 4.6/7064=9...(14) HG LEU 64 - H LYS 66 OK 33 84 - 39 - 4.3/7063=9, 4.8/7042=6...(14) HG LEU 57 - H LYS 66 lone 9 96 - 10 - 2.1/9506=2, ~9511=1 HG2 LYS 73 - H LYS 66 lone 6 100 - 6 - HG3 LYS 13 - H LYS 66 lone 5 99 - 5 - HB2 ARG 91 - H LYS 66 lone 5 97 - 5 - HG3 LYS 24 - H LYS 66 lone 5 77 - 6 - HG2 LYS 47 - H LYS 66 lone 4 100 - 3 - HG3 LYS 33 - H LYS 66 lone 1 90 - 1 - Peak 7073 from nnoeabs.peaks (1.60, 7.80, 119.34 ppm; 4.74 A): 2 out of 13 assignments used, quality = 0.97: * HD2 LYS 66 + H LYS 66 OK 95 100 - 95 - 6.1=46, 2932/4.0=22...(23) HG LEU 27 + H LYS 66 OK 40 100 - 41 - 2.1/1219=7, 3.0/1203=6...(12) HG3 LYS 12 - H LYS 66 OK 40 97 - 41 - 3.0/7070=5, 3.0/7070=5...(13) HG2 ARG 19 - H LYS 66 OK 29 73 - 39 - 1.8/7069=6, 3.0/797=5...(14) HD3 LYS 94 - H LYS 66 OK 28 100 - 28 - 7090/4.7=3, 2876/3.0=3...(11) HB3 LEU 29 - H LYS 66 OK 22 99 - 22 - 4.0/6461=4, 8676/3.6=3...(7) HG3 LYS 73 - H LYS 66 OK 18 100 - 18 - 2903/4.0=2, 2891/4.0=2...(7) HB2 ARG 30 - H LYS 66 OK 17 100 - 17 - 2.9/10508=2, 3.6/10507=2...(8) HG2 LYS 24 - H LYS 66 OK 13 77 - 17 - 2903/4.0=2, 2891/4.0=2...(6) HB2 LEU 103 - H LYS 66 OK 13 73 - 18 - 3.1/9506=4, 4475/3.6=4...(4) HB2 ARG 79 - H LYS 66 OK 10 100 - 10 - 4.1/7077=2, 12329/1187=1 HG LEU 103 - H LYS 66 OK 10 61 - 17 - 2.1/9506=4, 3.7/7065=3...(4) HG3 LYS 90 - H LYS 66 lone 5 70 - 7 - Peak 7074 from nnoeabs.peaks (1.70, 7.80, 119.34 ppm; 3.82 A): 4 out of 16 assignments used, quality = 0.94: * HD3 LYS 66 + H LYS 66 OK 83 100 - 83 - 6.1=24, 2942/3.0=18...(20) HG2 PRO 86 + H LYS 66 OK 33 94 - 35 - 2.3/12286=4, 3.8/7068=4...(16) HG LEU 70 + H LYS 66 OK 29 100 - 30 - 2.1/9506=5, 2.1/9506=4...(13) HD3 LYS 12 + H LYS 66 OK 23 100 - 24 - 3.6/7070=3, 3.6/7070=3...(12) HD2 LYS 12 - H LYS 66 OK 23 100 - 24 - 3.6/7070=3, 3.6/7070=3...(12) HB2 LEU 2 - H LYS 66 OK 17 100 - 17 - 1.8/9505=2, 3.1/9506=2...(5) HB3 LEU 70 - H LYS 66 OK 15 81 - 19 - 3.1/9506=4, 3.1/9506=3...(8) HG12 ILE 15 - H LYS 66 OK 11 96 - 11 - 2.1/8436=3, 3.2/9506=2 HD3 LYS 24 - H LYS 66 OK 10 99 - 10 - 2904/4.0=1, 2877/3.0=1 HD2 LYS 24 - H LYS 66 OK 10 98 - 10 - 2877/3.0=1, 2904/4.0=1 HD2 LYS 13 - H LYS 66 lone 8 100 - 8 - HD3 LYS 13 - H LYS 66 lone 8 100 - 8 - 2904/4.0=1 HB3 LYS 53 - H LYS 66 lone 6 73 - 9 - 4.4/7077=3, 3.9/7077=2 HD3 LYS 90 - H LYS 66 lone 4 99 - 4 - HB3 ARG 91 - H LYS 66 lone 4 61 - 7 - HB3 LYS 40 - H LYS 66 lone 2 65 - 3 - Peak 7075 from nnoeabs.peaks (2.90, 7.80, 119.34 ppm; 4.61 A): 2 out of 9 assignments used, quality = 0.98: * HE2 LYS 66 + H LYS 66 OK 88 100 - 88 - 7.2=27, 4.7/2897=16...(19) HE3 LYS 66 + H LYS 66 OK 86 98 - 88 - 7.2=27, 4.7/2897=16...(19) HE3 LYS 68 - H LYS 66 OK 38 84 - 46 - 7.2/7078=8, 5.0/7070=5...(18) HE2 LYS 68 - H LYS 66 OK 35 77 - 45 - 7.2/7078=8, 5.0/7070=5...(18) HE2 LYS 20 - H LYS 66 OK 16 70 - 23 - 3.6/893=3, 3.6/882=2...(11) HE3 LYS 20 - H LYS 66 OK 15 65 - 23 - 3.6/893=3, 3.6/882=2...(11) HE3 LYS 94 - H LYS 66 OK 15 73 - 20 - 3.0/7073=3, 3.9/9505=2...(8) HB2 ASN 60 - H LYS 66 OK 12 100 - 12 - 4.0/7062=4, 12318/7061=1...(4) HE3 LYS 39 - H LYS 66 lone 6 65 - 9 - 3.5/9505=2, 4.9/7070=2 Peak 7076 from nnoeabs.peaks (2.90, 7.80, 119.34 ppm; 4.55 A): 2 out of 9 assignments used, quality = 0.98: * HE3 LYS 66 + H LYS 66 OK 87 100 - 87 - 7.2=26, 4.7/2897=15...(20) HE2 LYS 66 + H LYS 66 OK 85 98 - 87 - 7.2=26, 4.7/2897=15...(19) HE3 LYS 68 - H LYS 66 OK 44 97 - 46 - 7.2/7078=8, 5.0/7070=5...(19) HE2 LYS 68 - H LYS 66 OK 43 94 - 46 - 7.2/7078=8, 5.0/7070=5...(18) HE2 LYS 20 - H LYS 66 OK 21 90 - 24 - 3.6/893=3, 3.6/882=2...(11) HE3 LYS 20 - H LYS 66 OK 21 87 - 24 - 3.6/893=3, 3.6/882=2...(11) HE3 LYS 94 - H LYS 66 OK 19 92 - 21 - 3.0/7073=2, 3.9/9505=2...(8) HB2 ASN 60 - H LYS 66 OK 11 94 - 12 - 4.0/7062=4, 12318/7061=1 HE2 LYS 94 - H LYS 66 OK 11 61 - 18 - 3.0/7073=2, 3.9/9505=2...(8) Peak 7077 from nnoeabs.peaks (8.48, 7.80, 119.34 ppm; 3.04 A): 3 out of 6 assignments used, quality = 0.75: * H ALA 67 + H LYS 66 OK 65 100 - 65 - 4.7=28, 2907/4.0=7...(16) H VAL 32 + H LYS 66 OK 19 100 - 19 - 2895/4.0=2, 2907/4.0=2...(7) H VAL 54 + H LYS 66 OK 13 92 - 14 - 2895/4.0=2, 2907/4.0=2...(6) H LYS 53 - H LYS 66 lone 7 84 - 9 - 10772/3.6=1 H THR 31 - H LYS 66 lone 5 73 - 7 - H ARG 79 - H LYS 66 lone 5 61 - 8 - Peak 7078 from nnoeabs.peaks (8.19, 7.80, 119.34 ppm; 4.32 A): 3 out of 3 assignments used, quality = 0.90: * H LYS 68 + H LYS 66 OK 82 100 - 82 - 7101=25, 2855/3.6=22...(18) H ASP 36 + H LYS 66 OK 24 100 - 24 - 2855/3.6=5, 7096/4.7=3...(8) H GLU 43 + H LYS 66 OK 22 97 - 23 - 2855/3.6=4, 7096/4.7=4...(7) Peak 7079 from nnoeabs.peaks (8.48, 8.48, 121.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 67 + H ALA 67 OK 100 100 - 100 Peak 7080 from nnoeabs.peaks (3.91, 8.48, 121.56 ppm; 4.55 A): 4 out of 5 assignments used, quality = 0.84: * HA GLU 63 + H ALA 67 OK 74 100 - 74 - 10750=28, 10240/3.6=20...(8) HB3 SER 9 + H ALA 67 OK 16 87 - 19 - 4.0/7084=4, 7061/4.7=3...(5) HA TYR 41 + H ALA 67 OK 15 84 - 18 - 10583/4.6=4, 7061/4.7=3...(5) HA ALA 89 + H ALA 67 OK 12 84 - 15 - 7061/4.7=3, 2884/4.7=3...(4) HB2 SER 85 - H ALA 67 lone 7 90 - 8 - 2884/4.7=2, 7061/4.7=2 Peak 7081 from nnoeabs.peaks (3.75, 8.48, 121.56 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.87: * HA LEU 64 + H ALA 67 OK 87 100 - 87 - 2981/2.9=39, 2808=30...(15) Peak 7082 from nnoeabs.peaks (7.92, 8.48, 121.56 ppm; 4.15 A): 3 out of 3 assignments used, quality = 0.94: * H ASP 65 + H ALA 67 OK 87 100 - 87 - 3.6/7081=25, 7058=24...(17) H GLU 69 + H ALA 67 OK 40 65 - 61 - 4.6/7096=18, 7120=12...(17) H GLN 72 + H ALA 67 OK 25 87 - 29 - 7169/3.0=5, 10785/2.9=4...(9) Peak 7083 from nnoeabs.peaks (4.31, 8.48, 121.56 ppm; 5.43 A): 2 out of 3 assignments used, quality = 0.94: * HA ASP 65 + H ALA 67 OK 91 100 - 91 - 3.0/9523=33, 3.6/7077=27...(14) HA GLU 28 + H ALA 67 OK 30 100 - 30 - 7065/4.7=9, 3.0/7084=7...(8) HA LEU 103 - H ALA 67 OK 21 87 - 24 - 7100/4.6=6, 3.9/9519=5...(8) Peak 7084 from nnoeabs.peaks (7.80, 8.48, 121.56 ppm; 3.30 A): 4 out of 6 assignments used, quality = 0.84: * H LYS 66 + H ALA 67 OK 73 100 - 73 - 4.7=36, 4.0/2907=9...(16) H GLU 28 + H ALA 67 OK 17 99 - 18 - 3.0/7083=2, 2870/3.6=2...(6) H SER 9 + H ALA 67 OK 16 94 - 17 - 3.6/11115=2, 8346=2...(7) H LYS 20 + H ALA 67 OK 13 92 - 14 - 2885/4.7=2, 2897/4.7=2...(5) H GLU 99 - H ALA 67 lone 7 96 - 7 - 2870/3.6=1 HE ARG 30 - H ALA 67 lone 5 84 - 5 - Peak 7085 from nnoeabs.peaks (4.08, 8.48, 121.56 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 66 + H ALA 67 OK 100 100 - 100 - 3.6=100 HA ARG 46 - H ALA 67 OK 33 99 - 33 - 2880=6, 2886/4.7=6...(8) HA PRO 86 - H ALA 67 OK 22 87 - 26 - 2886/4.7=4, 2898/4.7=4...(9) Peak 7086 from nnoeabs.peaks (1.77, 8.48, 121.56 ppm; 3.59 A): 3 out of 6 assignments used, quality = 0.92: * HB2 LYS 66 + H ALA 67 OK 77 100 - 77 - 4.7=46, 1.8/2907=19...(15) HB ILE 56 + H ALA 67 OK 57 100 - 57 - ~9528=16, 10783/2.9=9...(16) HB3 GLU 63 + H ALA 67 OK 25 87 - 29 - 3.0/7080=12, 2872/3.6=4...(6) HB3 LYS 82 - H ALA 67 OK 16 100 - 16 - 1.8/7095=2, 10783/2.9=2...(6) HG3 ARG 19 - H ALA 67 OK 15 98 - 15 - 2872/3.6=3, 7069/4.7=2...(6) HB VAL 78 - H ALA 67 OK 11 81 - 14 - 10288/9518=2, 2.1/9520=2 Peak 7087 from nnoeabs.peaks (1.86, 8.48, 121.56 ppm; 3.59 A): 4 out of 7 assignments used, quality = 0.94: * HB3 LYS 66 + H ALA 67 OK 78 100 - 78 - 4.7=46, 1.8/2895=19...(15) HB3 LYS 68 + H ALA 67 OK 45 92 - 49 - 4.0/7096=16, 4.6/7120=9...(15) HB2 LYS 12 + H ALA 67 OK 28 100 - 28 - 3.0/7094=3, 10784/2.9=3...(12) HB3 LYS 12 + H ALA 67 OK 27 99 - 28 - 3.0/7094=3, 10784/2.9=3...(12) HB3 LYS 39 - H ALA 67 OK 17 100 - 17 - 10784/2.9=3, 7108/4.6=2...(5) HB VAL 5 - H ALA 67 OK 13 100 - 12 - 10784/2.9=2, 2.1/9520=1...(4) HB3 GLU 104 - H ALA 67 lone 5 94 - 5 - Peak 7088 from nnoeabs.peaks (1.49, 8.48, 121.56 ppm; 4.22 A): 3 out of 11 assignments used, quality = 0.98: * HG2 LYS 66 + H ALA 67 OK 74 100 - 74 - 3.0/2907=19, 3.0/2895=19...(17) HG3 LYS 66 + H ALA 67 OK 74 100 - 74 - 3.0/2907=19, 3.0/2895=19...(17) HB3 LEU 64 + H ALA 67 OK 67 100 - 67 - 3.0/7081=29, ~2981=16...(15) HG LEU 64 - H ALA 67 OK 42 90 - 47 - 4.3/7081=22, 3.0/9522=5...(13) HG LEU 57 - H ALA 67 OK 21 92 - 23 - 2.1/9519=7, ~9526=3...(7) HG2 LYS 73 - H ALA 67 lone 8 100 - 7 - HG3 LYS 13 - H ALA 67 lone 7 98 - 7 - HB2 ARG 91 - H ALA 67 lone 6 99 - 6 - HG3 LYS 24 - H ALA 67 lone 5 70 - 7 - HG2 LYS 47 - H ALA 67 lone 5 100 - 5 - HG3 LYS 33 - H ALA 67 lone 5 84 - 6 - 4.9/6514=3 Peak 7089 from nnoeabs.peaks (1.49, 8.48, 121.56 ppm; 4.22 A): 3 out of 11 assignments used, quality = 0.98: * HG3 LYS 66 + H ALA 67 OK 74 100 - 74 - 3.0/2907=19, 3.0/2895=19...(17) HG2 LYS 66 + H ALA 67 OK 74 100 - 74 - 3.0/2907=19, 3.0/2895=19...(17) HB3 LEU 64 + H ALA 67 OK 67 100 - 67 - 3.0/7081=29, ~2981=16...(15) HG LEU 64 - H ALA 67 OK 39 84 - 47 - 4.3/7081=22, 3.0/9522=5...(13) HG LEU 57 - H ALA 67 OK 22 96 - 23 - 2.1/9519=7, ~9526=3...(7) HG2 LYS 73 - H ALA 67 lone 8 100 - 8 - HG3 LYS 13 - H ALA 67 lone 7 99 - 7 - HB2 ARG 91 - H ALA 67 lone 6 97 - 6 - HG3 LYS 24 - H ALA 67 lone 6 77 - 8 - HG2 LYS 47 - H ALA 67 lone 5 100 - 5 - HG3 LYS 33 - H ALA 67 lone 5 90 - 6 - 4.9/6514=3 Peak 7090 from nnoeabs.peaks (1.60, 8.48, 121.56 ppm; 5.73 A): 3 out of 13 assignments used, quality = 0.97: * HD2 LYS 66 + H ALA 67 OK 87 100 - 87 - 3.6/2907=25, 3.6/2895=25...(13) HD3 LYS 94 + H ALA 67 OK 62 100 - 62 - 4242/3.0=6, ~2979=5...(25) HG3 LYS 12 + H ALA 67 OK 49 97 - 51 - 3.0/7087=6, 3.0/7087=6...(16) HG LEU 27 - H ALA 67 OK 31 100 - 31 - 1211/4.7=4, 2.1/9520=3...(14) HG2 ARG 19 - H ALA 67 OK 20 73 - 28 - 4.9/7084=4, 2891/4.7=4...(8) HB2 ARG 30 - H ALA 67 OK 19 100 - 19 - ~2979=2, 7073/4.7=2...(9) HB3 LEU 29 - H ALA 67 OK 19 99 - 19 - 2903/4.7=3, 2891/4.7=2...(6) HB2 LEU 103 - H ALA 67 OK 17 73 - 23 - 3.1/9519=6, 3.0/7083=6...(5) HG3 LYS 73 - H ALA 67 OK 16 100 - 15 - 2903/4.7=3, 2891/4.7=3...(5) HG LEU 103 - H ALA 67 OK 14 61 - 23 - 2.1/9519=7, 3.7/7083=5...(5) HG2 LYS 24 - H ALA 67 OK 12 77 - 15 - 2903/4.7=2, 2891/4.7=2...(6) HB2 ARG 79 - H ALA 67 OK 10 100 - 10 - 7073/4.7=1 HG3 LYS 90 - H ALA 67 lone 6 70 - 9 - Peak 7091 from nnoeabs.peaks (1.70, 8.48, 121.56 ppm; 4.48 A): 5 out of 16 assignments used, quality = 0.94: * HD3 LYS 66 + H ALA 67 OK 73 100 - 74 - 2942/3.6=20, 3.6/2907=18...(11) HG LEU 70 + H ALA 67 OK 38 100 - 39 - ~9526=5, ~2979=4...(13) HD2 LYS 12 + H ALA 67 OK 31 100 - 31 - 3.6/7087=5, 3.6/7087=4...(13) HD3 LYS 12 + H ALA 67 OK 31 100 - 31 - 3.6/7087=5, 3.6/7087=4...(13) HB3 LEU 70 + H ALA 67 OK 28 81 - 35 - ~2979=6, 2980/3.0=5...(15) HB2 LEU 2 - H ALA 67 OK 22 100 - 22 - 55/2.9=2, 1.8/7095=2...(11) HG2 PRO 86 - H ALA 67 OK 21 94 - 23 - 3831/3.6=4, 3.8/7085=4...(7) HB3 LYS 53 - H ALA 67 OK 16 73 - 22 - 1.8/2403=4, 3.0/2392=3...(8) HG12 ILE 15 - H ALA 67 OK 13 96 - 13 - ~10121=1, ~8446=1, ~644=1 HD2 LYS 24 - H ALA 67 lone 9 98 - 9 - 2904/4.7=1, 2892/4.7=1 HD3 LYS 24 - H ALA 67 lone 9 99 - 9 - 2904/4.7=1, 2892/4.7=1 HD2 LYS 13 - H ALA 67 lone 8 100 - 8 - 2904/4.7=1, 2892/4.7=1 HD3 LYS 13 - H ALA 67 lone 8 100 - 8 - 2904/4.7=1, 2892/4.7=1 HB3 LYS 40 - H ALA 67 poor 8 65 - 12 - 3.0/7094=3, ~2983=1, ~2979=1 HD3 LYS 90 - H ALA 67 lone 5 99 - 5 - HB3 ARG 91 - H ALA 67 lone 3 61 - 5 - Peak 7092 from nnoeabs.peaks (2.90, 8.48, 121.56 ppm; 6.50 A): 4 out of 9 assignments used, quality = 0.99: * HE2 LYS 66 + H ALA 67 OK 85 100 - 85 - 4.7/2907=25, 4.7/2895=25...(14) HE3 LYS 66 + H ALA 67 OK 83 98 - 84 - 4.7/2907=25, 4.7/2895=25...(15) HE3 LYS 68 + H ALA 67 OK 52 84 - 63 - 7.2/7096=22...(13) HE2 LYS 68 + H ALA 67 OK 47 77 - 61 - 7.2/7096=22...(13) HE3 LYS 94 - H ALA 67 OK 34 73 - 47 - 3.0/7090=7, ~4231=5...(15) HE2 LYS 20 - H ALA 67 OK 14 70 - 19 - 7.3/7084=3, 7076/4.7=3...(6) HE3 LYS 20 - H ALA 67 OK 13 65 - 19 - 7.3/7084=3, 7076/4.7=2...(6) HE3 LYS 39 - H ALA 67 OK 12 65 - 18 - 4.9/7087=4, 3.5/7095=3...(4) HB2 ASN 60 - H ALA 67 OK 12 100 - 12 - 12318/7080=2, 7075/4.7=2...(5) Peak 7093 from nnoeabs.peaks (2.90, 8.48, 121.56 ppm; 5.85 A): 4 out of 9 assignments used, quality = 0.99: * HE3 LYS 66 + H ALA 67 OK 80 100 - 80 - 4.7/2907=22, 4.7/2895=22...(15) HE2 LYS 66 + H ALA 67 OK 79 98 - 80 - 4.7/2907=22, 4.7/2895=22...(15) HE3 LYS 68 + H ALA 67 OK 55 97 - 57 - 7.2/7096=18, 6.3/12278=9...(12) HE2 LYS 68 + H ALA 67 OK 53 94 - 56 - 7.2/7096=18, 6.3/12278=9...(13) HE3 LYS 94 - H ALA 67 OK 40 92 - 43 - 3.0/7090=6, 3.9/7095=4...(16) HE2 LYS 94 - H ALA 67 OK 25 61 - 40 - 3.0/7090=6, 3.9/7095=4...(14) HE2 LYS 20 - H ALA 67 OK 16 90 - 18 - 7.3/7084=2, 7076/4.7=2...(6) HE3 LYS 20 - H ALA 67 OK 15 87 - 18 - 7.3/7084=2, 7076/4.7=2...(6) HB2 ASN 60 - H ALA 67 lone 9 94 - 10 - 12318/7080=2, 2893/4.7=1 Peak 7094 from nnoeabs.peaks (3.85, 8.48, 121.56 ppm; 3.53 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 67 + H ALA 67 OK 100 100 - 100 - 3.0=100 HA LYS 12 - H ALA 67 OK 19 100 - 19 - 3.0/7087=3, 3.0/7087=3...(9) HA ALA 71 - H ALA 67 OK 18 96 - 19 - 3.6/7097=4, 2974=3...(8) HA LYS 94 - H ALA 67 OK 16 87 - 19 - 2983/2.9=4, 3.7/7095=2...(6) HA LYS 40 - H ALA 67 OK 12 90 - 13 - 1779/4.6=3, 2983/2.9=2 HB3 SER 49 - H ALA 67 lone 3 100 - 3 - HA2 GLY 100 - H ALA 67 lone 2 87 - 3 - HA2 GLY 101 - H ALA 67 lone 2 87 - 2 - Peak 7095 from nnoeabs.peaks (1.34, 8.48, 121.56 ppm; 2.94 A): 1 out of 10 assignments used, quality = 1.00: * QB ALA 67 + H ALA 67 OK 100 100 - 100 - 2.9=100 HG3 LYS 68 - H ALA 67 OK 24 87 - 27 - 4.6/7096=8, 2.9/7087=4...(7) HG2 LYS 94 - H ALA 67 OK 19 100 - 19 - 4209/3.0=2, ~2979=2...(5) HB2 LYS 82 - H ALA 67 OK 11 98 - 12 - 1.8/7086=2, ~10783=1 HB3 LEU 27 - H ALA 67 OK 11 97 - 11 - 4.4/7084=2, 1203/4.7=2 HG2 LYS 39 - H ALA 67 OK 10 96 - 11 - 7105/4.6=2, 3.0/7087=2 HG LEU 14 - H ALA 67 OK 10 84 - 12 - 2.1/9520=2, 8407/3.6=1 HB3 LEU 2 - H ALA 67 lone 9 99 - 9 - QB ALA 25 - H ALA 67 lone 7 100 - 7 - 10334/3.0=2 QB ALA 89 - H ALA 67 lone 6 100 - 6 - 2.1/7080=1 Peak 7096 from nnoeabs.peaks (8.19, 8.48, 121.56 ppm; 3.36 A): 3 out of 3 assignments used, quality = 0.84: * H LYS 68 + H ALA 67 OK 78 100 - 78 - 4.6=40, 2985/2.9=20...(16) H GLU 43 + H ALA 67 OK 15 97 - 16 - 2985/2.9=3, 2977/3.0=3...(4) H ASP 36 + H ALA 67 OK 14 100 - 14 - 2985/2.9=3, 7078/4.7=2...(4) Peak 7097 from nnoeabs.peaks (7.90, 8.48, 121.56 ppm; 4.15 A): 3 out of 3 assignments used, quality = 0.91: * H GLU 69 + H ALA 67 OK 74 100 - 74 - 7120=26, 7122/4.6=18...(17) H ASP 65 + H ALA 67 OK 49 65 - 75 - 3.6/7081=25, 4.0/9523=16...(15) H GLN 72 + H ALA 67 OK 29 98 - 30 - 7115/4.6=6, 7169/3.0=6...(9) Peak 7098 from nnoeabs.peaks (8.19, 8.19, 116.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 68 + H LYS 68 OK 100 100 - 100 Peak 7099 from nnoeabs.peaks (3.75, 8.19, 116.17 ppm; 3.73 A): 1 out of 1 assignment used, quality = 0.64: * HA LEU 64 + H LYS 68 OK 64 100 - 64 - 2981/3.6=25, 10249=17...(12) Peak 7100 from nnoeabs.peaks (4.31, 8.19, 116.17 ppm; 3.86 A): 3 out of 3 assignments used, quality = 0.89: * HA ASP 65 + H LYS 68 OK 83 100 - 83 - 2855=35, 2856/4.0=18...(15) HA GLU 28 + H LYS 68 OK 22 100 - 22 - 3.0/7101=4, 2997/4.0=3...(8) HA LEU 103 + H LYS 68 OK 21 87 - 24 - 7118/4.6=5, 2997/4.0=3...(9) Peak 7101 from nnoeabs.peaks (7.80, 8.19, 116.17 ppm; 4.43 A): 3 out of 6 assignments used, quality = 0.91: * H LYS 66 + H LYS 68 OK 85 100 - 85 - 7078=32, 3.6/2855=23...(18) H GLU 28 + H LYS 68 OK 27 99 - 27 - 3.0/7100=6, 7084/4.6=4...(9) H LYS 20 + H LYS 68 OK 22 92 - 24 - 3.6/7106=7, 6299/2.9=6...(4) H SER 9 - H LYS 68 poor 9 94 - 10 - 7084/4.6=4 H GLU 99 - H LYS 68 lone 9 96 - 10 - 7601/2.9=2, 7084/4.6=2 HE ARG 30 - H LYS 68 lone 3 84 - 4 - 7084/4.6=1 Peak 7102 from nnoeabs.peaks (4.08, 8.19, 116.17 ppm; 4.88 A): 3 out of 3 assignments used, quality = 0.89: * HA LYS 66 + H LYS 68 OK 79 100 - 80 - 3.6/7096=30, 3.0/7078=24...(19) HA ARG 46 + H LYS 68 OK 31 99 - 31 - 10774=7, 7119/4.6=7...(9) HA PRO 86 + H LYS 68 OK 19 87 - 22 - 7119/4.6=7, 7085/4.6=4...(6) Peak 7103 from nnoeabs.peaks (8.48, 8.19, 116.17 ppm; 3.12 A): 3 out of 6 assignments used, quality = 0.77: * H ALA 67 + H LYS 68 OK 71 100 - 71 - 4.6=32, 2.9/2985=18...(15) H VAL 32 + H LYS 68 OK 13 100 - 13 - 4.0/9530=3, 2982/3.6=3 H VAL 54 + H LYS 68 OK 12 92 - 13 - 6887/4.0=2, 4.4/7107=1...(6) H LYS 53 - H LYS 68 lone 8 84 - 9 - 3.9/7107=2, 6875/4.0=1...(4) H ARG 79 - H LYS 68 lone 5 61 - 8 - 4.3/9531=2, 4.3/9531=2 H THR 31 - H LYS 68 lone 2 73 - 3 - Peak 7104 from nnoeabs.peaks (3.85, 8.19, 116.17 ppm; 3.33 A): 2 out of 8 assignments used, quality = 0.93: * HA ALA 67 + H LYS 68 OK 90 100 - 90 - 3.6=81, 2.1/2985=25...(8) HA ALA 71 + H LYS 68 OK 26 96 - 27 - 3.6/7115=5, 4.9/10789=4...(9) HA LYS 40 - H LYS 68 OK 25 90 - 28 - 1779=9, 3.6/6660=3...(10) HA LYS 12 - H LYS 68 OK 14 100 - 14 - 3.0/7108=3, 3.0/7108=3...(6) HA LYS 94 - H LYS 68 OK 14 87 - 16 - 2983/3.6=3, 3.7/7105=1...(6) HB3 SER 49 - H LYS 68 lone 3 100 - 3 - HA2 GLY 100 - H LYS 68 lone 3 87 - 4 - HA2 GLY 101 - H LYS 68 lone 2 87 - 2 - Peak 7105 from nnoeabs.peaks (1.34, 8.19, 116.17 ppm; 3.01 A): 3 out of 10 assignments used, quality = 0.94: * QB ALA 67 + H LYS 68 OK 77 100 - 77 - 3.6=59, 2.9/7096=15...(10) HG3 LYS 68 + H LYS 68 OK 63 87 - 72 - 4.6=29, 2.9/7107=17...(21) HG2 LYS 39 + H LYS 68 OK 31 96 - 32 - 3.0/7108=3, 3033/2.9=3...(14) HG2 LYS 94 - H LYS 68 OK 15 100 - 15 - 4209/3.6=2, 4214/4.6=1...(4) HB3 LEU 27 - H LYS 68 OK 11 97 - 12 - 4.4/7101=2, 3.1/9531=2 HB2 LYS 82 - H LYS 68 lone 8 98 - 8 - 2809/7099=1 QB ALA 25 - H LYS 68 lone 7 100 - 7 - 10334/3.6=2 HG LEU 14 - H LYS 68 lone 7 84 - 9 - 9732/9529=1 QB ALA 89 - H LYS 68 lone 5 100 - 5 - HB3 LEU 2 - H LYS 68 lone 5 99 - 5 - Peak 7106 from nnoeabs.peaks (3.81, 8.19, 116.17 ppm; 3.12 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 68 + H LYS 68 OK 100 100 - 100 - 2.9=100 HA ARG 19 - H LYS 68 OK 27 99 - 27 - 2986=7, 2999/4.0=3...(11) HA SER 97 - H LYS 68 lone 8 90 - 8 - 10069/3.6=1 HB3 SER 102 - H LYS 68 lone 6 99 - 6 - 7123/4.6=1 Peak 7107 from nnoeabs.peaks (1.84, 8.19, 116.17 ppm; 2.88 A): 3 out of 5 assignments used, quality = 0.80: * HB2 LYS 68 + H LYS 68 OK 73 100 - 73 - 4.0=36, 1.8/7108=14...(21) HB3 LYS 90 + H LYS 68 OK 18 99 - 18 - 2998=4, 2988/2.9=3...(6) HB2 LYS 53 + H LYS 68 OK 11 100 - 10 - 2988/2.9=2, 4.4/7103=1...(4) HB3 LEU 57 - H LYS 68 lone 6 81 - 7 - 3.1/9530=2 HG2 ARG 46 - H LYS 68 lone 5 84 - 6 - 4.1/7102=2 Peak 7108 from nnoeabs.peaks (1.87, 8.19, 116.17 ppm; 2.88 A): 5 out of 9 assignments used, quality = 0.91: * HB3 LYS 68 + H LYS 68 OK 75 100 - 75 - 4.0=36, 1.8/7107=22...(21) HB3 LYS 66 + H LYS 68 OK 28 92 - 31 - 4.7/7096=8, 4.0/7078=6...(8) HB3 LYS 39 + H LYS 68 OK 25 94 - 27 - 3.0/7110=3, 3011/2.9=3...(13) HB3 LYS 12 + H LYS 68 OK 18 99 - 18 - 3010=2, 3011/2.9=2...(8) HB2 LYS 12 + H LYS 68 OK 17 97 - 17 - 1.8/3010=2, 3010=2...(8) HB VAL 5 - H LYS 68 lone 9 92 - 10 - 2.1/9531=2, ~8182=1, 10368/2.9=1 HB VAL 54 - H LYS 68 lone 4 81 - 5 - 3.9/7103=2 HB3 GLU 104 - H LYS 68 lone 4 100 - 4 - HB2 LYS 20 - H LYS 68 lone 4 65 - 5 - 4.0/7101=1 Peak 7109 from nnoeabs.peaks (1.64, 8.19, 116.17 ppm; 3.15 A): 3 out of 11 assignments used, quality = 0.96: * HG2 LYS 68 + H LYS 68 OK 76 100 - 76 - 4.6=33, 2.9/7107=18...(24) HD3 LYS 68 + H LYS 68 OK 62 94 - 66 - 5.9=15, 3.5/7107=15...(20) HD2 LYS 68 + H LYS 68 OK 60 92 - 66 - 5.9=15, 3.5/7107=15...(20) HD3 LYS 39 - H LYS 68 OK 34 100 - 34 - 1738/4.0=4, 3.0/7110=4...(18) HD2 LYS 39 - H LYS 68 OK 22 87 - 26 - 3.0/7110=4, 3.6/7108=3...(15) HB2 LYS 40 - H LYS 68 OK 16 99 - 16 - 3.0/1779=5, 4.3/6660=2...(4) HD2 LYS 94 - H LYS 68 poor 8 65 - 13 - 3.0/7105=2, 10836/3.6=1 HB ILE 76 - H LYS 68 lone 5 100 - 5 - HB3 LEU 6 - H LYS 68 lone 4 98 - 4 - HB3 ARG 79 - H LYS 68 lone 3 87 - 3 - HG3 LYS 47 - H LYS 68 lone 1 57 - 2 - Peak 7110 from nnoeabs.peaks (1.35, 8.19, 116.17 ppm; 2.98 A): 3 out of 12 assignments used, quality = 0.94: * HG3 LYS 68 + H LYS 68 OK 72 100 - 72 - 4.6=28, 2.9/7107=16...(21) QB ALA 67 + H LYS 68 OK 66 87 - 76 - 3.6=58, 2.9/7096=15...(9) HG2 LYS 39 + H LYS 68 OK 33 99 - 34 - 3033/2.9=4, 3.0/7108=3...(14) HG3 LYS 40 - H LYS 68 OK 13 92 - 14 - 3.8/1779=3, 3026/4.6=1...(4) HG2 LYS 94 - H LYS 68 OK 13 92 - 14 - 4209/3.6=2, 3.7/7104=1 HB3 LEU 27 - H LYS 68 OK 12 99 - 12 - 4.4/7101=2, 3.1/9531=2 HG LEU 14 - H LYS 68 lone 10 100 - 10 - 10399/9529=1 HB2 LYS 82 - H LYS 68 lone 7 98 - 8 - QB ALA 25 - H LYS 68 lone 6 92 - 6 - 10334/3.6=2 HG12 ILE 8 - H LYS 68 lone 4 81 - 5 - 2979/3.6=1, 8294/4.6=1 QB ALA 89 - H LYS 68 lone 4 92 - 4 - HB3 LEU 2 - H LYS 68 lone 3 73 - 4 - Peak 7111 from nnoeabs.peaks (1.65, 8.19, 116.17 ppm; 3.15 A): 3 out of 12 assignments used, quality = 0.96: HG2 LYS 68 + H LYS 68 OK 69 92 - 75 - 4.6=33, 2.9/7107=18...(23) * HD2 LYS 68 + H LYS 68 OK 66 100 - 66 - 5.9=15, 3.5/7107=15...(19) HD3 LYS 68 + H LYS 68 OK 66 100 - 66 - 5.9=15, 3.5/7107=15...(19) HD3 LYS 39 - H LYS 68 OK 28 90 - 32 - 3.0/7110=4, 1738/4.0=3...(17) HD2 LYS 39 - H LYS 68 OK 27 100 - 28 - 3.0/7110=4, 3.6/7108=3...(16) HB2 LYS 40 - H LYS 68 OK 15 98 - 15 - 3.0/1779=5, 4.3/6660=2...(4) HB ILE 76 - H LYS 68 lone 4 96 - 4 - HB3 LEU 6 - H LYS 68 lone 4 99 - 4 - HB3 ARG 79 - H LYS 68 lone 3 100 - 3 - HB ILE 52 - H LYS 68 lone 2 65 - 3 - 4.5/7103=1 HD3 LYS 73 - H LYS 68 lone 1 84 - 1 - HD2 LYS 73 - H LYS 68 lone 1 77 - 1 - Peak 7112 from nnoeabs.peaks (1.65, 8.19, 116.17 ppm; 3.15 A): 3 out of 12 assignments used, quality = 0.97: HG2 LYS 68 + H LYS 68 OK 70 94 - 75 - 4.6=33, 2.9/7107=18...(23) HD2 LYS 68 + H LYS 68 OK 66 100 - 66 - 5.9=15, 3.5/7107=15...(19) * HD3 LYS 68 + H LYS 68 OK 66 100 - 66 - 5.9=15, 3.5/7107=15...(19) HD3 LYS 39 - H LYS 68 OK 29 92 - 32 - 3.0/7110=4, 1738/4.0=3...(18) HD2 LYS 39 - H LYS 68 OK 27 100 - 28 - 3.0/7110=4, 3.6/7108=3...(16) HB2 LYS 40 - H LYS 68 OK 15 99 - 16 - 3.0/1779=5, 4.3/6660=2...(4) HB ILE 76 - H LYS 68 lone 4 97 - 4 - HB3 LEU 6 - H LYS 68 lone 4 100 - 4 - HB3 ARG 79 - H LYS 68 lone 3 100 - 3 - HB ILE 52 - H LYS 68 lone 2 61 - 3 - 4.5/7103=1 HD3 LYS 73 - H LYS 68 lone 1 81 - 1 - HD2 LYS 73 - H LYS 68 lone 1 73 - 1 - Peak 7113 from nnoeabs.peaks (2.91, 8.19, 116.17 ppm; 5.22 A): 3 out of 10 assignments used, quality = 0.99: HE3 LYS 68 + H LYS 68 OK 89 100 - 89 - 7.2=38, 5.0/7107=24...(21) * HE2 LYS 68 + H LYS 68 OK 89 100 - 89 - 7.2=38, 5.0/7107=24...(21) HE3 LYS 66 + H LYS 68 OK 46 94 - 49 - 6.1/7102=13, 7.2/7078=11...(15) HE2 LYS 66 - H LYS 68 OK 36 77 - 47 - 6.1/7102=13, 7.2/7078=11...(15) HE3 LYS 94 - H LYS 68 OK 35 100 - 35 - 3029/4.6=4, 3006/4.0=3...(17) HE2 LYS 94 - H LYS 68 OK 31 92 - 33 - 3029/4.6=4, 3006/4.0=3...(17) HE2 LYS 20 - H LYS 68 OK 25 100 - 25 - 3006/4.0=3, 3029/4.6=3...(11) HE3 LYS 20 - H LYS 68 OK 25 100 - 25 - 3006/4.0=3, 3029/4.6=3...(11) HB2 ASN 60 - H LYS 68 lone 3 65 - 5 - HB2 ASN 10 - H LYS 68 lone 2 65 - 2 - Peak 7114 from nnoeabs.peaks (2.91, 8.19, 116.17 ppm; 5.22 A): 3 out of 9 assignments used, quality = 0.99: * HE3 LYS 68 + H LYS 68 OK 89 100 - 89 - 7.2=38, 5.0/7107=24...(22) HE2 LYS 68 + H LYS 68 OK 89 100 - 89 - 7.2=38, 5.0/7107=24...(21) HE3 LYS 66 + H LYS 68 OK 48 97 - 50 - 6.1/7102=13, 7.2/7078=11...(15) HE2 LYS 66 - H LYS 68 OK 40 84 - 48 - 6.1/7102=13, 7.2/7078=11...(16) HE3 LYS 94 - H LYS 68 OK 35 100 - 35 - 3029/4.6=4, 3006/4.0=3...(17) HE2 LYS 94 - H LYS 68 OK 29 87 - 33 - 3029/4.6=4, 3006/4.0=3...(17) HE2 LYS 20 - H LYS 68 OK 25 99 - 25 - 3006/4.0=3, 3029/4.6=3...(11) HE3 LYS 20 - H LYS 68 OK 25 99 - 25 - 3006/4.0=3, 3029/4.6=3...(11) HB2 ASN 60 - H LYS 68 lone 4 73 - 5 - Peak 7115 from nnoeabs.peaks (7.90, 8.19, 116.17 ppm; 3.03 A): 3 out of 3 assignments used, quality = 0.86: * H GLU 69 + H LYS 68 OK 69 100 - 69 - 7122=34, 7124/4.0=11...(17) H ASP 65 + H LYS 68 OK 35 65 - 53 - 3.6/7099=16, 3.0/2855=13...(16) H GLN 72 + H LYS 68 OK 31 98 - 32 - 9557/4.0=6, 2996/2.9=4...(11) Peak 7116 from nnoeabs.peaks (7.96, 8.19, 116.17 ppm; 4.42 A): 2 out of 2 assignments used, quality = 0.89: * H LEU 70 + H LYS 68 OK 77 100 - 77 - 7142/2.9=24, 7137/4.6=23...(12) H LEU 42 + H LYS 68 OK 52 100 - 52 - 6678=11, 7137/4.6=7...(13) Peak 7117 from nnoeabs.peaks (7.90, 7.90, 119.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 69 + H GLU 69 OK 100 100 - 100 Peak 7118 from nnoeabs.peaks (4.31, 7.90, 119.49 ppm; 4.36 A): 3 out of 3 assignments used, quality = 0.77: * HA ASP 65 + H GLU 69 OK 60 100 - 61 - 2856/4.6=19, 2855/4.6=18...(10) HA LEU 103 + H GLU 69 OK 30 87 - 35 - 3.0/10805=22, 7100/4.6=4...(5) HA GLU 28 + H GLU 69 OK 15 100 - 15 - 7100/4.6=4, 2997/4.6=3...(4) Peak 7119 from nnoeabs.peaks (4.08, 7.90, 119.49 ppm; 3.70 A): 3 out of 3 assignments used, quality = 0.80: * HA LYS 66 + H GLU 69 OK 64 100 - 65 - 2881=23, 3.6/7120=12...(18) HA PRO 86 + H GLU 69 OK 26 87 - 30 - 7139/4.6=4, 3094/4.0=4...(12) HA ARG 46 + H GLU 69 OK 25 99 - 25 - 2881=8, 7102/4.6=3...(7) Peak 7120 from nnoeabs.peaks (8.48, 7.90, 119.49 ppm; 4.41 A): 4 out of 6 assignments used, quality = 0.85: * H ALA 67 + H GLU 69 OK 76 100 - 76 - 7097=24, 4.6/7122=21...(17) H VAL 54 + H GLU 69 OK 16 92 - 18 - 6887/4.6=4, 7103/4.6=3...(5) H LYS 53 + H GLU 69 OK 14 84 - 16 - 3.9/7124=3, 12278/3.6=3...(5) H VAL 32 + H GLU 69 OK 11 100 - 11 - 7103/4.6=3, 12278/3.6=2 H ARG 79 - H GLU 69 lone 3 61 - 5 - 7103/4.6=1 H THR 31 - H GLU 69 lone 3 73 - 4 - Peak 7121 from nnoeabs.peaks (3.85, 7.90, 119.49 ppm; 3.95 A): 5 out of 8 assignments used, quality = 0.84: * HA ALA 67 + H GLU 69 OK 51 100 - 51 - 3.6/7122=22, 3.0/7120=16...(7) HA ALA 71 + H GLU 69 OK 45 96 - 47 - 3.0/7166=11, 2.1/3181=10...(9) HA LYS 40 + H GLU 69 OK 16 90 - 18 - 1779/4.6=4, 7140/4.6=3...(6) HA LYS 94 + H GLU 69 OK 15 87 - 18 - 7140/4.6=3, 4183/3.0=3...(5) HA LYS 12 + H GLU 69 OK 14 100 - 14 - 3.0/7125=3, 3.0/7125=3...(5) HB3 SER 49 - H GLU 69 lone 4 100 - 4 - HA2 GLY 100 - H GLU 69 lone 3 87 - 4 - HA2 GLY 101 - H GLU 69 lone 2 87 - 3 - Peak 7122 from nnoeabs.peaks (8.19, 7.90, 119.49 ppm; 3.06 A): 3 out of 3 assignments used, quality = 0.76: * H LYS 68 + H GLU 69 OK 67 100 - 67 - 4.6=29, 4.0/7124=11...(17) H GLU 43 + H GLU 69 OK 16 97 - 17 - 6685/4.6=4, 4.6/7137=3...(4) H ASP 36 + H GLU 69 OK 13 100 - 13 - 2986/3.6=3, 8778/4.6=3...(4) Peak 7123 from nnoeabs.peaks (3.81, 7.90, 119.49 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 68 + H GLU 69 OK 100 100 - 100 - 3.6=100 HA ARG 19 - H GLU 69 OK 20 99 - 20 - 2996=5, 7106/4.6=4...(5) HB3 SER 102 - H GLU 69 OK 16 99 - 16 - 4.5/10805=11 HA SER 97 - H GLU 69 poor 10 90 - 11 - 7142/4.6=2, 3.0/7132=1...(4) Peak 7124 from nnoeabs.peaks (1.84, 7.90, 119.49 ppm; 3.16 A): 2 out of 5 assignments used, quality = 0.74: * HB2 LYS 68 + H GLU 69 OK 71 100 - 71 - 4.6=31, 1.8/7125=15...(15) HB3 LYS 90 + H GLU 69 OK 13 99 - 13 - 2999/3.6=3, 3008=3...(4) HB2 LYS 53 - H GLU 69 lone 9 100 - 9 - 2988/3.6=2, 4.4/7120=2...(4) HB3 LEU 57 - H GLU 69 lone 7 81 - 8 - 3.1/9535=2, 3.0/9537=1 HG2 ARG 46 - H GLU 69 lone 6 84 - 7 - 4.1/7119=3 Peak 7125 from nnoeabs.peaks (1.87, 7.90, 119.49 ppm; 3.17 A): 5 out of 9 assignments used, quality = 0.89: * HB3 LYS 68 + H GLU 69 OK 73 100 - 73 - 4.6=32, 1.8/7124=23...(15) HB3 LYS 66 + H GLU 69 OK 32 92 - 35 - 3.0/7119=11, 4.7/7120=6...(10) HB3 LYS 39 + H GLU 69 OK 19 94 - 20 - 3.0/7127=3, 3011/3.6=3...(8) HB3 LYS 12 + H GLU 69 OK 15 99 - 15 - 3020=2, 3011/3.6=2...(7) HB2 LYS 12 + H GLU 69 OK 14 97 - 14 - 3.0/7121=2, 1.8/3020=2...(7) HB VAL 5 - H GLU 69 lone 5 92 - 5 - 10368/3.6=2 HB VAL 54 - H GLU 69 lone 3 81 - 4 - 3.9/7120=2 HB3 GLU 104 - H GLU 69 lone 3 100 - 3 - HB2 LYS 20 - H GLU 69 lone 2 65 - 3 - Peak 7126 from nnoeabs.peaks (1.64, 7.90, 119.49 ppm; 3.80 A): 3 out of 11 assignments used, quality = 0.96: * HG2 LYS 68 + H GLU 69 OK 74 100 - 74 - 2.9/7124=24, 2.9/7125=16...(17) HD3 LYS 68 + H GLU 69 OK 62 94 - 66 - 3.5/7124=20, 3.5/7125=13...(14) HD2 LYS 68 + H GLU 69 OK 58 92 - 63 - 3.5/7124=20, 3.5/7125=13...(13) HD3 LYS 39 - H GLU 69 OK 27 100 - 27 - 1738/4.6=5, 3.0/7127=4...(11) HD2 LYS 39 - H GLU 69 OK 18 87 - 21 - 3.0/7127=4, 3055/3.6=3...(9) HB2 LYS 40 - H GLU 69 OK 12 99 - 12 - 3.0/7121=3, ~10794=2...(4) HB ILE 76 - H GLU 69 lone 9 100 - 9 - 3.2/9535=4, 10834/3181=1 HD2 LYS 94 - H GLU 69 poor 8 65 - 11 - 4.7/7121=2, 3.0/7127=2 HB3 LEU 6 - H GLU 69 lone 5 98 - 5 - 3.1/9536=2 HG3 LYS 47 - H GLU 69 lone 2 57 - 4 - HB3 ARG 79 - H GLU 69 lone 2 87 - 2 - Peak 7127 from nnoeabs.peaks (1.35, 7.90, 119.49 ppm; 3.83 A): 3 out of 12 assignments used, quality = 0.92: * HG3 LYS 68 + H GLU 69 OK 78 100 - 78 - 2.9/7124=24, 2.9/7125=16...(18) QB ALA 67 + H GLU 69 OK 45 87 - 52 - 3.6/7122=21, 2.9/7120=15...(10) HG2 LYS 39 + H GLU 69 OK 35 99 - 35 - 3033/3.6=5, 3.0/7125=4...(13) HG LEU 14 - H GLU 69 OK 18 100 - 18 - 2.1/9536=2, 2.1/9536=2...(5) HG3 LYS 40 - H GLU 69 OK 15 92 - 16 - 3.8/7121=3, 10795/3.0=2...(7) HG2 LYS 94 - H GLU 69 OK 13 92 - 14 - 3.7/7121=2, 2991/3.6=1...(4) HB3 LEU 27 - H GLU 69 lone 8 99 - 8 - 2991/3.6=1, 7110/4.6=1 HG12 ILE 8 - H GLU 69 lone 8 81 - 9 - 3.1/9535=2, 2.1/9536=2 HB2 LYS 82 - H GLU 69 lone 7 98 - 7 - QB ALA 25 - H GLU 69 lone 7 92 - 7 - QB ALA 89 - H GLU 69 lone 6 92 - 6 - 9931/9534=1 HB3 LEU 2 - H GLU 69 lone 5 73 - 6 - 3.1/9535=1 Peak 7128 from nnoeabs.peaks (1.65, 7.90, 119.49 ppm; 3.80 A): 3 out of 12 assignments used, quality = 0.96: HG2 LYS 68 + H GLU 69 OK 67 92 - 73 - 2.9/7124=24, 2.9/7125=16...(17) HD3 LYS 68 + H GLU 69 OK 66 100 - 66 - 3.5/7124=20, 3.5/7125=13...(14) * HD2 LYS 68 + H GLU 69 OK 66 100 - 66 - 3.5/7124=20, 3.5/7125=13...(14) HD2 LYS 39 - H GLU 69 OK 24 100 - 24 - 3.0/7127=4, 3044/3.6=4...(10) HD3 LYS 39 - H GLU 69 OK 22 90 - 25 - 3.0/7127=4, 1738/4.6=4...(10) HB2 LYS 40 - H GLU 69 OK 12 98 - 12 - 3.0/7121=3, ~10794=2...(4) HB ILE 76 - H GLU 69 lone 8 96 - 9 - 3.2/9535=4, 10834/3181=1 HB ILE 52 - H GLU 69 lone 6 65 - 8 - 3.2/9536=2, 2.1/9535=2 HD3 LYS 73 - H GLU 69 lone 5 84 - 6 - 6.4/7196=2, 3.0/9537=1 HB3 LEU 6 - H GLU 69 lone 5 99 - 5 - 3.1/9536=2 HD2 LYS 73 - H GLU 69 lone 4 77 - 6 - 6.4/7196=2, 3.0/9537=1 HB3 ARG 79 - H GLU 69 lone 3 100 - 3 - Peak 7129 from nnoeabs.peaks (1.65, 7.90, 119.49 ppm; 3.80 A): 3 out of 12 assignments used, quality = 0.96: HG2 LYS 68 + H GLU 69 OK 69 94 - 73 - 2.9/7124=24, 2.9/7125=16...(17) * HD3 LYS 68 + H GLU 69 OK 66 100 - 66 - 3.5/7124=20, 3.5/7125=13...(14) HD2 LYS 68 + H GLU 69 OK 66 100 - 66 - 3.5/7124=20, 3.5/7125=13...(14) HD2 LYS 39 - H GLU 69 OK 24 100 - 24 - 3.0/7127=4, 3044/3.6=4...(10) HD3 LYS 39 - H GLU 69 OK 23 92 - 26 - 3.0/7127=4, 1738/4.6=4...(10) HB2 LYS 40 - H GLU 69 OK 12 99 - 12 - 3.0/7121=3, ~10794=2...(4) HB ILE 76 - H GLU 69 lone 8 97 - 9 - 3.2/9535=4, 10834/3181=1 HB ILE 52 - H GLU 69 lone 5 61 - 8 - 3.2/9536=2, 2.1/9535=2 HB3 LEU 6 - H GLU 69 lone 5 100 - 5 - 3.1/9536=2 HD3 LYS 73 - H GLU 69 lone 5 81 - 6 - 6.4/7196=2, 3.0/9537=1 HD2 LYS 73 - H GLU 69 lone 4 73 - 6 - 6.4/7196=2, 3.0/9537=1 HB3 ARG 79 - H GLU 69 lone 3 100 - 3 - Peak 7130 from nnoeabs.peaks (2.91, 7.90, 119.49 ppm; 5.80 A): 3 out of 10 assignments used, quality = 0.99: * HE2 LYS 68 + H GLU 69 OK 83 100 - 83 - 5.0/7124=27, 5.0/7125=18...(17) HE3 LYS 68 + H GLU 69 OK 83 100 - 83 - 5.0/7124=27, 5.0/7125=18...(17) HE3 LYS 66 + H GLU 69 OK 53 94 - 56 - 6.1/7119=17, 3.6/9537=10...(15) HE2 LYS 66 - H GLU 69 OK 42 77 - 55 - 6.1/7119=17, 3.6/9537=10...(14) HE3 LYS 94 - H GLU 69 OK 27 100 - 27 - 3006/4.6=3, 6.0/7121=3...(9) HE2 LYS 94 - H GLU 69 OK 24 92 - 26 - 3006/4.6=3, 6.0/7121=3...(11) HE2 LYS 20 - H GLU 69 OK 20 100 - 19 - 3006/4.6=3, 7113/4.6=2...(9) HE3 LYS 20 - H GLU 69 OK 19 100 - 19 - 3006/4.6=3, 7113/4.6=2...(9) HB2 ASN 10 - H GLU 69 lone 3 65 - 5 - HB2 ASN 60 - H GLU 69 lone 2 65 - 4 - Peak 7131 from nnoeabs.peaks (2.91, 7.90, 119.49 ppm; 5.80 A): 4 out of 9 assignments used, quality = 0.99: HE2 LYS 68 + H GLU 69 OK 83 100 - 83 - 5.0/7124=27, 5.0/7125=18...(17) * HE3 LYS 68 + H GLU 69 OK 83 100 - 83 - 5.0/7124=27, 5.0/7125=18...(17) HE3 LYS 66 + H GLU 69 OK 55 97 - 57 - 6.1/7119=17, 3.6/9537=10...(15) HE2 LYS 66 + H GLU 69 OK 46 84 - 55 - 6.1/7119=17, 3.6/9537=10...(14) HE3 LYS 94 - H GLU 69 OK 26 100 - 27 - 3006/4.6=3, 6.0/7121=3...(9) HE2 LYS 94 - H GLU 69 OK 22 87 - 26 - 3006/4.6=3, 6.0/7121=3...(11) HE2 LYS 20 - H GLU 69 OK 19 99 - 19 - 3006/4.6=3, 7113/4.6=2...(9) HE3 LYS 20 - H GLU 69 OK 19 99 - 19 - 3006/4.6=3, 7113/4.6=2...(9) HB2 ASN 60 - H GLU 69 lone 3 73 - 4 - Peak 7132 from nnoeabs.peaks (4.00, 7.90, 119.49 ppm; 3.09 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 69 + H GLU 69 OK 100 100 - 100 - 3.0=100 HA GLU 75 - H GLU 69 OK 17 98 - 18 - 3376/4.0=2, 3376/4.0=2...(7) HD2 PRO 86 - H GLU 69 OK 10 65 - 16 - 3.6/7119=4, 3.0/7135=2 HD3 PRO 86 - H GLU 69 poor 9 61 - 15 - 3.6/7119=4, 3.0/7135=2 HB3 SER 97 - H GLU 69 lone 5 90 - 6 - 3.0/7123=1, 4357/3.6=1 Peak 7133 from nnoeabs.peaks (2.13, 7.90, 119.49 ppm; 2.57 A): 4 out of 11 assignments used, quality = 0.93: * HB2 GLU 69 + H GLU 69 OK 60 100 - 60 - 4.0=26, 3.0/3110=10...(13) HB3 GLU 69 + H GLU 69 OK 60 100 - 60 - 4.0=26, 3.0/3110=10...(13) HG2 GLU 69 + H GLU 69 OK 50 100 - 50 - 3110=15, 1.8/7136=11...(11) HB2 PRO 86 + H GLU 69 OK 12 97 - 12 - 2.3/7119=3, 3.0/7132=1...(4) HG2 GLU 44 - H GLU 69 lone 8 96 - 9 - 1.8/7136=2, 3110=2, 3111/3.0=1 HB2 GLU 75 - H GLU 69 lone 7 94 - 7 - 3382/3.0=2, 2.9/7132=2, ~3389=1 HB2 LEU 64 - H GLU 69 lone 5 81 - 6 - 1.8/9537=1 HB VAL 83 - H GLU 69 lone 2 81 - 3 - 2.1/9534=1 HB3 GLU 37 - H GLU 69 lone 1 100 - 1 - HG2 GLU 88 - H GLU 69 lone 0 77 - 1 - HG3 GLU 37 - H GLU 69 lone 0 70 - 1 - Peak 7134 from nnoeabs.peaks (2.13, 7.90, 119.49 ppm; 2.57 A): 4 out of 11 assignments used, quality = 0.93: HB2 GLU 69 + H GLU 69 OK 60 100 - 60 - 4.0=26, 3.0/3110=10...(13) * HB3 GLU 69 + H GLU 69 OK 60 100 - 60 - 4.0=26, 3.0/3110=10...(13) HG2 GLU 69 + H GLU 69 OK 50 100 - 50 - 3110=15, 1.8/7136=11...(11) HB2 PRO 86 + H GLU 69 OK 12 97 - 12 - 2.3/7119=3, 3.0/7132=1...(4) HG2 GLU 44 - H GLU 69 lone 8 96 - 9 - 1.8/7136=2, 3110=2, 3111/3.0=1 HB2 GLU 75 - H GLU 69 lone 7 94 - 7 - 3382/3.0=2, 2.9/7132=2, ~3389=1 HB2 LEU 64 - H GLU 69 lone 5 81 - 6 - 1.8/9537=1 HB VAL 83 - H GLU 69 lone 2 81 - 3 - 2.1/9534=1 HB3 GLU 37 - H GLU 69 lone 1 100 - 1 - HG2 GLU 88 - H GLU 69 lone 0 77 - 1 - HG3 GLU 37 - H GLU 69 lone 0 70 - 1 - Peak 7135 from nnoeabs.peaks (2.13, 7.90, 119.49 ppm; 2.57 A): 4 out of 11 assignments used, quality = 0.93: HB2 GLU 69 + H GLU 69 OK 60 100 - 60 - 4.0=26, 3.0/3110=10...(13) HB3 GLU 69 + H GLU 69 OK 60 100 - 60 - 4.0=26, 3.0/3110=10...(13) * HG2 GLU 69 + H GLU 69 OK 50 100 - 50 - 3110=15, 1.8/7136=11...(11) HB2 PRO 86 + H GLU 69 OK 12 97 - 12 - 2.3/7119=3, 3.0/7132=1...(4) HG2 GLU 44 - H GLU 69 lone 8 96 - 9 - 1.8/7136=2, 3110=2, 3111/3.0=1 HB2 GLU 75 - H GLU 69 lone 7 94 - 7 - 3382/3.0=2, 2.9/7132=2, ~3389=1 HB2 LEU 64 - H GLU 69 lone 5 81 - 6 - 1.8/9537=1 HB VAL 83 - H GLU 69 lone 2 81 - 3 - 2.1/9534=1 HB3 GLU 37 - H GLU 69 lone 1 100 - 1 - HG2 GLU 88 - H GLU 69 lone 0 77 - 1 - HG3 GLU 37 - H GLU 69 lone 0 70 - 1 - Peak 7136 from nnoeabs.peaks (2.34, 7.90, 119.49 ppm; 3.70 A): 3 out of 5 assignments used, quality = 0.87: * HG3 GLU 69 + H GLU 69 OK 82 100 - 82 - 5.1=39, 1.8/3110=28...(10) HG3 GLU 44 + H GLU 69 OK 17 84 - 20 - 3092/3.0=4, 1.8/3110=3...(7) HG2 GLU 16 + H GLU 69 OK 13 100 - 12 - 3117=4, 3092/3.0=3...(5) HG2 GLU 48 - H GLU 69 lone 7 97 - 7 - 3117=2, 3092/3.0=2 HG3 GLU 43 - H GLU 69 lone 5 65 - 8 - 5.0/7122=3, 1984/4.6=1 Peak 7137 from nnoeabs.peaks (7.96, 7.90, 119.49 ppm; 2.90 A): 2 out of 2 assignments used, quality = 0.70: * H LEU 70 + H GLU 69 OK 63 100 - 63 - 7143=32, 7144/3.0=13...(11) H LEU 42 + H GLU 69 OK 20 100 - 20 - 7116/4.6=3, 3093/3.0=3...(9) Peak 7138 from nnoeabs.peaks (7.96, 7.96, 119.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + H LEU 70 OK 100 100 - 100 Peak 7139 from nnoeabs.peaks (4.08, 7.96, 119.43 ppm; 4.69 A): 3 out of 3 assignments used, quality = 0.71: * HA LYS 66 + H LEU 70 OK 48 100 - 48 - 7119/4.6=16, 3102/4.6=8...(11) HA PRO 86 + H LEU 70 OK 30 87 - 34 - 7119/4.6=7, 3094/4.6=5...(11) HA ARG 46 + H LEU 70 OK 21 99 - 20 - 7119/4.6=6, 3094/4.6=3...(4) Peak 7140 from nnoeabs.peaks (3.85, 7.96, 119.43 ppm; 4.08 A): 4 out of 8 assignments used, quality = 0.95: * HA ALA 67 + H LEU 70 OK 61 100 - 61 - 2978=18, 3.6/7116=14...(12) HA ALA 71 + H LEU 70 OK 58 96 - 61 - 3.0/7155=17, 2978=10...(13) HA LYS 40 + H LEU 70 OK 44 90 - 49 - 2.9/6638=9, 3.6/6659=9...(17) HA LYS 94 + H LEU 70 OK 42 87 - 48 - 3.0/7155=8, 3132/3.9=6...(14) HA LYS 12 - H LEU 70 OK 18 100 - 18 - 392/3.9=4, 7121/4.6=2...(6) HB3 SER 49 - H LEU 70 OK 10 100 - 10 - HA2 GLY 100 - H LEU 70 lone 8 87 - 9 - HA2 GLY 101 - H LEU 70 lone 6 87 - 6 - Peak 7141 from nnoeabs.peaks (8.19, 7.96, 119.43 ppm; 4.70 A): 2 out of 3 assignments used, quality = 0.94: * H LYS 68 + H LEU 70 OK 83 100 - 83 - 7116=30, 2.9/7142=27...(17) H GLU 43 + H LEU 70 OK 64 97 - 66 - 6685=16, 3.6/1898=12...(22) H ASP 36 - H LEU 70 OK 23 100 - 23 - 7122/4.6=4, 10538/4.6=3...(10) Peak 7142 from nnoeabs.peaks (3.81, 7.96, 119.43 ppm; 4.37 A): 1 out of 4 assignments used, quality = 0.64: * HA LYS 68 + H LEU 70 OK 64 100 - 64 - 3.6/7137=30, 2.9/7116=18...(7) HA ARG 19 - H LEU 70 lone 8 99 - 8 - 7123/4.6=3, 7106/7116=2 HA SER 97 - H LEU 70 lone 8 90 - 9 - ~7568=3, 7123/4.6=2...(4) HB3 SER 102 - H LEU 70 lone 4 99 - 4 - 7123/4.6=3 Peak 7143 from nnoeabs.peaks (7.90, 7.96, 119.43 ppm; 3.00 A): 2 out of 3 assignments used, quality = 0.75: * H GLU 69 + H LEU 70 OK 68 100 - 68 - 7137=38, 3.0/7144=14...(11) H GLN 72 + H LEU 70 OK 24 98 - 24 - 7168/4.6=7, 3087/3.6=6...(7) H ASP 65 - H LEU 70 lone 5 65 - 7 - 7115/7116=1 Peak 7144 from nnoeabs.peaks (4.00, 7.96, 119.43 ppm; 3.50 A): 1 out of 5 assignments used, quality = 0.98: * HA GLU 69 + H LEU 70 OK 98 100 - 98 - 3.6=95, 3.0/7137=25...(11) HA GLU 75 - H LEU 70 OK 13 98 - 13 - 7132/4.6=2, 3376/4.6=2 HD2 PRO 86 - H LEU 70 OK 12 65 - 18 - 3.6/7139=5, 2.3/3150=3...(5) HD3 PRO 86 - H LEU 70 OK 11 61 - 17 - 3.6/7139=5, 2.3/3150=3...(5) HB3 SER 97 - H LEU 70 lone 5 90 - 5 - 3.0/7142=2 Peak 7145 from nnoeabs.peaks (2.13, 7.96, 119.43 ppm; 3.28 A): 3 out of 11 assignments used, quality = 0.97: * HB2 GLU 69 + H LEU 70 OK 74 100 - 74 - 4.6=36, 3.0/7144=17...(11) HB3 GLU 69 + H LEU 70 OK 74 100 - 74 - 4.6=36, 3.0/7144=17...(11) HG2 GLU 69 + H LEU 70 OK 59 100 - 59 - 3116=17, 1.8/3123=13...(10) HB2 PRO 86 - H LEU 70 OK 21 97 - 21 - 2.3/7139=5, 2.3/7152=3...(8) HG2 GLU 44 - H LEU 70 OK 20 96 - 21 - 3116=4, 4.8/6702=4...(9) HB3 GLU 37 - H LEU 70 lone 9 100 - 9 - 8840/4.6=2, 8840/4.6=2...(5) HB2 GLU 75 - H LEU 70 lone 9 94 - 9 - 3382/3.6=3, 2.9/7144=2 HB2 LEU 64 - H LEU 70 lone 7 81 - 9 - 9449/10736=2...(3) HB VAL 83 - H LEU 70 lone 5 81 - 6 - ~9828=2 HG3 GLU 37 - H LEU 70 lone 4 70 - 6 - 10275/3.9=1, 10277/3.9=1 HG2 GLU 88 - H LEU 70 lone 1 77 - 1 - Peak 7146 from nnoeabs.peaks (2.13, 7.96, 119.43 ppm; 3.28 A): 3 out of 11 assignments used, quality = 0.97: HB2 GLU 69 + H LEU 70 OK 74 100 - 74 - 4.6=36, 3.0/7144=17...(11) * HB3 GLU 69 + H LEU 70 OK 74 100 - 74 - 4.6=36, 3.0/7144=17...(11) HG2 GLU 69 + H LEU 70 OK 59 100 - 59 - 3116=17, 1.8/3123=13...(10) HB2 PRO 86 - H LEU 70 OK 21 97 - 21 - 2.3/7139=5, 2.3/7152=3...(8) HG2 GLU 44 - H LEU 70 OK 20 96 - 21 - 3116=4, 4.8/6702=4...(9) HB3 GLU 37 - H LEU 70 lone 9 100 - 9 - 8840/4.6=2, 8840/4.6=2...(5) HB2 GLU 75 - H LEU 70 lone 9 94 - 9 - 3382/3.6=3, 2.9/7144=2 HB2 LEU 64 - H LEU 70 lone 7 81 - 9 - 9449/10736=2...(3) HB VAL 83 - H LEU 70 lone 5 81 - 6 - ~9828=2 HG3 GLU 37 - H LEU 70 lone 4 70 - 6 - 10275/3.9=1, 10277/3.9=1 HG2 GLU 88 - H LEU 70 lone 1 77 - 1 - Peak 7147 from nnoeabs.peaks (2.13, 7.96, 119.43 ppm; 3.28 A): 3 out of 11 assignments used, quality = 0.97: HB2 GLU 69 + H LEU 70 OK 74 100 - 74 - 4.6=36, 3.0/7144=17...(11) HB3 GLU 69 + H LEU 70 OK 74 100 - 74 - 4.6=36, 3.0/7144=17...(11) * HG2 GLU 69 + H LEU 70 OK 59 100 - 59 - 3116=17, 1.8/3123=13...(10) HB2 PRO 86 - H LEU 70 OK 21 97 - 21 - 2.3/7139=5, 2.3/7152=3...(8) HG2 GLU 44 - H LEU 70 OK 20 96 - 21 - 3116=4, 4.8/6702=4...(9) HB3 GLU 37 - H LEU 70 lone 9 100 - 9 - 8840/4.6=2, 8840/4.6=2...(5) HB2 GLU 75 - H LEU 70 lone 9 94 - 9 - 3382/3.6=3, 2.9/7144=2 HB2 LEU 64 - H LEU 70 lone 7 81 - 9 - 9449/10736=2...(3) HB VAL 83 - H LEU 70 lone 5 81 - 6 - ~9828=2 HG3 GLU 37 - H LEU 70 lone 4 70 - 6 - 10275/3.9=1, 10277/3.9=1 HG2 GLU 88 - H LEU 70 lone 1 77 - 1 - Peak 7148 from nnoeabs.peaks (2.34, 7.96, 119.43 ppm; 5.15 A): 5 out of 5 assignments used, quality = 0.94: * HG3 GLU 69 + H LEU 70 OK 84 100 - 84 - 3092/3.6=30, 3123=28...(8) HG3 GLU 44 + H LEU 70 OK 44 84 - 52 - 8981/4.6=10, 4.8/6702=10...(12) HG2 GLU 16 + H LEU 70 OK 18 100 - 18 - 3123=5, 3092/3.6=4...(5) HG3 GLU 43 + H LEU 70 OK 15 65 - 22 - 5.0/6685=11, 10606/4.6=2...(6) HG2 GLU 48 + H LEU 70 OK 11 97 - 11 - 3092/3.6=2, 3123=2, 7136/4.6=2 Peak 7149 from nnoeabs.peaks (4.02, 7.96, 119.43 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 70 + H LEU 70 OK 100 100 - 100 - 3.0=100 HA GLU 95 - H LEU 70 OK 27 100 - 28 - 3134/3.9=5, 3143/3.9=5...(9) HA GLU 75 - H LEU 70 poor 7 61 - 12 - 3134/3.9=1, 3143/3.9=1 HB3 SER 59 - H LEU 70 lone 3 70 - 5 - Peak 7150 from nnoeabs.peaks (1.37, 7.96, 119.43 ppm; 3.53 A): 2 out of 6 assignments used, quality = 0.93: * HB2 LEU 70 + H LEU 70 OK 91 100 - 91 - 3.9=72, 1.8/3142=27...(14) HG3 LYS 40 + H LEU 70 OK 24 92 - 26 - 4.9/6638=4, 3.8/7140=3...(12) HG3 LYS 94 - H LEU 70 OK 20 87 - 24 - 3126/3.0=4, 4.9/7155=4...(8) HG12 ILE 8 - H LEU 70 OK 15 98 - 15 - 3126/3.0=3, 2.1/9542=2...(7) HB3 ARG 30 - H LEU 70 OK 14 100 - 14 - 3126/3.0=3, 8719/4.6=2...(6) HG LEU 14 - H LEU 70 OK 11 61 - 17 - 2.1/9542=3, 3126/3.0=2...(7) Peak 7151 from nnoeabs.peaks (1.72, 7.96, 119.43 ppm; 3.10 A): 4 out of 14 assignments used, quality = 0.91: * HB3 LEU 70 + H LEU 70 OK 77 100 - 77 - 3.9=49, 1.8/3133=20...(13) HG LEU 70 + H LEU 70 OK 47 70 - 67 - 4.9=26, 3.0/3142=16...(10) HB ILE 15 + H LEU 70 OK 13 81 - 17 - ~10122=3, 2.1/7154=2...(8) HD3 LYS 66 + H LEU 70 OK 13 81 - 17 - 5.1/7139=4, 2.9/10819=3...(7) HB2 LEU 2 - H LEU 70 lone 6 81 - 7 - 3127/3.0=1 HD2 LYS 12 - H LEU 70 lone 3 77 - 4 - HD3 LYS 12 - H LEU 70 lone 3 77 - 4 - HD3 LYS 13 - H LEU 70 lone 3 84 - 3 - HD2 ARG 81 - H LEU 70 lone 3 92 - 3 - HD2 LYS 13 - H LEU 70 lone 3 77 - 3 - HD2 LYS 33 - H LEU 70 lone 2 94 - 2 - HD3 LYS 33 - H LEU 70 lone 2 94 - 2 - HD3 LYS 24 - H LEU 70 lone 1 61 - 2 - HD3 LYS 90 - H LEU 70 lone 1 61 - 2 - Peak 7152 from nnoeabs.peaks (1.70, 7.96, 119.43 ppm; 3.10 A): 6 out of 18 assignments used, quality = 0.93: * HG LEU 70 + H LEU 70 OK 69 100 - 69 - 4.9=26, 3.0/3142=16...(12) HB3 LEU 70 + H LEU 70 OK 53 70 - 76 - 3.9=49, 1.8/3133=20...(11) HG2 PRO 86 + H LEU 70 OK 22 98 - 22 - 3.8/7139=3, 3150=3...(9) HD3 LYS 66 + H LEU 70 OK 19 100 - 19 - 5.1/7139=4, 2.9/10819=3...(8) HB3 LYS 40 + H LEU 70 OK 17 77 - 21 - 4.1/6638=4, 4.3/6659=4...(7) HG12 ILE 15 + H LEU 70 OK 14 99 - 15 - ~10122=2, 3.2/7154=2...(7) HB2 LEU 2 - H LEU 70 lone 8 100 - 8 - 3128/3.0=1, 57/4.6=1, 57/4.6=1 HD3 LYS 12 - H LEU 70 lone 5 100 - 5 - HD2 LYS 12 - H LEU 70 lone 5 100 - 5 - HD2 LYS 13 - H LEU 70 lone 4 100 - 4 - HD3 LYS 13 - H LEU 70 lone 4 99 - 4 - HD3 LYS 90 - H LEU 70 lone 3 100 - 3 - HD2 LYS 24 - H LEU 70 lone 3 100 - 3 - HD3 LYS 24 - H LEU 70 lone 2 100 - 2 - HB3 ARG 91 - H LEU 70 lone 2 73 - 3 - HD3 LYS 47 - H LEU 70 lone 2 70 - 2 - HD2 LYS 47 - H LEU 70 lone 2 65 - 2 - HB3 LYS 53 - H LEU 70 lone 1 84 - 2 - Peak 7153 from nnoeabs.peaks (0.81, 7.96, 119.43 ppm; 3.76 A): 2 out of 11 assignments used, quality = 0.98: * QD1 LEU 70 + H LEU 70 OK 90 100 - 90 - 4.6=56, 3.1/3142=22...(12) QD2 LEU 70 + H LEU 70 OK 84 96 - 88 - 4.6=56, 3.1/3142=22...(12) QG2 ILE 15 - H LEU 70 OK 26 98 - 26 - 10122/3.0=9, 655/3.9=3...(8) QD2 LEU 2 - H LEU 70 OK 12 97 - 12 - 3130/3.0=2, 3148/3.9=2...(5) QD1 ILE 76 - H LEU 70 OK 10 77 - 14 - 10887/4.6=3, 3130/3.0=2 QD1 LEU 57 - H LEU 70 poor 9 87 - 11 - 3129/3.0=1, 3138/3.9=1...(5) QD2 LEU 38 - H LEU 70 lone 7 97 - 7 - QD2 LEU 57 - H LEU 70 poor 7 57 - 11 - 3130/3.0=1, 3139/3.9=1...(5) QG2 VAL 32 - H LEU 70 lone 4 73 - 6 - 10335/3.9=1 QG2 ILE 7 - H LEU 70 lone 3 70 - 5 - QD2 LEU 103 - H LEU 70 lone 2 90 - 2 - Peak 7154 from nnoeabs.peaks (0.81, 7.96, 119.43 ppm; 3.76 A): 2 out of 10 assignments used, quality = 0.98: * QD2 LEU 70 + H LEU 70 OK 89 100 - 89 - 4.6=56, 3167/3.0=23...(12) QD1 LEU 70 + H LEU 70 OK 86 96 - 90 - 4.6=56, 3.1/3142=22...(12) QG2 ILE 15 - H LEU 70 OK 27 100 - 27 - 10122/3.0=9, 655/3.9=4...(8) QD1 ILE 76 - H LEU 70 OK 18 97 - 18 - 10887/4.6=4, 9535/4.6=2...(4) QD2 LEU 2 - H LEU 70 OK 13 100 - 13 - 3130/3.0=2, 3148/3.9=2...(5) QD2 LEU 57 - H LEU 70 OK 12 87 - 14 - 9535/4.6=2, 3130/3.0=1...(7) QG2 ILE 7 - H LEU 70 lone 6 94 - 6 - QD1 LEU 57 - H LEU 70 lone 6 57 - 10 - 3129/3.0=1, 3138/3.9=1...(5) QD2 LEU 38 - H LEU 70 lone 5 77 - 6 - QD2 LEU 103 - H LEU 70 lone 1 61 - 2 - Peak 7155 from nnoeabs.peaks (8.26, 7.96, 119.43 ppm; 3.51 A): 3 out of 5 assignments used, quality = 0.91: * H ALA 71 + H LEU 70 OK 76 100 - 76 - 4.6=43, 4.1/3142=14...(16) H PHE 45 + H LEU 70 OK 38 100 - 38 - 7157=8, 4.6/6702=4...(14) H LYS 94 + H LEU 70 OK 38 99 - 38 - 3131/3.0=6, 3140/3.9=6...(12) H GLU 23 - H LEU 70 lone 5 73 - 6 - 10806/3.6=1 H LEU 27 - H LEU 70 lone 2 61 - 3 - Peak 7156 from nnoeabs.peaks (8.26, 8.26, 119.60 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ALA 71 + H ALA 71 OK 100 100 - 100 H PHE 45 + H PHE 45 OK 71 71 - 100 Peak 7157 from nnoeabs.peaks (7.96, 8.26, 119.60 ppm; 3.13 A): 4 out of 4 assignments used, quality = 0.86: * H LEU 70 + H ALA 71 OK 63 100 - 64 - 4.6=31, 3142/4.1=11...(13) H LEU 42 + H ALA 71 OK 36 100 - 36 - 3124/3.6=5, 3142/4.1=5...(10) H LEU 42 + H PHE 45 OK 23 71 - 32 - 6679/4.6=8, 3.0/1906=7...(6) H LEU 70 + H PHE 45 OK 22 71 - 31 - 7155=9, 6702/4.6=3...(11) Peak 7158 from nnoeabs.peaks (4.02, 8.26, 119.60 ppm; 3.91 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 70 + H ALA 71 OK 100 100 - 100 - 3.6=100 HA GLU 95 - H ALA 71 OK 31 100 - 31 - 3.0/7528=7, 3134/4.1=6...(7) HA LEU 70 - H PHE 45 OK 26 71 - 36 - 3.0/7155=8, 3131=7...(8) HA GLU 75 - H ALA 71 OK 11 61 - 18 - 9616/2.9=6, 10831/3.0=4...(6) HA GLU 95 - H PHE 45 poor 9 70 - 13 - 3.0/7528=4, 3.6/7548=3 HB3 SER 59 - H ALA 71 lone 3 70 - 4 - HA GLU 75 - H PHE 45 lone 1 36 - 2 - HB3 SER 59 - H PHE 45 lone 1 42 - 1 - Peak 7159 from nnoeabs.peaks (1.37, 8.26, 119.60 ppm; 2.89 A): 3 out of 12 assignments used, quality = 0.75: * HB2 LEU 70 + H ALA 71 OK 61 100 - 61 - 4.1=35, 1.8/3149=11...(13) HG3 LYS 94 + H ALA 71 OK 24 87 - 28 - 2.9/4197=4, 3.7/4170=3...(13) HB2 LEU 70 + H PHE 45 OK 17 71 - 24 - 3140=4, 1.8/3149=4...(9) HG3 LYS 40 - H ALA 71 lone 8 92 - 9 - 3126/3.6=2, 7150/4.6=1 HG3 LYS 94 - H PHE 45 poor 8 55 - 14 - 2.9/4197=2, 3.7/4170=2...(8) HG12 ILE 8 - H ALA 71 lone 7 98 - 7 - 3126/3.6=1, 3144/4.1=1 HB3 ARG 30 - H ALA 71 lone 7 100 - 7 - 3126/3.6=1, 3144/4.1=1 HG LEU 14 - H ALA 71 lone 4 61 - 7 - 2.1/9550=1, 3126/3.6=1 HG3 LYS 40 - H PHE 45 lone 2 60 - 3 - HB3 ARG 30 - H PHE 45 lone 2 71 - 3 - HG12 ILE 8 - H PHE 45 lone 2 67 - 2 - HG LEU 14 - H PHE 45 lone 1 36 - 3 - ~8997=1 Peak 7160 from nnoeabs.peaks (1.72, 8.26, 119.60 ppm; 3.37 A): 4 out of 28 assignments used, quality = 0.91: * HB3 LEU 70 + H ALA 71 OK 79 100 - 79 - 4.1=55, 1.8/7159=18...(15) HG LEU 70 + H ALA 71 OK 36 70 - 52 - 3.0/7159=13, 3.0/3149=12...(14) HB3 LEU 70 + H PHE 45 OK 22 71 - 31 - 3149=7, 1.8/3140=6...(9) HB ILE 15 + H ALA 71 OK 15 81 - 19 - 2.1/7162=3, 3127/3.6=2...(7) HG LEU 70 - H PHE 45 poor 9 42 - 22 - 3.0/3149=4, 3.0/3140=4...(7) HD2 LYS 12 - H ALA 71 lone 6 77 - 8 - 3.6/10823=1, 3.6/10823=1 HD3 LYS 12 - H ALA 71 lone 6 77 - 8 - 3.6/10823=1, 3.6/10823=1 HD3 LYS 66 - H ALA 71 lone 5 81 - 7 - 3127/3.6=1, 3.6/10823=1...(4) HB2 LEU 2 - H ALA 71 lone 5 81 - 6 - 3127/3.6=1 HD3 LYS 33 - H PHE 45 lone 4 62 - 6 - 1469/3.0=1, ~1447=1 HD2 LYS 33 - H PHE 45 lone 4 62 - 6 - 1469/3.0=1, ~1447=1 HB ILE 15 - H PHE 45 lone 3 50 - 7 - 652/4.6=2, 4.5/6741=2 HD2 ARG 81 - H ALA 71 lone 3 92 - 3 - HD3 LYS 24 - H ALA 71 lone 2 61 - 4 - 4.9/12295=2 HD3 LYS 90 - H ALA 71 lone 2 61 - 3 - 5.2/10979=1 HD3 LYS 13 - H ALA 71 lone 2 84 - 2 - HD2 LYS 13 - H ALA 71 lone 2 77 - 2 - HD2 LYS 33 - H ALA 71 lone 1 94 - 1 - HD3 LYS 33 - H ALA 71 lone 1 94 - 1 - HB2 LEU 2 - H PHE 45 lone 1 50 - 2 - HD3 LYS 90 - H PHE 45 lone 1 36 - 3 - 5.2/10979=2 HD3 LYS 66 - H PHE 45 lone 1 50 - 2 - HD2 LYS 12 - H PHE 45 lone 1 47 - 2 - HD3 LYS 12 - H PHE 45 lone 1 47 - 2 - HD3 LYS 24 - H PHE 45 lone 1 36 - 2 - HD3 LYS 13 - H PHE 45 lone 1 53 - 1 - HD2 LYS 13 - H PHE 45 lone 1 47 - 1 - HD2 ARG 81 - H PHE 45 lone 1 60 - 1 - Peak 7161 from nnoeabs.peaks (1.70, 8.26, 119.60 ppm; 3.37 A): 5 out of 36 assignments used, quality = 0.88: * HG LEU 70 + H ALA 71 OK 56 100 - 56 - 3.0/7159=13, 3.0/3149=12...(14) HB3 LEU 70 + H ALA 71 OK 54 70 - 78 - 4.1=55, 1.8/7159=18...(14) HG12 ILE 15 + H ALA 71 OK 18 99 - 18 - 3.2/7162=2, 12025/2.9=2...(8) HG LEU 70 + H PHE 45 OK 18 71 - 25 - 3.0/3149=4, 3.0/3140=4...(7) HB3 LEU 70 + H PHE 45 OK 11 42 - 26 - 1.8/3140=6, 3.9/7155=5...(9) HB3 LYS 40 - H ALA 71 poor 9 77 - 12 - 2.9/7159=2, 3.0/7164=1...(5) HD3 LYS 12 - H ALA 71 lone 8 100 - 8 - 3.6/10823=1, 3.6/10823=1 HD2 LYS 12 - H ALA 71 lone 8 100 - 8 - 3.6/10823=1, 3.6/10823=1 HD3 LYS 66 - H ALA 71 lone 8 100 - 8 - 3128/3.6=2, 3.6/10823=1...(4) HB2 LEU 2 - H ALA 71 lone 7 100 - 7 - 3128/3.6=1, 3137/4.1=1 HG2 PRO 86 - H ALA 71 lone 7 98 - 7 - 3150/4.6=2, 3151/3.6=2 HD3 LYS 90 - H ALA 71 lone 5 100 - 5 - 5.2/10979=1 HB3 ARG 91 - H ALA 71 lone 5 73 - 7 - 3.9/10980=2, 4.3/7473=2 HD2 LYS 24 - H ALA 71 lone 4 100 - 4 - 4.9/12295=2 HD3 LYS 24 - H ALA 71 lone 4 100 - 4 - 4.9/12295=2 HG12 ILE 15 - H PHE 45 lone 4 68 - 6 - 668/4.6=2 HD3 LYS 47 - H PHE 45 lone 4 42 - 10 - 6.3/6759=3, 3.9/4185=2 HD2 LYS 47 - H PHE 45 lone 4 39 - 10 - 6.3/6759=3, 3.9/4185=2 HB3 ARG 91 - H PHE 45 lone 4 45 - 8 - 3.9/10980=3, 4.3/7473=2 HD3 LYS 90 - H PHE 45 lone 4 71 - 5 - 5.2/10979=2 HD2 LYS 13 - H ALA 71 lone 3 100 - 3 - HD3 LYS 47 - H ALA 71 lone 3 70 - 4 - HD3 LYS 13 - H ALA 71 lone 3 99 - 3 - HD2 LYS 47 - H ALA 71 lone 3 65 - 4 - HB2 LEU 2 - H PHE 45 lone 3 70 - 4 - HB3 LYS 40 - H PHE 45 lone 3 47 - 5 - HD3 LYS 24 - H PHE 45 lone 2 71 - 3 - HD2 LYS 24 - H PHE 45 lone 2 70 - 3 - HD3 LYS 66 - H PHE 45 lone 2 70 - 3 - HG2 PRO 86 - H PHE 45 lone 2 67 - 3 - HD3 LYS 12 - H PHE 45 lone 2 71 - 3 - HD2 LYS 12 - H PHE 45 lone 2 71 - 3 - HD2 LYS 13 - H PHE 45 lone 1 71 - 2 - HD3 LYS 13 - H PHE 45 lone 1 69 - 2 - HB3 LYS 53 - H ALA 71 lone 1 84 - 1 - HB3 LYS 53 - H PHE 45 lone 1 53 - 1 - Peak 7162 from nnoeabs.peaks (0.81, 8.26, 119.60 ppm; 3.77 A): 4 out of 22 assignments used, quality = 0.95: QD2 LEU 70 + H ALA 71 OK 67 96 - 70 - 3167/3.6=18, 3.1/7159=15...(16) * QD1 LEU 70 + H ALA 71 OK 66 100 - 67 - 3.1/7159=15, 3.1/3149=14...(16) QG2 ILE 15 + H ALA 71 OK 32 98 - 32 - 10122/3.6=8, 10121/3.0=4...(9) QD1 ILE 76 + H ALA 71 OK 30 77 - 39 - ~10837=11, 12176/2.9=6...(10) QD1 LEU 70 - H PHE 45 OK 22 71 - 32 - 3.1/3149=5, 3.1/3140=5...(9) QD2 LEU 70 - H PHE 45 OK 19 64 - 30 - 3.1/3149=5, 3.1/3140=5...(7) QD1 ILE 76 - H PHE 45 OK 12 47 - 24 - 9630/4.6=5, 9669/3.7=4...(6) QD2 LEU 2 - H ALA 71 OK 11 97 - 11 - 3148/4.1=2, 3130/3.6=2 QG2 ILE 15 - H PHE 45 poor 7 67 - 11 - 660/4.6=4, 4.4/6741=2 QD1 LEU 57 - H ALA 71 lone 6 87 - 6 - 3138/4.1=1, 3147/4.1=1 QG2 ILE 7 - H ALA 71 lone 5 70 - 8 - 3.2/7165=1, 12176/2.9=1 QD2 LEU 38 - H ALA 71 lone 5 97 - 5 - QD2 LEU 57 - H ALA 71 lone 4 57 - 7 - 3139/4.1=1, 3130/3.6=1 QG2 VAL 32 - H ALA 71 lone 4 73 - 5 - QD2 LEU 2 - H PHE 45 lone 2 65 - 4 - QD2 LEU 103 - H ALA 71 lone 2 90 - 2 - QG2 ILE 7 - H PHE 45 lone 2 42 - 4 - 8267/3.7=1 QD2 LEU 38 - H PHE 45 lone 2 65 - 2 - QD1 LEU 57 - H PHE 45 lone 1 55 - 2 - QD2 LEU 103 - H PHE 45 lone 1 58 - 1 - QD2 LEU 57 - H PHE 45 lone 1 34 - 2 - QG2 VAL 32 - H PHE 45 lone 1 45 - 2 - Peak 7163 from nnoeabs.peaks (0.81, 8.26, 119.60 ppm; 3.77 A): 4 out of 20 assignments used, quality = 0.96: * QD2 LEU 70 + H ALA 71 OK 71 100 - 72 - 3167/3.6=20, 3.1/7159=15...(17) QD1 LEU 70 + H ALA 71 OK 63 96 - 66 - 3.1/7159=15, 3.1/3149=14...(16) QD1 ILE 76 + H ALA 71 OK 42 97 - 44 - ~10837=11, 12176/2.9=7...(10) QG2 ILE 15 + H ALA 71 OK 33 100 - 33 - 10122/3.6=8, 10121/3.0=4...(9) QD1 ILE 76 - H PHE 45 OK 23 65 - 35 - 9630/4.6=8, 9669/3.7=7...(7) QD2 LEU 70 - H PHE 45 OK 22 71 - 31 - 3.1/3149=5, 3.1/3140=5...(8) QD1 LEU 70 - H PHE 45 OK 20 64 - 31 - 3.1/3149=5, 3.1/3140=5...(9) QD2 LEU 2 - H ALA 71 OK 12 100 - 12 - 3148/4.1=2, 3130/3.6=2 QG2 ILE 7 - H ALA 71 lone 8 94 - 9 - 3.2/7165=1, 12176/2.9=1 QG2 ILE 15 - H PHE 45 poor 8 71 - 11 - 660/4.6=4, 4.4/6741=2 QD2 LEU 57 - H ALA 71 lone 8 87 - 9 - 3139/4.1=1, 3130/3.6=1 QG2 ILE 7 - H PHE 45 lone 4 62 - 7 - 8267/3.7=2, 8265/3.6=1 QD2 LEU 38 - H ALA 71 lone 4 77 - 5 - QD1 LEU 57 - H ALA 71 lone 3 57 - 6 - 3138/4.1=1, 3147/4.1=1 QD2 LEU 2 - H PHE 45 lone 3 71 - 4 - QD2 LEU 57 - H PHE 45 lone 2 55 - 4 - QD2 LEU 103 - H ALA 71 lone 1 61 - 2 - QD2 LEU 38 - H PHE 45 lone 1 47 - 2 - QD1 LEU 57 - H PHE 45 lone 1 34 - 2 - QD2 LEU 103 - H PHE 45 lone 0 36 - 1 - Peak 7164 from nnoeabs.peaks (3.85, 8.26, 119.60 ppm; 3.16 A): 1 out of 12 assignments used, quality = 1.00: * HA ALA 71 + H ALA 71 OK 100 100 - 100 - 3.0=100 HA ALA 67 - H ALA 71 OK 26 96 - 28 - 2978/4.6=4, 3174=4...(7) HA ALA 71 - H PHE 45 OK 14 71 - 19 - 3174=5, 2.1/3178=3...(7) HA LYS 12 - H ALA 71 OK 11 94 - 12 - 392/4.1=2, 3.0/10823=1 HA LYS 40 - H ALA 71 poor 10 61 - 16 - 4.8/10584=3, 3132/4.1=2...(5) HA ALA 67 - H PHE 45 lone 5 64 - 7 - 4.8/12163=1 HB3 SER 49 - H ALA 71 lone 4 90 - 5 - HA LYS 40 - H PHE 45 lone 3 36 - 9 - 4.8/10584=5 HA ALA 22 - H ALA 71 lone 3 61 - 5 - HA LYS 12 - H PHE 45 lone 2 62 - 3 - HB3 SER 49 - H PHE 45 lone 2 58 - 3 - HA ALA 22 - H PHE 45 lone 1 36 - 2 - Peak 7165 from nnoeabs.peaks (1.41, 8.26, 119.60 ppm; 2.73 A): 1 out of 4 assignments used, quality = 0.85: * QB ALA 71 + H ALA 71 OK 85 100 - 85 - 2.9=81, 7170/4.6=9...(5) QB ALA 71 - H PHE 45 poor 8 71 - 11 - 3178=4, 2.1/3174=2, 3.6/7168=2 HG12 ILE 7 - H ALA 71 lone 4 81 - 5 - HG12 ILE 7 - H PHE 45 lone 1 50 - 2 - Peak 7166 from nnoeabs.peaks (7.91, 8.26, 119.60 ppm; 3.08 A): 2 out of 6 assignments used, quality = 0.70: * H GLN 72 + H ALA 71 OK 54 100 - 54 - 4.6=29, 7170/2.9=23...(6) H GLU 69 + H ALA 71 OK 36 98 - 37 - 7137/4.6=10, 3.0/10806=6...(9) H GLN 72 - H PHE 45 poor 9 71 - 12 - 7168=6, 3.6/3174=2, 3.6/3178=2 H GLU 69 - H PHE 45 poor 9 67 - 13 - 4.6/7155=3, 3.0/10806=3...(4) H ASP 65 - H ALA 71 lone 4 87 - 5 - 3181/2.9=1 H ASP 65 - H PHE 45 lone 1 55 - 2 - Peak 7167 from nnoeabs.peaks (7.91, 7.91, 115.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 72 + H GLN 72 OK 100 100 - 100 Peak 7168 from nnoeabs.peaks (8.26, 7.91, 115.96 ppm; 3.10 A): 3 out of 5 assignments used, quality = 0.67: * H ALA 71 + H GLN 72 OK 55 100 - 55 - 4.6=30, 2.9/7170=23...(8) H LYS 94 + H GLN 72 OK 16 99 - 16 - 3174/3.6=2, 10035/4.8=2...(6) H PHE 45 + H GLN 72 OK 11 100 - 11 - 7166=4, 3174/3.6=2, 3178/3.6=2 H LEU 27 - H GLN 72 poor 8 61 - 13 - 4.6/7178=3, 8637/3.0=2...(5) H GLU 23 - H GLN 72 lone 7 73 - 9 - 3.0/7171=2, 6364/3.0=1...(4) Peak 7169 from nnoeabs.peaks (3.85, 7.91, 115.96 ppm; 3.70 A): 1 out of 6 assignments used, quality = 1.00: * HA ALA 71 + H GLN 72 OK 100 100 - 100 - 3.6=100 HA ALA 67 - H GLN 72 OK 27 96 - 29 - 3.6/7115=6, 3.0/7097=5...(9) HA LYS 12 - H GLN 72 OK 11 94 - 12 - 3.6/10827=3, 9579/4.6=2 HA LYS 40 - H GLN 72 lone 5 61 - 9 - 9579/4.6=2, 7164/4.6=1 HA ALA 22 - H GLN 72 lone 4 61 - 7 - 3.6/7168=2 HB3 SER 49 - H GLN 72 lone 4 90 - 4 - Peak 7170 from nnoeabs.peaks (1.41, 7.91, 115.96 ppm; 3.06 A): 1 out of 2 assignments used, quality = 0.77: * QB ALA 71 + H GLN 72 OK 77 100 - 77 - 3.6=60, 2.9/7168=14...(8) HG12 ILE 7 - H GLN 72 lone 6 81 - 7 - Peak 7171 from nnoeabs.peaks (4.15, 7.91, 115.96 ppm; 3.14 A): 1 out of 7 assignments used, quality = 1.00: * HA GLN 72 + H GLN 72 OK 100 100 - 100 - 3.0=100 HA LYS 73 - H GLN 72 OK 31 70 - 45 - 3.0/7196=19, 3.6/10826=7...(11) HA LYS 13 - H GLN 72 OK 16 100 - 16 - 3182=3, 2.9/10827=2...(4) HA MET 1 - H GLN 72 OK 16 100 - 16 - 3.0/9555=3, 4.2/7174=2...(8) HA GLU 23 - H GLN 72 OK 14 96 - 15 - 3192/3.9=2, 3.0/7172=2...(5) HA LYS 47 - H GLN 72 OK 10 90 - 11 - 3201/3.9=2, 3.9/9556=1...(4) HB2 SER 59 - H GLN 72 lone 4 99 - 4 - Peak 7172 from nnoeabs.peaks (2.16, 7.91, 115.96 ppm; 3.03 A): 7 out of 8 assignments used, quality = 0.91: * HB2 GLN 72 + H GLN 72 OK 79 100 - 79 - 3.9=46, 1.8/7173=25...(11) HB3 GLU 95 + H GLN 72 OK 17 99 - 17 - 2.9/7175=4, 3184/3.0=3...(8) HG2 GLU 75 + H GLN 72 OK 14 94 - 15 - 4.0/9554=5, 5.0/10827=3 HG3 GLU 75 + H GLN 72 OK 14 90 - 15 - 4.0/9554=5, 5.0/10827=3 HB3 GLU 16 + H GLN 72 OK 13 100 - 13 - 703/3.0=3, ~695=2...(6) HB3 GLN 50 + H GLN 72 OK 12 90 - 14 - 2.9/7174=3, 3184/3.0=2...(5) HB3 GLU 23 + H GLN 72 OK 11 92 - 12 - 1029/3.0=2, 3.0/7171=2...(5) HG2 GLU 104 - H GLN 72 lone 1 73 - 1 - Peak 7173 from nnoeabs.peaks (2.23, 7.91, 115.96 ppm; 2.95 A): 2 out of 3 assignments used, quality = 0.80: * HB3 GLN 72 + H GLN 72 OK 75 100 - 75 - 3.9=42, 1.8/3191=19...(11) HG2 GLU 17 + H GLN 72 OK 23 94 - 25 - 3185/3.0=5, 1.8/7174=4...(10) HG2 GLU 99 - H GLN 72 lone 5 81 - 6 - 3185/3.0=1, 1.8/7174=1 Peak 7174 from nnoeabs.peaks (2.42, 7.91, 115.96 ppm; 3.68 A): 3 out of 7 assignments used, quality = 0.93: * HG2 GLN 72 + H GLN 72 OK 85 100 - 85 - 4.8=44, 3.0/7173=25...(12) HG3 GLU 17 + H GLN 72 OK 37 99 - 38 - 1.8/7173=10, 762/3.9=5...(11) HG3 GLN 50 + H GLN 72 OK 28 97 - 29 - 3209=4, 3195/3.9=4...(10) HG3 MET 1 - H GLN 72 OK 26 98 - 27 - 30/3.0=4, 3.0/9555=4...(11) HG3 GLU 99 - H GLN 72 lone 8 81 - 10 - 1.8/7173=2, 3204/3.9=1...(5) HG3 GLU 48 - H GLN 72 lone 7 99 - 7 - HB2 ASP 11 - H GLN 72 lone 5 96 - 5 - Peak 7175 from nnoeabs.peaks (2.54, 7.91, 115.96 ppm; 3.51 A): 3 out of 3 assignments used, quality = 0.92: * HG3 GLN 72 + H GLN 72 OK 83 100 - 83 - 4.8=39, 3.0/7173=23...(13) HG2 MET 74 + H GLN 72 OK 38 92 - 41 - 4.8/10826=7, 9613/3.6=6...(12) HG3 GLU 95 + H GLN 72 OK 26 87 - 30 - 3196/3.9=5, 3205/3.9=4...(13) Peak 7178 from nnoeabs.peaks (7.84, 7.91, 115.96 ppm; 3.29 A): 2 out of 4 assignments used, quality = 0.79: * H LYS 73 + H GLN 72 OK 73 100 - 73 - 7196=38, 3190/3.0=14...(12) H ASN 26 + H GLN 72 OK 23 100 - 23 - 8609/3.0=5, 3199/3.9=3...(9) H LEU 3 - H GLN 72 lone 10 100 - 10 - 3190/3.0=2, 3199/3.9=2...(5) H TYR 41 - H GLN 72 lone 3 65 - 5 - Peak 7179 from nnoeabs.peaks (6.85, 6.85, 111.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 72 + HE21 GLN 72 OK 100 100 - 100 Peak 7182 from nnoeabs.peaks (2.16, 6.85, 111.53 ppm; 6.06 A): 3 out of 8 assignments used, quality = 1.00: * HB2 GLN 72 + HE21 GLN 72 OK 100 100 - 100 - 4.4=100 HB3 GLN 50 + HE21 GLN 72 OK 59 90 - 67 - 2.9/3215=10, ~2286=8...(17) HB3 GLU 95 + HE21 GLN 72 OK 55 99 - 55 - 2.9/7185=10, 3220/3.5=8...(13) HG2 GLU 75 - HE21 GLN 72 OK 36 94 - 38 - 4.0/9570=14, 7190/1.7=5...(12) HG3 GLU 75 - HE21 GLN 72 OK 34 90 - 38 - 4.0/9570=14, 7190/1.7=5...(12) HB3 GLU 23 - HE21 GLN 72 OK 24 92 - 26 - ~7189=4, 3220/3.5=3...(9) HB3 GLU 16 - HE21 GLN 72 OK 21 100 - 21 - 703/5.7=5, 3220/3.5=3...(6) HG2 GLU 104 - HE21 GLN 72 lone 5 73 - 6 - Peak 7184 from nnoeabs.peaks (2.42, 6.85, 111.53 ppm; 4.65 A): 3 out of 7 assignments used, quality = 1.00: * HG2 GLN 72 + HE21 GLN 72 OK 100 100 - 100 - 3.5=100 HG3 GLN 50 + HE21 GLN 72 OK 50 97 - 52 - 7192/1.7=8, 3215=7...(17) HG3 GLU 17 + HE21 GLN 72 OK 48 99 - 49 - 7192/1.7=8, ~7191=7...(13) HG3 MET 1 - HE21 GLN 72 OK 26 98 - 27 - 7192/1.7=4, 3204/4.4=4...(10) HG3 GLU 99 - HE21 GLN 72 OK 14 81 - 17 - ~7191=2, 7192/1.7=2...(8) HG3 GLU 48 - HE21 GLN 72 lone 9 99 - 9 - 7192/1.7=2, 3204/4.4=1 HB2 ASP 11 - HE21 GLN 72 lone 6 96 - 6 - 7192/1.7=1 Peak 7185 from nnoeabs.peaks (2.54, 6.85, 111.53 ppm; 4.65 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 72 + HE21 GLN 72 OK 100 100 - 100 - 3.5=100 HG3 GLU 95 - HE21 GLN 72 OK 37 87 - 43 - 7193/1.7=9, 3196/4.4=7...(13) HG2 MET 74 - HE21 GLN 72 OK 37 92 - 40 - 7193/1.7=8, 3196/4.4=7...(10) Peak 7186 from nnoeabs.peaks (7.44, 6.85, 111.53 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 72 + HE21 GLN 72 OK 100 100 - 100 - 1.7=100 HE3 TRP 92 - HE21 GLN 72 lone 4 92 - 4 - H ALA 89 - HE21 GLN 72 lone 1 73 - 2 - HE ARG 19 - HE21 GLN 72 lone 1 90 - 1 - Peak 7187 from nnoeabs.peaks (7.44, 7.44, 111.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 72 + HE22 GLN 72 OK 100 100 - 100 Peak 7189 from nnoeabs.peaks (4.15, 7.44, 111.53 ppm; 5.33 A): 2 out of 7 assignments used, quality = 0.97: * HA GLN 72 + HE22 GLN 72 OK 95 100 - 95 - 5.7=82, 3187/3.5=22...(13) HA LYS 73 + HE22 GLN 72 OK 38 70 - 55 - ~7201=11, ~3226=10...(11) HA MET 1 - HE22 GLN 72 OK 29 100 - 29 - 6/3.5=6, 3219/3.5=5...(8) HA GLU 23 - HE22 GLN 72 OK 24 96 - 25 - 3192/4.4=4, 3219/3.5=4...(8) HA LYS 13 - HE22 GLN 72 OK 18 100 - 18 - 3192/4.4=3, 3219/3.5=3...(6) HA LYS 47 - HE22 GLN 72 OK 15 90 - 17 - 3201/4.4=4, 3192/4.4=3...(7) HB2 SER 59 - HE22 GLN 72 lone 8 99 - 8 - 3219/3.5=1, 3201/4.4=1 Peak 7190 from nnoeabs.peaks (2.16, 7.44, 111.53 ppm; 5.15 A): 3 out of 8 assignments used, quality = 1.00: * HB2 GLN 72 + HE22 GLN 72 OK 100 100 - 100 - 4.4=100 HB3 GLN 50 + HE22 GLN 72 OK 50 90 - 56 - 2.9/3216=8, 3220/3.5=7...(17) HB3 GLU 95 + HE22 GLN 72 OK 46 99 - 46 - 2.9/7193=8, 3220/3.5=7...(13) HG2 GLU 75 - HE22 GLN 72 OK 29 94 - 31 - 4.0/9571=12, 3220/3.5=3...(10) HG3 GLU 75 - HE22 GLN 72 OK 28 90 - 31 - 4.0/9571=12, 3220/3.5=3...(10) HB3 GLU 23 - HE22 GLN 72 OK 20 92 - 22 - 3.0/7189=4, 3220/3.5=3...(9) HB3 GLU 16 - HE22 GLN 72 OK 18 100 - 18 - 703/5.7=4, 3220/3.5=3...(7) HG2 GLU 104 - HE22 GLN 72 lone 3 73 - 5 - Peak 7191 from nnoeabs.peaks (2.23, 7.44, 111.53 ppm; 5.52 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 72 + HE22 GLN 72 OK 100 100 - 100 - 4.4=100 HG2 GLU 17 + HE22 GLN 72 OK 52 94 - 56 - 3221/3.5=13, 3212/3.5=10...(12) HG2 GLU 99 - HE22 GLN 72 OK 17 81 - 20 - 3221/3.5=4, 3212/3.5=3...(8) Peak 7192 from nnoeabs.peaks (2.42, 7.44, 111.53 ppm; 4.34 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLN 72 + HE22 GLN 72 OK 100 100 - 100 - 3.5=100 HG3 GLN 50 + HE22 GLN 72 OK 46 97 - 48 - 3216=7, 7184/1.7=7...(17) HG3 GLU 17 - HE22 GLN 72 OK 44 99 - 45 - 1.8/7191=7, 7184/1.7=7...(14) HG3 MET 1 - HE22 GLN 72 OK 25 98 - 26 - 7184/1.7=4, 3204/4.4=4...(11) HG3 GLU 99 - HE22 GLN 72 OK 13 81 - 15 - 1.8/7191=3, 7184/1.7=2...(7) HG3 GLU 48 - HE22 GLN 72 lone 8 99 - 8 - 7184/1.7=1, 3204/4.4=1 HB2 ASP 11 - HE22 GLN 72 lone 6 96 - 7 - Peak 7193 from nnoeabs.peaks (2.54, 7.44, 111.53 ppm; 4.25 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 72 + HE22 GLN 72 OK 100 100 - 100 - 3.5=100 HG3 GLU 95 - HE22 GLN 72 OK 32 87 - 37 - 7185/1.7=7, 3196/4.4=6...(13) HG2 MET 74 - HE22 GLN 72 OK 32 92 - 35 - 7185/1.7=7, 3196/4.4=6...(10) Peak 7194 from nnoeabs.peaks (6.85, 7.44, 111.53 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HE21 GLN 72 + HE22 GLN 72 OK 100 100 - 100 - 1.7=100 HD1 TRP 92 - HE22 GLN 72 lone 2 65 - 2 - HD21 ASN 60 - HE22 GLN 72 lone 1 57 - 1 - HE1 TYR 41 - HE22 GLN 72 lone 1 100 - 1 - HE2 TYR 41 - HE22 GLN 72 lone 1 100 - 1 - Peak 7195 from nnoeabs.peaks (7.84, 7.84, 119.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 73 + H LYS 73 OK 100 100 - 100 Peak 7196 from nnoeabs.peaks (7.91, 7.84, 119.03 ppm; 3.06 A): 2 out of 3 assignments used, quality = 0.71: * H GLN 72 + H LYS 73 OK 65 100 - 65 - 4.6=29, 3.0/3190=12...(12) H GLU 69 + H LYS 73 OK 17 98 - 17 - 3182/3.6=5, 3200/4.6=4...(4) H ASP 65 - H LYS 73 lone 4 87 - 4 - Peak 7197 from nnoeabs.peaks (4.15, 7.84, 119.03 ppm; 3.19 A): 2 out of 7 assignments used, quality = 0.96: * HA GLN 72 + H LYS 73 OK 88 100 - 88 - 3.6=72, 3.0/7196=20...(10) HA LYS 73 + H LYS 73 OK 70 70 - 100 - 3.0=100 HA MET 1 - H LYS 73 OK 22 100 - 22 - 3.6/6015=3, 4.2/7200=2...(9) HA LYS 13 - H LYS 73 OK 16 100 - 16 - 3190=3, 10848/4.7=2...(6) HA LYS 47 - H LYS 73 OK 12 90 - 13 - 3.9/3260=2, 3201/4.6=1...(5) HA GLU 23 - H LYS 73 lone 9 96 - 10 - 3.6/8591=2, 3192/4.6=1...(5) HB2 SER 59 - H LYS 73 lone 9 99 - 9 - 1.8/9578=2, ~2685=1 Peak 7198 from nnoeabs.peaks (2.16, 7.84, 119.03 ppm; 3.46 A): 4 out of 8 assignments used, quality = 0.87: * HB2 GLN 72 + H LYS 73 OK 79 100 - 79 - 4.6=42, 1.8/7199=25...(12) HB3 GLU 95 + H LYS 73 OK 19 99 - 19 - 3.0/9578=5, 2.9/7201=4...(6) HG2 GLU 75 + H LYS 73 OK 11 94 - 12 - 4.0/9578=3, 7172/4.6=2...(5) HG3 GLU 75 + H LYS 73 OK 10 90 - 12 - 4.0/9578=3, 7172/4.6=1...(5) HB3 GLU 16 - H LYS 73 lone 10 100 - 9 - 703/3.6=3, 7172/4.6=1 HB3 GLN 50 - H LYS 73 poor 9 90 - 10 - 2.9/7200=2, 3184/3.6=2...(4) HB3 GLU 23 - H LYS 73 lone 9 92 - 10 - 1029/3.6=2, 4.6/8591=1...(5) HG2 GLU 104 - H LYS 73 lone 1 73 - 1 - Peak 7199 from nnoeabs.peaks (2.23, 7.84, 119.03 ppm; 3.59 A): 2 out of 3 assignments used, quality = 0.85: * HB3 GLN 72 + H LYS 73 OK 81 100 - 81 - 4.6=46, 1.8/3199=20...(11) HG2 GLU 17 + H LYS 73 OK 23 94 - 25 - 3185/3.6=6, 7173/4.6=4...(7) HG2 GLU 99 - H LYS 73 lone 5 81 - 6 - 3185/3.6=2, 1.8/7200=1 Peak 7200 from nnoeabs.peaks (2.42, 7.84, 119.03 ppm; 4.54 A): 3 out of 7 assignments used, quality = 0.93: * HG2 GLN 72 + H LYS 73 OK 82 100 - 82 - 3.0/7199=30, 3.0/3199=24...(13) HG3 MET 1 + H LYS 73 OK 40 98 - 41 - 30/3.6=6, 30/3.0=4...(17) HG3 GLU 17 + H LYS 73 OK 38 99 - 39 - 1.8/7199=10, 3204/4.6=6...(10) HG3 GLN 50 - H LYS 73 OK 25 97 - 26 - 3195/4.6=5, 3204/4.6=5...(7) HG3 GLU 48 - H LYS 73 OK 10 99 - 10 - 3186/3.6=1, 7174/4.6=1...(4) HG3 GLU 99 - H LYS 73 poor 9 81 - 11 - 1.8/7199=2, 3204/4.6=1...(5) HB2 ASP 11 - H LYS 73 lone 4 96 - 4 - Peak 7201 from nnoeabs.peaks (2.54, 7.84, 119.03 ppm; 4.35 A): 3 out of 3 assignments used, quality = 0.94: * HG3 GLN 72 + H LYS 73 OK 81 100 - 81 - 3.0/7199=28, 3.0/3199=23...(15) HG2 MET 74 + H LYS 73 OK 51 92 - 56 - 4.8/7213=17, 3187/3.6=7...(14) HG3 GLU 95 + H LYS 73 OK 31 87 - 35 - 4.1/9578=6, 3196/4.6=6...(10) Peak 7204 from nnoeabs.peaks (4.17, 7.84, 119.03 ppm; 3.00 A): 2 out of 7 assignments used, quality = 1.00: * HA LYS 73 + H LYS 73 OK 100 100 - 100 - 3.0=100 HA GLN 72 + H LYS 73 OK 56 70 - 80 - 3.6=60, 3.0/7196=18...(11) HA MET 1 - H LYS 73 OK 13 81 - 16 - 3.6/6015=3, 4.2/7200=2...(4) HA LYS 13 - H LYS 73 poor 7 70 - 11 - 3.9/7207=1, 3190=1, 7216/4.7=1 HB2 SER 59 - H LYS 73 lone 7 84 - 8 - 1.8/9578=2 HA GLU 98 - H LYS 73 lone 1 73 - 1 - HB3 SER 85 - H LYS 73 lone 1 61 - 1 - Peak 7205 from nnoeabs.peaks (1.96, 7.84, 119.03 ppm; 2.77 A): 5 out of 13 assignments used, quality = 0.94: HB3 LYS 73 + H LYS 73 OK 65 100 - 65 - 4.1=32, 2.9/7208=8...(16) * HB2 LYS 73 + H LYS 73 OK 65 100 - 65 - 4.1=32, 2.9/7208=8...(16) HB3 LYS 24 + H LYS 73 OK 22 99 - 22 - 3238=3, 2.9/7208=2...(7) HB2 LYS 24 + H LYS 73 OK 22 99 - 22 - 3238=3, 2.9/7208=2...(7) HB3 MET 74 + H LYS 73 OK 20 99 - 20 - 4.0/7213=8, 2.9/7201=4...(6) HB2 MET 1 - H LYS 73 poor 9 73 - 13 - 3.0/7200=2, 3.0/7197=2...(5) HB2 LYS 47 - H LYS 73 poor 9 90 - 10 - 3.0/3260=2, 2135/3.6=1 HB2 GLU 17 - H LYS 73 lone 6 73 - 9 - 3.0/7199=3, 3.0/7200=2 QE MET 1 - H LYS 73 lone 4 61 - 7 - 3.3/7200=2 HB3 ARG 46 - H LYS 73 lone 2 100 - 2 - HB2 ARG 46 - H LYS 73 lone 1 70 - 2 - HG3 GLU 88 - H LYS 73 lone 1 81 - 1 - HB VAL 32 - H LYS 73 lone 1 70 - 1 - Peak 7206 from nnoeabs.peaks (1.96, 7.84, 119.03 ppm; 2.77 A): 5 out of 12 assignments used, quality = 0.94: * HB3 LYS 73 + H LYS 73 OK 65 100 - 65 - 4.1=32, 2.9/7208=8...(16) HB2 LYS 73 + H LYS 73 OK 65 100 - 65 - 4.1=32, 2.9/7208=8...(16) HB3 LYS 24 + H LYS 73 OK 21 98 - 22 - 3238=3, 2.9/7208=2...(7) HB2 LYS 24 + H LYS 73 OK 21 98 - 22 - 3238=3, 2.9/7208=2...(7) HB3 MET 74 + H LYS 73 OK 20 98 - 20 - 4.0/7213=8, 2.9/7201=4...(6) HB2 MET 1 - H LYS 73 poor 10 77 - 13 - 3.0/7200=2, 3.0/7197=2...(6) HB2 LYS 47 - H LYS 73 lone 8 87 - 10 - 3.0/3260=2 HB2 GLU 17 - H LYS 73 lone 7 77 - 9 - 3.0/7199=3, 3.0/7200=2 HB3 ARG 46 - H LYS 73 lone 2 100 - 2 - HG3 GLU 88 - H LYS 73 lone 1 84 - 1 - HB VAL 32 - H LYS 73 lone 1 73 - 1 - HB2 ARG 46 - H LYS 73 lone 1 65 - 2 - Peak 7207 from nnoeabs.peaks (1.49, 7.84, 119.03 ppm; 3.84 A): 3 out of 11 assignments used, quality = 0.94: * HG2 LYS 73 + H LYS 73 OK 89 100 - 89 - 4.9=47, 1.8/7208=20...(22) HG2 LYS 47 + H LYS 73 OK 34 100 - 34 - 3260=7, 12182/4.6=5...(13) HG3 LYS 24 + H LYS 73 OK 27 73 - 36 - ~9954=6, 1.8/7208=6...(15) HG3 LYS 13 - H LYS 73 OK 23 99 - 23 - 3260=5, 3231/3.0=3...(8) HG3 LYS 66 - H LYS 73 OK 12 100 - 12 - 2.9/7208=2, 3231/3.0=2...(5) HG2 LYS 66 - H LYS 73 OK 12 100 - 12 - 2.9/7208=2, 3231/3.0=2...(5) HB3 LEU 64 - H LYS 73 OK 12 100 - 12 - 2825/4.6=4, 486/3.6=1 HG LEU 64 - H LYS 73 lone 7 87 - 8 - 2833/4.6=3 HB2 ARG 91 - H LYS 73 lone 6 98 - 6 - 3231/3.0=1 HG LEU 57 - H LYS 73 lone 6 94 - 6 - 2.1/9577=1 HG3 LYS 33 - H LYS 73 lone 2 87 - 3 - Peak 7208 from nnoeabs.peaks (1.60, 7.84, 119.03 ppm; 3.42 A): 4 out of 13 assignments used, quality = 0.88: * HG3 LYS 73 + H LYS 73 OK 79 100 - 79 - 4.9=34, 3232/3.0=12...(22) HG2 LYS 24 + H LYS 73 OK 23 87 - 27 - 3232/3.0=4, 1.8/7207=3...(9) HG3 LYS 12 + H LYS 73 OK 14 99 - 14 - 3271=4, 3232/3.0=2...(4) HG LEU 27 + H LYS 73 OK 12 100 - 12 - 5.0/10856=4, ~10850=2...(4) HD2 LYS 66 - H LYS 73 lone 9 100 - 9 - 3232/3.0=2, 2.9/7207=1 HD3 LYS 94 - H LYS 73 lone 7 100 - 7 - 10845/4.6=1 HB2 ARG 30 - H LYS 73 lone 6 99 - 6 - HB2 ARG 79 - H LYS 73 lone 6 100 - 6 - 3232/3.0=1 HG3 LYS 90 - H LYS 73 lone 3 81 - 4 - 9954/3.0=1 HB3 LEU 29 - H LYS 73 lone 2 100 - 2 - HG2 ARG 19 - H LYS 73 lone 2 84 - 2 - HB2 LEU 103 - H LYS 73 lone 1 84 - 2 - HG LEU 103 - H LYS 73 lone 1 73 - 1 - Peak 7209 from nnoeabs.peaks (1.67, 7.84, 119.03 ppm; 4.18 A): 2 out of 16 assignments used, quality = 0.99: * HD2 LYS 73 + H LYS 73 OK 88 100 - 88 - 6.4=28, 3.0/7208=18...(24) HD3 LYS 73 + H LYS 73 OK 88 100 - 88 - 6.4=28, 3.0/7208=18...(24) HD2 LYS 47 - H LYS 73 OK 18 84 - 22 - 3.0/3260=5, 3233/3.0=3...(9) HD3 LYS 47 - H LYS 73 OK 17 81 - 21 - 3.0/3260=5, 3233/3.0=2...(9) HB3 LYS 40 - H LYS 73 OK 12 73 - 16 - 3.0/9579=3, 2.9/9576=3...(4) HD2 LYS 39 - H LYS 73 lone 8 84 - 10 - 4.9/10559=3, 3.0/9576=2 HB3 ARG 79 - H LYS 73 lone 6 84 - 7 - 1.8/7208=2 HD2 LYS 68 - H LYS 73 lone 6 77 - 7 - 3.0/9576=2, 3053/4.6=2 HD3 LYS 68 - H LYS 73 lone 5 73 - 7 - 3.0/9576=2, 3053/4.6=2 HD3 LYS 20 - H LYS 73 lone 5 97 - 5 - HB ILE 52 - H LYS 73 lone 5 100 - 5 - HD2 LYS 20 - H LYS 73 lone 5 92 - 5 - HG3 LYS 20 - H LYS 73 lone 5 97 - 5 - HB3 ARG 91 - H LYS 73 lone 4 77 - 6 - 1.8/7207=1 HB3 LYS 53 - H LYS 73 lone 2 65 - 4 - HB3 LEU 6 - H LYS 73 lone 1 61 - 2 - Peak 7210 from nnoeabs.peaks (1.67, 7.84, 119.03 ppm; 3.91 A): 2 out of 16 assignments used, quality = 0.97: * HD3 LYS 73 + H LYS 73 OK 84 100 - 84 - 6.4=23, 3.0/7208=16...(24) HD2 LYS 73 + H LYS 73 OK 84 100 - 84 - 6.4=23, 3.0/7208=16...(24) HD2 LYS 47 - H LYS 73 OK 15 77 - 19 - 3.0/3260=4, 3233/3.0=2...(9) HD3 LYS 47 - H LYS 73 OK 14 73 - 19 - 3.0/3260=4, 3233/3.0=2...(9) HB3 LYS 40 - H LYS 73 poor 9 65 - 14 - 3.0/9579=3, 2.9/9576=3 HB2 LYS 40 - H LYS 73 poor 9 61 - 14 - 3.0/9579=3, 2.9/9576=3 HD2 LYS 39 - H LYS 73 lone 8 90 - 8 - 4.9/10559=2, 3.0/9576=1 HD2 LYS 68 - H LYS 73 lone 6 84 - 7 - 3053/4.6=2, 3.0/9576=1 HB3 ARG 79 - H LYS 73 lone 6 90 - 6 - 1.8/7208=2 HD3 LYS 68 - H LYS 73 lone 5 81 - 7 - 3053/4.6=2, 3.0/9576=1 HB ILE 52 - H LYS 73 lone 4 99 - 4 - HD3 LYS 20 - H LYS 73 lone 4 94 - 4 - HG3 LYS 20 - H LYS 73 lone 4 94 - 4 - HD2 LYS 20 - H LYS 73 lone 4 87 - 4 - HB3 ARG 91 - H LYS 73 lone 3 70 - 5 - 1.8/7207=1 HB3 LEU 6 - H LYS 73 lone 1 70 - 2 - Peak 7211 from nnoeabs.peaks (2.95, 7.84, 119.03 ppm; 5.54 A): 2 out of 11 assignments used, quality = 0.99: * HE2 LYS 73 + H LYS 73 OK 93 100 - 93 - 7.0=49, 4.0/3271=22...(18) HE3 LYS 73 + H LYS 73 OK 92 99 - 93 - 7.0=49, 4.0/3271=22...(20) HE2 LYS 24 - H LYS 73 OK 31 90 - 35 - 3.7/7208=6, 3.7/7207=5...(12) HE3 LYS 24 - H LYS 73 OK 31 90 - 35 - 3.7/7208=6, 3.7/7207=5...(12) HE3 LYS 13 - H LYS 73 OK 27 97 - 27 - 3.8/7207=4, 3235/3.0=4...(10) HE2 LYS 13 - H LYS 73 OK 26 94 - 27 - 3.8/7207=4, 3235/3.0=3...(10) HB2 ASN 51 - H LYS 73 OK 17 99 - 17 - 9131/3.0=4, 9131/3.6=3...(4) HE3 LYS 12 - H LYS 73 OK 11 81 - 13 - 4.0/3271=4, 6.3/9579=3 HG2 MET 21 - H LYS 73 poor 9 90 - 10 - 12042/6.4=2, 12042/6.4=2 HE3 LYS 90 - H LYS 73 lone 5 77 - 6 - HB3 PHE 45 - H LYS 73 lone 5 73 - 6 - 3.7/10856=3 Peak 7212 from nnoeabs.peaks (2.95, 7.84, 119.03 ppm; 5.54 A): 2 out of 11 assignments used, quality = 0.99: * HE3 LYS 73 + H LYS 73 OK 93 100 - 93 - 7.0=49, 4.0/3271=22...(20) HE2 LYS 73 + H LYS 73 OK 92 99 - 93 - 7.0=49, 4.0/3271=22...(18) HE2 LYS 24 - H LYS 73 OK 25 73 - 35 - 3.7/7208=6, 3.7/7207=5...(12) HE3 LYS 24 - H LYS 73 OK 25 73 - 35 - 3.7/7208=6, 3.7/7207=5...(12) HE3 LYS 13 - H LYS 73 OK 24 87 - 27 - 3.8/7207=4, 3235/3.0=4...(10) HE2 LYS 13 - H LYS 73 OK 22 81 - 27 - 3.8/7207=4, 3235/3.0=3...(10) HB2 ASN 51 - H LYS 73 OK 17 100 - 17 - 9131/3.0=4, 9131/3.6=3...(4) HG2 MET 21 - H LYS 73 OK 11 98 - 11 - 12042/6.4=2, 12042/6.4=2 HE3 LYS 12 - H LYS 73 poor 8 61 - 13 - 4.0/3271=4, 6.3/9579=3 HE3 LYS 90 - H LYS 73 lone 6 92 - 7 - HB2 ASN 10 - H LYS 73 lone 2 65 - 3 - Peak 7213 from nnoeabs.peaks (7.75, 7.84, 119.03 ppm; 3.10 A): 3 out of 4 assignments used, quality = 0.65: * H MET 74 + H LYS 73 OK 55 100 - 55 - 4.7=30, 10848/3.6=7...(14) H VAL 78 + H LYS 73 OK 13 96 - 14 - 10848/3.6=3, 10826/4.6=3...(4) H GLU 37 + H LYS 73 OK 11 99 - 11 - 3237/3.0=3, 10848/3.6=1...(4) H ASN 60 - H LYS 73 lone 5 73 - 7 - 3237/3.0=1 Peak 7214 from nnoeabs.peaks (7.75, 7.75, 115.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 74 + H MET 74 OK 100 100 - 100 Peak 7215 from nnoeabs.peaks (7.84, 7.75, 115.79 ppm; 3.36 A): 2 out of 4 assignments used, quality = 0.69: * H LYS 73 + H MET 74 OK 64 100 - 64 - 4.7=38, 3.6/10848=8...(15) H ASN 26 + H MET 74 OK 14 100 - 14 - 3227/3.6=2, 6412/3.0=2...(5) H LEU 3 - H MET 74 lone 9 100 - 9 - 3227/3.6=2, 9588/6.0=2 H TYR 41 - H MET 74 poor 8 65 - 12 - 3.6/10858=2, 4.0/7229=2 Peak 7216 from nnoeabs.peaks (4.17, 7.75, 115.79 ppm; 3.73 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 73 + H MET 74 OK 100 100 - 100 - 3.6=100 HA GLN 72 - H MET 74 OK 37 70 - 53 - 3.6/7213=19...(13) HA LYS 13 - H MET 74 OK 21 70 - 30 - 2.9/7231=5, 3.6/9583=5...(11) HA MET 1 - H MET 74 OK 20 81 - 25 - 3.0/7230=5, 10859/3.0=3...(12) HB2 SER 59 - H MET 74 OK 11 84 - 12 - 1.8/10857=3, 10859/3.0=1 HA GLU 98 - H MET 74 lone 1 73 - 2 - HB3 SER 85 - H MET 74 lone 1 61 - 1 - Peak 7217 from nnoeabs.peaks (1.96, 7.75, 115.79 ppm; 3.00 A): 3 out of 13 assignments used, quality = 0.95: HB3 MET 74 + H MET 74 OK 70 99 - 71 - 4.0=41, 2.9/7229=12...(11) * HB2 LYS 73 + H MET 74 OK 59 100 - 59 - 4.6=27, 4.1/7213=10...(15) HB3 LYS 73 + H MET 74 OK 59 100 - 59 - 4.6=27, 4.1/7213=10...(15) HB3 LYS 24 - H MET 74 OK 18 99 - 19 - 3248=3, 1.8/3248=2...(8) HB2 LYS 24 - H MET 74 OK 18 99 - 19 - 3248=3, 1.8/3248=2...(8) HB2 MET 1 - H MET 74 poor 10 73 - 13 - 1.8/7230=4, 3.0/7216=2...(4) HB3 ARG 46 - H MET 74 lone 8 100 - 8 - 3329/3.0=2 HB2 LYS 47 - H MET 74 lone 6 90 - 7 - 3.0/3270=1 QE MET 1 - H MET 74 lone 5 61 - 9 - 4.2/7230=2, 3.3/10864=1 HB2 ARG 46 - H MET 74 lone 5 70 - 7 - 3329/3.0=1 HB2 GLU 17 - H MET 74 lone 5 73 - 6 - 1.8/7230=2 HB VAL 32 - H MET 74 lone 4 70 - 6 - 3.0/7225=2, 4.4/8744=1 HG3 GLU 88 - H MET 74 lone 2 81 - 2 - Peak 7218 from nnoeabs.peaks (1.96, 7.75, 115.79 ppm; 3.00 A): 3 out of 12 assignments used, quality = 0.95: HB3 MET 74 + H MET 74 OK 69 98 - 70 - 4.0=41, 2.9/7229=12...(11) * HB3 LYS 73 + H MET 74 OK 59 100 - 59 - 4.6=27, 4.1/7213=10...(15) HB2 LYS 73 + H MET 74 OK 59 100 - 59 - 4.6=27, 4.1/7213=10...(15) HB3 LYS 24 - H MET 74 OK 18 98 - 18 - 3248=3, 1.8/3248=2...(8) HB2 LYS 24 - H MET 74 OK 18 98 - 18 - 3248=3, 1.8/3248=2...(8) HB2 MET 1 - H MET 74 OK 11 77 - 14 - 1.8/7230=4, 3.0/7216=2...(5) HB3 ARG 46 - H MET 74 lone 8 100 - 8 - 3329/3.0=2 HB2 LYS 47 - H MET 74 lone 6 87 - 7 - 3.0/3270=1 HB2 GLU 17 - H MET 74 lone 5 77 - 6 - 1.8/7230=2 HB2 ARG 46 - H MET 74 lone 5 65 - 7 - 3329/3.0=1 HB VAL 32 - H MET 74 lone 4 73 - 6 - 3.0/7225=2, 4.4/8744=1 HG3 GLU 88 - H MET 74 lone 2 84 - 2 - Peak 7219 from nnoeabs.peaks (1.49, 7.75, 115.79 ppm; 5.01 A): 4 out of 11 assignments used, quality = 0.92: * HG2 LYS 73 + H MET 74 OK 77 100 - 77 - 4.9/7213=22, 3231/3.6=20...(15) HG3 LYS 13 + H MET 74 OK 36 99 - 37 - 1.8/9590=7, 3270=7...(9) HG2 LYS 47 + H MET 74 OK 29 100 - 29 - 3270=6, 3231/3.6=5...(8) HG3 LYS 24 + H MET 74 OK 25 73 - 34 - 1.8/7220=6, 3231/3.6=5...(12) HB2 ARG 91 - H MET 74 OK 16 98 - 17 - 2.8/9591=6, 4029/9591=3...(4) HG3 LYS 66 - H MET 74 OK 14 100 - 14 - 2.9/7220=2, 3231/3.6=2...(4) HG2 LYS 66 - H MET 74 OK 14 100 - 14 - 2.9/7220=2, 3231/3.6=2...(4) HG3 LYS 33 - H MET 74 OK 11 87 - 13 - 4.9/8770=5, 4.9/8744=4 HG LEU 57 - H MET 74 lone 9 94 - 9 - 2.1/9592=1 HB3 LEU 64 - H MET 74 lone 8 100 - 8 - 7207/4.7=2, 2825/10826=1 HG LEU 64 - H MET 74 lone 5 87 - 6 - 7207/4.7=1 Peak 7220 from nnoeabs.peaks (1.60, 7.75, 115.79 ppm; 4.91 A): 6 out of 13 assignments used, quality = 0.92: * HG3 LYS 73 + H MET 74 OK 77 100 - 77 - 4.9/7213=21, 3281=20...(14) HG2 LYS 24 + H MET 74 OK 31 87 - 36 - 9954/3.6=8, 7208/4.7=4...(12) HG3 LYS 12 + H MET 74 OK 25 99 - 25 - 3281=6, 3.7/10858=3...(7) HD2 LYS 66 + H MET 74 OK 14 100 - 14 - 3232/3.6=2, 2.9/7219=2...(4) HB2 ARG 79 + H MET 74 OK 13 100 - 13 - 4.1/7283=5, 1.8/7222=2...(4) HG2 ARG 19 + H MET 74 OK 10 84 - 12 - ~12327=9 HG LEU 27 - H MET 74 lone 10 100 - 10 - 7208/4.7=2, 3232/3.6=2 HB2 ARG 30 - H MET 74 lone 8 99 - 8 - 10509/4.7=2 HD3 LYS 94 - H MET 74 lone 8 100 - 8 - 4.7/10858=2, 7208/4.7=1 HB3 LEU 29 - H MET 74 lone 6 100 - 6 - 3.0/9590=1 HG3 LYS 90 - H MET 74 lone 5 81 - 6 - 9954/3.6=2 HB2 LEU 103 - H MET 74 lone 3 84 - 3 - HG LEU 103 - H MET 74 lone 2 73 - 3 - Peak 7221 from nnoeabs.peaks (1.67, 7.75, 115.79 ppm; 5.07 A): 3 out of 16 assignments used, quality = 0.92: * HD2 LYS 73 + H MET 74 OK 68 100 - 68 - 6.4/7215=15, 3.0/3281=15...(9) HD3 LYS 73 + H MET 74 OK 68 100 - 68 - 6.4/7215=15, 3.0/3281=15...(9) HD2 LYS 39 + H MET 74 OK 20 84 - 24 - 9600/6.0=7, 6.0/6594=6...(4) HB3 LYS 40 - H MET 74 OK 15 73 - 20 - 3.0/10858=5, 4.3/7215=3...(10) HD2 LYS 47 - H MET 74 OK 13 84 - 16 - 3.0/7219=4, 3233/3.6=3...(6) HD3 LYS 47 - H MET 74 OK 13 81 - 16 - 3.0/7219=4, 3233/3.6=3...(6) HB ILE 52 - H MET 74 OK 13 100 - 13 - 9600/6.0=3, 3.2/9593=2 HB3 ARG 79 - H MET 74 OK 12 84 - 14 - 4.1/7283=6, 1.8/7220=3 HB3 ARG 91 - H MET 74 OK 12 77 - 16 - 2.8/9591=7, 1.8/7219=3 HD3 LYS 20 - H MET 74 lone 7 97 - 7 - HG3 LYS 20 - H MET 74 lone 6 97 - 7 - HD2 LYS 68 - H MET 74 lone 6 77 - 8 - 9600/6.0=1 HD2 LYS 20 - H MET 74 lone 6 92 - 6 - HD3 LYS 68 - H MET 74 lone 6 73 - 8 - 9600/6.0=1 HB3 LYS 53 - H MET 74 lone 4 65 - 7 - 4.4/11116=3 HB3 LEU 6 - H MET 74 lone 3 61 - 5 - 9600/6.0=1 Peak 7222 from nnoeabs.peaks (1.67, 7.75, 115.79 ppm; 4.83 A): 8 out of 16 assignments used, quality = 0.94: * HD3 LYS 73 + H MET 74 OK 64 100 - 65 - 3.0/3281=14, 3234/3.6=13...(9) HD2 LYS 73 + H MET 74 OK 64 100 - 65 - 3.0/3281=14, 3234/3.6=13...(9) HD2 LYS 39 + H MET 74 OK 20 90 - 23 - 9600/6.0=6, 6.0/6594=6...(4) HB3 ARG 79 + H MET 74 OK 12 90 - 14 - 4.1/7283=5, 1.8/7220=2 HB3 LYS 40 + H MET 74 OK 12 65 - 18 - 3.0/10858=5, 4.3/7215=3...(9) HB ILE 52 + H MET 74 OK 11 99 - 11 - 9600/6.0=3, 3.2/9593=2 HD2 LYS 47 + H MET 74 OK 11 77 - 15 - 3.0/7219=4, 3233/3.6=3...(6) HD3 LYS 47 + H MET 74 OK 10 73 - 14 - 3.0/7219=4, 3233/3.6=3...(6) HB2 LYS 40 - H MET 74 poor 10 61 - 16 - 3.0/10858=5, 4.3/7215=3...(6) HB3 ARG 91 - H MET 74 poor 10 70 - 14 - 2.8/9591=6, 1.8/7219=3 HD2 LYS 68 - H MET 74 lone 7 84 - 8 - 9600/6.0=1 HD3 LYS 68 - H MET 74 lone 6 81 - 8 - HD3 LYS 20 - H MET 74 lone 6 94 - 6 - HG3 LYS 20 - H MET 74 lone 6 94 - 6 - HD2 LYS 20 - H MET 74 lone 5 87 - 6 - HB3 LEU 6 - H MET 74 lone 3 70 - 5 - Peak 7225 from nnoeabs.peaks (4.40, 7.75, 115.79 ppm; 3.61 A): 1 out of 6 assignments used, quality = 1.00: * HA MET 74 + H MET 74 OK 100 100 - 100 - 3.0=100 HA MET 21 - H MET 74 OK 21 96 - 22 - 957/4.0=3, 3335/4.0=3...(12) HA ALA 25 - H MET 74 OK 19 92 - 20 - 3.6/7215=4, 3335/4.0=2...(9) HA VAL 32 - H MET 74 OK 18 96 - 18 - 3.6/8744=2, 3335/4.0=2...(8) HA GLN 50 - H MET 74 OK 14 99 - 14 - 7234/4.6=2, 3335/4.0=2...(9) HA HIS 106 - H MET 74 OK 10 99 - 10 - 3335/4.0=1, 3343/4.0=1...(4) Peak 7226 from nnoeabs.peaks (2.06, 7.75, 115.79 ppm; 3.61 A): 2 out of 13 assignments used, quality = 0.93: * HB2 MET 74 + H MET 74 OK 90 100 - 90 - 4.0=72, 2.9/7229=18...(14) HB3 LEU 38 + H MET 74 OK 27 92 - 29 - 3.8/6579=6, 3.0/10858=5...(10) HB3 GLU 43 - H MET 74 OK 17 100 - 18 - 3328/3.0=2, 3368/6.0=2...(8) HB3 GLU 35 - H MET 74 OK 16 65 - 24 - 1.8/7230=5, 4.7/6565=3...(10) HB2 MET 21 - H MET 74 OK 13 87 - 16 - 3.0/7225=3, 3328/3.0=3...(6) HB2 GLU 16 - H MET 74 OK 11 84 - 13 - 3328/3.0=2, ~10865=1...(5) HB3 GLU 88 - H MET 74 lone 5 77 - 6 - HG3 GLU 28 - H MET 74 lone 4 100 - 4 - HG2 GLU 28 - H MET 74 lone 4 100 - 4 - HB3 GLU 48 - H MET 74 lone 3 77 - 4 - HB2 GLU 98 - H MET 74 lone 2 65 - 2 - HB3 GLU 98 - H MET 74 lone 1 61 - 2 - HB2 GLU 99 - H MET 74 lone 1 61 - 1 - Peak 7227 from nnoeabs.peaks (1.96, 7.75, 115.79 ppm; 3.00 A): 3 out of 11 assignments used, quality = 0.95: * HB3 MET 74 + H MET 74 OK 71 100 - 71 - 4.0=41, 2.9/7229=12...(11) HB2 LYS 73 + H MET 74 OK 58 99 - 59 - 4.6=27, 4.1/7213=10...(15) HB3 LYS 73 + H MET 74 OK 58 98 - 59 - 4.6=27, 4.1/7213=10...(15) HB2 GLU 37 - H MET 74 OK 23 77 - 30 - 1.8/1594=6, 3.0/1577=4...(9) HB2 LYS 24 - H MET 74 OK 19 100 - 19 - 3248=3, 1.8/3248=2...(8) HB3 LYS 24 - H MET 74 OK 19 100 - 19 - 3248=3, 1.8/3248=2...(8) HB3 ARG 46 - H MET 74 lone 8 100 - 8 - 3329/3.0=2 QE MET 1 - H MET 74 lone 8 81 - 10 - 4.2/7230=2, 3.3/10864=1 HB2 LYS 47 - H MET 74 lone 7 98 - 7 - 3.0/3270=1 HB2 ARG 46 - H MET 74 lone 7 87 - 8 - 3329/3.0=1 HG3 GLU 88 - H MET 74 lone 1 61 - 2 - Peak 7228 from nnoeabs.peaks (2.53, 7.75, 115.79 ppm; 3.58 A): 4 out of 5 assignments used, quality = 0.93: * HG2 MET 74 + H MET 74 OK 84 100 - 84 - 4.8=41, 1.8/7229=23...(15) HG3 GLN 72 + H MET 74 OK 40 92 - 44 - 3.9/10848=8, 4.8/10826=6...(16) HG3 GLU 95 + H MET 74 OK 24 100 - 23 - 4.1/10857=3, 3330/3.0=3...(10) HG3 GLU 63 + H MET 74 OK 11 87 - 12 - 3338/4.0=2, 3330/3.0=2...(6) HB2 ASP 61 - H MET 74 lone 1 65 - 2 - Peak 7229 from nnoeabs.peaks (2.62, 7.75, 115.79 ppm; 3.63 A): 3 out of 4 assignments used, quality = 0.90: * HG3 MET 74 + H MET 74 OK 84 100 - 84 - 4.8=43, 1.8/7228=20...(15) HB3 ASP 77 + H MET 74 OK 29 87 - 33 - 3471=5, 1.8/3466=5...(11) HB3 TYR 41 + H MET 74 OK 13 77 - 17 - 3331/3.0=3, 3347/4.0=3...(7) HB3 ASP 65 - H MET 74 lone 3 65 - 5 - Peak 7230 from nnoeabs.peaks (2.00, 7.75, 115.79 ppm; 3.55 A): 6 out of 7 assignments used, quality = 0.91: * QE MET 74 + H MET 74 OK 72 100 - 72 - 6.0=21, 3.4/7229=16...(15) HB3 MET 1 + H MET 74 OK 29 100 - 29 - 3332/3.0=4, 3348/4.0=4...(13) HB2 GLU 35 + H MET 74 OK 25 98 - 26 - 4.7/6565=3, 3332/3.0=3...(12) HB3 GLU 44 + H MET 74 OK 16 100 - 16 - 3332/3.0=3, 3348/4.0=3...(7) HB2 GLU 44 + H MET 74 OK 16 100 - 16 - 3332/3.0=3, 3348/4.0=3...(7) HB3 GLU 17 + H MET 74 OK 14 99 - 14 - 3332/3.0=2, 3348/4.0=2...(7) HB2 GLU 62 - H MET 74 lone 4 81 - 5 - Peak 7231 from nnoeabs.peaks (8.08, 7.75, 115.79 ppm; 3.51 A): 5 out of 6 assignments used, quality = 0.91: * H GLU 75 + H MET 74 OK 74 100 - 74 - 4.6=43, 4.8/7229=10...(16) H LYS 39 + H MET 74 OK 33 97 - 34 - 6594=6, 4.6/6579=4...(11) H LYS 13 + H MET 74 OK 28 100 - 28 - 2.9/10848=4, 4.6/9583=3...(13) H ILE 15 + H MET 74 OK 22 100 - 22 - 4.6/9583=3, 4.9/9593=2...(10) H GLU 17 + H MET 74 OK 12 84 - 14 - 3333/3.0=2, 4.0/7230=2 H SER 102 - H MET 74 lone 2 70 - 3 - Peak 7232 from nnoeabs.peaks (8.08, 8.08, 116.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 75 + H GLU 75 OK 100 100 - 100 Peak 7233 from nnoeabs.peaks (7.75, 8.08, 116.25 ppm; 3.58 A): 3 out of 4 assignments used, quality = 0.88: * H MET 74 + H GLU 75 OK 76 100 - 76 - 4.6=46, 7229/4.8=10...(17) H GLU 37 + H GLU 75 OK 37 99 - 37 - 6577=7, 3326/3.6=5...(12) H VAL 78 + H GLU 75 OK 22 96 - 23 - 9643/4.6=4, 3326/3.6=3...(8) H ASN 60 - H GLU 75 lone 7 73 - 10 - 3350/4.8=1, 3326/3.6=1 Peak 7234 from nnoeabs.peaks (4.40, 8.08, 116.25 ppm; 3.72 A): 1 out of 6 assignments used, quality = 1.00: * HA MET 74 + H GLU 75 OK 100 100 - 100 - 3.6=100 HA GLN 50 - H GLU 75 OK 20 99 - 21 - 9624/2.9=4, 9623/4.0=3...(11) HA MET 21 - H GLU 75 OK 19 96 - 20 - 957/4.3=3, 3335/4.3=3...(9) HA ALA 25 - H GLU 75 OK 12 92 - 13 - 3343/4.3=2, 3335/4.3=2...(6) HA VAL 32 - H GLU 75 OK 12 96 - 12 - 3335/4.3=2, 7225/4.6=2...(6) HA HIS 106 - H GLU 75 lone 10 99 - 10 - 3335/4.3=1, 3343/4.3=1...(6) Peak 7235 from nnoeabs.peaks (2.06, 8.08, 116.25 ppm; 4.63 A): 1 out of 13 assignments used, quality = 1.00: * HB2 MET 74 + H GLU 75 OK 100 100 - 100 - 4.3=100 HB3 LEU 38 - H GLU 75 OK 42 92 - 46 - 1641=7, 3.8/6591=6...(13) HB2 GLU 16 - H GLU 75 OK 23 84 - 27 - 1.8/7243=3, 9645/4.6=2...(15) HB3 GLU 43 - H GLU 75 OK 22 100 - 22 - 3360/4.8=3, 3352/4.8=3...(7) HB2 MET 21 - H GLU 75 OK 19 87 - 22 - 3.0/7234=4, 3328/3.6=4...(8) HB3 GLU 35 - H GLU 75 OK 15 65 - 23 - 1.8/7239=5, 3328/3.6=2...(9) HB3 GLU 88 - H GLU 75 OK 12 77 - 15 - 3.9/7245=3, 9645/4.6=2...(4) HG2 GLU 28 - H GLU 75 lone 6 100 - 6 - 3328/3.6=1, 3344/4.3=1 HG3 GLU 28 - H GLU 75 lone 6 100 - 6 - 3328/3.6=1, 3344/4.3=1 HB3 GLU 48 - H GLU 75 lone 5 77 - 7 - 9645/4.6=2 HB2 GLU 98 - H GLU 75 lone 3 65 - 4 - HB3 GLU 98 - H GLU 75 lone 2 61 - 4 - HB2 GLU 99 - H GLU 75 lone 1 61 - 2 - Peak 7236 from nnoeabs.peaks (1.96, 8.08, 116.25 ppm; 4.35 A): 1 out of 11 assignments used, quality = 1.00: * HB3 MET 74 + H GLU 75 OK 100 100 - 100 - 4.3=100 HB2 LYS 73 - H GLU 75 OK 39 99 - 40 - 4.6/7233=14, 3.0/9618=6...(10) HB3 LYS 73 - H GLU 75 OK 39 98 - 40 - 4.6/7233=14, 3.0/9618=6...(10) HB2 GLU 37 - H GLU 75 OK 23 77 - 30 - 4.1/7233=8, 1.8/7241=5...(10) HB2 LYS 24 - H GLU 75 OK 18 100 - 18 - 3329/3.6=3, 9644/4.6=2...(8) HB3 LYS 24 - H GLU 75 OK 18 100 - 18 - 3329/3.6=3, 9644/4.6=2...(8) HB3 ARG 46 - H GLU 75 OK 14 100 - 14 - 3329/3.6=3, 9644/4.6=2...(5) QE MET 1 - H GLU 75 OK 13 81 - 16 - 4.2/7239=4, 5.3/9618=2 HB2 ARG 46 - H GLU 75 OK 11 87 - 12 - 3329/3.6=2, 9644/4.6=2...(5) HB2 LYS 47 - H GLU 75 lone 10 98 - 10 - 9644/4.6=1 HG3 GLU 88 - H GLU 75 lone 6 61 - 10 - 1.8/7241=2, 4.9/7245=2 Peak 7237 from nnoeabs.peaks (2.53, 8.08, 116.25 ppm; 5.40 A): 2 out of 5 assignments used, quality = 1.00: * HG2 MET 74 + H GLU 75 OK 100 100 - 100 - 4.8=100 HG3 GLN 72 + H GLU 75 OK 72 92 - 79 - 9562/2.9=15...(19) HG3 GLU 95 - H GLU 75 OK 31 100 - 31 - 7228/4.6=6, 3330/3.6=5...(7) HG3 GLU 63 - H GLU 75 OK 19 87 - 22 - 3346/4.3=4, 3338/4.3=4...(6) HB2 ASP 61 - H GLU 75 lone 3 65 - 4 - Peak 7238 from nnoeabs.peaks (2.62, 8.08, 116.25 ppm; 6.27 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 74 + H GLU 75 OK 100 100 - 100 - 4.8=100 HB3 ASP 77 - H GLU 75 OK 37 87 - 43 - 7229/4.6=10, 3331/3.6=9...(6) HB3 TYR 41 - H GLU 75 OK 26 77 - 34 - 3347/4.3=7, 3339/4.3=6...(9) HB3 ASP 65 - H GLU 75 lone 6 65 - 9 - 3347/4.3=1, 7229/4.6=1...(4) Peak 7239 from nnoeabs.peaks (2.00, 8.08, 116.25 ppm; 4.69 A): 6 out of 7 assignments used, quality = 0.92: * QE MET 74 + H GLU 75 OK 57 100 - 57 - 3367/3.6=16, 3348/4.3=14...(7) HB3 MET 1 + H GLU 75 OK 36 100 - 36 - 3348/4.3=6, 3332/3.6=6...(11) HB2 GLU 35 + H GLU 75 OK 28 98 - 29 - 7230/4.6=4, 3332/3.6=4...(10) HB3 GLU 44 + H GLU 75 OK 26 100 - 26 - 3348/4.3=5, 3340/4.3=4...(7) HB2 GLU 44 + H GLU 75 OK 26 100 - 26 - 3348/4.3=5, 3340/4.3=4...(7) HB3 GLU 17 + H GLU 75 OK 23 99 - 23 - 3332/3.6=3, 3348/4.3=2...(11) HB2 GLU 62 - H GLU 75 lone 5 81 - 6 - Peak 7240 from nnoeabs.peaks (4.00, 8.08, 116.25 ppm; 3.12 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 75 + H GLU 75 OK 100 100 - 100 - 2.9=100 HA GLU 69 - H GLU 75 OK 18 98 - 19 - 3382/4.0=3, 3.0/7241=2...(6) HA LEU 70 - H GLU 75 lone 5 61 - 9 - 10857/4.6=2 HB3 SER 97 - H GLU 75 lone 1 70 - 2 - Peak 7241 from nnoeabs.peaks (2.13, 8.08, 116.25 ppm; 3.44 A): 6 out of 10 assignments used, quality = 0.91: * HB2 GLU 75 + H GLU 75 OK 79 100 - 79 - 4.0=61, 1.8/7242=12...(11) HB3 GLU 37 + H GLU 75 OK 18 92 - 19 - 4.1/7233=5, 1594/4.6=3...(8) HB3 GLU 69 + H GLU 75 OK 17 94 - 19 - 3.0/7240=4, 3376/2.9=4...(9) HB2 GLU 69 + H GLU 75 OK 17 94 - 19 - 3.0/7240=4, 3376/2.9=4...(9) HG2 GLU 69 + H GLU 75 OK 14 94 - 15 - 3111/2.9=4, 4.1/7240=3...(5) HB2 PRO 86 + H GLU 75 OK 11 73 - 15 - 1.8/10953=4, 3376/2.9=2...(7) HG2 GLU 88 - H GLU 75 lone 7 98 - 7 - 3886/4.6=1, 4.9/7245=1 HG2 GLU 44 - H GLU 75 lone 6 100 - 6 - 3.0/7239=2, 3.0/7239=2 HB3 GLU 23 - H GLU 75 lone 4 65 - 5 - 4.6/7245=1 HG2 GLU 104 - H GLU 75 lone 1 87 - 1 - Peak 7242 from nnoeabs.peaks (2.19, 8.08, 116.25 ppm; 3.51 A): 3 out of 11 assignments used, quality = 0.95: * HB3 GLU 75 + H GLU 75 OK 83 100 - 83 - 4.0=65, 1.8/7241=17...(12) HG3 GLU 75 + H GLU 75 OK 50 77 - 65 - 5.0=34, 3.0/7241=12...(12) HG2 GLU 75 + H GLU 75 OK 45 70 - 65 - 5.0=34, 3.0/7241=12...(12) HG3 PRO 86 - H GLU 75 OK 16 98 - 17 - 2.3/10953=4, 3389/2.9=3...(6) HG2 MET 1 - H GLU 75 OK 11 94 - 12 - 3.0/7239=3, 4.2/9618=2...(4) HG2 GLU 35 - H GLU 75 lone 9 97 - 9 - 2.9/7239=2, 10864/4.6=1 HG3 GLU 35 - H GLU 75 lone 9 97 - 9 - 2.9/7239=2, 10864/4.6=1 HB2 GLU 63 - H GLU 75 lone 8 96 - 9 - 10236/4.8=2, 2777/4.8=2 HB3 GLN 50 - H GLU 75 lone 8 77 - 10 - 3.0/7234=3, ~9624=2, 2290/3.6=1 HG2 GLU 43 - H GLU 75 lone 6 100 - 6 - 3.0/7235=2 HB2 GLU 95 - H GLU 75 lone 5 77 - 6 - 2.9/7237=2, 4290/4.8=1 Peak 7243 from nnoeabs.peaks (2.17, 8.08, 116.25 ppm; 3.30 A): 4 out of 9 assignments used, quality = 0.95: * HG2 GLU 75 + H GLU 75 OK 61 100 - 61 - 5.0=28, 3.0/7241=11...(12) HG3 GLU 75 + H GLU 75 OK 61 100 - 61 - 5.0=28, 3.0/7241=11...(12) HB3 GLU 75 + H GLU 75 OK 52 70 - 76 - 4.0=54, 1.8/7241=15...(12) HB2 GLN 72 + H GLU 75 OK 35 94 - 37 - 9560/2.9=6, 3.9/10827=5...(12) HB3 GLU 16 - H GLU 75 OK 13 97 - 14 - 710=2, 1.8/702=2...(6) HB3 GLN 50 - H GLU 75 OK 12 100 - 12 - 3.0/7234=3, 10865/3.6=2...(4) HB3 GLU 95 - H GLU 75 lone 6 81 - 7 - 10865/3.6=2, 2.9/7237=2 HB3 GLU 23 - H GLU 75 lone 4 61 - 6 - 4.6/7245=1 HG2 GLU 43 - H GLU 75 lone 3 73 - 4 - 3.0/7235=1 Peak 7244 from nnoeabs.peaks (2.17, 8.08, 116.25 ppm; 3.30 A): 4 out of 8 assignments used, quality = 0.96: HG2 GLU 75 + H GLU 75 OK 61 100 - 61 - 5.0=28, 3.0/7241=11...(12) * HG3 GLU 75 + H GLU 75 OK 61 100 - 61 - 5.0=28, 3.0/7241=11...(12) HB3 GLU 75 + H GLU 75 OK 58 77 - 76 - 4.0=54, 1.8/7241=15...(12) HB2 GLN 72 + H GLU 75 OK 33 90 - 37 - 9560/2.9=5, 3.9/10827=5...(12) HB3 GLU 16 - H GLU 75 OK 13 94 - 13 - 710=2, 1.8/702=2...(6) HB3 GLN 50 - H GLU 75 OK 12 100 - 12 - 3.0/7234=3, 10865/3.6=2...(4) HB3 GLU 95 - H GLU 75 lone 5 73 - 7 - 10865/3.6=2, 2.9/7237=2 HG2 GLU 43 - H GLU 75 lone 3 81 - 4 - 3.0/7235=1 Peak 7245 from nnoeabs.peaks (7.56, 8.08, 116.25 ppm; 3.69 A): 4 out of 4 assignments used, quality = 0.89: * H ILE 76 + H GLU 75 OK 78 100 - 78 - 4.6=50, 7248/2.9=27...(9) H LEU 14 + H GLU 75 OK 37 96 - 39 - 6187=7, 3380/2.9=6...(17) H LYS 24 + H GLU 75 OK 10 84 - 12 - 3380/2.9=2, 4.0/7236=1...(5) H GLU 88 + H GLU 75 OK 10 90 - 11 - 3380/2.9=2, 3387/4.0=2 Peak 7246 from nnoeabs.peaks (7.56, 7.56, 115.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 76 + H ILE 76 OK 100 100 - 100 Peak 7247 from nnoeabs.peaks (8.08, 7.56, 115.96 ppm; 3.42 A): 5 out of 6 assignments used, quality = 0.94: * H GLU 75 + H ILE 76 OK 70 100 - 70 - 4.6=40, 2.9/7248=24...(9) H ILE 15 + H ILE 76 OK 51 100 - 51 - 6209=16, 3.6/583=5...(16) H LYS 13 + H ILE 76 OK 43 100 - 43 - 6182=15, 2.9/9650=6...(12) H LYS 39 + H ILE 76 OK 15 97 - 16 - 5.2/7257=1, 6.0/7254=1...(5) H GLU 17 + H ILE 76 OK 14 84 - 16 - 4.6/6227=3, 6260/4.6=2...(5) H SER 102 - H ILE 76 lone 2 70 - 2 - Peak 7248 from nnoeabs.peaks (4.00, 7.56, 115.96 ppm; 3.16 A): 2 out of 4 assignments used, quality = 0.83: * HA GLU 75 + H ILE 76 OK 81 100 - 81 - 3.5=71, 2.9/7245=12...(7) HA GLU 69 + H ILE 76 OK 11 98 - 11 - 3382/4.1=3, 3389/4.1=2...(5) HA LEU 70 - H ILE 76 lone 6 61 - 9 - 4.9/10829=5 HB3 SER 97 - H ILE 76 lone 1 70 - 1 - Peak 7249 from nnoeabs.peaks (2.13, 7.56, 115.96 ppm; 3.89 A): 1 out of 10 assignments used, quality = 0.93: * HB2 GLU 75 + H ILE 76 OK 93 100 - 93 - 4.1=84, 2.9/7248=30...(6) HB3 GLU 37 - H ILE 76 OK 18 92 - 20 - 4.1/9643=4, 1.8/9644=3...(7) HG2 GLU 88 - H ILE 76 OK 16 98 - 16 - 3886=4, 1.8/3893=3...(5) HB2 PRO 86 - H ILE 76 OK 14 73 - 20 - 2.3/9853=4, 2.3/7250=3...(7) HB3 GLU 69 - H ILE 76 OK 11 94 - 12 - 3.0/7248=4, 3376/3.5=4...(4) HB2 GLU 69 - H ILE 76 OK 11 94 - 12 - 3.0/7248=4, 3376/3.5=4...(4) HB3 GLU 23 - H ILE 76 OK 10 65 - 15 - 3.0/9650=4, 1.8/1026=2...(6) HG2 GLU 69 - H ILE 76 poor 10 94 - 10 - 3111/3.5=4, 4.1/7248=3 HG2 GLU 44 - H ILE 76 lone 3 100 - 3 - HG2 GLU 104 - H ILE 76 lone 2 87 - 2 - Peak 7250 from nnoeabs.peaks (2.19, 7.56, 115.96 ppm; 4.07 A): 1 out of 11 assignments used, quality = 0.99: * HB3 GLU 75 + H ILE 76 OK 99 100 - 99 - 4.1=97, 2.9/7248=32...(7) HG3 GLU 75 - H ILE 76 OK 41 77 - 54 - 4.0/7248=24, 3.0/7249=15...(5) HG2 GLU 75 - H ILE 76 OK 37 70 - 54 - 4.0/7248=24, 3.0/7249=15...(5) HG3 PRO 86 - H ILE 76 OK 23 98 - 24 - 3389/3.5=4, 3.8/9853=3...(7) HG2 GLU 43 - H ILE 76 OK 12 100 - 12 - 3.0/9645=3, 9663/4.5=2...(4) HG2 GLU 35 - H ILE 76 OK 10 97 - 10 - 2.9/9645=2, 6560/8772=2 HG3 GLU 35 - H ILE 76 OK 10 97 - 10 - 2.9/9645=2, 6560/8772=2 HB2 GLU 63 - H ILE 76 lone 9 96 - 9 - 9663/4.5=2, 10744/4.7=1 HG2 MET 1 - H ILE 76 lone 9 94 - 9 - 4.2/9650=2, 7242/4.6=1 HB3 GLN 50 - H ILE 76 lone 3 77 - 4 - HB2 GLU 95 - H ILE 76 lone 3 77 - 3 - Peak 7251 from nnoeabs.peaks (2.17, 7.56, 115.96 ppm; 3.77 A): 5 out of 9 assignments used, quality = 0.94: HB3 GLU 75 + H ILE 76 OK 63 70 - 90 - 4.1=77, 2.9/7248=28...(7) * HG2 GLU 75 + H ILE 76 OK 51 100 - 51 - 4.0/7248=21, 3.0/7249=13...(5) HG3 GLU 75 + H ILE 76 OK 51 100 - 51 - 4.0/7248=21, 3.0/7249=13...(5) HB3 GLU 16 + H ILE 76 OK 17 97 - 18 - 4.0/6227=5, 1.8/9645=3...(7) HB2 GLN 72 + H ILE 76 OK 16 94 - 17 - 9560/3.5=7, 3.0/9650=4...(4) HB3 GLU 23 - H ILE 76 poor 9 61 - 14 - 3.0/9650=4, 1.8/1026=2...(6) HG2 GLU 43 - H ILE 76 lone 6 73 - 8 - 3.0/9645=2, 9663/4.5=2 HB3 GLN 50 - H ILE 76 lone 5 100 - 5 - 3378/3.5=1 HB3 GLU 95 - H ILE 76 lone 3 81 - 3 - Peak 7252 from nnoeabs.peaks (2.17, 7.56, 115.96 ppm; 3.77 A): 5 out of 8 assignments used, quality = 0.95: HB3 GLU 75 + H ILE 76 OK 69 77 - 90 - 4.1=77, 2.9/7248=28...(7) * HG3 GLU 75 + H ILE 76 OK 51 100 - 51 - 4.0/7248=21, 3.0/7249=13...(5) HG2 GLU 75 + H ILE 76 OK 51 100 - 51 - 4.0/7248=21, 3.0/7249=13...(5) HB3 GLU 16 + H ILE 76 OK 16 94 - 17 - 4.0/6227=5, 1.8/9645=3...(7) HB2 GLN 72 + H ILE 76 OK 14 90 - 16 - 9560/3.5=6, 3.0/9650=4...(4) HG2 GLU 43 - H ILE 76 lone 7 81 - 8 - 3.0/9645=2, 9663/4.5=2 HB3 GLN 50 - H ILE 76 lone 5 100 - 5 - 3378/3.5=1 HB3 GLU 95 - H ILE 76 lone 2 73 - 3 - Peak 7253 from nnoeabs.peaks (4.43, 7.56, 115.96 ppm; 3.51 A): 1 out of 7 assignments used, quality = 1.00: * HA ILE 76 + H ILE 76 OK 100 100 - 100 - 3.0=100 HA SER 9 - H ILE 76 OK 37 100 - 37 - 3409=6, 3418/4.0=5...(13) HA GLU 48 - H ILE 76 OK 21 100 - 21 - 3426/4.0=4, 3418/4.0=3...(10) HA MET 21 - H ILE 76 poor 10 70 - 14 - 3.6/6355=2, 4.4/7257=2...(5) HB THR 84 - H ILE 76 lone 6 87 - 7 - 4.7/10951=2 HA ALA 25 - H ILE 76 lone 6 77 - 8 - 3.0/6397=1 HA VAL 32 - H ILE 76 lone 6 70 - 8 - 7262/4.6=1 Peak 7254 from nnoeabs.peaks (1.64, 7.56, 115.96 ppm; 3.47 A): 3 out of 10 assignments used, quality = 0.91: * HB ILE 76 + H ILE 76 OK 86 100 - 86 - 4.0=68, 3.0/7256=20...(9) HD3 LYS 39 + H ILE 76 OK 24 100 - 24 - 3427/4.0=3, 1740/4.5=3...(10) HD2 LYS 39 + H ILE 76 OK 18 92 - 19 - 3.0/7257=3, 3427/4.0=3...(8) HG2 LYS 68 - H ILE 76 lone 9 100 - 9 - 3427/4.0=1, 3021/8772=1 HB3 LEU 6 - H ILE 76 lone 8 99 - 8 - 3427/4.0=2, 3411/3.0=1 HD3 LYS 68 - H ILE 76 lone 7 97 - 7 - HD2 LYS 68 - H ILE 76 lone 7 96 - 7 - HB2 LYS 40 - H ILE 76 lone 6 100 - 6 - 3427/4.0=1 HB3 ARG 79 - H ILE 76 lone 3 92 - 3 - HD2 LYS 94 - H ILE 76 lone 2 57 - 3 - Peak 7255 from nnoeabs.peaks (0.88, 7.56, 115.96 ppm; 3.58 A): 3 out of 5 assignments used, quality = 0.94: * QG2 ILE 76 + H ILE 76 OK 88 100 - 88 - 4.0=71, 3.2/7256=20...(9) HG13 ILE 7 + H ILE 76 OK 28 92 - 31 - 3420/4.0=5, 1.8/7257=4...(10) HG13 ILE 8 + H ILE 76 OK 28 99 - 28 - 2.1/9647=5, 3420/4.0=4...(9) QD1 LEU 2 - H ILE 76 OK 22 100 - 22 - 3420/4.0=4, 3452/4.7=4...(7) QD1 LEU 103 - H ILE 76 lone 1 61 - 2 - Peak 7256 from nnoeabs.peaks (1.09, 7.56, 115.96 ppm; 3.49 A): 2 out of 2 assignments used, quality = 0.83: * HG12 ILE 76 + H ILE 76 OK 77 100 - 77 - 4.5=45, 3.0/3417=15...(12) HG2 ARG 91 + H ILE 76 OK 26 90 - 29 - 3421/4.0=6, 3429/4.0=6...(7) Peak 7257 from nnoeabs.peaks (1.44, 7.56, 115.96 ppm; 3.57 A): 4 out of 9 assignments used, quality = 0.93: * HG13 ILE 76 + H ILE 76 OK 81 100 - 81 - 4.5=49, 1.8/7256=28...(8) HG2 LYS 13 + H ILE 76 OK 36 98 - 37 - 3.9/9650=5, 4.8/6182=5...(15) HG12 ILE 7 + H ILE 76 OK 27 87 - 31 - 1.8/7255=6, 3430/4.0=3...(11) HG3 LYS 39 + H ILE 76 OK 26 99 - 27 - 3.0/7254=4, 3422/4.0=3...(12) QB ALA 22 - H ILE 76 OK 23 100 - 23 - 2.1/9649=6, 4.5/9650=2...(10) HG LEU 29 - H ILE 76 OK 18 100 - 18 - 3441=3, 3445/4.5=2...(7) HG3 ARG 91 - H ILE 76 OK 17 73 - 23 - 1.8/7256=10, ~3413=3...(7) HG2 LYS 12 - H ILE 76 OK 14 94 - 15 - 3.7/9649=3, 4.7/6161=2 HB2 LEU 38 - H ILE 76 lone 5 61 - 8 - 1.8/9645=2, 4.6/7247=1 Peak 7258 from nnoeabs.peaks (0.80, 7.56, 115.96 ppm; 4.17 A): 2 out of 8 assignments used, quality = 0.96: * QD1 ILE 76 + H ILE 76 OK 92 100 - 92 - 4.7=69, 2.1/7256=32...(9) QG2 ILE 15 + H ILE 76 OK 43 94 - 46 - 4.0/6209=10, 2.1/8440=6...(13) QG2 ILE 7 - H ILE 76 OK 42 100 - 42 - 3431/4.0=6, 3.2/7255=6...(11) QD2 LEU 2 - H ILE 76 OK 29 96 - 30 - 2.1/7255=6, 82/4.0=5...(8) QG2 ILE 8 - H ILE 76 OK 26 81 - 32 - 3.0/9647=6, 3.1/7255=6...(10) QD2 LEU 70 - H ILE 76 OK 14 97 - 14 - 4.0/7248=2, 3167/3.5=2...(4) QD2 LEU 57 - H ILE 76 OK 12 99 - 12 - 3431/4.0=2, 3423/4.0=2...(4) QD1 LEU 70 - H ILE 76 OK 10 77 - 13 - 4.0/7248=2, 10812/4.6=1 Peak 7259 from nnoeabs.peaks (8.89, 7.56, 115.96 ppm; 4.70 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 77 + H ILE 76 OK 100 100 - 100 - 4.6=100 H ARG 19 - H ILE 76 OK 43 90 - 48 - 3432/4.0=10, 3424/4.0=10...(10) Peak 7260 from nnoeabs.peaks (8.89, 8.89, 126.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 77 + H ASP 77 OK 100 100 - 100 Peak 7261 from nnoeabs.peaks (7.56, 8.89, 126.14 ppm; 5.17 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 76 + H ASP 77 OK 100 100 - 100 - 4.6=100 H LEU 14 - H ASP 77 OK 32 96 - 34 - 3425/4.3=8, 3417/4.4=7...(9) H GLU 88 - H ASP 77 OK 16 90 - 18 - 3425/4.3=5, 3417/4.4=5...(5) H LYS 24 - H ASP 77 OK 11 84 - 13 - 3417/4.4=3, 3425/4.3=3...(4) Peak 7262 from nnoeabs.peaks (4.43, 8.89, 126.14 ppm; 3.17 A): 2 out of 7 assignments used, quality = 0.88: * HA ILE 76 + H ASP 77 OK 85 100 - 85 - 3.6=71, 3.0/3424=13...(10) HA SER 9 + H ASP 77 OK 21 100 - 21 - 3416=6, 3426/4.3=4...(7) HA GLU 48 - H ASP 77 lone 9 100 - 9 - 3426/4.3=3, 3418/4.4=2 HA VAL 32 - H ASP 77 poor 8 70 - 12 - ~11114=6, 9672/3.9=2 HB THR 84 - H ASP 77 lone 6 87 - 6 - 3.0/7268=2, 3766/3.0=1 HA MET 21 - H ASP 77 lone 4 70 - 5 - 3.0/6320=1 HA ALA 25 - H ASP 77 lone 2 77 - 2 - Peak 7263 from nnoeabs.peaks (1.64, 8.89, 126.14 ppm; 3.95 A): 3 out of 10 assignments used, quality = 0.95: * HB ILE 76 + H ASP 77 OK 93 100 - 93 - 4.4=70, 2.1/3432=25...(13) HD3 LYS 39 + H ASP 77 OK 16 100 - 16 - 3427/4.3=3, 7254/4.6=3...(5) HD2 LYS 39 + H ASP 77 OK 13 92 - 15 - 3427/4.3=3, 3.0/7266=3...(5) HB3 LEU 6 - H ASP 77 lone 10 99 - 10 - 3.1/10897=2, 3427/4.3=2...(4) HG2 LYS 68 - H ASP 77 lone 8 100 - 8 - 3427/4.3=1, 7254/4.6=1 HD3 LYS 68 - H ASP 77 lone 6 97 - 6 - 3427/4.3=1 HD2 LYS 68 - H ASP 77 lone 6 96 - 6 - 3427/4.3=1 HB2 LYS 40 - H ASP 77 lone 6 100 - 6 - 3427/4.3=1, 3411/3.6=1 HB3 ARG 79 - H ASP 77 lone 4 92 - 4 - 10899/4.6=1 HD2 LYS 94 - H ASP 77 lone 1 57 - 2 - Peak 7264 from nnoeabs.peaks (0.88, 8.89, 126.14 ppm; 3.73 A): 4 out of 5 assignments used, quality = 0.95: * QG2 ILE 76 + H ASP 77 OK 90 100 - 90 - 4.3=63, 2.1/3424=22...(13) HG13 ILE 7 + H ASP 77 OK 21 92 - 23 - 3420/4.4=4, 1.8/7266=3...(10) HG13 ILE 8 + H ASP 77 OK 21 99 - 21 - 3420/4.4=4, 2.1/10897=4...(8) QD1 LEU 2 + H ASP 77 OK 16 100 - 16 - 3420/4.4=4, 7255/4.6=2...(7) QD1 LEU 103 - H ASP 77 lone 2 61 - 3 - Peak 7265 from nnoeabs.peaks (1.09, 8.89, 126.14 ppm; 4.96 A): 2 out of 2 assignments used, quality = 0.93: * HG12 ILE 76 + H ASP 77 OK 90 100 - 90 - 3.0/3424=29, 3.2/3432=28...(10) HG2 ARG 91 + H ASP 77 OK 36 90 - 40 - 3429/4.3=11, 3421/4.4=11...(8) Peak 7266 from nnoeabs.peaks (1.44, 8.89, 126.14 ppm; 4.49 A): 3 out of 9 assignments used, quality = 0.93: * HG13 ILE 76 + H ASP 77 OK 86 100 - 86 - 3.0/3424=25, 3.2/3432=25...(11) HG12 ILE 7 + H ASP 77 OK 30 87 - 34 - 1.8/7264=7, 3430/4.3=5...(12) HG LEU 29 + H ASP 77 OK 29 100 - 28 - 2.1/8691=5, 3448=5...(10) HG3 LYS 39 - H ASP 77 OK 26 99 - 26 - 3430/4.3=4, 3422/4.4=4...(10) HG2 LYS 13 - H ASP 77 OK 19 98 - 19 - 527/4.6=7, 3430/4.3=2...(4) QB ALA 22 - H ASP 77 OK 17 100 - 17 - 7257/4.6=3, 3414/3.6=2...(4) HG3 ARG 91 - H ASP 77 OK 17 73 - 23 - 1.8/7265=9, 3430/4.3=3...(7) HB2 LEU 38 - H ASP 77 poor 8 61 - 12 - 9674/3.9=3, 9675/3.0=2...(4) HG2 LYS 12 - H ASP 77 lone 7 94 - 8 - 7257/4.6=2, 3430/4.3=1 Peak 7267 from nnoeabs.peaks (0.80, 8.89, 126.14 ppm; 4.88 A): 3 out of 8 assignments used, quality = 0.96: * QD1 ILE 76 + H ASP 77 OK 90 100 - 90 - 3.2/3432=27, 3.2/3424=27...(12) QG2 ILE 7 + H ASP 77 OK 39 100 - 39 - 3431/4.3=7, 3423/4.4=6...(11) QG2 ILE 15 + H ASP 77 OK 37 94 - 39 - 10415=13, 3.2/8434=8...(8) QG2 ILE 8 - H ASP 77 OK 25 81 - 31 - 3.0/10897=6, 3.1/7264=6...(8) QD2 LEU 2 - H ASP 77 OK 25 96 - 26 - 82/4.3=6, 2.1/7264=5...(7) QD2 LEU 57 - H ASP 77 OK 12 99 - 12 - 3431/4.3=2, 3423/4.4=2...(4) QD2 LEU 70 - H ASP 77 lone 8 97 - 8 - 7258/4.6=1, 3423/4.4=1 QD1 LEU 70 - H ASP 77 lone 5 77 - 6 - 7258/4.6=1 Peak 7268 from nnoeabs.peaks (4.57, 8.89, 126.14 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 77 + H ASP 77 OK 100 100 - 100 - 3.0=100 HA THR 84 - H ASP 77 OK 11 92 - 12 - 3463/3.9=2, 3468/3.9=2...(5) Peak 7269 from nnoeabs.peaks (3.21, 8.89, 126.14 ppm; 3.48 A): 1 out of 3 assignments used, quality = 0.84: * HB2 ASP 77 + H ASP 77 OK 84 100 - 84 - 3.9=70, 1.8/3467=26...(6) HD3 ARG 46 - H ASP 77 poor 10 77 - 13 - 9657/4.4=4, 9652/4.3=4...(4) HB3 TRP 92 - H ASP 77 lone 4 84 - 5 - Peak 7270 from nnoeabs.peaks (2.63, 8.89, 126.14 ppm; 3.47 A): 3 out of 4 assignments used, quality = 0.89: * HB3 ASP 77 + H ASP 77 OK 84 100 - 84 - 3.9=70, 1.8/7269=31...(6) HB3 ASP 65 + H ASP 77 OK 20 98 - 21 - 3467=8, 3460/3.0=5...(6) HG3 MET 74 + H ASP 77 OK 10 87 - 12 - 4.8/7271=3, 7276/4.6=3...(5) HB3 TYR 41 - H ASP 77 lone 4 100 - 4 - Peak 7271 from nnoeabs.peaks (7.75, 8.89, 126.14 ppm; 5.16 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 78 + H ASP 77 OK 100 100 - 100 - 4.6=100 H MET 74 - H ASP 77 OK 43 96 - 45 - 9643/4.6=13, 9626/4.3=9...(9) H GLU 37 - H ASP 77 OK 16 84 - 19 - 9643/4.6=7, 9626/4.3=5...(6) Peak 7272 from nnoeabs.peaks (7.75, 7.75, 122.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 78 + H VAL 78 OK 100 100 - 100 Peak 7273 from nnoeabs.peaks (8.89, 7.75, 122.84 ppm; 4.46 A): 1 out of 2 assignments used, quality = 0.97: * H ASP 77 + H VAL 78 OK 97 100 - 97 - 4.6=90, 3.0/7274=44...(7) H ARG 19 - H VAL 78 OK 19 90 - 21 - 3457/3.6=4, 8499/4.6=4...(6) Peak 7274 from nnoeabs.peaks (4.57, 7.75, 122.84 ppm; 2.70 A): 1 out of 2 assignments used, quality = 0.63: * HA ASP 77 + H VAL 78 OK 63 100 - 63 - 3.6=43, 3.0/7275=9...(7) HA THR 84 - H VAL 78 lone 3 92 - 3 - Peak 7275 from nnoeabs.peaks (3.21, 7.75, 122.84 ppm; 4.37 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASP 77 + H VAL 78 OK 100 100 - 100 - 4.4=98, 3.0/7274=43...(7) HD3 ARG 46 - H VAL 78 OK 11 77 - 14 - 7269/4.6=3, 3.0/7278=3...(7) HB3 TRP 92 - H VAL 78 lone 5 84 - 6 - 3459/3.6=1, 7269/4.6=1 Peak 7276 from nnoeabs.peaks (2.63, 7.75, 122.84 ppm; 4.04 A): 2 out of 4 assignments used, quality = 0.95: * HB3 ASP 77 + H VAL 78 OK 93 100 - 93 - 4.4=78, 3.0/7274=39...(8) HG3 MET 74 + H VAL 78 OK 29 87 - 33 - 3358=6, 1.8/3350=6...(10) HB3 ASP 65 - H VAL 78 OK 22 98 - 22 - 3471=6, 3460/3.6=5...(4) HB3 TYR 41 - H VAL 78 lone 5 100 - 5 - 3460/3.6=1 Peak 7277 from nnoeabs.peaks (5.19, 7.75, 122.84 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 78 + H VAL 78 OK 100 100 - 100 - 3.0=100 Peak 7278 from nnoeabs.peaks (1.78, 7.75, 122.84 ppm; 3.39 A): 2 out of 7 assignments used, quality = 0.90: * HB VAL 78 + H VAL 78 OK 88 100 - 88 - 3.8=69, 2.1/3490=24...(9) HB ILE 56 + H VAL 78 OK 12 70 - 18 - 3474/3.0=4, 2.9/7279=3...(8) HG3 ARG 46 - H VAL 78 lone 9 97 - 9 - 3.0/7275=2, 3474/3.0=2 HB3 LYS 82 - H VAL 78 poor 8 73 - 11 - 3474/3.0=3, 3492/4.0=3...(4) HB3 GLU 63 - H VAL 78 lone 7 100 - 7 - 3474/3.0=2, 3492/4.0=1 HB2 LYS 66 - H VAL 78 lone 5 81 - 6 - 3474/3.0=1, 3492/4.0=1 HB2 LYS 39 - H VAL 78 lone 5 65 - 7 - 3.0/9683=1, 3474/3.0=1 Peak 7279 from nnoeabs.peaks (0.72, 7.75, 122.84 ppm; 2.94 A): 3 out of 9 assignments used, quality = 0.81: * QG2 VAL 78 + H VAL 78 OK 75 100 - 75 - 4.0=40, 2.1/3490=18...(10) QG1 VAL 5 + H VAL 78 OK 16 99 - 16 - 3485/3.0=3, 3484=3...(6) HG13 ILE 56 + H VAL 78 OK 14 97 - 14 - 3475/3.0=3, 7286/4.6=2...(7) QD1 ILE 56 - H VAL 78 poor 10 81 - 12 - 3475/3.0=2, 3.2/7278=2...(7) QG1 VAL 58 - H VAL 78 lone 7 100 - 7 - 10225/3.8=2, 3475/3.0=1 QD1 ILE 8 - H VAL 78 lone 6 87 - 7 - 2.1/10898=1, 3.2/9684=1 QD2 LEU 27 - H VAL 78 lone 5 96 - 5 - 7286/4.6=1 QD2 LEU 14 - H VAL 78 lone 4 84 - 5 - HG3 ARG 81 - H VAL 78 lone 2 65 - 2 - Peak 7280 from nnoeabs.peaks (0.74, 7.75, 122.84 ppm; 3.03 A): 3 out of 10 assignments used, quality = 0.85: * QG1 VAL 78 + H VAL 78 OK 78 100 - 78 - 4.0=44, 3491/3.0=24...(9) QG1 VAL 54 + H VAL 78 OK 23 73 - 31 - ~11103=9, ~10348=5...(8) QD1 LEU 64 + H VAL 78 OK 15 99 - 15 - 3476/3.0=3, 3482/3.8=3...(6) HG3 ARG 81 - H VAL 78 lone 4 98 - 4 - 7287/4.6=1 QG1 VAL 5 - H VAL 78 lone 4 61 - 6 - 3475/3.0=1, 8181/3.6=1 HG13 ILE 15 - H VAL 78 lone 4 94 - 4 - QG2 ILE 93 - H VAL 78 lone 3 99 - 3 - HG13 ILE 93 - H VAL 78 lone 3 100 - 3 - QD2 LEU 27 - H VAL 78 lone 3 73 - 4 - QD1 ILE 15 - H VAL 78 lone 2 81 - 3 - Peak 7281 from nnoeabs.peaks (8.50, 7.75, 122.84 ppm; 4.42 A): 2 out of 6 assignments used, quality = 0.99: * H ARG 79 + H VAL 78 OK 98 100 - 98 - 4.6=89, 7284/3.0=44...(10) H VAL 54 + H VAL 78 OK 70 94 - 74 - 11101/3.0=35...(11) H VAL 32 - H VAL 78 OK 12 61 - 19 - 11114/3.6=9, 4.6/8744=3...(4) H LEU 2 - H VAL 78 OK 10 92 - 11 - 4.7/10898=2, 3483/3.8=1...(6) H THR 31 - H VAL 78 lone 9 100 - 9 - 3477/3.0=2, 3483/3.8=2...(4) H ALA 67 - H VAL 78 poor 7 61 - 11 - 3495/4.0=2, 3483/3.8=2...(5) Peak 7282 from nnoeabs.peaks (8.50, 8.50, 125.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 79 + H ARG 79 OK 100 100 - 100 Peak 7283 from nnoeabs.peaks (7.75, 8.50, 125.64 ppm; 4.80 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 78 + H ARG 79 OK 100 100 - 100 - 4.6=100 H MET 74 - H ARG 79 OK 28 96 - 30 - 3472/3.6=7, 3490/4.3=6...(8) H GLU 37 - H ARG 79 OK 11 84 - 13 - 3472/3.6=3, 3490/4.3=2...(4) Peak 7284 from nnoeabs.peaks (5.19, 8.50, 125.64 ppm; 2.97 A): 1 out of 1 assignment used, quality = 0.77: * HA VAL 78 + H ARG 79 OK 77 100 - 77 - 3.6=58, 3491/4.3=14...(13) Peak 7285 from nnoeabs.peaks (1.78, 8.50, 125.64 ppm; 3.63 A): 3 out of 7 assignments used, quality = 0.92: * HB VAL 78 + H ARG 79 OK 86 100 - 86 - 4.4=56, 3.0/7284=33...(10) HB ILE 56 + H ARG 79 OK 29 70 - 42 - 3.8/9697=13, 2.1/9309=6...(13) HB3 LYS 82 + H ARG 79 OK 23 73 - 32 - 3.0/7288=7, ~3649=5...(9) HB3 GLU 63 - H ARG 79 lone 9 100 - 9 - 3474/3.6=2, 3492/4.3=1...(4) HB2 LYS 66 - H ARG 79 poor 8 81 - 10 - 3474/3.6=1, 3492/4.3=1 HG3 ARG 46 - H ARG 79 lone 7 97 - 7 - 3474/3.6=2, 7278/4.6=1 HB2 LYS 39 - H ARG 79 lone 4 65 - 6 - Peak 7286 from nnoeabs.peaks (0.72, 8.50, 125.64 ppm; 3.21 A): 6 out of 9 assignments used, quality = 0.94: * QG2 VAL 78 + H ARG 79 OK 77 100 - 77 - 4.3=43, 3.2/7284=25...(11) HG13 ILE 56 + H ARG 79 OK 34 97 - 35 - 4.9/9697=7, 3.2/9309=4...(15) QD1 ILE 56 + H ARG 79 OK 25 81 - 31 - 5.0/9697=7, 3.0/9309=4...(14) QG1 VAL 5 + H ARG 79 OK 21 99 - 21 - 3485/3.6=3, 3489=3...(6) QD2 LEU 27 + H ARG 79 OK 20 96 - 21 - 4.0/11118=7, 2.1/7289=3...(6) QG1 VAL 58 + H ARG 79 OK 14 100 - 14 - 10223/9707=3, ~10228=2...(4) HG3 ARG 81 - H ARG 79 poor 9 65 - 14 - 1.8/9692=9, 10909/4.1=1 QD1 ILE 8 - H ARG 79 lone 7 87 - 8 - 3475/3.6=1 QD2 LEU 14 - H ARG 79 lone 6 84 - 8 - 10403/9707=2 Peak 7287 from nnoeabs.peaks (0.74, 8.50, 125.64 ppm; 3.25 A): 5 out of 10 assignments used, quality = 0.91: * QG1 VAL 78 + H ARG 79 OK 78 100 - 78 - 4.3=45, 3.2/7284=26...(9) QD1 LEU 64 + H ARG 79 OK 26 99 - 26 - 10754/4.6=5, 9486/3.0=4...(9) QG1 VAL 54 + H ARG 79 OK 22 73 - 30 - 2.1/2487=6, 3476/3.6=5...(10) HG3 ARG 81 + H ARG 79 OK 19 98 - 19 - 1.8/9692=9, 9715/4.6=4 QD2 LEU 27 + H ARG 79 OK 13 73 - 17 - 4.0/11118=7, 2.1/7289=3...(5) QG1 VAL 5 - H ARG 79 lone 6 61 - 10 - 3475/3.6=1 HG13 ILE 93 - H ARG 79 lone 5 100 - 5 - QG2 ILE 93 - H ARG 79 lone 4 99 - 4 - HG13 ILE 15 - H ARG 79 lone 4 94 - 4 - QD1 ILE 15 - H ARG 79 lone 2 81 - 3 - Peak 7288 from nnoeabs.peaks (4.71, 8.50, 125.64 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 79 + H ARG 79 OK 100 100 - 100 - 3.0=100 HA LYS 82 - H ARG 79 OK 39 90 - 43 - 10901/4.3=7, 10900/4.3=6...(15) Peak 7289 from nnoeabs.peaks (1.60, 8.50, 125.64 ppm; 3.79 A): 2 out of 13 assignments used, quality = 0.97: * HB2 ARG 79 + H ARG 79 OK 93 100 - 93 - 4.1=81, 1.8/7290=16...(17) HB2 ARG 30 + H ARG 79 OK 56 100 - 57 - 1328=10, 1.8/1337=7...(19) HG LEU 27 - H ARG 79 OK 24 100 - 24 - 4.3/11118=9, 2.1/7286=4...(6) HB3 LEU 29 - H ARG 79 OK 16 99 - 16 - 4.3/6489=4, 3.1/12050=3...(4) HG3 LYS 73 - H ARG 79 lone 9 100 - 9 - 3281/4.6=2 HD2 LYS 66 - H ARG 79 lone 7 100 - 7 - 3.6/7285=1 HD3 LYS 94 - H ARG 79 lone 5 100 - 5 - HB2 LEU 103 - H ARG 79 lone 5 77 - 7 - HG2 ARG 19 - H ARG 79 lone 4 77 - 6 - 4.9/8499=3 HG3 LYS 12 - H ARG 79 lone 4 98 - 4 - HG LEU 103 - H ARG 79 lone 3 65 - 5 - HG3 LYS 90 - H ARG 79 lone 2 73 - 3 - HG2 LYS 24 - H ARG 79 lone 1 81 - 2 - Peak 7290 from nnoeabs.peaks (1.65, 8.50, 125.64 ppm; 3.82 A): 1 out of 12 assignments used, quality = 0.93: * HB3 ARG 79 + H ARG 79 OK 93 100 - 93 - 4.1=82, 1.8/7289=15...(17) HB ILE 76 - H ARG 79 OK 24 92 - 27 - 2.1/9628=7, 10289/4.3=3...(7) HB3 LEU 6 - H ARG 79 OK 20 98 - 20 - 3508/4.1=4, 8236/9309=2...(7) HD3 LYS 68 - H ARG 79 OK 14 100 - 14 - 10289/4.3=3, 10291/4.3=2...(5) HD2 LYS 68 - H ARG 79 OK 14 100 - 14 - 10289/4.3=3, 10291/4.3=2...(5) HG2 LYS 68 - H ARG 79 OK 14 87 - 16 - 10289/4.3=3, 10291/4.3=2...(5) HD2 LYS 39 - H ARG 79 lone 9 100 - 9 - 10289/4.3=2, 10899/4.6=1 HD3 LYS 39 - H ARG 79 lone 8 84 - 10 - 10289/4.3=2, 10291/4.3=1 HB ILE 52 - H ARG 79 lone 7 73 - 9 - 3.0/11126=3, 7300/4.6=2 HD3 LYS 73 - H ARG 79 lone 7 90 - 7 - 3508/4.1=1, 10899/4.6=1 HD2 LYS 73 - H ARG 79 lone 6 84 - 7 - 3.0/7289=1, 3508/4.1=1 HB2 LYS 40 - H ARG 79 lone 4 96 - 4 - Peak 7291 from nnoeabs.peaks (1.53, 8.50, 125.64 ppm; 3.71 A): 4 out of 12 assignments used, quality = 0.99: HG3 ARG 79 + H ARG 79 OK 86 100 - 86 - 4.7=51, 3.0/7290=12...(22) * HG2 ARG 79 + H ARG 79 OK 86 100 - 86 - 4.7=51, 3.0/7290=12...(22) HG3 ARG 30 + H ARG 79 OK 50 99 - 50 - 2.9/7289=7, 2.9/1337=6...(17) HG12 ILE 56 + H ARG 79 OK 46 100 - 46 - 4.9/9697=10, 1.8/7286=7...(16) HG LEU 6 - H ARG 79 OK 16 94 - 17 - 3.0/7290=2, 3518/4.1=2...(6) HG LEU 2 - H ARG 79 OK 13 61 - 22 - 2.1/84=4, 3.0/60=3...(6) HD3 LYS 53 - H ARG 79 OK 13 65 - 19 - 1.8/2447=3, 3.6/2403=3...(9) HB2 LEU 14 - H ARG 79 lone 9 87 - 10 - 7302/4.6=1 HB ILE 7 - H ARG 79 lone 7 87 - 8 - HB2 LEU 3 - H ARG 79 poor 7 61 - 11 - 4.0/6017=2, 9689/3.6=1...(4) HB3 LEU 103 - H ARG 79 lone 6 90 - 7 - HG2 LYS 33 - H ARG 79 lone 4 81 - 4 - 9686/4.4=2 Peak 7292 from nnoeabs.peaks (1.53, 8.50, 125.64 ppm; 3.71 A): 4 out of 11 assignments used, quality = 0.99: * HG3 ARG 79 + H ARG 79 OK 86 100 - 86 - 4.7=51, 3.0/7290=12...(22) HG2 ARG 79 + H ARG 79 OK 86 100 - 86 - 4.7=51, 3.0/7290=12...(22) HG3 ARG 30 + H ARG 79 OK 49 99 - 50 - 2.9/7289=7, 2.9/1337=6...(17) HG12 ILE 56 + H ARG 79 OK 46 99 - 46 - 4.9/9697=10, 1.8/7286=7...(16) HG LEU 6 - H ARG 79 OK 16 92 - 17 - 3.0/7290=2, 3518/4.1=2...(5) HD3 LYS 53 - H ARG 79 OK 13 70 - 19 - 1.8/2447=3, 3.6/2403=3...(9) HB2 LEU 14 - H ARG 79 lone 8 84 - 10 - 7302/4.6=1 HB2 LEU 3 - H ARG 79 poor 7 65 - 11 - 4.0/6017=2, 8080/11118=1...(4) HB ILE 7 - H ARG 79 lone 7 84 - 8 - HB3 LEU 103 - H ARG 79 lone 6 87 - 7 - HG2 LYS 33 - H ARG 79 lone 4 84 - 4 - 9686/4.4=2 Peak 7293 from nnoeabs.peaks (3.07, 8.50, 125.64 ppm; 3.97 A): 3 out of 7 assignments used, quality = 0.99: * HD2 ARG 79 + H ARG 79 OK 83 100 - 83 - 5.8=31, 3542/3.0=13...(22) HD3 ARG 79 + H ARG 79 OK 83 100 - 83 - 5.8=31, 3551/3.0=13...(22) HD3 ARG 30 + H ARG 79 OK 47 87 - 54 - 1.8/1364=7, 3.6/1328=7...(18) HB3 ASN 26 - H ARG 79 lone 7 99 - 7 - HB3 ASN 60 - H ARG 79 lone 5 84 - 6 - 9438/4.6=2, 3502/3.0=1 HB3 HIS 105 - H ARG 79 lone 2 97 - 2 - HB3 HIS 106 - H ARG 79 lone 1 65 - 1 - Peak 7294 from nnoeabs.peaks (3.07, 8.50, 125.64 ppm; 3.97 A): 3 out of 6 assignments used, quality = 0.99: * HD3 ARG 79 + H ARG 79 OK 83 100 - 83 - 5.8=31, 3551/3.0=13...(23) HD2 ARG 79 + H ARG 79 OK 83 100 - 83 - 5.8=31, 3551/3.0=13...(22) HD3 ARG 30 + H ARG 79 OK 50 92 - 55 - 1.8/1364=7, 1373=7...(18) HB3 ASN 26 - H ARG 79 lone 7 97 - 7 - HB3 ASN 60 - H ARG 79 lone 4 77 - 5 - 9438/4.6=2, 3502/3.0=1 HB3 HIS 105 - H ARG 79 lone 2 94 - 2 - Peak 7295 from nnoeabs.peaks (8.42, 8.50, 125.64 ppm; 5.11 A): 1 out of 2 assignments used, quality = 1.00: * H THR 80 + H ARG 79 OK 100 100 - 100 - 4.6=100 H GLU 62 - H ARG 79 OK 31 90 - 35 - 3504/3.0=8, 3522/4.1=7...(9) Peak 7296 from nnoeabs.peaks (8.42, 8.42, 118.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 80 + H THR 80 OK 100 100 - 100 Peak 7297 from nnoeabs.peaks (8.50, 8.42, 118.08 ppm; 4.02 A): 4 out of 6 assignments used, quality = 0.95: * H ARG 79 + H THR 80 OK 89 100 - 89 - 4.6=65, 3.0/7298=32...(15) H THR 31 + H THR 80 OK 30 100 - 30 - 4.7/10919=10, 3505/4.6=4...(7) H LEU 2 + H THR 80 OK 23 92 - 24 - 8044/2.9=9, 9707/4.0=5...(7) H VAL 54 + H THR 80 OK 10 94 - 11 - 9707/4.0=2, 3514/4.6=2...(4) H ALA 67 - H THR 80 lone 5 61 - 8 - 9518/4.0=5 H VAL 32 - H THR 80 lone 2 61 - 4 - Peak 7298 from nnoeabs.peaks (4.71, 8.42, 118.08 ppm; 2.80 A): 2 out of 2 assignments used, quality = 0.73: * HA ARG 79 + H THR 80 OK 68 100 - 68 - 3.6=48, 3.0/7297=8...(11) HA LYS 82 + H THR 80 OK 18 90 - 20 - 9711/4.0=4, 9740/4.6=4...(6) Peak 7299 from nnoeabs.peaks (1.60, 8.42, 118.08 ppm; 3.86 A): 2 out of 13 assignments used, quality = 0.92: * HB2 ARG 79 + H THR 80 OK 87 100 - 87 - 4.6=60, 3.0/7298=30...(12) HB2 ARG 30 + H THR 80 OK 35 100 - 35 - 1.8/10919=13, 1328/4.6=5...(7) HG LEU 27 - H THR 80 poor 10 100 - 10 - 3516/4.6=2, 7289/4.6=2...(4) HD3 LYS 94 - H THR 80 lone 6 100 - 6 - 3.0/10919=2, 4246/10919=1 HB3 LEU 29 - H THR 80 lone 5 99 - 5 - 7289/4.6=1 HG3 LYS 73 - H THR 80 lone 5 100 - 4 - HG3 LYS 90 - H THR 80 lone 4 73 - 6 - 4.0/7306=2, 3958/4.0=1 HB2 LEU 103 - H THR 80 lone 4 77 - 5 - HD2 LYS 66 - H THR 80 lone 3 100 - 3 - HG LEU 103 - H THR 80 lone 2 65 - 4 - HG2 ARG 19 - H THR 80 lone 2 77 - 3 - ~10293=1 HG3 LYS 12 - H THR 80 lone 2 98 - 2 - HG2 LYS 24 - H THR 80 lone 1 81 - 2 - Peak 7300 from nnoeabs.peaks (1.65, 8.42, 118.08 ppm; 3.70 A): 6 out of 12 assignments used, quality = 0.93: * HB3 ARG 79 + H THR 80 OK 83 100 - 83 - 4.6=53, 3.0/7298=28...(10) HB ILE 52 + H THR 80 OK 22 73 - 30 - 3.0/7305=8, 2343/2.9=5...(8) HG2 LYS 68 + H THR 80 OK 18 87 - 20 - 10256/4.0=9, 10788/4.0=8 HD2 LYS 68 + H THR 80 OK 14 100 - 14 - 10261/4.0=4, 12322/4.0=4 HD3 LYS 68 + H THR 80 OK 14 100 - 14 - 10261/4.0=4, 12322/4.0=4 HB3 LEU 6 + H THR 80 OK 11 98 - 11 - 3508/4.6=3, 7290/4.6=2...(4) HD2 LYS 39 - H THR 80 lone 7 100 - 7 - 10261/4.0=2, 12322/4.0=2 HB ILE 76 - H THR 80 lone 5 92 - 6 - 7290/4.6=2 HD3 LYS 39 - H THR 80 lone 5 84 - 6 - 9720/4.0=1, 9730/4.0=1 HD3 LYS 73 - H THR 80 lone 3 90 - 4 - HB2 LYS 40 - H THR 80 lone 3 96 - 3 - HD2 LYS 73 - H THR 80 lone 3 84 - 4 - Peak 7301 from nnoeabs.peaks (1.53, 8.42, 118.08 ppm; 3.74 A): 4 out of 12 assignments used, quality = 0.96: * HG2 ARG 79 + H THR 80 OK 67 100 - 67 - 4.1/7298=21, 3.0/7299=14...(13) HG3 ARG 79 + H THR 80 OK 67 100 - 67 - 4.1/7298=21, 3.0/7299=14...(13) HG12 ILE 56 + H THR 80 OK 43 100 - 43 - ~9302=8, ~9307=7...(13) HG3 ARG 30 + H THR 80 OK 35 99 - 35 - 2.9/10919=11, 2.9/7299=6...(9) HB2 LEU 14 - H THR 80 OK 18 87 - 21 - 3.0/7306=5, 12206/4.0=5...(6) HG LEU 2 - H THR 80 OK 13 61 - 21 - ~8047=4, ~8046=4...(10) HG LEU 6 - H THR 80 OK 12 94 - 13 - 3518/4.6=2, 3.0/7300=2...(6) HB2 LEU 3 - H THR 80 poor 10 61 - 16 - ~8102=4, ~8104=3...(5) HB ILE 7 - H THR 80 lone 7 87 - 8 - 12206/4.0=2, 595/4.0=1 HB3 LEU 103 - H THR 80 lone 6 90 - 7 - 12206/4.0=1 HD3 LYS 53 - H THR 80 lone 2 65 - 3 - HG2 LYS 33 - H THR 80 lone 1 81 - 1 - Peak 7302 from nnoeabs.peaks (1.53, 8.42, 118.08 ppm; 3.74 A): 4 out of 11 assignments used, quality = 0.96: HG2 ARG 79 + H THR 80 OK 67 100 - 67 - 4.1/7298=21, 3.0/7299=14...(13) * HG3 ARG 79 + H THR 80 OK 67 100 - 67 - 4.1/7298=21, 3.0/7299=14...(13) HG12 ILE 56 + H THR 80 OK 43 99 - 43 - ~9302=8, ~9307=7...(13) HG3 ARG 30 + H THR 80 OK 35 99 - 35 - 2.9/10919=11, 2.9/7299=6...(9) HB2 LEU 14 - H THR 80 OK 17 84 - 21 - 3.0/7306=5, 12206/4.0=5...(6) HG LEU 6 - H THR 80 OK 12 92 - 13 - 3518/4.6=2, 3.0/7300=2...(6) HB2 LEU 3 - H THR 80 OK 11 65 - 16 - ~8102=4, ~8104=3...(5) HB ILE 7 - H THR 80 lone 7 84 - 8 - 12206/4.0=2 HB3 LEU 103 - H THR 80 lone 6 87 - 7 - 12206/4.0=1 HD3 LYS 53 - H THR 80 lone 2 70 - 3 - 2458/4.6=1 HG2 LYS 33 - H THR 80 lone 1 84 - 1 - Peak 7303 from nnoeabs.peaks (3.07, 8.42, 118.08 ppm; 4.74 A): 3 out of 7 assignments used, quality = 0.97: * HD2 ARG 79 + H THR 80 OK 76 100 - 76 - 5.3/7298=22, 3.8/7299=18...(12) HD3 ARG 79 + H THR 80 OK 76 100 - 76 - 5.3/7298=22, 3.8/7299=18...(12) HD3 ARG 30 + H THR 80 OK 41 87 - 47 - 3.6/10919=17, 3.6/7299=7...(8) HB3 ASN 60 - H THR 80 OK 19 84 - 22 - 1.8/9437=5, 4.4/6999=4...(7) HB3 ASN 26 - H THR 80 lone 9 99 - 9 - 3511/4.6=1, 12214/9716=1 HB3 HIS 105 - H THR 80 lone 2 97 - 2 - HB3 HIS 106 - H THR 80 lone 1 65 - 2 - Peak 7304 from nnoeabs.peaks (3.07, 8.42, 118.08 ppm; 4.74 A): 3 out of 6 assignments used, quality = 0.97: * HD3 ARG 79 + H THR 80 OK 76 100 - 76 - 5.3/7298=22, 3.8/7299=18...(12) HD2 ARG 79 + H THR 80 OK 76 100 - 76 - 5.3/7298=22, 3.8/7299=18...(12) HD3 ARG 30 + H THR 80 OK 44 92 - 48 - 3.6/10919=17, 3.6/7299=7...(9) HB3 ASN 60 - H THR 80 OK 17 77 - 21 - 1.8/9437=5, 4.4/6999=4...(7) HB3 ASN 26 - H THR 80 lone 9 97 - 9 - 12214/9716=1, 3511/4.6=1 HB3 HIS 105 - H THR 80 lone 2 94 - 2 - Peak 7305 from nnoeabs.peaks (5.33, 8.42, 118.08 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 80 + H THR 80 OK 100 100 - 100 - 2.9=100 HA ILE 52 - H THR 80 OK 40 98 - 41 - 3570/4.0=7, 3559=6...(13) Peak 7306 from nnoeabs.peaks (3.68, 8.42, 118.08 ppm; 3.45 A): 2 out of 3 assignments used, quality = 0.82: * HB THR 80 + H THR 80 OK 78 100 - 78 - 4.0=62, 2.1/7307=22...(7) HA LEU 14 + H THR 80 OK 16 100 - 16 - 3571/4.0=6, 3561/2.9=4...(4) HA LYS 90 - H THR 80 lone 7 92 - 8 - 3571/4.0=3, 3561/2.9=2 Peak 7307 from nnoeabs.peaks (0.98, 8.42, 118.08 ppm; 3.63 A): 3 out of 3 assignments used, quality = 0.94: * QG2 THR 80 + H THR 80 OK 90 100 - 90 - 4.0=75, 2.1/7306=28...(12) HG LEU 55 + H THR 80 OK 23 73 - 31 - ~9258=9, 2.1/9716=8...(6) QG2 VAL 83 + H THR 80 OK 15 70 - 22 - 4.0/11119=6, 9787/4.6=6...(5) Peak 7308 from nnoeabs.peaks (8.76, 8.42, 118.08 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.99: * H ARG 81 + H THR 80 OK 99 100 - 99 - 4.6=91, 3563/2.9=36...(15) Peak 7309 from nnoeabs.peaks (8.76, 8.76, 122.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 81 + H ARG 81 OK 100 100 - 100 Peak 7310 from nnoeabs.peaks (8.42, 8.76, 122.84 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * H THR 80 + H ARG 81 OK 100 100 - 100 - 4.6=100 H GLU 62 - H ARG 81 OK 27 90 - 30 - 3569/4.2=6, 3.6/7314=6...(9) Peak 7311 from nnoeabs.peaks (5.33, 8.76, 122.84 ppm; 2.84 A): 2 out of 2 assignments used, quality = 0.83: * HA THR 80 + H ARG 81 OK 76 100 - 76 - 3.6=50, 3.2/3573=16...(13) HA ILE 52 + H ARG 81 OK 28 98 - 29 - 3563=7, 3570/4.2=4...(12) Peak 7312 from nnoeabs.peaks (3.68, 8.76, 122.84 ppm; 3.88 A): 1 out of 3 assignments used, quality = 0.94: * HB THR 80 + H ARG 81 OK 94 100 - 94 - 4.4=68, 2.1/3573=38...(19) HA LEU 14 - H ARG 81 OK 25 100 - 26 - 3571/4.2=7, 3561/3.6=5...(8) HA LYS 90 - H ARG 81 OK 11 92 - 12 - 3571/4.2=3, 3561/3.6=3...(4) Peak 7313 from nnoeabs.peaks (0.98, 8.76, 122.84 ppm; 3.32 A): 3 out of 3 assignments used, quality = 0.93: * QG2 THR 80 + H ARG 81 OK 86 100 - 86 - 4.2=50, 2.1/3568=26...(19) HG LEU 55 + H ARG 81 OK 34 73 - 47 - 2.1/9280=19, 4.7/11127=8...(12) QG2 VAL 83 + H ARG 81 OK 22 70 - 31 - 9787=6, 4.0/9753=5...(13) Peak 7314 from nnoeabs.peaks (4.36, 8.76, 122.84 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 81 + H ARG 81 OK 100 100 - 100 - 3.0=100 HA ASN 26 - H ARG 81 OK 35 99 - 35 - 9712/4.2=8, 3584/4.0=4...(13) HA ASP 61 - H ARG 81 OK 30 100 - 30 - 3.6/7310=4, 3593/4.0=3...(13) HA SER 102 - H ARG 81 lone 6 65 - 9 - 3584/4.0=2, 3593/4.0=1...(4) Peak 7315 from nnoeabs.peaks (0.93, 8.76, 122.84 ppm; 3.51 A): 2 out of 2 assignments used, quality = 0.94: * HB2 ARG 81 + H ARG 81 OK 92 100 - 92 - 4.0=68, 1.8/7316=18...(16) QG2 VAL 5 + H ARG 81 OK 30 81 - 37 - 3576/3.0=7, 3594/4.0=6...(12) Peak 7316 from nnoeabs.peaks (1.06, 8.76, 122.84 ppm; 3.76 A): 2 out of 3 assignments used, quality = 0.99: * HB3 ARG 81 + H ARG 81 OK 97 100 - 97 - 4.0=83, 1.8/7315=30...(17) HG2 LYS 82 + H ARG 81 OK 60 99 - 61 - 3577/3.0=10...(18) HG12 ILE 52 - H ARG 81 OK 19 73 - 26 - 3.8/7311=8, 2359/3.6=4...(9) Peak 7317 from nnoeabs.peaks (0.43, 8.76, 122.84 ppm; 3.85 A): 2 out of 2 assignments used, quality = 0.99: * HG2 ARG 81 + H ARG 81 OK 94 100 - 94 - 4.9=48, 1.8/3610=25...(23) QD1 LEU 55 + H ARG 81 OK 78 96 - 81 - 9280=29, 9258/3.6=14...(21) Peak 7318 from nnoeabs.peaks (0.74, 8.76, 122.84 ppm; 3.58 A): 2 out of 10 assignments used, quality = 0.96: * HG3 ARG 81 + H ARG 81 OK 88 100 - 88 - 4.9=39, 2.9/7315=21...(18) QD1 LEU 64 + H ARG 81 OK 70 100 - 71 - 10762/4.2=16...(17) QG1 VAL 5 - H ARG 81 OK 27 84 - 32 - 2.1/7315=8, ~3576=4...(13) QG1 VAL 58 - H ARG 81 OK 23 61 - 37 - 4.0/10712=17...(7) HG13 ILE 93 - H ARG 81 OK 22 99 - 22 - 10018/4.0=8, 3579/3.0=3...(8) QG2 ILE 93 - H ARG 81 OK 19 90 - 21 - 10322/4.0=8, 3579/3.0=3...(8) QG1 VAL 78 - H ARG 81 OK 17 98 - 17 - 9715/4.6=3, 7328/4.7=2...(7) QD2 LEU 27 - H ARG 81 OK 13 92 - 14 - 3579/3.0=2, 3.1/9738=2...(6) HG13 ILE 15 - H ARG 81 OK 11 77 - 14 - 2.9/7319=3, ~3580=2...(6) QG2 VAL 78 - H ARG 81 poor 9 65 - 14 - 8179/3.6=3, 2.1/10921=2...(4) Peak 7319 from nnoeabs.peaks (1.73, 8.76, 122.84 ppm; 4.14 A): 2 out of 7 assignments used, quality = 0.94: * HD2 ARG 81 + H ARG 81 OK 92 100 - 92 - 6.2=30, 1.8/3628=30...(14) HB ILE 15 + H ARG 81 OK 26 99 - 26 - 3580/3.0=5, 7329/4.7=4...(9) HD3 LYS 33 - H ARG 81 OK 22 100 - 22 - 3580/3.0=4, 3589/4.0=3...(9) HD2 LYS 33 - H ARG 81 OK 22 100 - 22 - 3580/3.0=4, 3589/4.0=3...(9) HB3 LEU 70 - H ARG 81 OK 14 92 - 15 - 3580/3.0=3, 3.1/9736=2...(7) HD2 LYS 90 - H ARG 81 poor 8 81 - 10 - 3969/4.4=2, 5.2/7312=2 HB2 GLU 28 - H ARG 81 lone 2 70 - 3 - Peak 7322 from nnoeabs.peaks (8.72, 8.72, 124.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 82 + H LYS 82 OK 100 100 - 100 Peak 7324 from nnoeabs.peaks (4.36, 8.72, 124.67 ppm; 2.79 A): 3 out of 4 assignments used, quality = 0.80: * HA ARG 81 + H LYS 82 OK 71 100 - 71 - 3.6=48, 3.0/7325=12...(14) HA ASN 26 + H LYS 82 OK 17 99 - 18 - 9764/4.0=2, 3584/4.3=2...(8) HA ASP 61 + H LYS 82 OK 17 100 - 17 - 9446/4.0=3, 9767/5.8=2...(10) HA SER 102 - H LYS 82 lone 3 65 - 4 - Peak 7325 from nnoeabs.peaks (0.93, 8.72, 124.67 ppm; 3.66 A): 2 out of 2 assignments used, quality = 0.93: * HB2 ARG 81 + H LYS 82 OK 91 100 - 91 - 4.3=62, 3.0/3582=33...(10) QG2 VAL 5 + H LYS 82 OK 27 81 - 34 - 3576/3.6=7, 3594/4.3=6...(9) Peak 7326 from nnoeabs.peaks (1.06, 8.72, 124.67 ppm; 3.71 A): 2 out of 3 assignments used, quality = 0.99: * HB3 ARG 81 + H LYS 82 OK 95 100 - 95 - 4.3=65, 3.0/3582=34...(17) HG2 LYS 82 + H LYS 82 OK 90 99 - 91 - 5.1=39, 2.9/3659=29...(19) HG12 ILE 52 - H LYS 82 OK 14 73 - 18 - 3577/3.6=3, 2.1/9755=3...(9) Peak 7327 from nnoeabs.peaks (0.43, 8.72, 124.67 ppm; 4.66 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 81 + H LYS 82 OK 99 100 - 99 - 4.8=92, 3.9/3582=38...(10) QD1 LEU 55 + H LYS 82 OK 59 96 - 62 - 9280/4.7=22, 9257/3.6=14...(9) Peak 7328 from nnoeabs.peaks (0.74, 8.72, 124.67 ppm; 3.40 A): 3 out of 10 assignments used, quality = 0.95: * HG3 ARG 81 + H LYS 82 OK 81 100 - 82 - 4.8=36, 3.9/3582=21...(10) QD1 LEU 64 + H LYS 82 OK 55 100 - 55 - 2.1/10247=16...(12) QG1 VAL 78 + H LYS 82 OK 34 98 - 34 - 10900/3.0=9, ~10901=9...(9) QG1 VAL 58 - H LYS 82 OK 28 61 - 46 - 2.1/10711=17, ~10228=10...(10) QD2 LEU 27 - H LYS 82 OK 21 92 - 23 - 3.1/7332=3, 10133/5.1=3...(10) QG1 VAL 5 - H LYS 82 OK 18 84 - 21 - 2.1/7325=7, 3579/3.6=2...(8) HG13 ILE 93 - H LYS 82 OK 17 99 - 17 - 10018/4.3=7, 3579/3.6=2...(5) QG2 ILE 93 - H LYS 82 OK 16 90 - 18 - 10322/4.3=7, 3579/3.6=2...(4) QG2 VAL 78 - H LYS 82 OK 14 65 - 22 - 10901/3.0=7, ~10900=6...(4) HG13 ILE 15 - H LYS 82 OK 11 77 - 15 - 2.9/7329=5, 8463/5.1=3 Peak 7329 from nnoeabs.peaks (1.73, 8.72, 124.67 ppm; 3.29 A): 4 out of 7 assignments used, quality = 0.78: * HD2 ARG 81 + H LYS 82 OK 64 100 - 64 - 1.8/3636=16, 3.4/7325=16...(9) HB ILE 15 + H LYS 82 OK 21 99 - 21 - 8462/5.1=8, 3580/3.6=3...(7) HD3 LYS 33 + H LYS 82 OK 11 100 - 11 - 3580/3.6=2, 3589/4.3=2...(6) HD2 LYS 33 + H LYS 82 OK 11 100 - 11 - 3580/3.6=2, 3589/4.3=2...(6) HB3 LEU 70 - H LYS 82 lone 8 92 - 8 - 3580/3.6=1, 3607/4.8=1 HD2 LYS 90 - H LYS 82 lone 3 81 - 3 - HB2 GLU 28 - H LYS 82 lone 2 70 - 3 - Peak 7330 from nnoeabs.peaks (2.31, 8.72, 124.67 ppm; 4.51 A): 5 out of 7 assignments used, quality = 0.95: * HD3 ARG 81 + H LYS 82 OK 91 100 - 91 - 3636=41, 3.4/7325=28...(12) HG2 GLU 63 + H LYS 82 OK 17 84 - 21 - 3581/3.6=3...(10) HB2 GLU 48 + H LYS 82 OK 14 92 - 15 - 3581/3.6=2, 3617/4.8=2...(6) HB2 TYR 41 + H LYS 82 OK 14 98 - 14 - 3581/3.6=2, 3608/4.8=2...(5) HG3 GLU 16 + H LYS 82 OK 11 92 - 12 - 3581/3.6=2, 3617/4.8=2...(5) HB2 TYR 4 - H LYS 82 poor 10 70 - 14 - 3617/4.8=3, 3608/4.8=2...(5) HG3 GLU 43 - H LYS 82 lone 7 81 - 9 - 3581/3.6=1 Peak 7331 from nnoeabs.peaks (4.70, 8.72, 124.67 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 82 + H LYS 82 OK 100 100 - 100 - 3.0=100 HA ARG 79 - H LYS 82 OK 41 90 - 46 - 3649/4.0=7, 3660/4.0=7...(14) Peak 7332 from nnoeabs.peaks (1.34, 8.72, 124.67 ppm; 3.28 A): 5 out of 11 assignments used, quality = 0.94: * HB2 LYS 82 + H LYS 82 OK 86 100 - 86 - 4.0=55, 1.8/3659=29...(15) HB3 LEU 27 + H LYS 82 OK 27 100 - 27 - 8634/4.3=5, 3661/4.0=3...(14) HG2 LYS 39 + H LYS 82 OK 22 100 - 22 - 3.5/9754=7, 3.5/9754=4...(7) HG LEU 14 + H LYS 82 OK 17 97 - 18 - 2.1/9755=4, 3661/4.0=2...(9) QB ALA 67 + H LYS 82 OK 10 98 - 10 - 10783/4.0=2, 3639/3.0=1 HG3 LYS 40 - H LYS 82 poor 9 73 - 13 - 3.0/3692=2, 3.0/3692=2...(7) QB ALA 89 - H LYS 82 lone 9 99 - 9 - 7344/4.5=2, 3639/3.0=1 QB ALA 25 - H LYS 82 lone 8 99 - 8 - HG3 LYS 68 - H LYS 82 lone 7 98 - 8 - HB3 LEU 2 - H LYS 82 lone 7 92 - 7 - HG2 LYS 94 - H LYS 82 lone 5 99 - 4 - Peak 7333 from nnoeabs.peaks (1.76, 8.72, 124.67 ppm; 3.11 A): 5 out of 6 assignments used, quality = 0.91: * HB3 LYS 82 + H LYS 82 OK 80 100 - 80 - 4.0=47, 1.8/3648=25...(13) HB ILE 56 + H LYS 82 OK 28 100 - 28 - 9303/4.7=9, ~9305=4...(8) HB VAL 78 + H LYS 82 OK 18 73 - 24 - ~10901=7, ~10900=5...(6) HG3 ARG 19 + H LYS 82 OK 14 99 - 14 - 3640/3.0=2, 3651/4.0=2...(5) HB2 LYS 66 + H LYS 82 OK 10 100 - 10 - 3640/3.0=1, 3651/4.0=1 HB3 GLU 63 - H LYS 82 poor 10 81 - 12 - 9380/10711=2, 3.0/7330=2...(5) Peak 7334 from nnoeabs.peaks (1.06, 8.72, 124.67 ppm; 3.71 A): 2 out of 3 assignments used, quality = 0.99: HB3 ARG 81 + H LYS 82 OK 93 99 - 95 - 4.3=65, 3.0/3582=34...(17) * HG2 LYS 82 + H LYS 82 OK 91 100 - 91 - 5.1=39, 2.9/3659=29...(20) HG2 ARG 91 - H LYS 82 OK 11 77 - 14 - 3652/4.0=3, 3663/4.0=3...(7) Peak 7335 from nnoeabs.peaks (1.14, 8.72, 124.67 ppm; 4.21 A): 1 out of 3 assignments used, quality = 0.95: * HG3 LYS 82 + H LYS 82 OK 95 100 - 95 - 5.1=56, 2.9/3659=36...(14) HB3 LEU 3 - H LYS 82 OK 31 87 - 35 - 3653/4.0=8, 3664/4.0=7...(9) QG2 THR 31 - H LYS 82 OK 25 100 - 25 - 8742/4.5=6, 3664/4.0=5...(9) Peak 7336 from nnoeabs.peaks (1.46, 8.72, 124.67 ppm; 4.38 A): 2 out of 14 assignments used, quality = 0.97: * HD2 LYS 82 + H LYS 82 OK 95 100 - 95 - 5.8=43, 3.5/3659=33...(17) HD2 LYS 40 + H LYS 82 OK 39 99 - 40 - 3693/3.0=5, 3692=5...(15) HD3 LYS 40 - H LYS 82 OK 38 98 - 39 - 1.8/3692=5, 3693/3.0=5...(14) HB2 LEU 27 - H LYS 82 OK 36 100 - 37 - 1.8/7332=6, 8633/4.3=5...(13) HG LEU 38 - H LYS 82 OK 22 100 - 22 - 2.1/10939=8, 3654/4.0=2...(7) HG3 LYS 39 - H LYS 82 OK 21 65 - 31 - 3.5/9754=14, 3.5/9754=7...(6) HB2 LEU 38 - H LYS 82 OK 20 99 - 20 - 3.1/10939=7...(7) HD2 LYS 53 - H LYS 82 OK 19 100 - 19 - 9195/4.8=5, 1.8/7337=3...(9) HG13 ILE 52 - H LYS 82 OK 18 100 - 18 - 2.1/9755=4, 1.8/7326=3...(4) HG3 ARG 91 - H LYS 82 OK 14 97 - 14 - 1.8/7334=3, 4057/5.1=2...(6) HG2 LYS 53 - H LYS 82 OK 13 99 - 13 - 3.0/7337=2, 3687/5.1=1...(6) HG3 LYS 53 - H LYS 82 OK 11 94 - 12 - 3.0/7337=2, 3687/5.1=1...(6) HG2 LYS 20 - H LYS 82 lone 4 100 - 4 - HG2 LYS 12 - H LYS 82 lone 2 81 - 3 - Peak 7337 from nnoeabs.peaks (1.57, 8.72, 124.67 ppm; 5.31 A): 1 out of 9 assignments used, quality = 0.99: * HD3 LYS 82 + H LYS 82 OK 99 100 - 99 - 5.8=76, 3.5/3659=43...(20) HB2 LEU 3 - H LYS 82 OK 37 84 - 44 - 1.8/7335=10, 3655/4.0=7...(10) HD3 LYS 53 - H LYS 82 OK 24 81 - 29 - 9194/4.8=5, 3688/5.1=3...(13) HG LEU 103 - H LYS 82 OK 20 73 - 28 - 2.1/10939=11, 3655/4.0=3...(10) HG2 ARG 19 - H LYS 82 OK 16 61 - 26 - 3666/4.0=4, 1.8/7333=4...(10) HB3 GLU 28 - H LYS 82 OK 15 100 - 15 - 3655/4.0=2, 3666/4.0=2...(5) HB2 LEU 103 - H LYS 82 OK 14 61 - 22 - 3.1/10939=10, 3666/4.0=2...(5) HG2 LYS 33 - H LYS 82 poor 8 65 - 12 - 3.0/7329=4, 3.0/7329=4 HG3 LYS 90 - H LYS 82 lone 4 65 - 5 - 2.9/7329=1 Peak 7340 from nnoeabs.peaks (9.11, 8.72, 124.67 ppm; 4.42 A): 1 out of 2 assignments used, quality = 0.99: * H VAL 83 + H LYS 82 OK 99 100 - 99 - 4.5=94, 3647/3.0=37...(14) H ARG 30 - H LYS 82 OK 19 65 - 28 - 3669/4.0=5, 3658/4.0=5...(8) Peak 7341 from nnoeabs.peaks (9.11, 9.11, 122.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 83 + H VAL 83 OK 100 100 - 100 Peak 7342 from nnoeabs.peaks (8.72, 9.11, 122.38 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 82 + H VAL 83 OK 100 100 - 100 - 4.5=100 Peak 7343 from nnoeabs.peaks (4.70, 9.11, 122.38 ppm; 2.92 A): 2 out of 2 assignments used, quality = 0.85: * HA LYS 82 + H VAL 83 OK 82 100 - 82 - 3.6=55, 3.0/3658=11...(14) HA ARG 79 + H VAL 83 OK 20 90 - 22 - 3649/4.6=3, 3660/4.6=3...(10) Peak 7344 from nnoeabs.peaks (1.34, 9.11, 122.38 ppm; 4.10 A): 1 out of 11 assignments used, quality = 0.96: * HB2 LYS 82 + H VAL 83 OK 96 100 - 96 - 4.6=69, 3.0/3647=33...(18) QB ALA 89 - H VAL 83 OK 43 99 - 43 - 9931/4.0=26, 9810/4.0=9...(5) HG LEU 14 - H VAL 83 OK 32 97 - 33 - 2.1/9803=8, 10399/4.0=5...(10) HB3 LEU 27 - H VAL 83 OK 24 100 - 24 - 3661/4.6=4, 3.1/9802=3...(9) HG2 LYS 39 - H VAL 83 OK 18 100 - 18 - 7332/4.5=3, 3661/4.6=2...(7) QB ALA 67 - H VAL 83 OK 16 98 - 16 - 10783/4.6=2, 9818/4.0=2...(7) HG3 LYS 68 - H VAL 83 OK 13 98 - 13 - 12321/4.0=4, 9821/4.0=1 QB ALA 25 - H VAL 83 OK 12 99 - 12 - 8624/4.0=1, 3639/3.6=1...(5) HG3 LYS 40 - H VAL 83 OK 10 73 - 14 - 3.0/3702=3, 3.0/3702=3...(5) HG2 LYS 94 - H VAL 83 OK 10 99 - 10 - 12252/4.0=2, 9810/4.0=2 HB3 LEU 2 - H VAL 83 poor 10 92 - 10 - 9810/4.0=2, 9818/4.0=1...(4) Peak 7345 from nnoeabs.peaks (1.76, 9.11, 122.38 ppm; 4.27 A): 1 out of 6 assignments used, quality = 0.98: * HB3 LYS 82 + H VAL 83 OK 98 100 - 98 - 4.6=78, 3.0/3647=35...(14) HB ILE 56 - H VAL 83 OK 43 100 - 43 - 9328/4.0=11, 3.8/7356=7...(12) HG3 ARG 19 - H VAL 83 OK 18 99 - 18 - 3640/3.6=4, 3651/4.6=4...(7) HB3 GLU 63 - H VAL 83 OK 15 81 - 18 - 4.6/9778=5, 9380/10710=4...(5) HB2 LYS 66 - H VAL 83 OK 12 100 - 12 - 3640/3.6=2, 3651/4.6=2...(4) HB VAL 78 - H VAL 83 OK 11 73 - 15 - 3640/3.6=4, 7333/4.5=3...(4) Peak 7346 from nnoeabs.peaks (1.06, 9.11, 122.38 ppm; 3.60 A): 2 out of 3 assignments used, quality = 0.89: * HG2 LYS 82 + H VAL 83 OK 85 100 - 85 - 3680=25, 1.8/7347=24...(17) HB3 ARG 81 + H VAL 83 OK 30 99 - 30 - 4.3/7340=13, 3663/4.6=6...(6) HG2 ARG 91 - H VAL 83 lone 7 77 - 8 - 3652/4.6=2, 3663/4.6=2 Peak 7347 from nnoeabs.peaks (1.14, 9.11, 122.38 ppm; 3.74 A): 3 out of 3 assignments used, quality = 0.92: * HG3 LYS 82 + H VAL 83 OK 87 100 - 87 - 3691=28, 1.8/7346=27...(16) QG2 THR 31 + H VAL 83 OK 20 100 - 20 - 8742=5, 3664/4.6=3...(7) HB3 LEU 3 + H VAL 83 OK 18 87 - 21 - 3653/4.6=5, 3664/4.6=5...(6) Peak 7348 from nnoeabs.peaks (1.46, 9.11, 122.38 ppm; 5.06 A): 1 out of 14 assignments used, quality = 0.96: * HD2 LYS 82 + H VAL 83 OK 96 100 - 96 - 2.9/3680=33, 2.9/3691=33...(14) HD2 LYS 40 - H VAL 83 OK 37 99 - 38 - 3693/3.6=6, 3702=5...(13) HD3 LYS 40 - H VAL 83 OK 36 98 - 37 - 3693/3.6=5, 1.8/3702=5...(12) HB2 LEU 27 - H VAL 83 OK 29 100 - 29 - 3.1/9802=5, 1191/4.6=4...(10) HG LEU 38 - H VAL 83 OK 19 100 - 19 - 2.1/9801=7, 3654/4.6=2...(4) HG13 ILE 52 - H VAL 83 OK 17 100 - 17 - 2.1/9803=5, 3.2/9802=3...(6) HB2 LEU 38 - H VAL 83 OK 17 99 - 17 - 3.1/9801=6, 3654/4.6=2...(4) HD2 LYS 53 - H VAL 83 OK 17 100 - 17 - 1.8/7349=4, 5.3/9772=3...(6) HG2 LYS 53 - H VAL 83 OK 16 99 - 16 - 3.9/9772=4, 3.0/7349=3...(5) HG3 LYS 53 - H VAL 83 OK 15 94 - 16 - 3.9/9772=4, 3.0/7349=3...(4) HG3 ARG 91 - H VAL 83 OK 13 97 - 13 - 1.8/7346=3, 3654/4.6=2...(6) HG3 LYS 39 - H VAL 83 poor 8 65 - 12 - 1.8/7344=3, 7336/4.5=2...(4) HG2 LYS 20 - H VAL 83 lone 4 100 - 4 - HG2 LYS 12 - H VAL 83 lone 3 81 - 4 - Peak 7349 from nnoeabs.peaks (1.57, 9.11, 122.38 ppm; 5.24 A): 1 out of 9 assignments used, quality = 0.97: * HD3 LYS 82 + H VAL 83 OK 97 100 - 97 - 3713=38, 2.9/3680=35...(18) HB2 LEU 3 - H VAL 83 OK 25 84 - 30 - 1.8/7347=7, 3655/4.6=6...(6) HD3 LYS 53 - H VAL 83 OK 17 81 - 21 - 5.3/9772=3, 3666/4.6=3...(9) HB3 GLU 28 - H VAL 83 OK 12 100 - 12 - 4.6/6473=2, 3655/4.6=2...(4) HG2 ARG 19 - H VAL 83 OK 11 61 - 17 - 1.8/7345=4, 3666/4.6=4...(6) HG LEU 103 - H VAL 83 OK 10 73 - 14 - 3655/4.6=3, 3666/4.6=3...(6) HB2 LEU 103 - H VAL 83 poor 6 61 - 10 - 3666/4.6=2, 3655/4.6=2...(4) HG2 LYS 33 - H VAL 83 lone 2 65 - 4 - HG3 LYS 90 - H VAL 83 lone 2 65 - 3 - Peak 7352 from nnoeabs.peaks (4.80, 9.11, 122.38 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 83 + H VAL 83 OK 100 100 - 100 - 3.0=100 HA ASN 60 - H VAL 83 OK 30 77 - 38 - 4.8/10721=17, 3.0/9778=7...(12) HA THR 34 - H VAL 83 OK 11 73 - 15 - 3755/4.0=3, 3743/4.0=3...(7) Peak 7353 from nnoeabs.peaks (2.11, 9.11, 122.38 ppm; 3.85 A): 1 out of 11 assignments used, quality = 0.98: * HB VAL 83 + H VAL 83 OK 98 100 - 98 - 4.0=92, 2.1/3748=39...(7) HB2 LEU 64 - H VAL 83 OK 32 100 - 33 - 3.1/9801=6, 10760/4.0=5...(8) HB2 PRO 86 - H VAL 83 OK 16 97 - 17 - 3738/3.0=3, 3756/4.0=3...(6) HB3 PRO 86 - H VAL 83 OK 14 96 - 15 - 3738/3.0=3, 3756/4.0=3...(5) HG3 GLU 37 - H VAL 83 lone 7 100 - 6 - 3738/3.0=1 HG3 GLU 104 - H VAL 83 lone 5 77 - 7 - ~12222=1, 3738/3.0=1...(4) QE MET 21 - H VAL 83 lone 5 81 - 6 - HB3 GLU 37 - H VAL 83 lone 4 84 - 4 - HB2 GLU 69 - H VAL 83 lone 2 81 - 3 - HB3 GLU 69 - H VAL 83 lone 2 81 - 3 - HG2 GLU 69 - H VAL 83 lone 2 81 - 2 - Peak 7354 from nnoeabs.peaks (0.96, 9.11, 122.38 ppm; 3.11 A): 3 out of 4 assignments used, quality = 0.85: * QG2 VAL 83 + H VAL 83 OK 77 100 - 77 - 4.0=48, 2.1/7355=23...(11) HG LEU 55 + H VAL 83 OK 21 100 - 21 - 3745/4.0=4, 2532/4.0=4...(7) QG2 THR 80 + H VAL 83 OK 14 70 - 20 - 9711/3.6=3...(9) QG2 VAL 5 - H VAL 83 lone 5 70 - 6 - 2.1/8165=2 Peak 7355 from nnoeabs.peaks (1.01, 9.11, 122.38 ppm; 3.44 A): 2 out of 2 assignments used, quality = 0.90: * QG1 VAL 83 + H VAL 83 OK 88 100 - 88 - 4.0=65, 2.1/3748=33...(9) HB3 LEU 55 + H VAL 83 OK 18 70 - 25 - 3.0/7354=5, 3746/4.0=5...(7) Peak 7356 from nnoeabs.peaks (9.20, 9.11, 122.38 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: * H THR 84 + H VAL 83 OK 100 100 - 100 - 4.6=98, 7359/3.0=40...(7) H ILE 56 - H VAL 83 OK 41 87 - 48 - 3753/4.0=11, 3741/3.0=9...(10) Peak 7357 from nnoeabs.peaks (9.20, 9.20, 113.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 84 + H THR 84 OK 100 100 - 100 Peak 7358 from nnoeabs.peaks (9.11, 9.20, 113.18 ppm; 4.43 A): 1 out of 2 assignments used, quality = 0.98: * H VAL 83 + H THR 84 OK 98 100 - 98 - 4.6=91, 3.0/7359=39...(6) H ARG 30 - H THR 84 poor 9 65 - 13 - 3736/3.6=3, 3754/4.0=3...(6) Peak 7359 from nnoeabs.peaks (4.80, 9.20, 113.18 ppm; 2.80 A): 1 out of 3 assignments used, quality = 0.68: * HA VAL 83 + H THR 84 OK 68 100 - 68 - 3.6=48, 3.0/7358=10...(8) HA THR 34 - H THR 84 lone 6 73 - 8 - 3755/4.0=2, 3749/4.0=2...(4) HA ASN 60 - H THR 84 lone 6 77 - 7 - 7352/4.6=2, 3749/4.0=2...(4) Peak 7360 from nnoeabs.peaks (2.11, 9.20, 113.18 ppm; 3.55 A): 4 out of 11 assignments used, quality = 0.91: * HB VAL 83 + H THR 84 OK 86 100 - 86 - 4.4=51, 3.0/7359=29...(11) HB2 LEU 64 + H THR 84 OK 17 100 - 17 - 10760/4.0=4, 3756/4.0=4...(5) HB3 PRO 86 + H THR 84 OK 15 96 - 15 - 9859/4.6=3, 3756/4.0=3...(6) HB2 PRO 86 + H THR 84 OK 12 97 - 12 - 3756/4.0=2, 3750/4.0=2...(5) QE MET 21 - H THR 84 lone 7 81 - 9 - 9859/4.6=2, 6.1/7366=2 HG3 GLU 104 - H THR 84 lone 7 77 - 9 - 3.0/9831=3, 3738/3.6=1 HG3 GLU 37 - H THR 84 lone 6 100 - 6 - HB3 GLU 37 - H THR 84 lone 4 84 - 4 - HB2 GLU 69 - H THR 84 lone 1 81 - 2 - HB3 GLU 69 - H THR 84 lone 1 81 - 2 - HG2 GLU 69 - H THR 84 lone 1 81 - 1 - Peak 7361 from nnoeabs.peaks (0.96, 9.20, 113.18 ppm; 3.72 A): 2 out of 4 assignments used, quality = 0.98: * QG2 VAL 83 + H THR 84 OK 96 100 - 96 - 4.0=79, 3.2/7359=30...(13) HG LEU 55 + H THR 84 OK 48 100 - 48 - 2.1/2544=8, 3.0/7362=6...(15) QG2 THR 80 - H THR 84 OK 32 70 - 45 - 3.2/9701=8, 10914=7...(14) QG2 VAL 5 - H THR 84 OK 13 70 - 19 - 2.1/8167=8, 4.1/11107=4 Peak 7362 from nnoeabs.peaks (1.01, 9.20, 113.18 ppm; 3.94 A): 1 out of 2 assignments used, quality = 0.99: * QG1 VAL 83 + H THR 84 OK 99 100 - 99 - 4.0=94, 3.2/7359=32...(12) HB3 LEU 55 - H THR 84 OK 31 70 - 45 - 3.0/7361=8, 3.1/2544=7...(11) Peak 7363 from nnoeabs.peaks (4.58, 9.20, 113.18 ppm; 3.60 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 84 + H THR 84 OK 100 100 - 100 - 3.0=100 HB THR 34 - H THR 84 poor 10 73 - 13 - 9786/4.0=4, 9800/4.0=3...(4) HA ASP 77 - H THR 84 lone 7 92 - 8 - 3771/4.0=1, 3766/4.0=1, ~7268=1 HA ASP 11 - H THR 84 lone 3 70 - 5 - HA HIS 105 - H THR 84 lone 2 81 - 2 - Peak 7364 from nnoeabs.peaks (4.44, 9.20, 113.18 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 84 + H THR 84 OK 100 100 - 100 - 4.0=100 HA ILE 76 - H THR 84 lone 5 87 - 6 - 3762/3.0=2, 7370/4.6=2 HA SER 9 - H THR 84 lone 5 90 - 5 - 10384/3.0=1, 7370/4.6=1 HA GLU 48 - H THR 84 lone 4 87 - 4 - Peak 7365 from nnoeabs.peaks (1.24, 9.20, 113.18 ppm; 3.49 A): 1 out of 2 assignments used, quality = 0.85: * QG2 THR 84 + H THR 84 OK 85 100 - 85 - 4.0=67, 3763/3.0=28...(5) QB ALA 18 - H THR 84 lone 7 77 - 8 - 7371/4.6=2, 3763/3.0=2...(5) Peak 7366 from nnoeabs.peaks (7.69, 9.20, 113.18 ppm; 3.00 A): 3 out of 3 assignments used, quality = 0.70: * H SER 85 + H THR 84 OK 59 100 - 60 - 7368=31, 4.3/7365=12...(8) H MET 21 + H THR 84 OK 18 99 - 18 - 8560/4.0=4, 9779/4.0=3...(6) HD22 ASN 51 + H THR 84 OK 10 100 - 10 - 9779/4.0=2, 9793/4.0=2...(6) Peak 7367 from nnoeabs.peaks (7.69, 7.69, 115.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 85 + H SER 85 OK 100 100 - 100 Peak 7368 from nnoeabs.peaks (9.20, 7.69, 115.56 ppm; 3.35 A): 2 out of 2 assignments used, quality = 0.73: * H THR 84 + H SER 85 OK 69 100 - 70 - 4.6=38, 7365/4.3=16...(9) H ILE 56 + H SER 85 OK 12 87 - 13 - 3760/3.6=2, 3770/4.3=2...(6) Peak 7369 from nnoeabs.peaks (4.58, 7.69, 115.56 ppm; 4.34 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 84 + H SER 85 OK 100 100 - 100 - 3.6=100 HA ASP 77 - H SER 85 lone 6 92 - 6 - 3771/4.3=2, 7363/4.6=2 HB THR 34 - H SER 85 lone 5 73 - 7 - 7363/4.6=2, 9786/9779=2 HA ASP 11 - H SER 85 lone 4 70 - 6 - 8425/10413=2 HA HIS 105 - H SER 85 lone 2 81 - 2 - Peak 7370 from nnoeabs.peaks (4.44, 7.69, 115.56 ppm; 5.03 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 84 + H SER 85 OK 100 100 - 100 - 4.7=100 HA ILE 76 - H SER 85 OK 11 87 - 13 - 3.0/10951=5, 3762/3.6=2...(4) HA SER 9 - H SER 85 lone 8 90 - 8 - ~8339=2, 10384/3.6=2...(4) HA GLU 48 - H SER 85 lone 7 87 - 8 - 9037/10413=1, 7364/4.6=1 Peak 7371 from nnoeabs.peaks (1.24, 7.69, 115.56 ppm; 4.80 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 84 + H SER 85 OK 100 100 - 100 - 4.3=100 QB ALA 18 - H SER 85 OK 25 77 - 33 - 2.1/769=8, 3.6/6292=7...(9) Peak 7372 from nnoeabs.peaks (5.14, 7.69, 115.56 ppm; 4.02 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 85 + H SER 85 OK 100 100 - 100 - 3.0=100 HA ILE 7 - H SER 85 OK 18 99 - 18 - 3780/4.0=3, 3784/4.0=2...(10) HA LEU 3 - H SER 85 OK 12 96 - 13 - 3780/4.0=2, 3784/4.0=2...(5) HA TYR 4 - H SER 85 lone 9 97 - 9 - 9834/4.6=1, 3780/4.0=1 Peak 7373 from nnoeabs.peaks (3.90, 7.69, 115.56 ppm; 4.43 A): 2 out of 7 assignments used, quality = 1.00: * HB2 SER 85 + H SER 85 OK 100 100 - 100 - 4.0=100 HA ALA 89 + H SER 85 OK 47 100 - 47 - 3.0/10303=14, 3777/3.0=7...(12) HA ARG 91 - H SER 85 OK 11 77 - 15 - 3777/3.0=3, 3785/4.0=2...(7) HA GLU 63 - H SER 85 lone 6 90 - 6 - 3777/3.0=1 HA3 GLY 101 - H SER 85 lone 4 92 - 4 - HA GLU 35 - H SER 85 lone 4 73 - 5 - HB2 SER 102 - H SER 85 lone 3 94 - 4 - Peak 7374 from nnoeabs.peaks (4.19, 7.69, 115.56 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: * HB3 SER 85 + H SER 85 OK 100 100 - 100 - 4.0=100 HA GLU 98 - H SER 85 lone 5 100 - 5 - 3778/3.0=2, 3782/4.0=1 HA LYS 73 - H SER 85 lone 4 61 - 6 - 3.0/9860=2, 3.0/9860=2 Peak 7375 from nnoeabs.peaks (8.13, 8.13, 115.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 87 + H ASP 87 OK 100 100 - 100 Peak 7376 from nnoeabs.peaks (4.09, 8.13, 115.38 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 86 + H ASP 87 OK 100 100 - 100 - 3.5=100 HA LYS 24 - H ASP 87 OK 37 90 - 42 - 3.0/7386=11, 1049/4.5=6...(13) HA LYS 66 - H ASP 87 OK 13 87 - 15 - 3815/3.9=5, 3823/3.9=5 HA ARG 46 - H ASP 87 poor 8 73 - 10 - 3.0/10963=2, 3.0/9902=1...(5) Peak 7377 from nnoeabs.peaks (2.12, 8.13, 115.38 ppm; 3.37 A): 3 out of 11 assignments used, quality = 0.93: * HB2 PRO 86 + H ASP 87 OK 79 100 - 79 - 3.9=63, 3.0/7382=11...(7) HB3 PRO 86 + H ASP 87 OK 61 77 - 80 - 3.9=63, 3.0/7382=11...(8) HB VAL 83 + H ASP 87 OK 10 97 - 10 - 3809/3.5=1, 9775/9897=1 HB3 GLU 69 - H ASP 87 lone 7 97 - 7 - 3094/3.5=3, 3.0/7381=1 HB2 GLU 69 - H ASP 87 lone 7 97 - 7 - 3094/3.5=3, 3.0/7381=1 HB2 GLU 75 - H ASP 87 lone 6 73 - 8 - 1.8/7380=4, 4.1/7386=2 HB2 LEU 64 - H ASP 87 lone 4 97 - 5 - 3809/3.5=1 HG2 GLU 69 - H ASP 87 lone 4 97 - 4 - 3808/3.5=1 HG3 GLU 37 - H ASP 87 lone 2 92 - 3 - HB3 GLU 37 - H ASP 87 lone 2 98 - 2 - HG2 GLU 44 - H ASP 87 lone 1 77 - 1 - Peak 7378 from nnoeabs.peaks (2.10, 8.13, 115.38 ppm; 3.43 A): 2 out of 9 assignments used, quality = 0.94: * HB3 PRO 86 + H ASP 87 OK 83 100 - 83 - 3.9=66, 3.0/7382=12...(14) HB2 PRO 86 + H ASP 87 OK 62 77 - 81 - 3.9=66, 3.0/7382=12...(7) QE MET 21 - H ASP 87 OK 22 98 - 23 - 8540/3.5=5, 8538/4.5=4...(6) HB VAL 83 - H ASP 87 OK 11 96 - 12 - 3809/3.5=2, 9775/9897=1 HB2 GLU 23 - H ASP 87 poor 9 65 - 14 - 4.6/7386=5, 1026/4.5=2 HG3 GLU 104 - H ASP 87 lone 6 97 - 6 - 3.0/9901=1 HB2 LEU 64 - H ASP 87 lone 5 96 - 5 - 3809/3.5=1 HG3 GLU 37 - H ASP 87 lone 3 99 - 3 - HB3 GLU 62 - H ASP 87 lone 1 73 - 2 - Peak 7379 from nnoeabs.peaks (1.69, 8.13, 115.38 ppm; 4.75 A): 3 out of 20 assignments used, quality = 0.99: HD3 LYS 90 + H ASP 87 OK 84 99 - 84 - ~10316=19, ~9907=19...(17) * HG2 PRO 86 + H ASP 87 OK 77 100 - 78 - 1.8/7380=21, 2.3/7382=21...(14) HB3 ARG 91 + H ASP 87 OK 66 92 - 72 - 1.8/4033=14...(18) HD2 LYS 24 - H ASP 87 OK 33 100 - 34 - 4.9/7376=6, 6.3/7386=6...(11) HD3 LYS 24 - H ASP 87 OK 33 99 - 34 - 4.9/7376=6, 6.3/7386=6...(11) HD3 LYS 66 - H ASP 87 OK 22 94 - 24 - 2942/3.5=8, 3818/3.9=4...(6) HG LEU 70 - H ASP 87 OK 15 98 - 16 - 3831/3.5=3, 3818/3.9=2...(5) HD3 LYS 47 - H ASP 87 OK 15 90 - 17 - 10313/2.9=3, ~10313=2...(5) HD2 LYS 47 - H ASP 87 OK 15 87 - 17 - 10313/2.9=3, ~10313=2...(5) HB2 LEU 2 - H ASP 87 OK 12 94 - 13 - 3818/3.9=2, 3826/3.9=2...(4) HD3 LYS 12 - H ASP 87 OK 11 96 - 11 - ~9909=1, ~9910=1, 9909/2.9=1 HD2 LYS 12 - H ASP 87 OK 11 96 - 11 - ~9909=1, ~9910=1, 9909/2.9=1 HG12 ILE 15 - H ASP 87 OK 11 100 - 11 - 3979/10963=2 HD2 LYS 13 - H ASP 87 lone 9 96 - 9 - 3810/3.5=1, 3826/3.9=1 HD2 LYS 20 - H ASP 87 poor 9 77 - 11 - 10313/2.9=2, 3.5/9902=1 HB3 LYS 53 - H ASP 87 lone 8 97 - 9 - HD3 LYS 13 - H ASP 87 lone 8 92 - 8 - 3810/3.5=1, 3826/3.9=1 HD3 LYS 20 - H ASP 87 poor 7 65 - 10 - ~10313=1, 10313/2.9=1...(4) HG3 LYS 20 - H ASP 87 lone 5 65 - 8 - ~10313=1, 3.0/9902=1 HB3 LYS 40 - H ASP 87 lone 4 94 - 4 - Peak 7380 from nnoeabs.peaks (2.19, 8.13, 115.38 ppm; 4.18 A): 6 out of 8 assignments used, quality = 0.85: * HG3 PRO 86 + H ASP 87 OK 70 100 - 70 - 2.3/7382=19, 2.3/7382=19...(10) HB3 GLU 75 + H ASP 87 OK 23 98 - 24 - 3827/3.9=4, 3811/3.5=4...(7) HG2 MET 1 + H ASP 87 OK 11 100 - 12 - 3819/3.9=3, 3811/3.5=3...(4) HG2 GLU 35 + H ASP 87 OK 11 100 - 11 - 3819/3.9=3, 3827/3.9=2 HG3 GLU 35 + H ASP 87 OK 11 100 - 11 - 3819/3.9=3, 3827/3.9=2 HB2 GLU 63 + H ASP 87 OK 11 100 - 11 - 3819/3.9=2, 3827/3.9=2 HB2 GLU 95 - H ASP 87 lone 6 94 - 6 - 4284/4080=1 HG2 GLU 43 - H ASP 87 lone 5 97 - 5 - Peak 7381 from nnoeabs.peaks (3.98, 8.13, 115.38 ppm; 3.58 A): 2 out of 4 assignments used, quality = 0.85: HD3 PRO 86 + H ASP 87 OK 62 100 - 62 - 3.0/7377=13, 2.3/7380=12...(13) * HD2 PRO 86 + H ASP 87 OK 62 100 - 62 - 3.0/7377=13, 2.3/7380=12...(13) HB3 SER 97 - H ASP 87 lone 6 97 - 6 - 4.5/7596=1, 3.0/4348=1 HA GLU 69 - H ASP 87 lone 6 65 - 9 - 3812/3.5=2, 3820/3.9=2...(5) Peak 7382 from nnoeabs.peaks (3.98, 8.13, 115.38 ppm; 3.58 A): 2 out of 4 assignments used, quality = 0.85: * HD3 PRO 86 + H ASP 87 OK 62 100 - 62 - 3.0/7377=13, 2.3/7380=12...(13) HD2 PRO 86 + H ASP 87 OK 62 100 - 62 - 3.0/7377=13, 2.3/7380=12...(13) HB3 SER 97 - H ASP 87 lone 6 96 - 6 - 4.5/7596=1, 3.0/4348=1 HA GLU 69 - H ASP 87 lone 6 61 - 9 - 3812/3.5=2, 3820/3.9=2...(5) Peak 7383 from nnoeabs.peaks (4.22, 8.13, 115.38 ppm; 3.23 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 87 + H ASP 87 OK 100 100 - 100 - 2.9=100 HB THR 31 - H ASP 87 lone 1 70 - 1 - Peak 7384 from nnoeabs.peaks (2.50, 8.13, 115.38 ppm; 2.92 A): 3 out of 8 assignments used, quality = 0.87: * HB2 ASP 87 + H ASP 87 OK 59 100 - 59 - 4.0=38, 1.8/3852=10...(6) HB3 ASP 87 + H ASP 87 OK 59 100 - 59 - 4.0=38, 1.8/3852=10...(6) HD2 ARG 91 + H ASP 87 OK 26 90 - 29 - 3.5/4033=4, 2.9/4052=3...(13) HG3 GLU 23 - H ASP 87 lone 8 97 - 8 - 1048/4.5=3 HB2 ASP 36 - H ASP 87 lone 5 96 - 5 - HB3 ASP 36 - H ASP 87 lone 5 94 - 5 - HG3 GLU 63 - H ASP 87 lone 1 65 - 2 - 3.0/7380=1 HB2 ASP 61 - H ASP 87 lone 1 87 - 1 - Peak 7385 from nnoeabs.peaks (2.50, 8.13, 115.38 ppm; 2.92 A): 3 out of 8 assignments used, quality = 0.87: HB2 ASP 87 + H ASP 87 OK 59 100 - 59 - 4.0=38, 1.8/3852=10...(6) * HB3 ASP 87 + H ASP 87 OK 59 100 - 59 - 4.0=38, 1.8/3852=10...(6) HD2 ARG 91 + H ASP 87 OK 26 90 - 29 - 3.5/4033=4, 2.9/4052=3...(13) HG3 GLU 23 - H ASP 87 lone 8 97 - 8 - 1048/4.5=3 HB2 ASP 36 - H ASP 87 lone 5 96 - 5 - HB3 ASP 36 - H ASP 87 lone 5 94 - 5 - HG3 GLU 63 - H ASP 87 lone 1 65 - 2 - 3.0/7380=1 HB2 ASP 61 - H ASP 87 lone 1 87 - 1 - Peak 7386 from nnoeabs.peaks (7.57, 8.13, 115.38 ppm; 3.40 A): 4 out of 4 assignments used, quality = 0.83: * H GLU 88 + H ASP 87 OK 65 100 - 65 - 4.5=44, 4.6/9897=7...(13) H LYS 24 + H ASP 87 OK 38 100 - 38 - 7388=12, 7389/2.9=6...(11) H LEU 14 + H ASP 87 OK 14 61 - 22 - 3.0/9903=6, 4.8/9900=4...(6) H ILE 76 + H ASP 87 OK 12 90 - 13 - 4.1/7380=2, 9853/3.5=2...(5) Peak 7387 from nnoeabs.peaks (7.57, 7.57, 120.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLU 88 + H GLU 88 OK 100 100 - 100 H LYS 24 + H LYS 24 OK 99 99 - 100 Peak 7388 from nnoeabs.peaks (8.13, 7.57, 120.01 ppm; 3.43 A): 4 out of 6 assignments used, quality = 0.88: * H ASP 87 + H GLU 88 OK 65 100 - 65 - 4.5=45, 9897/4.6=7...(13) H ASP 87 + H LYS 24 OK 40 99 - 40 - 7386=15, 2.9/7389=6...(11) H TRP 92 + H GLU 88 OK 33 99 - 34 - 7451/3.0=9, 7467/4.6=6...(9) H TRP 92 + H LYS 24 OK 12 97 - 13 - 7467/7400=2, 7453/7398=2...(4) H GLY 100 - H GLU 88 lone 7 97 - 7 - 3847/3.6=1, 10304/4.6=1 H GLY 100 - H LYS 24 lone 3 95 - 4 - Peak 7389 from nnoeabs.peaks (4.22, 7.57, 120.01 ppm; 3.70 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 87 + H GLU 88 OK 100 100 - 100 - 3.6=100 HA ASP 87 - H LYS 24 OK 35 99 - 35 - 2.9/7386=9, 3851=9...(10) HB THR 31 - H GLU 88 lone 1 70 - 2 - HB THR 31 - H LYS 24 lone 1 67 - 1 - Peak 7390 from nnoeabs.peaks (2.50, 7.57, 120.01 ppm; 3.16 A): 5 out of 16 assignments used, quality = 0.95: * HB2 ASP 87 + H GLU 88 OK 54 100 - 54 - 4.6=32, 3849/3.6=9...(8) HB3 ASP 87 + H GLU 88 OK 54 100 - 54 - 4.6=32, 3849/3.6=9...(8) HG3 GLU 23 + H LYS 24 OK 42 95 - 44 - 1043/3.6=11, 2.9/1026=9...(8) HG3 GLU 23 + H GLU 88 OK 39 97 - 40 - 2.9/1026=7, 2.9/1034=7...(12) HD2 ARG 91 + H GLU 88 OK 30 90 - 33 - ~9960=8, 9961/3.0=6...(12) HB3 ASP 87 - H LYS 24 OK 23 99 - 23 - 3.0/7389=5, 4.0/7386=5...(8) HB2 ASP 87 - H LYS 24 OK 23 99 - 23 - 3.0/7389=5, 4.0/7386=5...(8) HD2 ARG 91 - H LYS 24 poor 10 87 - 11 - 1017/3.6=3, 1033/4.6=2...(4) HB2 ASP 36 - H GLU 88 lone 7 96 - 7 - 3.6/8772=2, 8796=2, 1.8/8796=2 HB3 ASP 36 - H GLU 88 lone 7 94 - 7 - 3.6/8772=2, 8796=2, 1.8/8796=2 HB2 ASP 36 - H LYS 24 lone 3 93 - 3 - HB3 ASP 36 - H LYS 24 lone 3 92 - 3 - HB2 ASP 61 - H LYS 24 lone 1 84 - 2 - HB2 ASP 61 - H GLU 88 lone 1 87 - 1 - HG3 GLU 63 - H GLU 88 lone 1 65 - 2 - HG3 GLU 63 - H LYS 24 lone 1 63 - 2 - Peak 7391 from nnoeabs.peaks (2.50, 7.57, 120.01 ppm; 3.16 A): 5 out of 16 assignments used, quality = 0.95: HB2 ASP 87 + H GLU 88 OK 54 100 - 54 - 4.6=32, 3849/3.6=9...(8) * HB3 ASP 87 + H GLU 88 OK 54 100 - 54 - 4.6=32, 3849/3.6=9...(8) HG3 GLU 23 + H LYS 24 OK 42 95 - 44 - 1043/3.6=11, 2.9/1026=9...(8) HG3 GLU 23 + H GLU 88 OK 39 97 - 40 - 2.9/1026=7, 2.9/1034=7...(12) HD2 ARG 91 + H GLU 88 OK 30 90 - 33 - ~9960=8, 9961/3.0=6...(12) HB3 ASP 87 - H LYS 24 OK 23 99 - 23 - 3.0/7389=5, 4.0/7386=5...(8) HB2 ASP 87 - H LYS 24 OK 23 99 - 23 - 3.0/7389=5, 4.0/7386=5...(8) HD2 ARG 91 - H LYS 24 poor 10 87 - 11 - 1017/3.6=3, 1033/4.6=2...(4) HB2 ASP 36 - H GLU 88 lone 7 96 - 7 - 3.6/8772=2, 8796=2, 1.8/8796=2 HB3 ASP 36 - H GLU 88 lone 7 94 - 7 - 3.6/8772=2, 8796=2, 1.8/8796=2 HB2 ASP 36 - H LYS 24 lone 3 93 - 3 - HB3 ASP 36 - H LYS 24 lone 3 92 - 3 - HB2 ASP 61 - H LYS 24 lone 1 84 - 2 - HB2 ASP 61 - H GLU 88 lone 1 87 - 1 - HG3 GLU 63 - H GLU 88 lone 1 65 - 2 - HG3 GLU 63 - H LYS 24 lone 1 63 - 2 - Peak 7392 from nnoeabs.peaks (3.66, 7.57, 120.01 ppm; 3.35 A): 3 out of 4 assignments used, quality = 1.00: * HA GLU 88 + H GLU 88 OK 100 100 - 100 - 3.0=100 HA LYS 90 + H GLU 88 OK 51 92 - 56 - 3.0/8603=8, 3880/3.9=7...(18) HA GLU 88 + H LYS 24 OK 49 99 - 50 - 3862=13, 3.6/7400=8...(12) HA LYS 90 - H LYS 24 OK 22 89 - 25 - 3.0/7398=4, 3.0/8603=3...(10) Peak 7393 from nnoeabs.peaks (1.81, 7.57, 120.01 ppm; 3.36 A): 3 out of 16 assignments used, quality = 0.96: * HB2 GLU 88 + H GLU 88 OK 86 100 - 86 - 3.9=66, 1.8/3879=17...(13) HB2 LYS 90 + H GLU 88 OK 48 100 - 48 - 9908/3.6=10, 3925/3.0=8...(16) HB2 GLU 88 + H LYS 24 OK 45 99 - 46 - 1.8/3879=10, 3.0/3862=7...(10) HB ILE 93 - H GLU 88 OK 27 98 - 27 - 4129/3.0=7, ~10027=5...(13) HB2 GLU 104 - H GLU 88 OK 26 100 - 26 - 3873/3.0=4, 3881/3.9=4...(10) HB2 LYS 90 - H LYS 24 OK 20 98 - 20 - 4.1/7398=3, 3.0/7392=3...(7) HB2 GLU 104 - H LYS 24 OK 13 99 - 13 - 3872=2, 4522/3.6=2...(5) HB2 LEU 42 - H GLU 88 OK 12 100 - 12 - 9908/3.6=2, 3.1/8602=1 HB ILE 93 - H LYS 24 lone 9 96 - 9 - 4137/4.6=2, 4.4/6376=1 HB3 LEU 57 - H GLU 88 lone 6 77 - 8 - 7402/4.6=1 HB2 LYS 39 - H GLU 88 lone 5 90 - 6 - HB2 LEU 42 - H LYS 24 lone 5 99 - 5 - HG2 ARG 46 - H GLU 88 lone 5 73 - 7 - 9908/3.6=1 HG2 ARG 46 - H LYS 24 lone 3 71 - 4 - HB3 LEU 57 - H LYS 24 lone 3 74 - 3 - HB2 LYS 39 - H LYS 24 lone 2 87 - 3 - Peak 7394 from nnoeabs.peaks (2.08, 7.57, 120.01 ppm; 2.84 A): 6 out of 20 assignments used, quality = 0.94: * HB3 GLU 88 + H GLU 88 OK 64 100 - 64 - 3.9=40, 3.0/3886=8...(9) HB2 GLU 23 + H LYS 24 OK 44 92 - 48 - 4.6=23, 1.8/1034=9...(6) HB2 GLU 23 + H GLU 88 OK 38 94 - 40 - 1026=7, 1.8/1034=6...(13) HB3 GLU 88 + H LYS 24 OK 36 99 - 37 - 3879=7, 3.0/3862=5...(10) HB2 GLU 16 + H LYS 24 OK 14 99 - 14 - 695/3.6=5, 3.0/6372=4...(5) HB3 GLU 35 + H GLU 88 OK 10 100 - 10 - 3865/3.0=2, 1026=1 HB2 GLU 16 - H GLU 88 lone 8 100 - 8 - 3.0/6372=2 HB3 GLU 62 - H LYS 24 lone 6 87 - 7 - 1014/3.6=2, 2.9/6380=1 HB3 GLU 35 - H LYS 24 lone 4 98 - 4 - HB3 GLU 62 - H GLU 88 lone 4 90 - 5 - HB3 LEU 38 - H GLU 88 lone 4 99 - 4 - HB2 MET 74 - H LYS 24 lone 4 74 - 5 - HB3 GLU 43 - H GLU 88 lone 3 84 - 4 - HB2 MET 74 - H GLU 88 lone 3 77 - 4 - HB3 LEU 38 - H LYS 24 lone 2 97 - 2 - HB3 GLU 43 - H LYS 24 lone 1 81 - 1 - HG3 GLU 28 - H GLU 88 lone 1 81 - 1 - HG2 GLU 28 - H GLU 88 lone 1 81 - 1 - HG3 GLU 28 - H LYS 24 lone 0 78 - 0 - HG2 GLU 28 - H LYS 24 lone 0 78 - 0 - Peak 7395 from nnoeabs.peaks (2.14, 7.57, 120.01 ppm; 3.00 A): 5 out of 20 assignments used, quality = 0.92: * HG2 GLU 88 + H GLU 88 OK 59 100 - 59 - 4.9=23, 3889/3.9=11...(9) HB3 GLU 23 + H LYS 24 OK 43 84 - 51 - 4.6=27, 1.8/1026=11...(6) HB3 GLU 23 + H GLU 88 OK 37 87 - 43 - 1.8/1026=8, 1034=6...(13) HG2 GLU 88 + H LYS 24 OK 34 99 - 34 - 3886=8, 3.0/3879=6...(9) HG2 GLU 104 + H GLU 88 OK 18 98 - 19 - 3866/3.0=3, 4537/3.9=3...(8) HB2 GLU 75 - H GLU 88 lone 8 98 - 8 - 3866/3.0=1, 2.9/3380=1 HG2 GLU 104 - H LYS 24 lone 8 96 - 9 - 4536/3.6=2, 4540/4.6=1 HB3 GLU 95 - H LYS 24 lone 6 67 - 8 - 1015/3.6=2, 1023/4.6=1...(4) HB2 GLU 75 - H LYS 24 lone 5 96 - 5 - HB3 GLU 95 - H GLU 88 lone 3 70 - 4 - HG2 GLU 44 - H GLU 88 lone 1 97 - 1 - HB3 GLU 37 - H LYS 24 lone 1 71 - 2 - HB3 GLU 37 - H GLU 88 lone 1 73 - 2 - HB3 GLU 69 - H GLU 88 lone 1 77 - 1 - HB2 GLU 69 - H GLU 88 lone 1 77 - 1 - HG2 GLU 44 - H LYS 24 lone 1 95 - 1 - HG2 GLU 69 - H GLU 88 lone 1 77 - 1 - HB2 GLU 69 - H LYS 24 lone 1 74 - 1 - HB3 GLU 69 - H LYS 24 lone 1 74 - 1 - HG2 GLU 69 - H LYS 24 lone 1 74 - 1 - Peak 7396 from nnoeabs.peaks (1.94, 7.57, 120.01 ppm; 2.71 A): 6 out of 26 assignments used, quality = 0.89: * HG3 GLU 88 + H GLU 88 OK 50 100 - 50 - 4.9=17, 1.8/3886=9...(10) HB2 LYS 24 + H LYS 24 OK 36 59 - 61 - 4.0=30, 1.8/1061=7...(16) HB3 LYS 24 + H LYS 24 OK 36 59 - 61 - 4.0=30, 1.8/1061=7...(16) HG3 GLU 88 + H LYS 24 OK 25 99 - 26 - 1.8/3886=5, 3.0/3879=4...(9) HB2 LYS 24 + H GLU 88 OK 15 61 - 25 - 3.0/1049=5, 4.4/6397=4...(7) HB3 LYS 24 + H GLU 88 OK 15 61 - 25 - 3.0/1049=5, 4.4/6397=4...(7) HB3 LYS 73 - H LYS 24 poor 10 81 - 12 - 1.8/1061=1, 4.1/8591=1 HB2 LYS 73 - H LYS 24 poor 9 78 - 12 - 4.1/8591=1, 1.8/1073=1 HB VAL 32 - H GLU 88 lone 6 100 - 6 - 10158/3.9=2 HB3 LYS 20 - H GLU 88 lone 5 94 - 6 - 3.0/6372=1, 3867/3.0=1 HB2 GLU 17 - H GLU 88 lone 5 100 - 5 - 2.9/6372=1 HB2 GLU 17 - H LYS 24 lone 5 99 - 5 - 2.9/6372=2 HB3 LYS 73 - H GLU 88 lone 4 84 - 5 - HB3 LYS 47 - H LYS 24 lone 4 59 - 7 - 3.0/6377=1 HB2 LYS 73 - H GLU 88 lone 4 81 - 5 - HB3 LYS 20 - H LYS 24 lone 4 92 - 5 - 3.0/6372=3 HB3 ARG 46 - H GLU 88 lone 3 73 - 4 - HB2 MET 1 - H LYS 24 lone 3 99 - 3 - HB VAL 32 - H LYS 24 lone 3 98 - 3 - HB3 LYS 47 - H GLU 88 lone 3 61 - 4 - HB3 MET 74 - H LYS 24 lone 2 59 - 4 - HB3 MET 74 - H GLU 88 lone 2 61 - 3 - HB2 MET 1 - H GLU 88 lone 2 100 - 2 - HB3 ARG 19 - H GLU 88 lone 2 81 - 2 - HB3 ARG 46 - H LYS 24 lone 2 71 - 2 - HB3 ARG 19 - H LYS 24 lone 2 78 - 2 - Peak 7397 from nnoeabs.peaks (7.42, 7.57, 120.01 ppm; 3.03 A): 3 out of 6 assignments used, quality = 0.86: * H ALA 89 + H GLU 88 OK 65 100 - 65 - 4.6=28, 9924/3.6=11...(16) H ALA 89 + H LYS 24 OK 49 99 - 50 - 7400=16, 9923/3.0=10...(16) HE3 TRP 92 + H GLU 88 OK 20 98 - 21 - 3868/3.0=4, 3885/3.9=4...(7) HE3 TRP 92 - H LYS 24 lone 6 96 - 6 - HE22 GLN 72 - H GLU 88 lone 5 73 - 6 - 3868/3.0=1, 3885/3.9=1 HE22 GLN 72 - H LYS 24 lone 2 71 - 3 - Peak 7398 from nnoeabs.peaks (8.05, 7.57, 120.01 ppm; 4.99 A): 2 out of 6 assignments used, quality = 0.97: * H LYS 90 + H GLU 88 OK 92 100 - 92 - 9951/3.6=38, 7408/4.6=29...(21) H LYS 90 + H LYS 24 OK 64 99 - 65 - 9950/3.0=14, 4.5/7400=13...(20) H GLU 17 - H LYS 24 OK 20 67 - 30 - 3.6/6372=8, 2.9/6372=5...(7) H SER 102 - H GLU 88 OK 18 84 - 22 - 10962/3.6=5, 7408/4.6=4...(5) H GLU 17 - H GLU 88 OK 16 70 - 23 - 3.6/6372=4, 2.9/6372=3...(6) H SER 102 - H LYS 24 OK 11 81 - 13 - 7642/4.6=3, 4.6/6376=2 Peak 7399 from nnoeabs.peaks (7.42, 7.42, 118.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 89 + H ALA 89 OK 100 100 - 100 Peak 7400 from nnoeabs.peaks (7.57, 7.42, 118.87 ppm; 3.15 A): 4 out of 4 assignments used, quality = 0.89: * H GLU 88 + H ALA 89 OK 69 100 - 69 - 4.6=32, 3.6/9924=12...(16) H LYS 24 + H ALA 89 OK 52 100 - 53 - 7397=17, 3.0/9923=11...(16) H LEU 14 + H ALA 89 OK 13 61 - 22 - 4.8/8402=6, 4.8/9925=3...(4) H ILE 76 + H ALA 89 OK 12 90 - 13 - 3862/3.6=2, 9937/2.9=1...(6) Peak 7401 from nnoeabs.peaks (3.66, 7.42, 118.87 ppm; 3.85 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 88 + H ALA 89 OK 100 100 - 100 - 3.6=100 HA LYS 90 + H ALA 89 OK 70 92 - 76 - 3.0/7408=29, 3.6/7429=27...(17) Peak 7402 from nnoeabs.peaks (1.81, 7.42, 118.87 ppm; 3.57 A): 2 out of 8 assignments used, quality = 0.95: * HB2 GLU 88 + H ALA 89 OK 88 100 - 88 - 4.3=59, 1.8/7403=21...(22) HB2 LYS 90 + H ALA 89 OK 59 100 - 59 - 4.1/7429=20, 4.1/7408=18...(12) HB2 GLU 104 - H ALA 89 OK 32 100 - 32 - 3.0/9923=6, 3878=5...(8) HB ILE 93 - H ALA 89 OK 30 98 - 31 - 4129/3.6=7, ~10325=3...(13) HB3 LEU 57 - H ALA 89 OK 26 77 - 34 - 3.1/9926=8, ~9929=5...(10) HB2 LEU 42 - H ALA 89 OK 16 100 - 16 - 3.1/9925=3, 7417/4.5=2...(5) HG2 ARG 46 - H ALA 89 poor 10 73 - 14 - 3.6/7409=3, 7433/7429=2...(4) HB2 LYS 39 - H ALA 89 lone 8 90 - 9 - 3.0/7407=1 Peak 7403 from nnoeabs.peaks (2.08, 7.42, 118.87 ppm; 3.32 A): 3 out of 10 assignments used, quality = 0.87: * HB3 GLU 88 + H ALA 89 OK 79 100 - 79 - 4.3=48, 9933/2.9=11...(20) HB2 GLU 23 + H ALA 89 OK 28 94 - 30 - 1.8/7404=6, 4.6/7400=5...(8) HB3 GLU 35 + H ALA 89 OK 11 100 - 11 - 3865/3.6=2, 9933/2.9=1...(4) HB3 GLU 62 - H ALA 89 lone 7 90 - 7 - 3.0/9923=2, 9933/2.9=1 HB2 GLU 16 - H ALA 89 lone 6 100 - 6 - 4.6/7408=1 HB3 LEU 38 - H ALA 89 lone 6 99 - 6 - HB3 GLU 43 - H ALA 89 lone 5 84 - 6 - HB2 MET 74 - H ALA 89 lone 2 77 - 3 - HG3 GLU 28 - H ALA 89 lone 1 81 - 1 - HG2 GLU 28 - H ALA 89 lone 1 81 - 1 - Peak 7404 from nnoeabs.peaks (2.14, 7.42, 118.87 ppm; 3.92 A): 3 out of 10 assignments used, quality = 0.87: * HG2 GLU 88 + H ALA 89 OK 73 100 - 74 - 3.0/7403=19, 3887/3.6=17...(16) HB3 GLU 23 + H ALA 89 OK 34 87 - 39 - 1.8/7403=9, 4.6/7400=8...(9) HG2 GLU 104 + H ALA 89 OK 29 98 - 29 - 4.1/9923=6, 4537/4.3=5...(9) HB2 GLU 75 - H ALA 89 lone 8 98 - 8 - 4.1/7400=2, 3387/4.6=2...(4) HB3 GLU 95 - H ALA 89 lone 6 70 - 9 - 2.9/11015=4, ~11012=1 HB2 GLU 69 - H ALA 89 lone 2 77 - 3 - HB3 GLU 69 - H ALA 89 lone 2 77 - 3 - HG2 GLU 44 - H ALA 89 lone 2 97 - 2 - HB3 GLU 37 - H ALA 89 lone 2 73 - 2 - HG2 GLU 69 - H ALA 89 lone 2 77 - 2 - Peak 7405 from nnoeabs.peaks (1.94, 7.42, 118.87 ppm; 4.39 A): 7 out of 13 assignments used, quality = 0.95: * HG3 GLU 88 + H ALA 89 OK 82 100 - 82 - 3.0/7403=22, 3894/3.6=21...(18) HB3 LYS 24 + H ALA 89 OK 28 61 - 46 - 3.0/9923=20, 4.0/7400=12...(8) HB2 LYS 24 + H ALA 89 OK 28 61 - 46 - 3.0/9923=20, 4.0/7400=12...(8) HB VAL 32 + H ALA 89 OK 16 100 - 16 - 10158/4.3=4, 3867/3.6=2...(4) HB3 LYS 20 + H ALA 89 OK 14 94 - 15 - 4.6/10303=5, 3867/3.6=2...(4) HB2 GLU 17 + H ALA 89 OK 12 100 - 12 - 736/4.5=3, 4.0/7408=2...(4) HB3 ARG 46 + H ALA 89 OK 12 73 - 16 - 4.5/7409=3, 4.7/7409=3...(5) HB3 LYS 47 - H ALA 89 poor 7 61 - 11 - 4.0/7409=3, 3867/3.6=2 HB2 MET 1 - H ALA 89 lone 6 100 - 6 - HB3 ARG 19 - H ALA 89 lone 6 81 - 7 - 10440/10976=1 HB3 LYS 73 - H ALA 89 lone 5 84 - 6 - 3867/3.6=1 HB2 LYS 73 - H ALA 89 lone 5 81 - 6 - 3867/3.6=1 HB3 MET 74 - H ALA 89 lone 3 61 - 5 - Peak 7406 from nnoeabs.peaks (3.90, 7.42, 118.87 ppm; 3.27 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 89 + H ALA 89 OK 100 100 - 100 - 3.0=100 HA ARG 91 - H ALA 89 OK 44 84 - 52 - 3.0/7429=25, 3.6/7467=8...(12) HB2 SER 85 - H ALA 89 OK 33 100 - 33 - 4.0/10303=6, 1.8/9848=5...(11) HA GLU 35 - H ALA 89 poor 10 81 - 12 - 3.0/7403=2, 10306/4.3=2 HA GLU 63 - H ALA 89 poor 9 84 - 11 - 3908/2.9=1, ~9939=1...(5) HA3 GLY 101 - H ALA 89 lone 8 96 - 8 - 3.6/7408=2 HB2 SER 102 - H ALA 89 lone 8 97 - 8 - 4.0/7408=2 HA GLU 43 - H ALA 89 lone 5 65 - 7 - 10970/3.6=1 Peak 7407 from nnoeabs.peaks (1.34, 7.42, 118.87 ppm; 2.74 A): 3 out of 10 assignments used, quality = 0.92: * QB ALA 89 + H ALA 89 OK 88 100 - 88 - 2.9=82, 3.6/7408=12...(9) HG LEU 14 + H ALA 89 OK 24 90 - 27 - 2.1/8402=7, 2.1/9925=5...(8) QB ALA 25 + H ALA 89 OK 18 100 - 18 - 4.8/9923=5, 2.9/10303=3...(6) HG2 LYS 94 - H ALA 89 lone 8 100 - 8 - 3902/3.0=1, 10991/7429=1 HB3 LEU 2 - H ALA 89 lone 7 98 - 7 - 3.1/9926=1, 3902/3.0=1 HB2 LYS 82 - H ALA 89 lone 6 99 - 6 - HG2 LYS 39 - H ALA 89 lone 5 98 - 5 - QB ALA 67 - H ALA 89 lone 4 100 - 4 - HB3 LEU 27 - H ALA 89 lone 4 99 - 4 - HG3 LYS 68 - H ALA 89 lone 4 92 - 4 - Peak 7408 from nnoeabs.peaks (8.05, 7.42, 118.87 ppm; 3.16 A): 1 out of 3 assignments used, quality = 0.72: * H LYS 90 + H ALA 89 OK 72 100 - 72 - 7413=35, 3910/2.9=19...(14) H SER 102 - H ALA 89 poor 10 84 - 11 - 3903/3.0=2, 3910/2.9=2 H GLU 17 - H ALA 89 lone 6 70 - 9 - 3910/2.9=2, 3903/3.0=1 Peak 7409 from nnoeabs.peaks (7.47, 7.42, 118.87 ppm; 2.88 A): 1 out of 5 assignments used, quality = 0.66: * H ARG 91 + H ALA 89 OK 66 100 - 66 - 7429=41, 4.6/7408=9...(12) HE ARG 46 - H ALA 89 lone 8 100 - 8 - 7425/4.5=2, 3869/3.6=2 H LYS 47 - H ALA 89 lone 8 100 - 8 - 3869/3.6=2, 7425/4.5=2 HD22 ASN 26 - H ALA 89 lone 3 100 - 3 - HE ARG 19 - H ALA 89 lone 1 65 - 1 - Peak 7410 from nnoeabs.peaks (8.05, 8.05, 114.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 90 + H LYS 90 OK 100 100 - 100 Peak 7411 from nnoeabs.peaks (7.57, 8.05, 114.83 ppm; 5.33 A): 2 out of 4 assignments used, quality = 0.98: * H GLU 88 + H LYS 90 OK 94 100 - 94 - 3.6/9951=42, 4.6/7408=32...(21) H LYS 24 + H LYS 90 OK 69 100 - 69 - 3.0/9950=16, 7398=14...(20) H ILE 76 - H LYS 90 OK 30 90 - 33 - 4.0/9627=15, 4.7/9630=4...(8) H LEU 14 - H LYS 90 OK 25 61 - 40 - 9937/3.6=8, 4.8/9943=6...(13) Peak 7412 from nnoeabs.peaks (3.66, 8.05, 114.83 ppm; 3.47 A): 2 out of 2 assignments used, quality = 0.97: HA LYS 90 + H LYS 90 OK 92 92 - 100 - 3.0=100 * HA GLU 88 + H LYS 90 OK 68 100 - 69 - 3.6/7408=20, 3869/4.6=9...(24) Peak 7413 from nnoeabs.peaks (7.42, 8.05, 114.83 ppm; 3.23 A): 2 out of 3 assignments used, quality = 0.81: * H ALA 89 + H LYS 90 OK 76 100 - 76 - 7408=41, 2.9/3910=20...(14) HE3 TRP 92 + H LYS 90 OK 22 98 - 23 - 5.9/7453=6, 3900/3.6=6...(4) HE22 GLN 72 - H LYS 90 lone 4 73 - 5 - 3900/3.6=1 Peak 7414 from nnoeabs.peaks (3.90, 8.05, 114.83 ppm; 3.97 A): 2 out of 8 assignments used, quality = 1.00: * HA ALA 89 + H LYS 90 OK 100 100 - 100 - 3.6=100 HA ARG 91 + H LYS 90 OK 57 84 - 68 - 3.0/7431=28, 3.6/7453=23...(13) HB2 SER 85 - H LYS 90 OK 22 100 - 22 - 7406/4.5=4, 3908/3.6=3...(6) HA GLU 63 - H LYS 90 OK 18 84 - 22 - 2.9/10977=15, 3.8/9945=2...(4) HA3 GLY 101 - H LYS 90 OK 10 96 - 11 - 4450=1, 7430/4.6=1, 3.0/7634=1 HB2 SER 102 - H LYS 90 lone 10 97 - 10 - 4456=2, 1.8/4461=2...(4) HA GLU 35 - H LYS 90 lone 8 81 - 10 - 7430/4.6=2, 3.0/9944=1...(4) HA GLU 43 - H LYS 90 lone 5 65 - 7 - 7441/4.6=1 Peak 7415 from nnoeabs.peaks (1.34, 8.05, 114.83 ppm; 3.10 A): 5 out of 10 assignments used, quality = 0.88: * QB ALA 89 + H LYS 90 OK 77 100 - 77 - 3.6=62, 2.9/7408=20...(9) HG LEU 14 + H LYS 90 OK 21 90 - 24 - 8404/4.5=3, 3902/3.6=3...(10) HG3 LYS 68 + H LYS 90 OK 12 92 - 13 - 2.9/7418=4, 3034/4.1=2...(4) HG2 LYS 94 + H LYS 90 OK 12 100 - 12 - 10991/4.6=2, 8551/8537=1...(4) QB ALA 25 + H LYS 90 OK 12 100 - 12 - 4.8/9950=3, 7407/4.5=2 HG2 LYS 39 - H LYS 90 lone 6 98 - 7 - HB3 LEU 2 - H LYS 90 lone 6 98 - 6 - 3902/3.6=1 HB3 LEU 27 - H LYS 90 lone 6 99 - 6 - 3.1/9942=1 HB2 LYS 82 - H LYS 90 lone 5 99 - 5 - QB ALA 67 - H LYS 90 lone 4 100 - 4 - Peak 7416 from nnoeabs.peaks (3.67, 8.05, 114.83 ppm; 3.41 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 90 + H LYS 90 OK 100 100 - 100 - 3.0=100 HA GLU 88 + H LYS 90 OK 61 92 - 67 - 3.6/7408=20, 10787/3.6=7...(24) HB THR 80 - H LYS 90 OK 22 92 - 24 - 2.1/9941=6, 10787/3.6=2...(9) HA LEU 14 - H LYS 90 OK 22 84 - 26 - 4.0/9943=3, 4.3/7415=3...(10) Peak 7417 from nnoeabs.peaks (1.81, 8.05, 114.83 ppm; 3.02 A): 4 out of 8 assignments used, quality = 0.94: * HB2 LYS 90 + H LYS 90 OK 79 100 - 79 - 4.1=41, 1.8/3935=15...(16) HB2 GLU 88 + H LYS 90 OK 48 100 - 48 - 4.3/7408=12, 3.0/7412=9...(15) HB ILE 93 + H LYS 90 OK 30 94 - 32 - 4129/3.0=8, 3.2/9942=4...(13) HB2 LEU 42 + H LYS 90 OK 26 99 - 26 - 1.8/7419=5, 3913/3.0=3...(9) HB2 GLU 104 - H LYS 90 OK 12 100 - 12 - 3878/4.5=2, 3873/3.0=2...(4) HG2 ARG 46 - H LYS 90 OK 11 84 - 13 - 3.6/7425=3, 7433/4.6=2...(5) HB3 LEU 57 - H LYS 90 poor 10 87 - 11 - 12135/3.6=2, 10973/3.6=2 HB2 LYS 39 - H LYS 90 lone 6 81 - 7 - Peak 7418 from nnoeabs.peaks (1.83, 8.05, 114.83 ppm; 3.11 A): 5 out of 5 assignments used, quality = 0.91: * HB3 LYS 90 + H LYS 90 OK 82 100 - 82 - 4.1=45, 1.8/3924=21...(13) HB2 LYS 68 + H LYS 90 OK 26 99 - 26 - 3935=7, 3914/3.0=4...(10) HG2 ARG 46 + H LYS 90 OK 16 94 - 18 - 7434/4.6=3, 3.6/7425=3...(6) HB2 LYS 53 + H LYS 90 OK 15 97 - 16 - 3914/3.0=3, 3927/4.1=2...(8) HB3 LEU 57 + H LYS 90 OK 11 92 - 12 - 3914/3.0=2, 12135/3.6=1...(4) Peak 7419 from nnoeabs.peaks (1.29, 8.05, 114.83 ppm; 3.34 A): 4 out of 4 assignments used, quality = 0.92: * HG2 LYS 90 + H LYS 90 OK 84 100 - 84 - 4.9=31, 2.8/3924=18...(18) HB3 LEU 42 + H LYS 90 OK 24 73 - 32 - 1.8/7417=5, 3915/3.0=4...(13) HG2 ARG 30 + H LYS 90 OK 20 97 - 21 - 3915/3.0=4, 3928/4.1=3...(7) HG LEU 3 + H LYS 90 OK 15 87 - 17 - 3915/3.0=3, 2.1/12307=3...(7) Peak 7420 from nnoeabs.peaks (1.58, 8.05, 114.83 ppm; 3.44 A): 4 out of 14 assignments used, quality = 0.92: * HG3 LYS 90 + H LYS 90 OK 86 100 - 86 - 4.9=34, 1.8/7419=22...(16) HG2 LYS 24 + H LYS 90 OK 30 100 - 30 - 3.7/9950=6, 3957=5...(13) HG3 LYS 12 + H LYS 90 OK 13 92 - 14 - 3916/3.0=2, 3929/4.1=2...(6) HD3 LYS 94 + H LYS 90 OK 11 81 - 14 - 3.0/7415=2, 3916/3.0=2...(5) HB2 ARG 30 - H LYS 90 poor 8 61 - 12 - 2.9/7419=4, ~3915=2...(5) HB2 LEU 103 - H LYS 90 lone 7 100 - 7 - 3916/3.0=1 HG LEU 27 - H LYS 90 lone 6 81 - 8 - 2.1/9942=2, 3.0/7415=1 HG LEU 103 - H LYS 90 lone 6 100 - 6 - HG2 ARG 19 - H LYS 90 lone 6 100 - 6 - HG3 LYS 73 - H LYS 90 lone 5 81 - 7 - 4.0/7424=1 HD2 LYS 66 - H LYS 90 lone 5 70 - 7 - HB3 LEU 29 - H LYS 90 lone 5 87 - 5 - HD3 LYS 82 - H LYS 90 lone 2 65 - 4 - HB2 ARG 79 - H LYS 90 lone 1 73 - 2 - Peak 7421 from nnoeabs.peaks (1.74, 8.05, 114.83 ppm; 4.02 A): 2 out of 6 assignments used, quality = 0.95: * HD2 LYS 90 + H LYS 90 OK 91 100 - 91 - 6.1=28, 2.9/7419=21...(18) HB ILE 15 + H LYS 90 OK 39 92 - 43 - 3917/3.0=7, 3930/4.1=6...(15) HB2 GLU 28 - H LYS 90 OK 17 100 - 17 - 3917/3.0=3, 3930/4.1=3...(6) HD3 LYS 33 - H LYS 90 poor 8 77 - 10 - 3917/3.0=2, 3930/4.1=2...(5) HD2 LYS 33 - H LYS 90 poor 8 77 - 10 - 3917/3.0=2, 3930/4.1=2...(5) HD2 ARG 81 - H LYS 90 lone 5 81 - 7 - 3917/3.0=1 Peak 7422 from nnoeabs.peaks (1.70, 8.05, 114.83 ppm; 3.99 A): 3 out of 19 assignments used, quality = 0.97: * HD3 LYS 90 + H LYS 90 OK 91 100 - 91 - 6.1=28, 2.9/7419=21...(19) HB3 ARG 91 + H LYS 90 OK 48 81 - 60 - 3.9/7431=22, 4.3/7453=19...(12) HG2 PRO 86 + H LYS 90 OK 45 99 - 45 - 3.8/9852=13, 9887/3.0=7...(13) HG12 ILE 15 - H LYS 90 OK 40 100 - 41 - 3979=7, 2.9/7421=7...(15) HD3 LYS 24 - H LYS 90 OK 28 100 - 28 - 4.9/9950=6, 3.0/7420=5...(10) HD2 LYS 24 - H LYS 90 OK 28 100 - 28 - 4.9/9950=6, 3.0/7420=5...(10) HD3 LYS 12 - H LYS 90 OK 22 99 - 22 - 3979=3, 3.0/7420=2...(9) HD2 LYS 12 - H LYS 90 OK 22 99 - 22 - 3979=3, 3.0/7420=2...(9) HB3 LYS 53 - H LYS 90 OK 22 90 - 25 - 1.8/7418=5, 2406/4.1=4...(8) HB2 LEU 2 - H LYS 90 OK 12 99 - 12 - 1.8/7415=2, 55/3.6=2 HD3 LYS 66 - H LYS 90 OK 10 99 - 10 - 7438/4.6=1, 2942/9852=1 HD3 LYS 47 - H LYS 90 poor 8 77 - 11 - 7438/4.6=2, 6.3/7425=2...(4) HD2 LYS 47 - H LYS 90 poor 8 73 - 11 - 6.3/7425=2, 7438/4.6=2...(4) HD2 LYS 13 - H LYS 90 lone 7 99 - 6 - HD3 LYS 13 - H LYS 90 lone 6 98 - 6 - HG LEU 70 - H LYS 90 lone 6 100 - 6 - HB3 LYS 40 - H LYS 90 lone 3 84 - 3 - HD2 LYS 20 - H LYS 90 lone 3 61 - 4 - HB3 LEU 70 - H LYS 90 lone 2 61 - 4 - Peak 7423 from nnoeabs.peaks (2.81, 8.05, 114.83 ppm; 5.20 A): 1 out of 2 assignments used, quality = 0.96: * HE2 LYS 90 + H LYS 90 OK 96 100 - 96 - 7.0=42, 3.8/7419=25...(17) HE2 LYS 53 - H LYS 90 OK 20 61 - 32 - 3932/4.1=7, 3954/4.9=6...(9) Peak 7424 from nnoeabs.peaks (2.94, 8.05, 114.83 ppm; 4.81 A): 2 out of 7 assignments used, quality = 0.99: * HE3 LYS 90 + H LYS 90 OK 94 100 - 94 - 7.0=33, 1.8/7423=29...(16) HG2 MET 21 + H LYS 90 OK 81 99 - 81 - 3.4/8537=25, 8546/3.0=22...(20) HE3 LYS 73 - H LYS 90 OK 18 92 - 19 - 3933/4.1=3, 3920/3.0=3...(8) HE2 LYS 94 - H LYS 90 OK 15 73 - 21 - 3.9/7415=3, 3920/3.0=3...(9) HE2 LYS 73 - H LYS 90 OK 13 77 - 16 - 3933/4.1=2, 3920/3.0=2...(8) HB2 ASN 10 - H LYS 90 OK 10 96 - 10 - 3920/3.0=1, 3933/4.1=1 HB2 ASN 51 - H LYS 90 poor 10 92 - 10 - 997/8537=2, 3920/3.0=2 Peak 7425 from nnoeabs.peaks (7.47, 8.05, 114.83 ppm; 3.32 A): 3 out of 5 assignments used, quality = 0.89: * H ARG 91 + H LYS 90 OK 82 100 - 82 - 7431=38, 7429/4.5=14...(19) HE ARG 46 + H LYS 90 OK 22 100 - 22 - 11042/4.1=4, 3921/3.0=4...(9) H LYS 47 + H LYS 90 OK 20 100 - 20 - 3921/3.0=3, 6765/4.1=3...(8) HD22 ASN 26 - H LYS 90 lone 9 100 - 8 - 3921/3.0=1, 3934/4.1=1 HE ARG 19 - H LYS 90 lone 3 65 - 4 - Peak 7426 from nnoeabs.peaks (8.14, 8.05, 114.83 ppm; 4.23 A): 2 out of 4 assignments used, quality = 0.96: H ASP 87 + H LYS 90 OK 84 99 - 85 - 2.9/9951=34, 10963=29...(15) * H TRP 92 + H LYS 90 OK 77 100 - 77 - 7453=39, 4.6/7431=20...(13) H GLY 100 - H LYS 90 OK 18 100 - 18 - 7448/4.6=3, 10978/3.0=3...(6) H HIS 106 - H LYS 90 lone 1 65 - 2 - Peak 7427 from nnoeabs.peaks (7.47, 7.47, 119.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 91 + H ARG 91 OK 100 100 - 100 Peak 7428 from nnoeabs.peaks (3.66, 7.47, 119.03 ppm; 3.43 A): 2 out of 2 assignments used, quality = 0.97: HA LYS 90 + H ARG 91 OK 89 92 - 97 - 3.6=89, 3.0/7431=22...(23) * HA GLU 88 + H ARG 91 OK 74 100 - 74 - 3.6/7429=22, 3869=17...(19) Peak 7429 from nnoeabs.peaks (7.42, 7.47, 119.03 ppm; 2.72 A): 2 out of 3 assignments used, quality = 0.63: * H ALA 89 + H ARG 91 OK 58 100 - 58 - 7409=33, 7408/4.6=8...(11) HE3 TRP 92 + H ARG 91 OK 11 98 - 12 - 7467/4.6=4, 4.8/10983=3 HE22 GLN 72 - H ARG 91 lone 1 73 - 2 - Peak 7430 from nnoeabs.peaks (3.90, 7.47, 119.03 ppm; 3.15 A): 2 out of 8 assignments used, quality = 0.93: HA ARG 91 + H ARG 91 OK 84 84 - 100 - 3.0=100 * HA ALA 89 + H ARG 91 OK 56 100 - 56 - 3.0/7429=23, 3.6/7431=15...(10) HB2 SER 85 - H ARG 91 OK 15 100 - 15 - 9846/4.6=3, 7406/7429=2...(5) HA GLU 35 - H ARG 91 OK 14 81 - 17 - 4012=2, 4026/3.9=2...(4) HA GLU 43 - H ARG 91 OK 12 65 - 18 - 3.0/12311=2, 4012=2...(4) HA3 GLY 101 - H ARG 91 OK 11 96 - 12 - 3.6/7431=3, 7452/4.6=1 HB2 SER 102 - H ARG 91 lone 6 97 - 6 - 4.0/7431=3 HA GLU 63 - H ARG 91 lone 3 84 - 3 - Peak 7431 from nnoeabs.peaks (8.05, 7.47, 119.03 ppm; 3.17 A): 2 out of 3 assignments used, quality = 0.81: * H LYS 90 + H ARG 91 OK 77 100 - 77 - 4.6=32, 4.5/7429=13...(19) H SER 102 + H ARG 91 OK 16 84 - 18 - 3911/3.6=3, 3924/4.1=3...(6) H GLU 17 - H ARG 91 poor 8 70 - 12 - 3911/3.6=3, 3924/4.1=2 Peak 7432 from nnoeabs.peaks (3.67, 7.47, 119.03 ppm; 3.44 A): 2 out of 4 assignments used, quality = 0.99: * HA LYS 90 + H ARG 91 OK 97 100 - 97 - 3.6=89, 3.0/7431=22...(23) HA GLU 88 + H ARG 91 OK 65 92 - 71 - 3.6/7429=22, 3869=15...(19) HB THR 80 - H ARG 91 OK 11 92 - 12 - 3925/4.1=2, 7416/4.6=2...(4) HA LEU 14 - H ARG 91 poor 9 84 - 10 - 7416/4.6=2, 3925/4.1=1 Peak 7433 from nnoeabs.peaks (1.81, 7.47, 119.03 ppm; 3.17 A): 4 out of 8 assignments used, quality = 0.94: * HB2 LYS 90 + H ARG 91 OK 77 100 - 77 - 4.1=45, 4.1/7431=13...(14) HB2 GLU 88 + H ARG 91 OK 44 100 - 44 - 4.3/7429=14, 3.0/3869=10...(11) HG2 ARG 46 + H ARG 91 OK 31 84 - 37 - 3.0/2085=4, 1.8/2103=4...(18) HB ILE 93 + H ARG 91 OK 28 94 - 30 - 4129/3.6=7, 3.9/7449=6...(9) HB2 LEU 42 - H ARG 91 OK 16 99 - 16 - 1.8/7435=3, 3913/3.6=2...(5) HB3 LEU 57 - H ARG 91 OK 11 87 - 12 - 3.0/7442=1, ~10698=1 HB2 GLU 104 - H ARG 91 lone 9 100 - 9 - 3873/3.6=2, 3878/7429=1 HB2 LYS 39 - H ARG 91 lone 6 81 - 7 - Peak 7434 from nnoeabs.peaks (1.83, 7.47, 119.03 ppm; 3.30 A): 5 out of 5 assignments used, quality = 0.93: * HB3 LYS 90 + H ARG 91 OK 81 100 - 81 - 4.1=51, 4.1/7431=14...(12) HG2 ARG 46 + H ARG 91 OK 40 94 - 43 - 1.8/2103=5, 3.0/2085=5...(20) HB2 LYS 68 + H ARG 91 OK 18 99 - 18 - 3914/3.6=4, 3927/4.1=3...(5) HB2 LYS 53 + H ARG 91 OK 18 97 - 18 - 3914/3.6=3, 3927/4.1=2...(8) HB3 LEU 57 + H ARG 91 OK 13 92 - 14 - 3914/3.6=2, 3927/4.1=2...(6) Peak 7435 from nnoeabs.peaks (1.29, 7.47, 119.03 ppm; 4.21 A): 4 out of 4 assignments used, quality = 0.90: * HG2 LYS 90 + H ARG 91 OK 79 100 - 79 - 2.9/7437=20, 2.8/7434=19...(13) HG2 ARG 30 + H ARG 91 OK 29 97 - 30 - 3928/4.1=5, 3915/3.6=5...(9) HB3 LEU 42 + H ARG 91 OK 21 73 - 29 - 3915/3.6=5, 3928/4.1=5...(8) HG LEU 3 + H ARG 91 OK 18 87 - 20 - 3915/3.6=4, 3928/4.1=4...(5) Peak 7436 from nnoeabs.peaks (1.58, 7.47, 119.03 ppm; 4.22 A): 9 out of 14 assignments used, quality = 0.95: * HG3 LYS 90 + H ARG 91 OK 79 100 - 79 - 1.8/7435=21, 2.9/7437=20...(11) HD3 LYS 94 + H ARG 91 OK 26 81 - 33 - 3.0/10991=6, 6.3/10980=6...(10) HG2 LYS 24 + H ARG 91 OK 25 100 - 25 - 7420/4.6=4, 3916/3.6=4...(10) HG3 LYS 12 + H ARG 91 OK 16 92 - 18 - 3929/4.1=3, 3916/3.6=2...(7) HD2 LYS 66 + H ARG 91 OK 14 70 - 21 - 2.9/7442=3, 2.9/7442=3...(5) HB2 ARG 30 + H ARG 91 OK 12 61 - 19 - 2.9/7435=6, 3.6/7447=4...(4) HD3 LYS 82 + H ARG 91 OK 10 65 - 16 - 2.9/7444=4, 1.8/7445=3...(5) HG2 ARG 19 + H ARG 91 OK 10 100 - 10 - 12291/6.1=2, 3916/3.6=1 HG LEU 27 + H ARG 91 OK 10 81 - 12 - 2.1/9955=2, 3.0/10991=2...(4) HG3 LYS 73 - H ARG 91 poor 9 81 - 11 - 1.8/7442=2, 3916/3.6=1 HB2 LEU 103 - H ARG 91 lone 8 100 - 7 - 3929/4.1=1, 3916/3.6=1 HG LEU 103 - H ARG 91 lone 7 100 - 7 - 3916/3.6=1, 3929/4.1=1 HB3 LEU 29 - H ARG 91 lone 6 87 - 7 - 3929/4.1=1 HB2 ARG 79 - H ARG 91 lone 2 73 - 3 - Peak 7437 from nnoeabs.peaks (1.74, 7.47, 119.03 ppm; 3.77 A): 3 out of 6 assignments used, quality = 0.78: * HD2 LYS 90 + H ARG 91 OK 67 100 - 67 - 2.9/7435=13, 3930/4.1=13...(10) HB ILE 15 + H ARG 91 OK 25 92 - 28 - 3917/3.6=6, 3930/4.1=5...(8) HB2 GLU 28 + H ARG 91 OK 10 100 - 10 - 3917/3.6=3, 3930/4.1=2...(4) HD3 LYS 33 - H ARG 91 lone 5 77 - 6 - 3917/3.6=1, 3930/4.1=1 HD2 LYS 33 - H ARG 91 lone 5 77 - 6 - 3917/3.6=1, 3930/4.1=1 HD2 ARG 81 - H ARG 91 lone 5 81 - 6 - Peak 7438 from nnoeabs.peaks (1.70, 7.47, 119.03 ppm; 3.19 A): 4 out of 19 assignments used, quality = 0.91: HB3 ARG 91 + H ARG 91 OK 65 81 - 81 - 3.9=55, 1.8/7442=16...(16) * HD3 LYS 90 + H ARG 91 OK 56 100 - 57 - 1.8/7437=15, 3989=11...(9) HD3 LYS 47 + H ARG 91 OK 25 77 - 33 - 3.0/2168=5, 3.0/7442=5...(13) HD2 LYS 47 + H ARG 91 OK 24 73 - 33 - 3.0/2168=5, 3.0/7442=5...(13) HG12 ILE 15 - H ARG 91 OK 20 100 - 20 - 2.9/7437=4, 3989=4...(7) HG2 PRO 86 - H ARG 91 OK 17 99 - 17 - 2.3/10990=4, 9887/3.6=4...(5) HD3 LYS 66 - H ARG 91 OK 16 99 - 17 - 10781/4.8=4, 2.9/7442=2...(6) HB3 LYS 53 - H ARG 91 OK 16 90 - 18 - 1.8/7434=3, 2406/4.1=3...(6) HD2 LYS 12 - H ARG 91 OK 11 99 - 11 - 3989=2, 1.8/3989=1...(4) HD3 LYS 12 - H ARG 91 OK 11 99 - 11 - 3989=2, 1.8/3989=1...(4) HD2 LYS 24 - H ARG 91 lone 9 100 - 9 - 3.0/7436=2, 3931/4.1=1 HD3 LYS 24 - H ARG 91 lone 9 100 - 9 - 3.0/7436=2, 3931/4.1=1 HB2 LEU 2 - H ARG 91 lone 6 99 - 6 - 1.8/10991=1 HD2 LYS 20 - H ARG 91 poor 6 61 - 10 - 2.8/7445=1 HG LEU 70 - H ARG 91 lone 5 100 - 5 - HD2 LYS 13 - H ARG 91 lone 4 99 - 4 - HB3 LYS 40 - H ARG 91 lone 4 84 - 4 - HD3 LYS 13 - H ARG 91 lone 3 98 - 3 - HB3 LEU 70 - H ARG 91 lone 2 61 - 4 - 4.1/10980=2 Peak 7441 from nnoeabs.peaks (3.89, 7.47, 119.03 ppm; 3.15 A): 2 out of 8 assignments used, quality = 1.00: * HA ARG 91 + H ARG 91 OK 100 100 - 100 - 3.0=100 HA ALA 89 + H ARG 91 OK 45 84 - 54 - 3.0/7429=23, 3.6/7431=15...(11) HA GLU 43 - H ARG 91 OK 21 99 - 22 - 4012=3, 3.0/12311=2...(5) HA GLU 35 - H ARG 91 OK 20 100 - 20 - 4012=3, 4026/3.9=2...(5) HA LEU 38 - H ARG 91 OK 13 81 - 16 - 3.0/7445=2, 4026/3.9=2...(5) HA3 GLY 101 - H ARG 91 OK 13 99 - 13 - 3.6/7431=3, 7456/4.6=1 HB2 SER 85 - H ARG 91 poor 9 77 - 11 - 9846/4.6=2, 7406/7429=1 HB2 SER 102 - H ARG 91 lone 7 98 - 7 - 4.0/7431=3 Peak 7442 from nnoeabs.peaks (1.49, 7.47, 119.03 ppm; 2.98 A): 4 out of 11 assignments used, quality = 0.85: * HB2 ARG 91 + H ARG 91 OK 72 100 - 72 - 3.9=45, 1.8/7443=8...(14) HG2 LYS 47 + H ARG 91 OK 34 99 - 35 - 1.8/2168=6, 2157=4...(12) HG2 LYS 66 + H ARG 91 OK 11 99 - 11 - 4014/3.0=1, 2.9/7438=1 HG3 LYS 66 + H ARG 91 OK 11 97 - 11 - 9508/3.0=1, 2.9/7438=1 HG LEU 57 - H ARG 91 lone 7 77 - 10 - 3.0/7434=2, ~10698=1, ~10697=1 HG3 LYS 53 - H ARG 91 poor 7 65 - 11 - 3.0/7434=2, 1.8/7445=2...(4) HG LEU 64 - H ARG 91 lone 7 98 - 7 - 10245/3.6=2 HG2 LYS 73 - H ARG 91 lone 6 98 - 6 - HB3 LEU 64 - H ARG 91 lone 5 99 - 5 - HG3 LYS 13 - H ARG 91 lone 4 90 - 5 - HG3 LYS 33 - H ARG 91 lone 2 65 - 3 - Peak 7443 from nnoeabs.peaks (1.68, 7.47, 119.03 ppm; 2.99 A): 4 out of 22 assignments used, quality = 0.93: * HB3 ARG 91 + H ARG 91 OK 75 100 - 75 - 3.9=45, 1.8/7442=15...(15) HD3 LYS 90 + H ARG 91 OK 39 81 - 48 - 1.8/7437=13, 3.6/7434=8...(9) HD3 LYS 47 + H ARG 91 OK 31 100 - 32 - 3.0/2168=5, 3.0/7442=5...(13) HD2 LYS 47 + H ARG 91 OK 31 100 - 32 - 3.0/2168=5, 3.0/7442=5...(13) HB3 LYS 53 - H ARG 91 OK 16 100 - 16 - 1.8/7434=3, 2406/4.1=3...(5) HG12 ILE 15 - H ARG 91 OK 13 90 - 15 - 2.9/7437=4, 3989=2...(7) HG2 PRO 86 - H ARG 91 OK 13 92 - 14 - 2.3/10990=3, 9887/3.6=3 HD2 LYS 20 - H ARG 91 OK 11 99 - 11 - 2.8/7445=1, 2179=1 HD3 LYS 20 - H ARG 91 poor 10 96 - 10 - 2.8/7445=1 HG3 LYS 20 - H ARG 91 lone 10 96 - 10 - 1.8/7445=2, 4028/3.9=1 HD3 LYS 66 - H ARG 91 poor 6 61 - 10 - 2.9/7442=2, 2.9/7442=2 HD2 LYS 24 - H ARG 91 lone 6 84 - 7 - 3.0/7436=2 HD3 LYS 24 - H ARG 91 lone 6 81 - 7 - 3.0/7436=2 HD2 LYS 12 - H ARG 91 lone 6 65 - 8 - 1.8/3989=1, 3.0/7436=1 HD3 LYS 12 - H ARG 91 lone 6 65 - 8 - 1.8/3989=1, 3.0/7436=1 HB ILE 52 - H ARG 91 lone 4 87 - 5 - HB3 LYS 40 - H ARG 91 lone 4 100 - 4 - HD2 LYS 73 - H ARG 91 lone 3 77 - 4 - HB2 LEU 2 - H ARG 91 lone 3 61 - 5 - 1.8/10991=1 HD3 LYS 73 - H ARG 91 lone 3 70 - 4 - HG LEU 70 - H ARG 91 lone 2 73 - 3 - HD2 LYS 13 - H ARG 91 lone 2 65 - 3 - Peak 7444 from nnoeabs.peaks (1.08, 7.47, 119.03 ppm; 4.31 A): 2 out of 3 assignments used, quality = 0.97: * HG2 ARG 91 + H ARG 91 OK 94 100 - 94 - 4.8=75, 2.8/4025=20...(15) HG12 ILE 76 + H ARG 91 OK 47 90 - 52 - 4029/3.9=9, 4016/3.0=7...(18) HG2 LYS 82 - H ARG 91 OK 21 77 - 27 - 4029/3.9=4, 4016/3.0=3...(11) Peak 7445 from nnoeabs.peaks (1.45, 7.47, 119.03 ppm; 3.02 A): 7 out of 17 assignments used, quality = 0.83: * HG3 ARG 91 + H ARG 91 OK 61 100 - 61 - 4.8=26, 2.8/7442=11...(11) HB2 LEU 38 + H ARG 91 OK 15 100 - 16 - 4030/3.9=2, 1627/3.0=2...(4) HG LEU 38 + H ARG 91 OK 15 97 - 15 - 4053=2, 4030/3.9=2, 4054/3.0=1 HD2 LYS 53 + H ARG 91 OK 13 97 - 14 - 2439/4.1=2, 3.6/7434=2...(6) HG13 ILE 76 + H ARG 91 OK 13 73 - 17 - 1.8/7444=5, ~4016=2...(6) HG2 LYS 53 + H ARG 91 OK 11 90 - 12 - 3.0/7434=2, 1.8/7442=2...(4) HD2 LYS 82 + H ARG 91 OK 10 97 - 10 - 2.9/7444=2, 3.5/10991=1 HG2 LYS 20 - H ARG 91 lone 9 99 - 10 - 4030/3.9=1, 1.8/7443=1 HG3 LYS 53 - H ARG 91 lone 6 73 - 9 - 3.0/7434=2, 3.0/7443=1 HG13 ILE 52 - H ARG 91 lone 6 99 - 6 - HB2 LEU 27 - H ARG 91 lone 5 99 - 5 - 1.8/10991=1 HG2 LYS 12 - H ARG 91 lone 5 97 - 5 - 1.8/7436=1 HG3 LYS 39 - H ARG 91 lone 4 90 - 5 - HD2 LYS 40 - H ARG 91 lone 3 87 - 4 - HD3 LYS 40 - H ARG 91 lone 3 84 - 4 - QB ALA 22 - H ARG 91 lone 2 70 - 3 - 3.6/10980=1 HG LEU 29 - H ARG 91 lone 2 70 - 2 - Peak 7446 from nnoeabs.peaks (2.49, 7.47, 119.03 ppm; 5.12 A): 3 out of 7 assignments used, quality = 0.99: * HD2 ARG 91 + H ARG 91 OK 94 100 - 94 - 6.1=58, 2.9/7444=24...(18) HB2 ASP 87 + H ARG 91 OK 60 90 - 67 - 3.0/9963=35, 4.0/7448=15...(17) HB3 ASP 87 + H ARG 91 OK 60 90 - 67 - 3.0/9963=35, 4.0/7448=15...(17) HG3 GLU 23 - H ARG 91 OK 38 99 - 39 - 10459/4.8=6, 4031/3.9=6...(14) HB2 ASP 36 - H ARG 91 lone 6 61 - 9 - HB3 ASP 36 - H ARG 91 lone 5 57 - 9 - HG3 GLU 98 - H ARG 91 lone 4 84 - 4 - Peak 7447 from nnoeabs.peaks (2.66, 7.47, 119.03 ppm; 5.41 A): 1 out of 3 assignments used, quality = 0.95: * HD3 ARG 91 + H ARG 91 OK 95 100 - 95 - 6.1=69, 2.9/7444=25...(16) HD2 ARG 30 - H ARG 91 OK 34 90 - 38 - 3.0/7435=9, 4032/3.9=7...(10) HB3 ASN 51 - H ARG 91 OK 28 84 - 33 - 4032/3.9=8, 4051/4.8=7...(7) Peak 7448 from nnoeabs.peaks (8.14, 7.47, 119.03 ppm; 3.24 A): 3 out of 4 assignments used, quality = 0.88: * H TRP 92 + H ARG 91 OK 71 100 - 71 - 4.6=34, 7453/4.6=11...(16) H ASP 87 + H ARG 91 OK 52 99 - 52 - 2.9/9963=14, 10963/4.6=8...(15) H GLY 100 + H ARG 91 OK 16 100 - 16 - 4033/3.9=2, 4020/3.0=2...(9) H HIS 106 - H ARG 91 lone 1 65 - 2 - Peak 7449 from nnoeabs.peaks (8.36, 7.47, 119.03 ppm; 4.79 A): 3 out of 3 assignments used, quality = 0.89: * H ILE 93 + H ARG 91 OK 75 100 - 75 - 4.7/7455=20, 7480=19...(15) H GLU 95 + H ARG 91 OK 49 100 - 49 - 4.6/10980=11...(11) H TYR 4 + H ARG 91 OK 17 100 - 17 - 3922/3.6=4, 7472/4.6=3...(4) Peak 7450 from nnoeabs.peaks (8.14, 8.14, 118.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TRP 92 + H TRP 92 OK 100 100 - 100 Peak 7451 from nnoeabs.peaks (3.66, 8.14, 118.10 ppm; 4.43 A): 2 out of 2 assignments used, quality = 0.92: * HA GLU 88 + H TRP 92 OK 72 100 - 73 - 4024/4.3=16, 3.6/7467=15...(20) HA LYS 90 + H TRP 92 OK 71 92 - 77 - 3.0/7453=31, 3.6/7455=22...(18) Peak 7452 from nnoeabs.peaks (3.90, 8.14, 118.10 ppm; 3.65 A): 2 out of 8 assignments used, quality = 0.96: HA ARG 91 + H TRP 92 OK 84 84 - 100 - 3.6=100 * HA ALA 89 + H TRP 92 OK 72 100 - 73 - 3.6/7453=20, 3905/4.0=14...(16) HB2 SER 85 - H TRP 92 OK 34 100 - 35 - 9846=8, 1.8/9849=8...(11) HA3 GLY 101 - H TRP 92 OK 20 96 - 21 - 3.0/7629=5, 3.6/7453=4...(7) HA GLU 35 - H TRP 92 OK 11 81 - 14 - 4026/4.3=2, 4020=2...(4) HB2 SER 102 - H TRP 92 lone 9 97 - 9 - 4.0/7453=4 HA GLU 43 - H TRP 92 poor 8 65 - 13 - 4020=2, 4026/4.3=2...(5) HA GLU 63 - H TRP 92 lone 5 84 - 6 - Peak 7453 from nnoeabs.peaks (8.05, 8.14, 118.10 ppm; 3.51 A): 2 out of 3 assignments used, quality = 0.59: * H LYS 90 + H TRP 92 OK 54 100 - 54 - 7431/4.6=13, 7426=12...(12) H SER 102 + H TRP 92 OK 11 84 - 13 - 7431/4.6=3, 4.6/7629=3...(4) H GLU 17 - H TRP 92 lone 3 70 - 5 - 7431/4.6=1 Peak 7454 from nnoeabs.peaks (3.67, 8.14, 118.10 ppm; 4.33 A): 4 out of 4 assignments used, quality = 0.93: * HA LYS 90 + H TRP 92 OK 76 100 - 76 - 3.0/7453=30, 3.6/7455=22...(18) HA GLU 88 + H TRP 92 OK 61 92 - 67 - 3.6/7467=14, 4024/4.3=14...(19) HB THR 80 + H TRP 92 OK 15 92 - 16 - 2.1/10993=5, 7479/4.7=2...(4) HA LEU 14 + H TRP 92 OK 11 84 - 13 - 4.3/10994=2, 7416/7453=1...(6) Peak 7455 from nnoeabs.peaks (7.47, 8.14, 118.10 ppm; 3.30 A): 3 out of 5 assignments used, quality = 0.82: * H ARG 91 + H TRP 92 OK 72 100 - 73 - 4.6=36, 4.6/7453=11...(17) H LYS 47 + H TRP 92 OK 20 100 - 21 - 4025/4.3=4, 6757/3.6=4...(6) HE ARG 46 + H TRP 92 OK 19 100 - 19 - 2.9/7465=5, 11040/4.0=2...(7) HD22 ASN 26 - H TRP 92 lone 5 100 - 5 - HE ARG 19 - H TRP 92 lone 2 65 - 3 - Peak 7456 from nnoeabs.peaks (3.89, 8.14, 118.10 ppm; 3.65 A): 2 out of 8 assignments used, quality = 1.00: * HA ARG 91 + H TRP 92 OK 100 100 - 100 - 3.6=100 HA ALA 89 + H TRP 92 OK 55 84 - 66 - 3.6/7453=20, 3.0/7467=12...(16) HB2 SER 85 - H TRP 92 OK 23 77 - 30 - 1.8/9849=8, 9846=5...(8) HA3 GLY 101 - H TRP 92 OK 21 99 - 21 - 3.0/7629=5, 3.6/7453=4...(7) HA GLU 35 - H TRP 92 OK 17 100 - 17 - 4020=3, 4026/4.3=3...(5) HA GLU 43 - H TRP 92 OK 16 99 - 17 - 4020=3, 4026/4.3=2...(5) HA LEU 38 - H TRP 92 poor 9 81 - 11 - 4026/4.3=2, 3.0/7460=2...(5) HB2 SER 102 - H TRP 92 lone 9 98 - 9 - 4.0/7453=4 Peak 7457 from nnoeabs.peaks (1.49, 8.14, 118.10 ppm; 3.36 A): 2 out of 11 assignments used, quality = 0.76: * HB2 ARG 91 + H TRP 92 OK 72 100 - 72 - 4.3=48, 3.9/7455=12...(10) HG2 LYS 47 + H TRP 92 OK 15 99 - 15 - 7442/4.6=3, 4014/3.6=3...(5) HG LEU 57 - H TRP 92 poor 9 77 - 11 - 2.1/9983=8 HG2 LYS 66 - H TRP 92 lone 7 99 - 7 - 9508/3.6=1, 7442/4.6=1 HG3 LYS 66 - H TRP 92 lone 6 97 - 6 - 9508/3.6=2, 7442/4.6=1 HG LEU 64 - H TRP 92 lone 5 98 - 6 - HB3 LEU 64 - H TRP 92 lone 5 99 - 5 - HG3 LYS 53 - H TRP 92 lone 5 65 - 7 - 1.8/7460=2, 3.0/7460=1 HG2 LYS 73 - H TRP 92 lone 3 98 - 3 - HG3 LYS 13 - H TRP 92 lone 3 90 - 3 - HG3 LYS 33 - H TRP 92 lone 1 65 - 1 - Peak 7458 from nnoeabs.peaks (1.68, 8.14, 118.10 ppm; 3.63 A): 5 out of 22 assignments used, quality = 0.94: * HB3 ARG 91 + H TRP 92 OK 83 100 - 84 - 4.3=60, 1.8/7457=22...(10) HG2 PRO 86 + H TRP 92 OK 33 92 - 36 - 2.3/3830=7, 2.3/3822=7...(8) HD3 LYS 47 + H TRP 92 OK 20 100 - 20 - 3.0/7457=3, 4043=3...(7) HD2 LYS 47 + H TRP 92 OK 20 100 - 20 - 3.0/7457=3, 4043=3...(7) HD3 LYS 90 + H TRP 92 OK 18 81 - 22 - 6.1/7453=8, 5.2/7451=6...(4) HB3 LYS 53 - H TRP 92 lone 10 100 - 10 - 3.0/7460=1, 3.6/7460=1...(5) HD2 LYS 20 - H TRP 92 lone 10 99 - 10 - 2.8/7460=2, 4043=2...(4) HG3 LYS 20 - H TRP 92 lone 9 96 - 9 - 1.8/7460=2, 4028/4.3=1 HD3 LYS 20 - H TRP 92 lone 9 96 - 9 - 2.8/7460=2, 1.8/4043=1...(4) HB ILE 52 - H TRP 92 lone 7 87 - 7 - 2.1/9983=2, 3.0/7460=2 HB3 LYS 40 - H TRP 92 lone 5 100 - 5 - HD3 LYS 66 - H TRP 92 lone 5 61 - 8 - 2.9/7457=2, 2.9/7457=1 HG12 ILE 15 - H TRP 92 lone 4 90 - 5 - 3989/4.6=1 HD2 LYS 24 - H TRP 92 lone 4 84 - 4 - HD3 LYS 24 - H TRP 92 lone 3 81 - 4 - HG LEU 70 - H TRP 92 lone 3 73 - 4 - HD2 LYS 73 - H TRP 92 lone 2 77 - 3 - HD3 LYS 12 - H TRP 92 lone 2 65 - 3 - HD2 LYS 12 - H TRP 92 lone 2 65 - 3 - HB2 LEU 2 - H TRP 92 lone 2 61 - 3 - HD3 LYS 73 - H TRP 92 lone 2 70 - 3 - HD2 LYS 13 - H TRP 92 lone 2 65 - 3 - Peak 7459 from nnoeabs.peaks (1.08, 8.14, 118.10 ppm; 4.63 A): 3 out of 3 assignments used, quality = 0.89: * HG2 ARG 91 + H TRP 92 OK 77 100 - 77 - 2.8/7457=24, 4052=18...(10) HG12 ILE 76 + H TRP 92 OK 41 90 - 45 - 2.1/9983=10, 4029/4.3=9...(12) HG2 LYS 82 + H TRP 92 OK 18 77 - 23 - 4029/4.3=5, 7444/4.6=3...(8) Peak 7460 from nnoeabs.peaks (1.45, 8.14, 118.10 ppm; 3.43 A): 2 out of 17 assignments used, quality = 0.58: * HG3 ARG 91 + H TRP 92 OK 52 100 - 52 - 2.8/7457=16, 1.8/7459=11...(8) HG13 ILE 76 + H TRP 92 OK 13 73 - 18 - 1.8/7459=6, 2.1/9983=6...(5) HD2 LYS 82 - H TRP 92 poor 10 97 - 10 - 2.9/7459=2, 4030/4.3=1 HB2 LEU 38 - H TRP 92 lone 9 100 - 9 - 4030/4.3=2, 1627/3.6=2...(4) HG LEU 38 - H TRP 92 lone 9 97 - 9 - 4030/4.3=2, 7445/4.6=1...(4) HG2 LYS 20 - H TRP 92 lone 8 99 - 8 - 4030/4.3=2, 1.8/7458=1 HG13 ILE 52 - H TRP 92 lone 8 99 - 8 - 3.2/9983=2 HD2 LYS 53 - H TRP 92 lone 8 97 - 8 - 2440/4.3=1, 7445/4.6=1...(4) HG2 LYS 53 - H TRP 92 lone 7 90 - 8 - 1.8/7457=1, 4030/4.3=1 HB2 LEU 27 - H TRP 92 lone 4 99 - 4 - 3.1/9983=1 HG3 LYS 53 - H TRP 92 lone 4 73 - 5 - HD2 LYS 40 - H TRP 92 lone 3 87 - 4 - HD3 LYS 40 - H TRP 92 lone 3 84 - 4 - QB ALA 22 - H TRP 92 lone 3 70 - 4 - 3.6/7473=2 HG2 LYS 12 - H TRP 92 lone 2 97 - 2 - HG3 LYS 39 - H TRP 92 lone 2 90 - 3 - HG LEU 29 - H TRP 92 lone 1 70 - 1 - Peak 7463 from nnoeabs.peaks (4.82, 8.14, 118.10 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 92 + H TRP 92 OK 100 100 - 100 - 2.9=100 HA ASN 60 - H TRP 92 OK 26 97 - 26 - 4096/4.0=5, 4108/4.0=5...(9) Peak 7464 from nnoeabs.peaks (3.10, 8.14, 118.10 ppm; 3.37 A): 2 out of 3 assignments used, quality = 0.84: * HB2 TRP 92 + H TRP 92 OK 80 100 - 80 - 4.0=58, 1.8/7465=22...(11) HB2 PHE 96 + H TRP 92 OK 19 100 - 19 - 4082/2.9=6, 7484/4.7=6...(4) HD3 ARG 30 - H TRP 92 lone 2 70 - 3 - Peak 7465 from nnoeabs.peaks (3.19, 8.14, 118.10 ppm; 3.67 A): 2 out of 6 assignments used, quality = 0.93: * HB3 TRP 92 + H TRP 92 OK 90 100 - 90 - 4.0=75, 1.8/7464=32...(10) HD3 ARG 46 + H TRP 92 OK 27 100 - 27 - 2.9/7455=5, 4083/2.9=5...(7) HB2 HIS 106 - H TRP 92 lone 4 90 - 4 - HD2 ARG 19 - H TRP 92 lone 3 61 - 5 - 14639/5.9=1 HD3 ARG 19 - H TRP 92 lone 3 61 - 5 - 14639/5.9=1 HB2 ASP 77 - H TRP 92 lone 3 84 - 3 - Peak 7466 from nnoeabs.peaks (6.87, 8.14, 118.10 ppm; 4.01 A): 2 out of 5 assignments used, quality = 0.80: * HD1 TRP 92 + H TRP 92 OK 73 100 - 73 - 5.9=31, 3.9/7464=22...(11) HD21 ASN 60 + H TRP 92 OK 26 100 - 26 - 4084/2.9=7, 4099/4.0=5...(5) HE21 GLN 72 - H TRP 92 poor 9 65 - 13 - 1.7/7467=3, 4084/2.9=2...(5) HE1 TYR 41 - H TRP 92 lone 4 77 - 5 - HE2 TYR 41 - H TRP 92 lone 3 70 - 5 - Peak 7467 from nnoeabs.peaks (7.43, 8.14, 118.10 ppm; 3.88 A): 3 out of 3 assignments used, quality = 0.94: * HE3 TRP 92 + H TRP 92 OK 75 100 - 75 - 5.9=28, 10317/2.9=21...(14) H ALA 89 + H TRP 92 OK 73 98 - 75 - 7429/4.6=19, 4.5/7453=17...(17) HE22 GLN 72 + H TRP 92 OK 14 92 - 15 - 1.7/7466=3, 4112/4.0=2...(6) Peak 7468 from nnoeabs.peaks (10.29, 8.14, 118.10 ppm; 6.03 A): 1 out of 1 assignment used, quality = 0.89: * HE1 TRP 92 + H TRP 92 OK 89 100 - 89 - 7.5=51, 5.3/7464=32...(7) Peak 7472 from nnoeabs.peaks (8.36, 8.14, 118.10 ppm; 3.52 A): 3 out of 3 assignments used, quality = 0.84: * H ILE 93 + H TRP 92 OK 69 100 - 69 - 4.7=43, 4.5/7464=14...(9) H GLU 95 + H TRP 92 OK 43 100 - 43 - 7525/2.9=17, 4.6/7473=9...(7) H TYR 4 + H TRP 92 OK 10 100 - 10 - 4090/2.9=2, 7449/4.6=2...(4) Peak 7473 from nnoeabs.peaks (8.26, 8.14, 118.10 ppm; 4.11 A): 4 out of 4 assignments used, quality = 0.71: * H LYS 94 + H TRP 92 OK 57 100 - 58 - 7503=16, 7504/2.9=15...(9) H PHE 45 + H TRP 92 OK 13 99 - 13 - 10980/4.6=4, 7498/4.7=3 H ALA 71 + H TRP 92 OK 12 99 - 12 - 7498/4.7=4, 10980/4.6=3...(4) H GLU 23 + H TRP 92 OK 10 87 - 12 - 7498/4.7=3, 10980/4.6=2...(4) Peak 7474 from nnoeabs.peaks (6.87, 10.29, 128.25 ppm; 2.92 A): 1 out of 5 assignments used, quality = 1.00: * HD1 TRP 92 + HE1 TRP 92 OK 100 100 - 100 - 2.6=100 HD21 ASN 60 - HE1 TRP 92 lone 10 100 - 10 - 4099/5.3=2, 4111/5.3=2...(5) HE21 GLN 72 - HE1 TRP 92 lone 4 65 - 5 - HE1 TYR 41 - HE1 TRP 92 lone 2 77 - 2 - HE2 TYR 41 - HE1 TRP 92 lone 1 70 - 2 - Peak 7475 from nnoeabs.peaks (10.29, 10.29, 128.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 92 + HE1 TRP 92 OK 100 100 - 100 Peak 7476 from nnoeabs.peaks (7.49, 10.29, 128.25 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * HZ2 TRP 92 + HE1 TRP 92 OK 100 100 - 100 - 2.8=100 H ILE 52 - HE1 TRP 92 lone 5 100 - 5 - ~2334=2 H LYS 47 - HE1 TRP 92 lone 2 61 - 3 - Peak 7477 from nnoeabs.peaks (8.36, 8.36, 120.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 93 + H ILE 93 OK 100 100 - 100 Peak 7478 from nnoeabs.peaks (3.90, 8.36, 120.59 ppm; 4.85 A): 6 out of 8 assignments used, quality = 0.92: * HA ALA 89 + H ILE 93 OK 71 100 - 71 - 3905/4.5=23, 3906/4.5=17...(12) HA ARG 91 + H ILE 93 OK 46 84 - 55 - 3.6/7482=25, 3.0/7449=18...(8) HA3 GLY 101 + H ILE 93 OK 22 96 - 23 - 11029/4.6=8, 10108/131=3...(8) HB2 SER 85 + H ILE 93 OK 21 100 - 21 - 9846/4.7=8, 4094/4.5=3...(5) HA GLU 43 + H ILE 93 OK 11 65 - 18 - 7502/4.6=6, 10325/5.0=3...(5) HA GLU 35 + H ILE 93 OK 10 81 - 13 - 7502/4.6=3, 4020/4.7=2...(5) HB2 SER 102 - H ILE 93 lone 7 97 - 7 - 4106/4.5=1, 7452/4.7=1 HA GLU 63 - H ILE 93 lone 6 84 - 7 - Peak 7479 from nnoeabs.peaks (3.67, 8.36, 120.59 ppm; 4.53 A): 3 out of 4 assignments used, quality = 0.90: * HA LYS 90 + H ILE 93 OK 79 100 - 79 - 3922=29, 4129/3.9=16...(15) HA GLU 88 + H ILE 93 OK 44 92 - 48 - 4129/3.9=10, 7451/4.7=10...(12) HB THR 80 + H ILE 93 OK 11 92 - 12 - 4129/3.9=3, 7501/4.6=2 HA LEU 14 - H ILE 93 lone 7 84 - 9 - 7501/4.6=2, 7454/4.7=2...(4) Peak 7480 from nnoeabs.peaks (7.47, 8.36, 120.59 ppm; 5.41 A): 3 out of 5 assignments used, quality = 0.91: * H ARG 91 + H ILE 93 OK 83 100 - 83 - 7449=27, 4.6/7482=24...(16) HE ARG 46 + H ILE 93 OK 29 100 - 29 - 2.9/7485=8, 7455/4.7=6...(7) H LYS 47 + H ILE 93 OK 29 100 - 29 - 6759/4.6=8, 7455/4.7=7...(7) HD22 ASN 26 - H ILE 93 lone 7 100 - 7 - 7455/4.7=2 HE ARG 19 - H ILE 93 lone 4 65 - 7 - 10033/4.6=2 Peak 7481 from nnoeabs.peaks (3.89, 8.36, 120.59 ppm; 4.85 A): 6 out of 8 assignments used, quality = 0.92: * HA ARG 91 + H ILE 93 OK 57 100 - 57 - 3.6/7482=25, 3.0/7449=18...(12) HA ALA 89 + H ILE 93 OK 54 84 - 64 - 3905/4.5=17, 2.1/9939=16...(11) HA GLU 43 + H ILE 93 OK 25 99 - 25 - 7502/4.6=8, 10325/5.0=2...(8) HA3 GLY 101 + H ILE 93 OK 24 99 - 24 - 11029/4.6=9, 10108/131=3...(8) HA GLU 35 + H ILE 93 OK 16 100 - 16 - 7502/4.6=4, 4020/4.7=2 HB2 SER 85 + H ILE 93 OK 13 77 - 16 - 9846/4.7=5, 4094/4.5=2...(4) HA LEU 38 - H ILE 93 poor 8 81 - 10 - 12249/4.0=2, 8855/4.6=2...(4) HB2 SER 102 - H ILE 93 lone 6 98 - 6 - 4106/4.5=1, 7456/4.7=1 Peak 7482 from nnoeabs.peaks (8.14, 8.36, 120.59 ppm; 3.81 A): 3 out of 4 assignments used, quality = 0.86: * H TRP 92 + H ILE 93 OK 78 100 - 78 - 4.7=55, 7464/4.5=17...(11) H ASP 87 + H ILE 93 OK 22 99 - 23 - 4080/3.6=4, 4095/4.5=4...(8) H GLY 100 + H ILE 93 OK 16 100 - 16 - 7503/4.6=2, 4080/3.6=2...(7) H HIS 106 - H ILE 93 lone 2 65 - 2 - Peak 7483 from nnoeabs.peaks (4.82, 8.36, 120.59 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 92 + H ILE 93 OK 100 100 - 100 - 3.6=100 HA ASN 60 - H ILE 93 OK 29 97 - 30 - 4096/4.5=8, 4108/4.5=8...(6) Peak 7484 from nnoeabs.peaks (3.10, 8.36, 120.59 ppm; 4.19 A): 2 out of 3 assignments used, quality = 0.97: * HB2 TRP 92 + H ILE 93 OK 89 100 - 89 - 4.5=81, 7464/4.7=20...(8) HB2 PHE 96 + H ILE 93 OK 77 100 - 77 - 4325/3.0=31, ~4128=21...(14) HD3 ARG 30 - H ILE 93 lone 4 70 - 6 - 10997/5.0=1 Peak 7485 from nnoeabs.peaks (3.19, 8.36, 120.59 ppm; 4.71 A): 1 out of 6 assignments used, quality = 1.00: * HB3 TRP 92 + H ILE 93 OK 100 100 - 100 - 4.5=100 HD3 ARG 46 - H ILE 93 OK 28 100 - 28 - 4083/3.6=6, 7465/4.7=6...(8) HB2 HIS 106 - H ILE 93 lone 4 90 - 5 - 4083/3.6=1 HB2 ASP 77 - H ILE 93 lone 4 84 - 5 - HD3 ARG 19 - H ILE 93 lone 3 61 - 5 - HD2 ARG 19 - H ILE 93 lone 3 61 - 5 - Peak 7492 from nnoeabs.peaks (3.54, 8.36, 120.59 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + H ILE 93 OK 100 100 - 100 - 3.0=100 Peak 7493 from nnoeabs.peaks (1.80, 8.36, 120.59 ppm; 3.41 A): 3 out of 7 assignments used, quality = 0.93: * HB ILE 93 + H ILE 93 OK 86 100 - 86 - 3.9=65, 2.1/7496=12...(13) HB2 LYS 90 + H ILE 93 OK 30 94 - 33 - 3.0/3922=10, 4.1/7449=7...(8) HB2 LEU 42 + H ILE 93 OK 24 99 - 25 - 1.8/10006=6, 4120/3.0=3...(8) HB2 GLU 88 - H ILE 93 OK 22 98 - 22 - 3.0/7479=5, 12222/3.6=3...(9) HB2 LYS 39 - H ILE 93 OK 11 99 - 11 - 4140/4.0=2, 4120/3.0=2...(6) HB2 GLU 104 - H ILE 93 OK 10 98 - 10 - 4.0/7550=2, 4120/3.0=2 HG3 ARG 46 - H ILE 93 poor 8 73 - 11 - 3.0/7485=3, 3.6/7480=2 Peak 7494 from nnoeabs.peaks (0.75, 8.36, 120.59 ppm; 3.29 A): 2 out of 11 assignments used, quality = 0.95: * QG2 ILE 93 + H ILE 93 OK 82 100 - 82 - 4.0=56, 2.1/4130=15...(14) HG13 ILE 93 + H ILE 93 OK 72 97 - 74 - 4.6=36, 1.8/7495=14...(12) QD1 ILE 93 - H ILE 93 OK 37 61 - 61 - 5.0=28, 2.1/7495=13...(10) QG1 VAL 54 - H ILE 93 OK 17 90 - 19 - 2.1/9227=4, 4.1/9293=4...(5) HG3 ARG 81 - H ILE 93 OK 17 90 - 19 - ~10008=7, 12216/4.5=3...(6) QD2 LEU 42 - H ILE 93 OK 12 73 - 17 - 3.1/10006=5, 3.1/7493=3...(5) QD1 LEU 27 - H ILE 93 poor 9 65 - 13 - 4124/3.0=2, 10485/4.6=2...(4) HG13 ILE 15 - H ILE 93 lone 6 99 - 6 - QD1 ILE 15 - H ILE 93 lone 6 94 - 6 - QD1 LEU 64 - H ILE 93 lone 4 94 - 5 - QG1 VAL 78 - H ILE 93 lone 4 99 - 4 - Peak 7495 from nnoeabs.peaks (2.04, 8.36, 120.59 ppm; 3.56 A): 3 out of 9 assignments used, quality = 0.92: * HG12 ILE 93 + H ILE 93 OK 82 100 - 82 - 4.6=45, 3.0/4130=14...(15) HB3 LYS 94 + H ILE 93 OK 41 77 - 53 - 4.0/7498=12, 4207=8...(14) HB2 MET 21 + H ILE 93 OK 23 84 - 27 - 4.3/8535=5, 4142/4.0=5...(8) HB3 GLU 99 - H ILE 93 lone 10 100 - 9 - 4.7/7482=2, 4122/3.0=1 HB2 GLU 99 - H ILE 93 lone 9 98 - 9 - 4.7/7482=2 HB2 GLN 50 - H ILE 93 lone 7 81 - 8 - 4134/3.9=1, 4142/4.0=1...(4) HB3 GLU 98 - H ILE 93 lone 7 98 - 7 - HB2 GLU 98 - H ILE 93 lone 6 97 - 7 - HB3 GLU 48 - H ILE 93 lone 6 92 - 7 - 4142/4.0=1, 4134/3.9=1 Peak 7496 from nnoeabs.peaks (0.74, 8.36, 120.59 ppm; 3.29 A): 2 out of 10 assignments used, quality = 0.95: QG2 ILE 93 + H ILE 93 OK 79 97 - 82 - 4.0=56, 2.1/4130=15...(13) * HG13 ILE 93 + H ILE 93 OK 74 100 - 74 - 4.6=36, 1.8/7495=14...(13) HG3 ARG 81 - H ILE 93 OK 20 99 - 20 - ~10008=7, 12216/4.5=3...(6) QG1 VAL 5 - H ILE 93 OK 17 70 - 25 - ~8176=9, 10198/4.6=4...(7) QG1 VAL 54 - H ILE 93 OK 12 65 - 18 - 2.1/9227=4, 4.1/9293=4...(4) QD2 LEU 27 - H ILE 93 OK 11 81 - 14 - ~4124=1, 4123/3.0=1...(6) QD1 LEU 64 - H ILE 93 lone 5 100 - 5 - HG13 ILE 15 - H ILE 93 lone 5 90 - 5 - QD1 ILE 15 - H ILE 93 lone 4 73 - 5 - QG1 VAL 78 - H ILE 93 lone 4 100 - 4 - Peak 7497 from nnoeabs.peaks (0.77, 8.36, 120.59 ppm; 3.40 A): 5 out of 10 assignments used, quality = 0.94: * QD1 ILE 93 + H ILE 93 OK 74 100 - 74 - 5.0=31, 4163/3.0=22...(11) QG2 ILE 93 + H ILE 93 OK 51 61 - 83 - 4.0=62, 2.1/4130=16...(12) QD1 LEU 27 + H ILE 93 OK 23 100 - 23 - 10485/4.6=4, 4124/3.0=3...(9) QD2 LEU 42 + H ILE 93 OK 22 100 - 23 - 3.1/10006=6, 3.1/7493=3...(8) QG1 VAL 54 + H ILE 93 OK 21 96 - 22 - 2.1/9227=4, 4.1/9293=4...(7) QG2 ILE 52 - H ILE 93 lone 9 94 - 10 - 4.3/11098=2, 10643/4.6=1 QD1 ILE 15 - H ILE 93 lone 7 92 - 8 - HG13 ILE 15 - H ILE 93 lone 5 77 - 6 - QD1 LEU 6 - H ILE 93 lone 4 100 - 4 - QG2 ILE 8 - H ILE 93 lone 2 70 - 2 - Peak 7498 from nnoeabs.peaks (8.26, 8.36, 120.59 ppm; 3.66 A): 4 out of 4 assignments used, quality = 0.92: * H LYS 94 + H ILE 93 OK 84 100 - 84 - 4.6=49, 4137/3.9=11...(21) H ALA 71 + H ILE 93 OK 25 99 - 25 - 4125/3.0=4, 4137/3.9=4...(7) H PHE 45 + H ILE 93 OK 17 99 - 17 - 4137/3.9=2, 4125/3.0=2...(6) H GLU 23 + H ILE 93 OK 17 87 - 20 - 4145/4.0=4, 4125/3.0=3...(6) Peak 7499 from nnoeabs.peaks (8.36, 8.36, 120.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: H ILE 93 + H ILE 93 OK 100 100 - 100 Reference assignment not found: H GLU 95 - H ILE 93 Peak 7500 from nnoeabs.peaks (8.26, 8.26, 121.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 94 + H LYS 94 OK 100 100 - 100 Peak 7501 from nnoeabs.peaks (3.67, 8.26, 121.69 ppm; 4.36 A): 3 out of 4 assignments used, quality = 0.82: * HA LYS 90 + H LYS 94 OK 68 100 - 68 - 10979=18, 4129/4.4=13...(17) HA GLU 88 + H LYS 94 OK 36 92 - 39 - 4129/4.4=8, 10027/4.3=7...(10) HB THR 80 + H LYS 94 OK 11 92 - 12 - 4129/4.4=2, 7479/4.6=2 HA LEU 14 - H LYS 94 poor 10 84 - 12 - ~6186=1, 593/4.0=1, 7479/4.6=1 Peak 7502 from nnoeabs.peaks (3.89, 8.26, 121.69 ppm; 3.58 A): 5 out of 8 assignments used, quality = 0.83: HA GLU 43 + H LYS 94 OK 42 99 - 43 - 2.9/6698=8, 4021=6...(13) * HA ARG 91 + H LYS 94 OK 39 100 - 39 - 3.6/7473=12, 3.0/10980=8...(7) HA GLU 35 + H LYS 94 OK 22 100 - 22 - 4021=4, 4196/4.0=3...(8) HA ALA 89 + H LYS 94 OK 22 84 - 26 - 4.8/7501=7, 2.1/7515=3...(9) HA3 GLY 101 + H LYS 94 OK 18 99 - 18 - 11029=5, 4196/4.0=3...(6) HA LEU 38 - H LYS 94 lone 8 81 - 9 - HB2 SER 85 - H LYS 94 lone 5 77 - 6 - HB2 SER 102 - H LYS 94 lone 2 98 - 2 - Peak 7503 from nnoeabs.peaks (8.14, 8.26, 121.69 ppm; 5.06 A): 3 out of 4 assignments used, quality = 0.86: * H TRP 92 + H LYS 94 OK 76 100 - 76 - 7473=31, 2.9/7504=23...(9) H ASP 87 + H LYS 94 OK 27 99 - 28 - 7482/4.6=6, 10978/7501=3...(9) H GLY 100 + H LYS 94 OK 21 100 - 21 - 7482/4.6=4, 7625/3.0=3...(8) H HIS 106 - H LYS 94 lone 2 65 - 4 - 2.9/8532=1 Peak 7504 from nnoeabs.peaks (4.82, 8.26, 121.69 ppm; 5.39 A): 2 out of 2 assignments used, quality = 0.73: * HA TRP 92 + H LYS 94 OK 66 100 - 66 - 2.9/7473=28, 3.6/7498=26...(6) HA ASN 60 + H LYS 94 OK 23 97 - 23 - 7525/4.6=9, 7483/4.6=7...(5) Peak 7505 from nnoeabs.peaks (8.36, 8.26, 121.69 ppm; 3.06 A): 3 out of 3 assignments used, quality = 0.91: H GLU 95 + H LYS 94 OK 68 100 - 68 - 4.6=29, 7527/3.6=8...(19) * H ILE 93 + H LYS 94 OK 66 100 - 66 - 4.6=29, 3.9/4137=8...(20) H TYR 4 + H LYS 94 OK 22 100 - 21 - 4138/4.3=3, 4180/3.0=2...(8) Peak 7506 from nnoeabs.peaks (3.54, 8.26, 121.69 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + H LYS 94 OK 100 100 - 100 - 3.6=100 Peak 7507 from nnoeabs.peaks (1.80, 8.26, 121.69 ppm; 3.41 A): 6 out of 7 assignments used, quality = 0.93: * HB ILE 93 + H LYS 94 OK 78 100 - 78 - 4.4=47, 2.1/7510=13...(15) HB2 LYS 90 + H LYS 94 OK 29 94 - 31 - 3.0/7501=10, 4.1/10980=6...(7) HB2 LEU 42 + H LYS 94 OK 29 99 - 29 - 3.1/10414=5, 4.6/6698=4...(8) HB2 GLU 88 + H LYS 94 OK 18 98 - 19 - 3.0/7501=5, 4140/4.3=2...(6) HB2 LYS 39 + H LYS 94 OK 17 99 - 17 - 3.0/7515=2, 4140/4.3=2...(5) HB2 GLU 104 + H LYS 94 OK 11 98 - 11 - 4.0/7548=4, 4120/3.6=1 HG3 ARG 46 - H LYS 94 lone 6 73 - 9 - 4.9/6741=2, 3.6/10033=1 Peak 7508 from nnoeabs.peaks (0.75, 8.26, 121.69 ppm; 3.41 A): 3 out of 11 assignments used, quality = 0.95: * QG2 ILE 93 + H LYS 94 OK 82 100 - 82 - 4.3=50, 2.1/4137=15...(18) HG13 ILE 93 + H LYS 94 OK 57 97 - 59 - 3.0/4137=12, 1.8/7509=12...(15) QD1 ILE 93 + H LYS 94 OK 33 61 - 53 - 3.2/4137=12, 2.1/7509=11...(14) QD2 LEU 42 - H LYS 94 OK 17 73 - 23 - 2.1/10414=5, 3.1/7507=4...(7) QD1 LEU 27 - H LYS 94 OK 12 65 - 19 - 2.1/7518=3, 10485/4.0=2...(8) HG13 ILE 15 - H LYS 94 lone 9 99 - 9 - 8450/3.0=1 QD1 ILE 15 - H LYS 94 lone 9 94 - 10 - 8446/3.0=2 QG1 VAL 54 - H LYS 94 lone 9 90 - 10 - 10658/3.0=1...(3) HG3 ARG 81 - H LYS 94 lone 7 90 - 7 - 4123/3.6=2, 4135/4.4=2 QD1 LEU 64 - H LYS 94 lone 7 94 - 7 - QG1 VAL 78 - H LYS 94 lone 5 99 - 5 - Peak 7509 from nnoeabs.peaks (2.04, 8.26, 121.69 ppm; 3.07 A): 3 out of 9 assignments used, quality = 0.86: HB3 LYS 94 + H LYS 94 OK 59 77 - 77 - 4.0=44, 1.8/7513=15...(21) * HG12 ILE 93 + H LYS 94 OK 53 100 - 53 - 3.0/4137=10, 1.8/7510=9...(16) HB2 MET 21 + H LYS 94 OK 27 84 - 32 - 4.3/8536=6, 3.0/8534=6...(12) HB2 GLN 50 - H LYS 94 poor 9 81 - 11 - 4173/3.0=1 HB3 GLU 99 - H LYS 94 lone 7 100 - 7 - 4.7/7503=1 HB2 GLU 99 - H LYS 94 lone 5 98 - 5 - 4.7/7503=1 HB3 GLU 48 - H LYS 94 lone 4 92 - 5 - HB3 GLU 98 - H LYS 94 lone 4 98 - 4 - HB2 GLU 98 - H LYS 94 lone 4 97 - 4 - Peak 7510 from nnoeabs.peaks (0.74, 8.26, 121.69 ppm; 3.41 A): 3 out of 10 assignments used, quality = 0.92: QG2 ILE 93 + H LYS 94 OK 79 97 - 81 - 4.3=50, 2.1/4137=15...(18) * HG13 ILE 93 + H LYS 94 OK 59 100 - 59 - 3.0/4137=12, 1.8/7509=12...(14) QD2 LEU 27 + H LYS 94 OK 12 81 - 15 - 2.1/7518=3, 3.1/7515=2...(6) QG1 VAL 5 - H LYS 94 poor 10 70 - 14 - 2.1/10370=4...(6) HG3 ARG 81 - H LYS 94 lone 8 99 - 8 - 4123/3.6=2, 4135/4.4=2 HG13 ILE 15 - H LYS 94 lone 8 90 - 8 - QD1 LEU 64 - H LYS 94 lone 7 100 - 7 - QD1 ILE 15 - H LYS 94 lone 6 73 - 8 - QG1 VAL 78 - H LYS 94 lone 5 100 - 5 - QG1 VAL 54 - H LYS 94 lone 4 65 - 7 - Peak 7511 from nnoeabs.peaks (0.77, 8.26, 121.69 ppm; 3.63 A): 4 out of 10 assignments used, quality = 0.94: * QD1 ILE 93 + H LYS 94 OK 73 100 - 73 - 4163/3.6=22, 3.2/4137=13...(18) QG2 ILE 93 + H LYS 94 OK 51 61 - 84 - 4.3=61, 2.1/4137=17...(15) QD2 LEU 42 + H LYS 94 OK 32 100 - 32 - 2.1/10414=6, 3.1/7507=4...(9) QD1 LEU 27 + H LYS 94 OK 29 100 - 30 - 10485/4.0=6, 4124/3.6=3...(12) QG1 VAL 54 - H LYS 94 OK 13 96 - 14 - 7497/4.6=2, 10658/3.0=2...(4) QD1 ILE 15 - H LYS 94 OK 11 92 - 12 - 8446/3.0=2 QG2 ILE 52 - H LYS 94 OK 11 94 - 12 - 3.1/9152=2 HG13 ILE 15 - H LYS 94 lone 7 77 - 10 - ~8446=1 QG2 ILE 8 - H LYS 94 lone 7 70 - 10 - ~11008=3 QD1 LEU 6 - H LYS 94 lone 5 100 - 5 - Peak 7512 from nnoeabs.peaks (3.87, 8.26, 121.69 ppm; 3.25 A): 1 out of 9 assignments used, quality = 1.00: * HA LYS 94 + H LYS 94 OK 100 100 - 100 - 3.0=100 HA GLU 43 - H LYS 94 OK 20 70 - 29 - 2.9/6698=6, 3.6/6715=5...(10) HA ALA 67 - H LYS 94 OK 19 87 - 22 - 2.1/7515=2, 4198/4.0=2...(9) HA LYS 40 - H LYS 94 OK 18 100 - 18 - 1780/4.0=2, 4198/4.0=2...(7) HA2 GLY 101 - H LYS 94 OK 15 100 - 15 - 1.8/11029=4, 4198/4.0=1 HA2 GLY 100 - H LYS 94 OK 13 100 - 13 - 2.9/7503=2, 4198/4.0=1 HA LEU 38 - H LYS 94 lone 9 96 - 10 - 12249/4.3=1 HA LYS 12 - H LYS 94 lone 9 90 - 10 - HB3 SER 49 - H LYS 94 lone 8 94 - 8 - Peak 7513 from nnoeabs.peaks (1.92, 8.26, 121.69 ppm; 3.05 A): 3 out of 12 assignments used, quality = 0.85: * HB2 LYS 94 + H LYS 94 OK 75 100 - 75 - 4.0=43, 1.8/7514=16...(18) HB3 LYS 47 + H LYS 94 OK 29 100 - 29 - 4185=5, 4172/3.0=4...(11) HB2 GLU 43 + H LYS 94 OK 17 73 - 23 - 3.0/7502=5, 4.0/6698=4...(7) HB3 ARG 19 - H LYS 94 poor 10 97 - 10 - 3.0/12163=2, 4172/3.0=1 HB3 LYS 20 - H LYS 94 poor 10 87 - 11 - 4.6/6339=2, 3.0/855=2 HB2 LYS 13 - H LYS 94 lone 6 98 - 6 - 4172/3.0=1 HB3 LYS 13 - H LYS 94 lone 6 96 - 6 - HB2 GLU 17 - H LYS 94 lone 4 61 - 6 - 1.8/7514=1 HB VAL 32 - H LYS 94 lone 3 65 - 5 - ~10162=1 HB2 LYS 33 - H LYS 94 lone 3 99 - 3 - HB3 LYS 33 - H LYS 94 lone 3 97 - 3 - HB2 MET 1 - H LYS 94 lone 2 61 - 3 - Peak 7514 from nnoeabs.peaks (2.02, 8.26, 121.69 ppm; 3.06 A): 5 out of 7 assignments used, quality = 0.90: * HB3 LYS 94 + H LYS 94 OK 77 100 - 77 - 4.0=44, 1.8/7513=15...(21) HG12 ILE 93 + H LYS 94 OK 39 77 - 51 - 3.0/4137=10, 1.8/7510=9...(15) HB2 GLN 50 + H LYS 94 OK 12 100 - 12 - 4173/3.0=2 HB2 GLU 62 + H LYS 94 OK 11 97 - 12 - 4173/3.0=2, 4222/4.9=2...(6) HB2 GLU 35 + H LYS 94 OK 10 77 - 13 - 3.0/7502=3, 4173/3.0=1...(4) HB3 GLU 17 - H LYS 94 lone 5 73 - 7 - HB3 GLU 99 - H LYS 94 lone 5 77 - 6 - 4.7/7503=1 Peak 7515 from nnoeabs.peaks (1.34, 8.26, 121.69 ppm; 4.06 A): 2 out of 10 assignments used, quality = 0.97: * HG2 LYS 94 + H LYS 94 OK 94 100 - 94 - 4.9=56, 2.9/4197=19...(23) QB ALA 25 + H LYS 94 OK 47 100 - 47 - 10334/3.0=13, 10476=6...(15) QB ALA 89 - H LYS 94 OK 41 100 - 41 - 9939/4.6=7, 2.1/7502=6...(16) HB3 LEU 27 - H LYS 94 OK 35 99 - 36 - 10320/4.3=4, 3.1/7511=4...(16) QB ALA 67 - H LYS 94 OK 30 100 - 30 - 2983/3.0=4, 2.1/7512=4...(13) HG3 LYS 68 - H LYS 94 OK 28 92 - 31 - 4.0/12163=4, 1.8/7517=4...(12) HG2 LYS 39 - H LYS 94 OK 27 98 - 27 - 3.0/7507=3, 12072/4.0=3...(11) HB3 LEU 2 - H LYS 94 OK 20 98 - 20 - 4174/3.0=2, 4201/4.0=2...(9) HG LEU 14 - H LYS 94 poor 9 90 - 10 - 4.3/7501=2 HB2 LYS 82 - H LYS 94 lone 9 99 - 8 - 10320/4.3=1 Peak 7516 from nnoeabs.peaks (1.38, 8.26, 121.69 ppm; 4.13 A): 2 out of 4 assignments used, quality = 0.97: * HG3 LYS 94 + H LYS 94 OK 93 100 - 93 - 4.9=59, 2.9/4197=20...(19) HB2 LEU 70 + H LYS 94 OK 60 87 - 70 - 1.8/3149=12, 3140=11...(19) HB3 ARG 30 - H LYS 94 OK 33 92 - 36 - 4202/4.0=6, 4175/3.0=6...(9) HG12 ILE 8 - H LYS 94 poor 8 65 - 12 - 4175/3.0=2, ~8306=2, 4202/4.0=1 Peak 7517 from nnoeabs.peaks (1.62, 8.26, 121.69 ppm; 4.45 A): 2 out of 5 assignments used, quality = 0.97: * HD2 LYS 94 + H LYS 94 OK 92 100 - 92 - 6.3=36, 3.5/4197=20...(19) HG3 LYS 47 + H LYS 94 OK 57 100 - 57 - 4176/3.0=11, 4203/4.0=10...(13) HG2 LYS 68 - H LYS 94 OK 22 65 - 33 - 4.0/12163=5, 4176/3.0=4...(12) HD3 LYS 39 - H LYS 94 OK 15 70 - 22 - 3.6/7507=3, 4176/3.0=3...(10) HB ILE 76 - H LYS 94 poor 9 57 - 15 - 3.2/10887=4, ~9668=1...(5) Peak 7518 from nnoeabs.peaks (1.60, 8.26, 121.69 ppm; 4.39 A): 3 out of 13 assignments used, quality = 0.96: * HD3 LYS 94 + H LYS 94 OK 90 100 - 90 - 6.3=34, 3.5/4197=19...(18) HG LEU 27 + H LYS 94 OK 38 100 - 38 - 2.1/7511=5, 4177/3.0=5...(13) HB2 ARG 30 + H LYS 94 OK 37 99 - 37 - 1.8/7516=7, 1323/4.9=6...(9) HG3 LYS 90 - H LYS 94 OK 28 81 - 35 - 4.0/7501=14, 2.8/7507=6...(10) HD2 LYS 66 - H LYS 94 OK 24 100 - 24 - 4177/3.0=3, 4204/4.0=3...(8) HG2 ARG 19 - H LYS 94 OK 17 84 - 21 - 4.0/12163=3, 3.0/7513=2...(9) HG3 LYS 12 - H LYS 94 OK 17 99 - 17 - 4177/3.0=2, 3.7/7512=1...(6) HG3 LYS 73 - H LYS 94 OK 15 100 - 15 - 4177/3.0=2, 7535/4.6=2...(4) HG2 LYS 24 - H LYS 94 OK 13 87 - 15 - 3.7/12295=5, 5.1/6376=2 HB3 LEU 29 - H LYS 94 OK 13 100 - 13 - 10497/4.3=2, 4177/3.0=1 HB2 LEU 103 - H LYS 94 OK 12 84 - 14 - 4.3/7548=6, 4177/3.0=1 HB2 ARG 79 - H LYS 94 lone 6 100 - 6 - HG LEU 103 - H LYS 94 lone 5 73 - 7 - Peak 7519 from nnoeabs.peaks (2.92, 8.26, 121.69 ppm; 4.68 A): 2 out of 9 assignments used, quality = 0.95: * HE2 LYS 94 + H LYS 94 OK 81 100 - 81 - 7.3=26, 3.0/7517=16...(14) HE3 LYS 94 + H LYS 94 OK 75 94 - 80 - 7.3=26, 3.0/7517=16...(13) HE3 LYS 20 - H LYS 94 OK 29 97 - 30 - 4205/4.0=4, 4227/4.9=3...(11) HE2 LYS 68 - H LYS 94 OK 28 92 - 31 - 4205/4.0=4, 3.6/7517=3...(13) HE2 LYS 20 - H LYS 94 OK 28 96 - 29 - 4205/4.0=4, 4227/4.9=3...(12) HE3 LYS 68 - H LYS 94 OK 26 87 - 30 - 4206/4.0=4, 3.6/7517=3...(13) HE3 LYS 90 - H LYS 94 OK 21 73 - 29 - 6.2/7501=9, 10011/4.4=5...(5) HE3 LYS 66 - H LYS 94 poor 10 61 - 15 - 2.9/7518=3, ~4177=2...(7) HB2 ASN 10 - H LYS 94 lone 8 96 - 9 - 10012/4.3=2, 10011/4.4=2 Peak 7520 from nnoeabs.peaks (2.91, 8.26, 121.69 ppm; 4.68 A): 2 out of 10 assignments used, quality = 0.95: * HE3 LYS 94 + H LYS 94 OK 80 100 - 80 - 7.3=26, 3.0/7517=16...(13) HE2 LYS 94 + H LYS 94 OK 76 94 - 81 - 7.3=26, 3.0/7517=16...(13) HE3 LYS 68 - H LYS 94 OK 31 100 - 32 - 4206/4.0=4, 3.6/7517=3...(13) HE2 LYS 68 - H LYS 94 OK 31 100 - 31 - 4206/4.0=4, 3.6/7517=3...(13) HE2 LYS 20 - H LYS 94 OK 29 100 - 29 - 4206/4.0=4, 4228/4.9=3...(12) HE3 LYS 20 - H LYS 94 OK 28 100 - 29 - 4206/4.0=4, 4227/4.9=3...(11) HE3 LYS 66 - H LYS 94 OK 15 92 - 17 - 2.9/7518=3, 4206/4.0=2...(7) HE2 LYS 66 - H LYS 94 OK 12 73 - 16 - 2.9/7518=3, ~4177=2...(6) HB2 ASN 60 - H LYS 94 lone 6 61 - 9 - 3.0/7504=7 HB2 ASN 10 - H LYS 94 lone 5 70 - 6 - 10012/4.3=1, 10011/4.4=1 Peak 7521 from nnoeabs.peaks (8.36, 8.26, 121.69 ppm; 3.06 A): 3 out of 3 assignments used, quality = 0.91: * H GLU 95 + H LYS 94 OK 68 100 - 68 - 4.6=29, 7527/3.6=8...(19) H ILE 93 + H LYS 94 OK 66 100 - 66 - 4.6=29, 3.9/4137=8...(19) H TYR 4 + H LYS 94 OK 22 100 - 21 - 4138/4.3=3, 4180/3.0=2...(9) Peak 7522 from nnoeabs.peaks (8.21, 8.26, 121.69 ppm; 3.16 A): 4 out of 4 assignments used, quality = 0.82: * H PHE 96 + H LYS 94 OK 53 100 - 54 - 7548=23, 7547/3.6=12...(11) H SER 97 + H LYS 94 OK 41 99 - 41 - 7565/3.6=13, 4181/3.0=8...(9) H GLU 104 + H LYS 94 OK 23 99 - 23 - 7548=9, 7547/3.6=4...(6) H GLU 43 + H LYS 94 OK 15 61 - 25 - 2.9/7502=6, 6698=3...(8) Peak 7523 from nnoeabs.peaks (8.36, 8.36, 118.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 95 + H GLU 95 OK 100 100 - 100 Peak 7524 from nnoeabs.peaks (3.89, 8.36, 118.50 ppm; 4.14 A): 5 out of 8 assignments used, quality = 0.75: * HA ARG 91 + H GLU 95 OK 33 100 - 33 - 3.6/7472=11, 3.0/7449=9...(5) HA GLU 43 + H GLU 95 OK 26 99 - 27 - 7502/4.6=6, 4196/4.6=6...(7) HA ALA 89 + H GLU 95 OK 24 84 - 29 - 2.1/9939=8, 4.8/3922=5...(11) HA3 GLY 101 + H GLU 95 OK 20 99 - 20 - 11029/4.6=6, 4196/4.6=4...(7) HA GLU 35 + H GLU 95 OK 18 100 - 17 - 4196/4.6=4, 7502/4.6=3...(6) HA LEU 38 - H GLU 95 lone 6 81 - 7 - 7502/4.6=1, 4196/4.6=1 HB2 SER 85 - H GLU 95 lone 5 77 - 6 - HB2 SER 102 - H GLU 95 lone 3 98 - 3 - Peak 7525 from nnoeabs.peaks (4.82, 8.36, 118.50 ppm; 4.03 A): 2 out of 2 assignments used, quality = 0.75: * HA TRP 92 + H GLU 95 OK 67 100 - 68 - 4091=20, 4093/4.0=14...(8) HA ASN 60 + H GLU 95 OK 24 97 - 25 - 4284/4.0=7, 4292/4.0=6...(7) Peak 7526 from nnoeabs.peaks (8.36, 8.36, 118.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: H GLU 95 + H GLU 95 OK 100 100 - 100 Reference assignment not found: H ILE 93 - H GLU 95 Peak 7527 from nnoeabs.peaks (3.54, 8.36, 118.50 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.86: * HA ILE 93 + H GLU 95 OK 86 100 - 86 - 7547/4.5=28, 3.6/7528=25...(15) Peak 7528 from nnoeabs.peaks (8.26, 8.36, 118.50 ppm; 3.32 A): 4 out of 4 assignments used, quality = 0.89: * H LYS 94 + H GLU 95 OK 77 100 - 77 - 4.6=37, 3.6/7527=10...(20) H ALA 71 + H GLU 95 OK 31 99 - 31 - 3.6/7538=5, 4170/3.6=5...(9) H GLU 23 + H GLU 95 OK 18 87 - 21 - 4.0/7540=3, 5.0/7541=2...(9) H PHE 45 + H GLU 95 OK 17 99 - 17 - 4170/3.6=3, 4197/4.6=2...(7) Peak 7529 from nnoeabs.peaks (3.87, 8.36, 118.50 ppm; 3.89 A): 1 out of 9 assignments used, quality = 1.00: * HA LYS 94 + H GLU 95 OK 100 100 - 100 - 3.6=100 HA ALA 67 - H GLU 95 OK 19 87 - 22 - 11014/3.0=3, 2.1/7532=3...(8) HA LYS 40 - H GLU 95 OK 16 100 - 16 - 1780/4.6=2, 11014/3.0=2...(6) HA2 GLY 100 - H GLU 95 OK 13 100 - 13 - 11014/3.0=2, 10091/4.6=1...(7) HA GLU 43 - H GLU 95 OK 13 70 - 19 - 4196/4.6=3, 3.0/7530=2...(9) HA2 GLY 101 - H GLU 95 OK 13 100 - 13 - 11014/3.0=2, 7512/4.6=2...(6) HA LYS 12 - H GLU 95 poor 9 90 - 10 - 11014/3.0=1, 3.7/7535=1...(4) HA LEU 38 - H GLU 95 lone 9 96 - 9 - 11014/3.0=2 HB3 SER 49 - H GLU 95 lone 8 94 - 8 - 4198/4.6=1, 11014/3.0=1 Peak 7530 from nnoeabs.peaks (1.92, 8.36, 118.50 ppm; 3.70 A): 3 out of 12 assignments used, quality = 0.87: * HB2 LYS 94 + H GLU 95 OK 79 100 - 79 - 4.6=51, 1.8/7531=18...(9) HB3 LYS 47 + H GLU 95 OK 30 100 - 31 - 3.0/7534=6, 4195=6...(7) HB2 GLU 43 + H GLU 95 OK 13 73 - 18 - 3.0/7524=5, 4172/3.6=3...(8) HB3 ARG 19 - H GLU 95 lone 8 97 - 8 - 4172/3.6=2, 7513/4.6=1...(5) HB3 LYS 20 - H GLU 95 lone 6 87 - 7 - 4172/3.6=1, 7513/4.6=1...(4) HB2 LYS 13 - H GLU 95 lone 6 98 - 6 - 4172/3.6=1 HB3 LYS 13 - H GLU 95 lone 5 96 - 6 - 4172/3.6=1 HB2 LYS 33 - H GLU 95 lone 4 99 - 3 - HB3 LYS 33 - H GLU 95 lone 3 97 - 3 - HB2 GLU 17 - H GLU 95 lone 3 61 - 5 - 1.8/7531=1 HB2 MET 1 - H GLU 95 lone 3 61 - 5 - 3.0/7539=1 HB VAL 32 - H GLU 95 lone 2 65 - 4 - Peak 7531 from nnoeabs.peaks (2.02, 8.36, 118.50 ppm; 3.34 A): 4 out of 7 assignments used, quality = 0.86: * HB3 LYS 94 + H GLU 95 OK 69 100 - 69 - 4.6=37, 1.8/7530=15...(9) HG12 ILE 93 + H GLU 95 OK 35 77 - 45 - 4.0/7527=10, 2.1/4162=7...(12) HB2 GLU 62 + H GLU 95 OK 19 97 - 20 - 2.9/7541=4, 2.9/7541=4...(8) HB3 GLU 99 + H GLU 95 OK 12 77 - 15 - ~4368=2, ~4376=2...(6) HB2 GLU 35 - H GLU 95 poor 10 77 - 12 - 3.0/7524=3, 2.9/7539=2...(4) HB2 GLN 50 - H GLU 95 lone 10 100 - 10 - 4173/3.6=2, 7514/4.6=1...(4) HB3 GLU 17 - H GLU 95 lone 4 73 - 6 - Peak 7532 from nnoeabs.peaks (1.34, 8.36, 118.50 ppm; 4.24 A): 2 out of 10 assignments used, quality = 0.94: * HG2 LYS 94 + H GLU 95 OK 91 100 - 91 - 4.9=66, 1.8/7533=19...(11) QB ALA 89 + H GLU 95 OK 33 100 - 33 - 9939=9, 2.1/7524=7...(12) QB ALA 25 - H GLU 95 OK 31 100 - 31 - 10334/3.6=12...(7) HB3 LEU 27 - H GLU 95 OK 25 99 - 25 - 4174/3.6=3, 3.0/7535=3...(8) QB ALA 67 - H GLU 95 OK 24 100 - 24 - 2983/3.6=4, 2.1/7529=4...(8) HG2 LYS 39 - H GLU 95 OK 17 98 - 17 - 12072/4.6=3, 4174/3.6=2...(7) HB3 LEU 2 - H GLU 95 OK 16 98 - 16 - 4.6/6030=4, 4174/3.6=2...(7) HG3 LYS 68 - H GLU 95 OK 15 92 - 16 - 1.8/7534=3, 4174/3.6=3...(6) HB2 LYS 82 - H GLU 95 lone 7 99 - 7 - HG LEU 14 - H GLU 95 lone 5 90 - 6 - Peak 7533 from nnoeabs.peaks (1.38, 8.36, 118.50 ppm; 4.52 A): 2 out of 4 assignments used, quality = 0.98: * HG3 LYS 94 + H GLU 95 OK 95 100 - 95 - 4.9=80, 2.9/4207=19...(10) HB2 LEU 70 + H GLU 95 OK 49 87 - 56 - 3.0/7538=10, 4175/3.6=10...(13) HB3 ARG 30 - H GLU 95 OK 29 92 - 31 - 4202/4.6=6, 4175/3.6=6...(8) HG12 ILE 8 - H GLU 95 lone 6 65 - 9 - 4175/3.6=2, 4202/4.6=1 Peak 7534 from nnoeabs.peaks (1.62, 8.36, 118.50 ppm; 4.69 A): 4 out of 5 assignments used, quality = 0.91: * HD2 LYS 94 + H GLU 95 OK 78 100 - 78 - 4235/4.9=19, 3.5/4207=18...(10) HG3 LYS 47 + H GLU 95 OK 48 100 - 48 - 4176/3.6=11, 4203/4.6=9...(9) HG2 LYS 68 + H GLU 95 OK 13 65 - 20 - 4176/3.6=3, 4214/4.9=3...(7) HD3 LYS 39 + H GLU 95 OK 12 70 - 17 - 4176/3.6=3, 3.0/7532=2...(7) HB ILE 76 - H GLU 95 poor 7 57 - 11 - 3.0/9631=4, 4176/3.6=1...(4) Peak 7535 from nnoeabs.peaks (1.60, 8.36, 118.50 ppm; 4.64 A): 4 out of 13 assignments used, quality = 0.91: * HD3 LYS 94 + H GLU 95 OK 75 100 - 75 - 3.5/4207=18, 3.0/7533=18...(10) HB2 ARG 30 + H GLU 95 OK 31 99 - 32 - 1323/4.9=7, 1.8/7533=7...(7) HG LEU 27 + H GLU 95 OK 30 100 - 31 - 4177/3.6=5, 4215/4.9=4...(9) HD2 LYS 66 + H GLU 95 OK 21 100 - 21 - 4177/3.6=3, 12290/4.8=3...(8) HG3 LYS 73 - H GLU 95 OK 19 100 - 19 - 9581/3.0=4, 12183/4.0=3...(7) HG3 LYS 12 - H GLU 95 OK 15 99 - 15 - 4177/3.6=2, 9581/3.0=2...(6) HG3 LYS 90 - H GLU 95 OK 15 81 - 18 - 4.0/3922=8, 7518/4.6=2...(6) HB2 LEU 103 - H GLU 95 OK 14 84 - 16 - 4.3/7544=6, 4481/4.5=3...(4) HG2 ARG 19 - H GLU 95 OK 12 84 - 14 - 3.0/7530=2, 4177/3.6=2...(7) HB3 LEU 29 - H GLU 95 lone 9 100 - 9 - 4177/3.6=1 HB2 ARG 79 - H GLU 95 lone 6 100 - 6 - HG2 LYS 24 - H GLU 95 lone 6 87 - 6 - 7518/4.6=1 HG LEU 103 - H GLU 95 lone 5 73 - 7 - 4497/4.5=2 Peak 7538 from nnoeabs.peaks (4.02, 8.36, 118.50 ppm; 3.32 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 95 + H GLU 95 OK 100 100 - 100 - 3.0=100 HA LEU 70 - H GLU 95 OK 32 100 - 33 - 3.6/7528=5, 3.0/7533=5...(13) HB3 SER 59 - H GLU 95 lone 5 81 - 6 - 4286/4.0=1, 4308/4.8=1 Peak 7539 from nnoeabs.peaks (2.20, 8.36, 118.50 ppm; 3.16 A): 3 out of 10 assignments used, quality = 0.84: * HB2 GLU 95 + H GLU 95 OK 79 100 - 79 - 4.0=48, 1.8/7540=19...(13) HG2 GLU 98 + H GLU 95 OK 14 90 - 15 - 4276/3.0=4, ~4368=2...(6) HB2 GLU 63 + H GLU 95 OK 13 97 - 13 - 4276/3.0=2, 3.0/7542=2...(6) HG3 GLU 35 - H GLU 95 lone 9 96 - 9 - 4.1/7524=2, 2.9/7531=1 HG2 GLU 35 - H GLU 95 lone 9 96 - 9 - 4.1/7524=2, 2.9/7531=1 HG2 GLU 99 - H GLU 95 poor 8 70 - 11 - 4276/3.0=2, 3.0/7531=2...(7) HG2 GLU 43 - H GLU 95 lone 7 73 - 10 - 3.7/7524=3, 3.0/7530=2 HG2 MET 1 - H GLU 95 lone 6 98 - 6 - 8018/131=1 HG3 PRO 86 - H GLU 95 lone 6 94 - 6 - 4092/7525=1 HB3 GLU 75 - H GLU 95 lone 2 77 - 3 - Peak 7540 from nnoeabs.peaks (2.16, 8.36, 118.50 ppm; 3.14 A): 3 out of 9 assignments used, quality = 0.88: * HB3 GLU 95 + H GLU 95 OK 79 100 - 80 - 4.0=48, 1.8/7539=18...(13) HB3 GLU 23 + H GLU 95 OK 26 99 - 26 - 4277/3.0=5, 2.9/7541=4...(12) HB2 GLN 72 + H GLU 95 OK 20 99 - 20 - 3.0/7542=4, 4277/3.0=4...(8) HG2 GLU 104 - H GLU 95 lone 7 90 - 8 - 4.9/7544=2, 4535/4.5=2 HB3 GLU 16 - H GLU 95 lone 6 97 - 6 - 4277/3.0=1, 4288/4.0=1 HB3 GLN 50 - H GLU 95 lone 3 73 - 4 - 1.8/7531=2 HG2 GLU 88 - H GLU 95 lone 2 70 - 2 - HG2 GLU 75 - H GLU 95 lone 2 81 - 2 - HG3 GLU 75 - H GLU 95 lone 1 73 - 2 - Peak 7541 from nnoeabs.peaks (2.27, 8.36, 118.50 ppm; 3.75 A): 4 out of 5 assignments used, quality = 0.95: * HG2 GLU 95 + H GLU 95 OK 86 100 - 86 - 4.8=48, 1.8/4307=28...(10) HG2 GLU 23 + H GLU 95 OK 36 100 - 37 - 4300=7, 4278/3.0=7...(11) HG3 GLU 62 + H GLU 95 OK 30 96 - 31 - 4300=5, 4278/3.0=5...(12) HG2 GLU 62 + H GLU 95 OK 30 96 - 31 - 4300=5, 4278/3.0=5...(12) HG2 GLU 37 - H GLU 95 lone 2 84 - 3 - Peak 7542 from nnoeabs.peaks (2.52, 8.36, 118.50 ppm; 3.34 A): 4 out of 6 assignments used, quality = 0.85: * HG3 GLU 95 + H GLU 95 OK 76 100 - 76 - 4.8=33, 4308/3.0=17...(11) HG3 GLN 72 + H GLU 95 OK 21 87 - 24 - 4279/3.0=4, 3.0/7540=4...(11) HG2 MET 74 + H GLU 95 OK 12 100 - 12 - 4279/3.0=3, 4290/4.0=2...(5) HG3 GLU 63 + H GLU 95 OK 12 92 - 13 - 4290/4.0=3, 4279/3.0=3...(4) HB2 ASP 61 - H GLU 95 lone 1 73 - 1 - HB3 ASP 36 - H GLU 95 lone 1 61 - 1 - Peak 7543 from nnoeabs.peaks (8.21, 8.36, 118.50 ppm; 3.25 A): 3 out of 4 assignments used, quality = 0.87: * H PHE 96 + H GLU 95 OK 65 100 - 65 - 4.5=36, 4.6/7540=8...(12) H SER 97 + H GLU 95 OK 50 99 - 51 - 7568/3.0=15, 7567=8...(12) H GLU 104 + H GLU 95 OK 25 99 - 24 - 7550=6, 7551/3.0=3...(9) H GLU 43 - H GLU 95 poor 8 61 - 13 - 2.9/7524=4, 7522/4.6=2...(4) Peak 7544 from nnoeabs.peaks (8.22, 8.36, 118.50 ppm; 3.25 A): 3 out of 3 assignments used, quality = 0.87: H PHE 96 + H GLU 95 OK 64 99 - 65 - 4.5=36, 4.6/7540=8...(12) * H SER 97 + H GLU 95 OK 51 100 - 51 - 7568/3.0=16, 7567=8...(12) H GLU 104 + H GLU 95 OK 25 100 - 24 - 7550=6, 7551/3.0=3...(9) Peak 7545 from nnoeabs.peaks (8.21, 8.21, 120.37 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H PHE 96 + H PHE 96 OK 100 100 - 100 H GLU 104 + H GLU 104 OK 89 89 - 100 Peak 7546 from nnoeabs.peaks (4.82, 8.21, 120.37 ppm; 4.25 A): 3 out of 4 assignments used, quality = 0.70: * HA TRP 92 + H PHE 96 OK 56 100 - 57 - 7525/4.5=17, 4284/4.6=13...(8) HA ASN 60 + H PHE 96 OK 20 97 - 21 - 4284/4.6=7, 7525/4.5=6...(4) HA TRP 92 + H GLU 104 OK 12 90 - 13 - 3.6/7550=3, 7525/7544=2...(7) HA ASN 60 - H GLU 104 lone 3 85 - 4 - Peak 7547 from nnoeabs.peaks (3.54, 8.21, 120.37 ppm; 3.91 A): 2 out of 2 assignments used, quality = 0.85: * HA ILE 93 + H PHE 96 OK 80 100 - 80 - 4128/4.1=21, 4325/4.1=21...(13) HA ILE 93 + H GLU 104 OK 26 90 - 28 - 4126=7, 3.6/7548=6...(11) Peak 7548 from nnoeabs.peaks (8.26, 8.21, 120.37 ppm; 2.85 A): 2 out of 8 assignments used, quality = 0.53: * H LYS 94 + H PHE 96 OK 44 100 - 44 - 7522=15, 3.6/7547=10...(12) H LYS 94 + H GLU 104 OK 16 90 - 18 - 7522=7, 3.6/7547=3...(4) H ALA 71 - H PHE 96 lone 9 99 - 9 - 7528/4.5=2, 7158/3.6=2 H GLU 23 - H GLU 104 poor 8 73 - 11 - 4466/3.6=1, 4474/4.3=1...(5) H PHE 45 - H PHE 96 lone 8 99 - 8 - 3.0/7556=2, 6728/3.0=2 H GLU 23 - H PHE 96 lone 6 87 - 7 - 7528/4.5=1, 6366/4.6=1 H ALA 71 - H GLU 104 lone 2 89 - 2 - H PHE 45 - H GLU 104 lone 1 89 - 2 - Peak 7549 from nnoeabs.peaks (3.87, 8.21, 120.37 ppm; 4.91 A): 8 out of 18 assignments used, quality = 0.92: * HA LYS 94 + H PHE 96 OK 70 100 - 71 - 3.0/7548=22, 3.6/7544=19...(9) HA LYS 94 + H GLU 104 OK 27 90 - 29 - 3.0/7548=8, 4181=7...(7) HA LEU 38 + H GLU 104 OK 20 83 - 24 - 1621/4.9=8, 3.8/7662=5...(5) HA2 GLY 100 + H PHE 96 OK 18 100 - 18 - 7566/4.6=5, 11014/3.6=3...(7) HA LYS 40 + H PHE 96 OK 13 100 - 13 - 11014/3.6=3, 7529/4.5=2 HA ALA 67 + H PHE 96 OK 13 87 - 15 - 11014/3.6=4, 7566/4.6=3 HA LEU 38 + H PHE 96 OK 12 96 - 13 - 7566/4.6=2, 11014/3.6=2 HA2 GLY 101 + H PHE 96 OK 11 100 - 11 - 11014/3.6=3, 7529/4.5=2...(4) HA2 GLY 100 - H GLU 104 lone 9 90 - 9 - ~10097=2, 10098/3.0=2, ~7620=1 HA LYS 12 - H PHE 96 lone 8 90 - 9 - 11014/3.6=2, 7529/4.5=1 HA GLU 43 - H PHE 96 poor 8 70 - 11 - 11014/3.6=2, 7529/4.5=2...(4) HB3 SER 49 - H PHE 96 lone 6 94 - 7 - 11014/3.6=1, 7529/4.5=1 HA LYS 12 - H GLU 104 lone 6 76 - 8 - 3.0/7665=2, 3.0/7665=1, ~4517=1 HA LYS 40 - H GLU 104 lone 4 90 - 4 - HA2 GLY 101 - H GLU 104 lone 4 90 - 4 - HB3 SER 49 - H GLU 104 lone 4 81 - 4 - 9071/4.9=1 HA ALA 67 - H GLU 104 lone 4 73 - 5 - 9524/4.9=1 HA GLU 43 - H GLU 104 lone 2 57 - 4 - Peak 7550 from nnoeabs.peaks (8.36, 8.21, 120.37 ppm; 3.48 A): 5 out of 6 assignments used, quality = 0.94: * H GLU 95 + H PHE 96 OK 72 100 - 73 - 4.5=45, 7540/4.6=10...(12) H ILE 93 + H PHE 96 OK 57 100 - 57 - 3.0/7547=18, 3.6/7546=11...(13) H GLU 95 + H GLU 104 OK 27 90 - 30 - 7544=9, 3.0/7551=4...(9) H TYR 4 + H PHE 96 OK 22 100 - 22 - 5.0/8076=4, 8120/8.2=3...(11) H ILE 93 + H GLU 104 OK 17 89 - 19 - 3.0/7547=6, 4.6/7548=3...(5) H TYR 4 - H GLU 104 lone 4 90 - 4 - Peak 7551 from nnoeabs.peaks (4.02, 8.21, 120.37 ppm; 4.26 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 95 + H PHE 96 OK 100 100 - 100 - 3.6=100 HA GLU 95 - H GLU 104 OK 32 90 - 35 - 4280=8, 3.0/7544=7...(9) HA LEU 70 - H PHE 96 OK 27 100 - 27 - 7538/4.5=6, 4286/4.6=5...(7) HA LEU 70 - H GLU 104 lone 6 89 - 7 - HB3 SER 59 - H PHE 96 lone 6 81 - 7 - 4286/4.6=2, 4294/4.6=1 HB3 SER 59 - H GLU 104 lone 1 67 - 2 - Peak 7552 from nnoeabs.peaks (2.20, 8.21, 120.37 ppm; 3.57 A): 4 out of 20 assignments used, quality = 0.84: * HB2 GLU 95 + H PHE 96 OK 66 100 - 66 - 4.6=47, 4.0/7544=10...(7) HG2 GLU 98 + H PHE 96 OK 27 90 - 30 - 5.2/7563=7, 4.9/7600=5...(10) HB2 GLU 95 + H GLU 104 OK 24 90 - 26 - 4291=5, 3.0/7551=4...(7) HG2 GLU 99 + H PHE 96 OK 17 70 - 24 - 4.7/7600=5, 11025/3.0=3...(11) HB2 GLU 63 - H PHE 96 lone 9 97 - 9 - 4276/3.6=3, 4295/4.6=2...(4) HG2 MET 1 - H PHE 96 lone 5 98 - 5 - 8017/8076=2 HG3 PRO 86 - H PHE 96 lone 5 94 - 5 - 4092/7546=1 HG2 GLU 35 - H PHE 96 lone 5 96 - 5 - 7539/4.5=1 HG3 GLU 35 - H PHE 96 lone 5 96 - 5 - 7539/4.5=1 HG2 GLU 98 - H GLU 104 lone 4 76 - 5 - 5.2/7563=2, 4.9/7600=1 HG2 GLU 43 - H PHE 96 lone 3 73 - 4 - HG2 GLU 99 - H GLU 104 lone 3 57 - 5 - 4.7/7600=1 HB2 GLU 63 - H GLU 104 lone 2 85 - 3 - HG2 GLU 35 - H GLU 104 lone 2 83 - 2 - HG3 GLU 35 - H GLU 104 lone 2 83 - 2 - HG3 PRO 86 - H GLU 104 lone 2 81 - 2 - HB3 GLU 75 - H PHE 96 lone 2 77 - 2 - HG2 MET 1 - H GLU 104 lone 1 86 - 1 - HB3 GLU 75 - H GLU 104 lone 1 64 - 1 - HG2 GLU 43 - H GLU 104 lone 1 60 - 1 - Peak 7553 from nnoeabs.peaks (2.16, 8.21, 120.37 ppm; 3.57 A): 4 out of 18 assignments used, quality = 0.92: * HB3 GLU 95 + H PHE 96 OK 71 100 - 71 - 4.6=47, 4277/3.6=15...(8) HG2 GLU 104 + H GLU 104 OK 52 76 - 69 - 4.9=38, 3.0/4528=17...(6) HB3 GLU 95 + H GLU 104 OK 25 90 - 28 - 1.8/7552=5, 4299=4...(8) HB3 GLU 23 + H GLU 104 OK 25 87 - 28 - 4518/3.0=4, 4532/4.0=3...(12) HG2 GLU 104 - H PHE 96 OK 23 90 - 26 - 4535=5, 3.0/4528=5...(7) HB3 GLU 23 - H PHE 96 OK 22 99 - 22 - 4277/3.6=5, 4288/4.6=4...(7) HB2 GLN 72 - H PHE 96 OK 12 99 - 13 - 4277/3.6=4, 7540/4.5=3...(4) HG2 GLU 88 - H GLU 104 OK 11 57 - 20 - 4518/3.0=4, 4532/4.0=4...(8) HB3 GLU 16 - H PHE 96 lone 6 97 - 6 - 4277/3.6=2, 4288/4.6=1 HG2 GLU 88 - H PHE 96 lone 3 70 - 5 - 3.0/4521=1 HB2 GLN 72 - H GLU 104 lone 3 87 - 3 - HB3 GLN 50 - H GLU 104 lone 3 60 - 4 - 12293/4.9=3 HB3 GLU 16 - H GLU 104 lone 2 85 - 3 - HB3 GLN 50 - H PHE 96 lone 1 73 - 2 - HG2 GLU 75 - H PHE 96 lone 1 81 - 2 - HG3 GLU 75 - H PHE 96 lone 1 73 - 2 - HG2 GLU 75 - H GLU 104 lone 1 67 - 1 - HG3 GLU 75 - H GLU 104 lone 0 60 - 1 - Peak 7554 from nnoeabs.peaks (2.27, 8.21, 120.37 ppm; 4.82 A): 6 out of 10 assignments used, quality = 0.95: * HG2 GLU 95 + H PHE 96 OK 65 100 - 65 - 4278/3.6=19, 2.9/4291=17...(7) HG2 GLU 23 + H PHE 96 OK 36 100 - 37 - 4278/3.6=8, 4289/4.6=8...(10) HG2 GLU 95 + H GLU 104 OK 35 90 - 38 - 1.8/4313=9, 2.9/4291=7...(8) HG2 GLU 23 + H GLU 104 OK 32 90 - 35 - 4306=4, 5.0/7656=4...(14) HG2 GLU 62 + H GLU 104 OK 29 83 - 35 - ~2742=6, ~2735=5...(10) HG3 GLU 62 + H GLU 104 OK 29 83 - 35 - ~2742=6, ~2735=5...(10) HG3 GLU 62 - H PHE 96 OK 23 96 - 24 - 4278/3.6=6, 7541/4.5=5...(6) HG2 GLU 62 - H PHE 96 OK 23 96 - 24 - 4278/3.6=6, 7541/4.5=5...(6) HG2 GLU 37 - H GLU 104 lone 3 70 - 5 - HG2 GLU 37 - H PHE 96 lone 3 84 - 3 - Peak 7555 from nnoeabs.peaks (2.52, 8.21, 120.37 ppm; 5.31 A): 5 out of 12 assignments used, quality = 0.95: * HG3 GLU 95 + H PHE 96 OK 82 100 - 82 - 4308/3.6=32, 4309/4.6=26...(9) HG3 GLU 95 + H GLU 104 OK 41 90 - 46 - 4313=11, 2.9/4291=8...(11) HG3 GLN 72 + H PHE 96 OK 25 87 - 29 - 4279/3.6=7, 4290/4.6=7...(6) HG2 MET 74 + H PHE 96 OK 20 100 - 20 - 4279/3.6=6, 4290/4.6=4...(6) HG3 GLU 63 + H PHE 96 OK 20 92 - 22 - 4290/4.6=6, 4279/3.6=5...(5) HG3 GLN 72 - H GLU 104 lone 5 73 - 7 - HG3 GLU 63 - H GLU 104 lone 5 78 - 6 - ~8479=2 HG2 MET 74 - H GLU 104 lone 4 90 - 4 - HB2 ASP 61 - H PHE 96 lone 2 73 - 3 - HB3 ASP 36 - H GLU 104 lone 2 50 - 4 - 3.0/7657=2 HB3 ASP 36 - H PHE 96 lone 2 61 - 3 - HB2 ASP 61 - H GLU 104 lone 1 60 - 2 - Peak 7556 from nnoeabs.peaks (4.51, 8.21, 120.37 ppm; 3.58 A): 1 out of 4 assignments used, quality = 1.00: * HA PHE 96 + H PHE 96 OK 100 100 - 100 - 3.0=100 HA PHE 96 - H GLU 104 OK 22 90 - 24 - 3.0/7558=6, 4314=6...(7) HA PHE 45 - H PHE 96 OK 20 97 - 20 - 4327/4.1=3, 4336/4.1=3...(7) HA PHE 45 - H GLU 104 lone 2 85 - 3 - Peak 7557 from nnoeabs.peaks (3.10, 8.21, 120.37 ppm; 3.25 A): 3 out of 6 assignments used, quality = 0.88: * HB2 PHE 96 + H PHE 96 OK 77 100 - 77 - 4.1=51, 1.8/7558=28...(11) HB2 TRP 92 + H PHE 96 OK 34 100 - 34 - 3.0/7546=11, 4316/3.0=5...(9) HB2 PHE 96 + H GLU 104 OK 19 90 - 20 - 1.8/7558=7, 4326=4...(6) HB2 TRP 92 - H GLU 104 lone 6 90 - 7 - 3.0/7546=2, 4.5/7550=1 HD3 ARG 30 - H PHE 96 lone 5 77 - 6 - 4316/3.0=1 HD3 ARG 30 - H GLU 104 lone 1 64 - 2 - Peak 7558 from nnoeabs.peaks (3.47, 8.21, 120.37 ppm; 3.28 A): 2 out of 2 assignments used, quality = 0.80: * HB3 PHE 96 + H PHE 96 OK 75 100 - 75 - 4.1=53, 1.8/7557=19...(9) HB3 PHE 96 + H GLU 104 OK 18 90 - 19 - 4335=5, 1.8/7557=5...(7) Peak 7559 from nnoeabs.peaks (7.03, 8.21, 120.37 ppm; 4.04 A): 2 out of 4 assignments used, quality = 0.96: HD2 PHE 96 + H PHE 96 OK 80 100 - 81 - 5.3=43, 3.7/7558=25...(14) * HD1 PHE 96 + H PHE 96 OK 79 100 - 79 - 5.6=38, 3.7/7558=25...(14) HD2 PHE 96 - H GLU 104 OK 19 90 - 20 - 3.7/7558=6, 3.7/7557=4...(6) HD1 PHE 96 - H GLU 104 OK 19 90 - 20 - 3.7/7558=6, 3.7/7557=4...(6) Peak 7562 from nnoeabs.peaks (8.22, 8.21, 120.37 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: H PHE 96 + H PHE 96 OK 99 99 - 100 H GLU 104 + H GLU 104 OK 90 90 - 100 Reference assignment not found: H SER 97 - H PHE 96 Peak 7563 from nnoeabs.peaks (7.66, 8.21, 120.37 ppm; 5.66 A): 2 out of 2 assignments used, quality = 0.93: * H GLU 98 + H PHE 96 OK 90 100 - 91 - 7579/4.6=41, 4281/3.6=40...(11) H GLU 98 + H GLU 104 OK 25 90 - 27 - 3.6/4343=6, 7584=4...(8) Peak 7564 from nnoeabs.peaks (8.22, 8.22, 111.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 97 + H SER 97 OK 100 100 - 100 Peak 7565 from nnoeabs.peaks (3.54, 8.22, 111.97 ppm; 4.47 A): 1 out of 1 assignment used, quality = 0.83: * HA ILE 93 + H SER 97 OK 83 100 - 83 - 4128/4.2=27, 4325/4.2=27...(16) Peak 7566 from nnoeabs.peaks (3.87, 8.22, 111.97 ppm; 4.03 A): 4 out of 9 assignments used, quality = 0.84: * HA LYS 94 + H SER 97 OK 70 100 - 70 - 4181=21, 4182/4.1=20...(11) HA2 GLY 100 + H SER 97 OK 29 100 - 29 - ~7616=8, ~4348=6...(7) HA ALA 67 + H SER 97 OK 16 87 - 18 - 2.1/10063=4, 4355/4.1=3...(7) HA LEU 38 + H SER 97 OK 12 96 - 12 - 3.0/10062=4, 4355/4.1=2...(4) HA LYS 40 - H SER 97 lone 9 100 - 9 - 4349/4.1=1, 4355/4.1=1 HA2 GLY 101 - H SER 97 lone 8 100 - 8 - 4349/4.1=2, 4355/4.1=1...(4) HA GLU 43 - H SER 97 lone 6 70 - 8 - 3.0/10062=3 HA LYS 12 - H SER 97 lone 5 90 - 6 - HB3 SER 49 - H SER 97 lone 4 94 - 4 - Peak 7567 from nnoeabs.peaks (8.36, 8.22, 111.97 ppm; 4.61 A): 2 out of 3 assignments used, quality = 0.94: * H GLU 95 + H SER 97 OK 80 100 - 80 - 3.0/7568=30, 7544=18...(16) H ILE 93 + H SER 97 OK 70 100 - 71 - 3.0/7565=34, 7484/4.2=13...(13) H TYR 4 - H SER 97 OK 24 100 - 23 - 5.0/8076=10, 7550/4.6=3...(6) Peak 7568 from nnoeabs.peaks (4.02, 8.22, 111.97 ppm; 3.95 A): 2 out of 3 assignments used, quality = 0.61: * HA GLU 95 + H SER 97 OK 55 100 - 55 - 4281/4.6=17, 3.0/7544=13...(12) HA LEU 70 + H SER 97 OK 13 100 - 13 - 7551/4.6=3, 7583/4.6=3...(6) HB3 SER 59 - H SER 97 lone 3 81 - 3 - Peak 7569 from nnoeabs.peaks (8.21, 8.22, 111.97 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: H SER 97 + H SER 97 OK 99 99 - 100 Reference assignment not found: H PHE 96 - H SER 97 Peak 7570 from nnoeabs.peaks (4.51, 8.22, 111.97 ppm; 4.26 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 96 + H SER 97 OK 100 100 - 100 - 3.6=100 HA PHE 45 - H SER 97 OK 19 97 - 19 - 4327/4.2=5, 4336/4.2=5...(5) Peak 7571 from nnoeabs.peaks (3.10, 8.22, 111.97 ppm; 3.55 A): 2 out of 3 assignments used, quality = 0.88: * HB2 PHE 96 + H SER 97 OK 83 100 - 83 - 4.2=62, 1.8/7572=31...(8) HB2 TRP 92 + H SER 97 OK 27 100 - 28 - 9987/10065=6, 4.5/7567=6...(7) HD3 ARG 30 - H SER 97 lone 5 77 - 6 - 2.9/7580=1, 4316/3.6=1 Peak 7572 from nnoeabs.peaks (3.47, 8.22, 111.97 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.95: * HB3 PHE 96 + H SER 97 OK 95 100 - 95 - 4.2=85, 1.8/7571=31...(8) Peak 7573 from nnoeabs.peaks (7.03, 8.22, 111.97 ppm; 4.18 A): 2 out of 2 assignments used, quality = 0.91: HD2 PHE 96 + H SER 97 OK 71 100 - 71 - 3.7/7572=28, 3.7/7571=22...(14) * HD1 PHE 96 + H SER 97 OK 70 100 - 70 - 3.7/7572=28, 3.7/7571=22...(14) Peak 7576 from nnoeabs.peaks (3.82, 8.22, 111.97 ppm; 3.31 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 97 + H SER 97 OK 100 100 - 100 - 3.0=100 HA ALA 22 - H SER 97 OK 13 92 - 14 - 4351/4.1=2, 10998/7565=1...(5) HA ARG 19 - H SER 97 OK 12 97 - 12 - 3.6/7580=2, ~800=1...(6) HA LYS 68 - H SER 97 poor 9 90 - 10 - 4.9/10063=1, 4357/4.1=1...(5) HB3 SER 102 - H SER 97 lone 8 98 - 8 - 4.5/7654=3 Peak 7577 from nnoeabs.peaks (3.95, 8.22, 111.97 ppm; 3.11 A): 1 out of 2 assignments used, quality = 0.80: * HB2 SER 97 + H SER 97 OK 80 100 - 80 - 4.1=45, 1.8/7578=28...(9) HA GLU 44 - H SER 97 lone 3 84 - 3 - Peak 7578 from nnoeabs.peaks (3.98, 8.22, 111.97 ppm; 3.12 A): 1 out of 5 assignments used, quality = 0.82: * HB3 SER 97 + H SER 97 OK 82 100 - 82 - 4.1=45, 1.8/7577=33...(8) HD2 PRO 86 - H SER 97 lone 6 97 - 6 - 4346/3.0=2 HD3 PRO 86 - H SER 97 lone 6 96 - 6 - 4346/3.0=2 HA GLU 69 - H SER 97 lone 4 90 - 4 - 4346/3.0=1 HA GLU 75 - H SER 97 lone 1 70 - 1 - Peak 7579 from nnoeabs.peaks (7.66, 8.22, 111.97 ppm; 3.40 A): 1 out of 1 assignment used, quality = 0.74: * H GLU 98 + H SER 97 OK 74 100 - 74 - 4.6=41, 7588/4.1=17...(11) Peak 7580 from nnoeabs.peaks (7.79, 8.22, 111.97 ppm; 4.73 A): 3 out of 6 assignments used, quality = 0.87: * H GLU 99 + H SER 97 OK 79 100 - 79 - 7602/4.6=31, 7599/3.6=24...(10) H GLU 28 + H SER 97 OK 24 99 - 24 - 4.7/10064=7, 4.4/10063=7...(6) H LYS 20 + H SER 97 OK 17 100 - 17 - 6299/3.0=6, 7595/4.6=3...(5) HE ARG 30 - H SER 97 lone 10 99 - 9 - 4322/3.6=3, 2.9/7571=2...(4) H LYS 66 - H SER 97 lone 7 96 - 7 - 7595/4.6=1 H SER 9 - H SER 97 lone 2 70 - 2 - Peak 7581 from nnoeabs.peaks (7.66, 7.66, 120.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 98 + H GLU 98 OK 100 100 - 100 Peak 7582 from nnoeabs.peaks (3.87, 7.66, 120.59 ppm; 4.42 A): 3 out of 9 assignments used, quality = 0.73: * HA LYS 94 + H GLU 98 OK 52 100 - 52 - 4182/4.5=21, 4183/4.5=17...(7) HA2 GLY 100 + H GLU 98 OK 35 100 - 36 - 2.9/7596=15, ~7618=9...(5) HA ALA 67 + H GLU 98 OK 14 87 - 17 - 2.1/11020=3, 4355/4.5=3...(6) HA LYS 40 - H GLU 98 lone 9 100 - 9 - 7566/4.6=1, 4349/4.5=1 HA2 GLY 101 - H GLU 98 lone 8 100 - 8 - 4349/4.5=2, 7625/7596=2...(4) HA LEU 38 - H GLU 98 lone 8 96 - 8 - 7566/4.6=2, 4355/4.5=2 HA LYS 12 - H GLU 98 lone 4 90 - 5 - HB3 SER 49 - H GLU 98 lone 4 94 - 4 - HA GLU 43 - H GLU 98 lone 4 70 - 5 - Peak 7583 from nnoeabs.peaks (4.02, 7.66, 120.59 ppm; 3.91 A): 2 out of 3 assignments used, quality = 0.69: * HA GLU 95 + H GLU 98 OK 66 100 - 66 - 4281=30, 7568/4.6=15...(10) HA LEU 70 + H GLU 98 OK 10 100 - 10 - 7568/4.6=4, 7598/4.6=2 HB3 SER 59 - H GLU 98 lone 2 81 - 3 - Peak 7584 from nnoeabs.peaks (8.21, 7.66, 120.59 ppm; 3.32 A): 3 out of 4 assignments used, quality = 0.90: H SER 97 + H GLU 98 OK 75 99 - 75 - 7579=46, 4.1/7588=16...(11) * H PHE 96 + H GLU 98 OK 54 100 - 54 - 3.6/7583=15, 4.6/7579=15...(10) H GLU 104 + H GLU 98 OK 11 99 - 11 - 4343/3.6=2, 7563=2...(6) H GLU 43 - H GLU 98 lone 1 61 - 2 - Peak 7585 from nnoeabs.peaks (4.51, 7.66, 120.59 ppm; 4.90 A): 2 out of 2 assignments used, quality = 0.77: * HA PHE 96 + H GLU 98 OK 73 100 - 73 - 3.6/7579=41, 7599/4.6=21...(7) HA PHE 45 + H GLU 98 OK 16 97 - 16 - 7599/4.6=5, 7570/4.6=5...(6) Peak 7586 from nnoeabs.peaks (8.22, 7.66, 120.59 ppm; 3.32 A): 3 out of 3 assignments used, quality = 0.90: * H SER 97 + H GLU 98 OK 75 100 - 75 - 7579=46, 4.1/7588=16...(11) H PHE 96 + H GLU 98 OK 53 99 - 54 - 3.6/7583=15, 4.6/7579=15...(10) H GLU 104 + H GLU 98 OK 11 100 - 11 - 4343/3.6=3, 7563=2...(6) Peak 7587 from nnoeabs.peaks (3.82, 7.66, 120.59 ppm; 3.96 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 97 + H GLU 98 OK 100 100 - 100 - 3.6=100 HA ARG 19 - H GLU 98 OK 15 97 - 16 - 7601/4.6=4, 3.6/7595=3...(6) HA LYS 68 - H GLU 98 OK 13 90 - 15 - 4.8/7582=2, 11022/2.9=2...(9) HA ALA 22 - H GLU 98 OK 13 92 - 14 - 7601/4.6=2, 4351/4.5=2...(6) HB3 SER 102 - H GLU 98 lone 6 98 - 6 - 7576/4.6=1, 7601/4.6=1...(4) Peak 7588 from nnoeabs.peaks (3.95, 7.66, 120.59 ppm; 3.64 A): 1 out of 2 assignments used, quality = 0.85: * HB2 SER 97 + H GLU 98 OK 85 100 - 85 - 4.5=52, 4345/3.6=28...(9) HA GLU 44 - H GLU 98 lone 3 84 - 3 - Peak 7589 from nnoeabs.peaks (3.98, 7.66, 120.59 ppm; 3.76 A): 1 out of 5 assignments used, quality = 0.89: * HB3 SER 97 + H GLU 98 OK 89 100 - 89 - 4.5=57, 1.8/7588=37...(8) HD2 PRO 86 - H GLU 98 lone 9 97 - 9 - 4346/3.6=2, 4.9/7590=2...(4) HD3 PRO 86 - H GLU 98 lone 8 96 - 8 - 4346/3.6=2, 4.9/7590=2...(4) HA GLU 69 - H GLU 98 lone 6 90 - 7 - 11023/2.9=2, 4.9/7587=1 HA GLU 75 - H GLU 98 lone 2 70 - 2 - 11023/2.9=1 Peak 7590 from nnoeabs.peaks (4.19, 7.66, 120.59 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 98 + H GLU 98 OK 100 100 - 100 - 2.9=100 HB3 SER 85 - H GLU 98 lone 10 100 - 10 - 7603/4.6=2, 4392/5.2=1 HA LYS 73 - H GLU 98 lone 1 73 - 1 - Peak 7591 from nnoeabs.peaks (2.04, 7.66, 120.59 ppm; 2.97 A): 4 out of 10 assignments used, quality = 0.97: * HB2 GLU 98 + H GLU 98 OK 68 100 - 68 - 4.0=40, 3.0/7594=18...(8) HB3 GLU 98 + H GLU 98 OK 68 100 - 68 - 4.0=40, 3.0/7594=18...(8) HB2 GLU 99 + H GLU 98 OK 44 100 - 44 - 3.9/7602=15, 4369=7...(13) HB3 GLU 99 + H GLU 98 OK 43 97 - 44 - 3.9/7602=15, 4377=6...(13) HG12 ILE 93 - H GLU 98 lone 7 97 - 7 - 3.2/11021=3, 1.8/11021=2 HB3 GLU 48 - H GLU 98 lone 2 100 - 2 - HB2 MET 21 - H GLU 98 lone 1 98 - 1 - HG2 GLU 28 - H GLU 98 lone 1 61 - 2 - 5.0/7595=1 HG3 GLU 28 - H GLU 98 lone 1 61 - 2 - 5.0/7595=1 HB2 MET 74 - H GLU 98 lone 1 65 - 1 - Peak 7592 from nnoeabs.peaks (2.04, 7.66, 120.59 ppm; 2.97 A): 4 out of 8 assignments used, quality = 0.97: * HB3 GLU 98 + H GLU 98 OK 68 100 - 68 - 4.0=40, 3.0/7594=18...(8) HB2 GLU 98 + H GLU 98 OK 68 100 - 68 - 4.0=40, 3.0/7594=18...(8) HB2 GLU 99 + H GLU 98 OK 44 100 - 44 - 3.9/7602=15, 4369=7...(13) HB3 GLU 99 + H GLU 98 OK 43 98 - 44 - 3.9/7602=15, 4377=6...(13) HG12 ILE 93 - H GLU 98 lone 7 98 - 7 - 3.2/11021=3, 1.8/11021=2 HB3 GLU 48 - H GLU 98 lone 2 99 - 2 - HB2 MET 21 - H GLU 98 lone 1 97 - 1 - HB2 MET 74 - H GLU 98 lone 1 61 - 1 - Peak 7593 from nnoeabs.peaks (2.21, 7.66, 120.59 ppm; 3.58 A): 3 out of 7 assignments used, quality = 0.94: * HG2 GLU 98 + H GLU 98 OK 81 100 - 81 - 1.8/7594=34, 5.2=33...(11) HG2 GLU 99 + H GLU 98 OK 54 98 - 55 - 4.7/7602=17, 4384=11...(15) HB2 GLU 95 + H GLU 98 OK 34 90 - 38 - 3.0/7583=21, 4.6/7563=8...(6) HB2 GLU 63 - H GLU 98 lone 2 65 - 2 - HG2 MET 1 - H GLU 98 lone 1 70 - 2 - HG2 GLU 35 - H GLU 98 lone 1 61 - 2 - HG3 GLU 35 - H GLU 98 lone 1 61 - 2 - Peak 7594 from nnoeabs.peaks (2.47, 7.66, 120.59 ppm; 3.34 A): 1 out of 4 assignments used, quality = 0.70: * HG3 GLU 98 + H GLU 98 OK 70 100 - 70 - 5.2=27, 4366/2.9=23...(9) HG3 GLU 23 - H GLU 98 lone 4 70 - 6 - 10060/4.6=2, 12338/3.6=1 HD2 ARG 91 - H GLU 98 lone 4 84 - 4 - 4366/2.9=1 HB3 TYR 4 - H GLU 98 lone 2 77 - 3 - Peak 7595 from nnoeabs.peaks (7.79, 7.66, 120.59 ppm; 3.24 A): 3 out of 6 assignments used, quality = 0.77: * H GLU 99 + H GLU 98 OK 71 100 - 71 - 7602=44, 4.9/4391=11...(14) H GLU 28 + H GLU 98 OK 11 99 - 11 - 4.4/11020=2, 4.7/11021=2...(4) H LYS 20 + H GLU 98 OK 10 100 - 10 - 6299/3.6=2, 4367/2.9=2...(4) H LYS 66 - H GLU 98 lone 4 96 - 4 - HE ARG 30 - H GLU 98 lone 3 99 - 3 - H SER 9 - H GLU 98 lone 1 70 - 1 - Peak 7596 from nnoeabs.peaks (8.14, 7.66, 120.59 ppm; 5.28 A): 4 out of 4 assignments used, quality = 0.88: * H GLY 100 + H GLU 98 OK 81 100 - 81 - 4.6/7602=37, 7616/3.6=23...(10) H HIS 106 + H GLU 98 OK 20 73 - 28 - 11026/2.9=20, 7613/4.6=4...(4) H ASP 87 + H GLU 98 OK 14 97 - 14 - 4348/3.6=3, 7613/4.6=3 H TRP 92 + H GLU 98 OK 12 100 - 12 - 7613/4.6=3, 4348/3.6=3 Peak 7597 from nnoeabs.peaks (7.79, 7.79, 120.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 99 + H GLU 99 OK 100 100 - 100 Peak 7598 from nnoeabs.peaks (4.02, 7.79, 120.07 ppm; 5.27 A): 2 out of 3 assignments used, quality = 0.72: * HA GLU 95 + H GLU 99 OK 67 100 - 68 - 4281/4.6=30, 3.6/7600=15...(11) HA LEU 70 + H GLU 99 OK 13 100 - 13 - 7583/4.6=4, 7568/7580=2...(4) HB3 SER 59 - H GLU 99 lone 4 81 - 5 - 7583/4.6=1 Peak 7599 from nnoeabs.peaks (4.51, 7.79, 120.07 ppm; 4.63 A): 2 out of 2 assignments used, quality = 0.79: * HA PHE 96 + H GLU 99 OK 75 100 - 75 - 4322=32, 7585/4.6=18...(12) HA PHE 45 + H GLU 99 OK 17 97 - 17 - 7585/4.6=4, 11025/4.7=2...(9) Peak 7600 from nnoeabs.peaks (8.22, 7.79, 120.07 ppm; 4.70 A): 3 out of 3 assignments used, quality = 0.93: * H SER 97 + H GLU 99 OK 78 100 - 78 - 4.6/7602=31, 7580=28...(9) H PHE 96 + H GLU 99 OK 65 99 - 66 - 3.0/7599=27, 3.6/7598=20...(10) H GLU 104 + H GLU 99 OK 16 100 - 15 - 7563/4.6=4, 3.0/7608=3...(5) Peak 7601 from nnoeabs.peaks (3.82, 7.79, 120.07 ppm; 4.99 A): 5 out of 5 assignments used, quality = 0.91: * HA SER 97 + H GLU 99 OK 75 100 - 75 - 3.6/7602=42, 3.0/7580=21...(6) HA ARG 19 + H GLU 99 OK 38 97 - 39 - 3.0/6291=5, 3.0/807=5...(13) HA ALA 22 + H GLU 99 OK 26 92 - 28 - 3.0/6343=6, 10447/3.0=5...(8) HA LYS 68 + H GLU 99 OK 15 90 - 17 - 7587/4.6=3, 11022/3.6=3...(5) HB3 SER 102 + H GLU 99 OK 11 98 - 11 - 7616/4.6=3...(4) Peak 7602 from nnoeabs.peaks (7.66, 7.79, 120.07 ppm; 3.39 A): 1 out of 1 assignment used, quality = 0.71: * H GLU 98 + H GLU 99 OK 71 100 - 71 - 4.6=39, 4391/4.9=12...(14) Peak 7603 from nnoeabs.peaks (4.19, 7.79, 120.07 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 98 + H GLU 99 OK 100 100 - 100 - 3.6=100 HB3 SER 85 - H GLU 99 OK 14 100 - 13 - 7618/4.6=4, 4392/4.9=2...(4) HA LYS 73 - H GLU 99 lone 2 73 - 2 - Peak 7604 from nnoeabs.peaks (2.04, 7.79, 120.07 ppm; 2.93 A): 4 out of 10 assignments used, quality = 0.98: HB2 GLU 99 + H GLU 99 OK 68 100 - 68 - 3.9=44, 3.0/7612=12...(11) HB3 GLU 99 + H GLU 99 OK 65 97 - 67 - 3.9=44, 3.0/7612=12...(11) * HB2 GLU 98 + H GLU 99 OK 61 100 - 61 - 4.6=26, 4.0/7602=14...(14) HB3 GLU 98 + H GLU 99 OK 61 100 - 61 - 4.6=26, 4.0/7602=14...(14) HB3 GLU 48 - H GLU 99 lone 8 100 - 8 - 3.0/7612=2 HB2 MET 21 - H GLU 99 lone 4 98 - 4 - 4.0/6322=1, 4.6/6343=1 HG12 ILE 93 - H GLU 99 lone 3 97 - 4 - HG3 GLU 28 - H GLU 99 lone 2 61 - 4 - HG2 GLU 28 - H GLU 99 lone 2 61 - 4 - HB2 MET 74 - H GLU 99 lone 1 65 - 1 - Peak 7605 from nnoeabs.peaks (2.04, 7.79, 120.07 ppm; 2.93 A): 4 out of 8 assignments used, quality = 0.98: HB2 GLU 99 + H GLU 99 OK 68 100 - 68 - 3.9=44, 3.0/7612=12...(11) HB3 GLU 99 + H GLU 99 OK 66 98 - 67 - 3.9=44, 3.0/7612=12...(11) HB2 GLU 98 + H GLU 99 OK 61 100 - 61 - 4.6=26, 4.0/7602=14...(14) * HB3 GLU 98 + H GLU 99 OK 61 100 - 61 - 4.6=26, 4.0/7602=14...(14) HB3 GLU 48 - H GLU 99 lone 8 99 - 8 - 3.0/7612=2 HB2 MET 21 - H GLU 99 lone 4 97 - 4 - 4.0/6322=1, 4.6/6343=1 HG12 ILE 93 - H GLU 99 lone 4 98 - 4 - HB2 MET 74 - H GLU 99 lone 0 61 - 1 - Peak 7606 from nnoeabs.peaks (2.21, 7.79, 120.07 ppm; 3.63 A): 2 out of 7 assignments used, quality = 0.96: HG2 GLU 99 + H GLU 99 OK 80 98 - 82 - 4.7=46, 1.8/7612=24...(13) * HG2 GLU 98 + H GLU 99 OK 80 100 - 80 - 4.9=39, 1.8/7607=26...(17) HB2 GLU 95 - H GLU 99 OK 27 90 - 31 - 3.0/7598=12, 4.6/7600=6...(7) HB2 GLU 63 - H GLU 99 lone 3 65 - 5 - 3.0/2769=1, 4.6/7042=1 HG2 MET 1 - H GLU 99 lone 2 70 - 3 - 8017/10084=2 HG2 GLU 35 - H GLU 99 lone 1 61 - 2 - HG3 GLU 35 - H GLU 99 lone 1 61 - 2 - Peak 7607 from nnoeabs.peaks (2.47, 7.79, 120.07 ppm; 4.01 A): 1 out of 4 assignments used, quality = 0.88: * HG3 GLU 98 + H GLU 99 OK 88 100 - 88 - 4.9=53, 4366/3.6=27...(16) HD2 ARG 91 - H GLU 99 lone 7 84 - 8 - 4070/4.6=2, 4366/3.6=1 HB3 TYR 4 - H GLU 99 lone 6 77 - 7 - 3.0/8123=1 HG3 GLU 23 - H GLU 99 lone 4 70 - 6 - 7594/4.6=1, 10060/7580=1 Peak 7608 from nnoeabs.peaks (4.12, 7.79, 120.07 ppm; 3.56 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 99 + H GLU 99 OK 100 100 - 100 - 3.0=100 HA GLU 62 - H GLU 99 lone 10 100 - 10 - 7620/4.6=2 HA GLU 104 - H GLU 99 lone 9 100 - 9 - 3.0/7600=2, 7620/4.6=1 HA LYS 47 - H GLU 99 lone 1 57 - 2 - Peak 7609 from nnoeabs.peaks (2.04, 7.79, 120.07 ppm; 2.93 A): 4 out of 8 assignments used, quality = 0.98: * HB2 GLU 99 + H GLU 99 OK 68 100 - 68 - 3.9=44, 3.0/7612=12...(11) HB3 GLU 99 + H GLU 99 OK 66 98 - 67 - 3.9=44, 3.0/7612=12...(11) HB2 GLU 98 + H GLU 99 OK 61 100 - 61 - 4.6=26, 4.0/7602=14...(14) HB3 GLU 98 + H GLU 99 OK 61 100 - 61 - 4.6=26, 4.0/7602=14...(14) HB3 GLU 48 - H GLU 99 lone 8 99 - 8 - 3.0/7612=2 HB2 MET 21 - H GLU 99 lone 4 97 - 4 - 4.0/6322=1, 4.6/6343=1 HG12 ILE 93 - H GLU 99 lone 4 98 - 4 - HB2 MET 74 - H GLU 99 lone 0 61 - 1 - Peak 7610 from nnoeabs.peaks (2.04, 7.79, 120.07 ppm; 2.93 A): 4 out of 9 assignments used, quality = 0.98: * HB3 GLU 99 + H GLU 99 OK 67 100 - 67 - 3.9=44, 3.0/7612=12...(11) HB2 GLU 99 + H GLU 99 OK 66 98 - 68 - 3.9=44, 3.0/7612=12...(11) HB3 GLU 98 + H GLU 99 OK 59 98 - 61 - 4.6=26, 4.0/7602=14...(14) HB2 GLU 98 + H GLU 99 OK 59 97 - 61 - 4.6=26, 4.0/7602=14...(14) HB3 GLU 48 - H GLU 99 lone 7 92 - 8 - 3.0/7612=2 HG12 ILE 93 - H GLU 99 lone 4 100 - 3 - HB2 MET 21 - H GLU 99 lone 3 84 - 4 - 4.0/6322=1, 4.6/6343=1 HB2 GLN 50 - H GLU 99 lone 2 81 - 3 - HB3 LYS 94 - H GLU 99 lone 1 77 - 1 - Peak 7611 from nnoeabs.peaks (2.22, 7.79, 120.07 ppm; 3.63 A): 2 out of 4 assignments used, quality = 0.96: * HG2 GLU 99 + H GLU 99 OK 82 100 - 82 - 4.7=46, 1.8/7612=24...(13) HG2 GLU 98 + H GLU 99 OK 79 98 - 80 - 4.9=39, 1.8/7607=26...(16) HB2 GLU 95 - H GLU 99 OK 21 70 - 30 - 3.0/7598=12, 4.6/7600=6...(6) HB3 GLN 72 - H GLU 99 lone 5 81 - 5 - 3.0/7612=1 Peak 7612 from nnoeabs.peaks (2.44, 7.79, 120.07 ppm; 3.63 A): 2 out of 6 assignments used, quality = 0.83: * HG3 GLU 99 + H GLU 99 OK 79 100 - 79 - 4.7=46, 4429/3.0=17...(12) HG3 GLU 48 + H GLU 99 OK 16 94 - 17 - 4403/3.0=4, 4428=3...(6) HG3 GLU 17 - H GLU 99 lone 9 94 - 10 - 4428=2, 3.9/732=2...(4) HG3 GLN 50 - H GLU 99 lone 6 97 - 6 - 4403/3.0=2, 2307/3.9=1 HG2 GLN 72 - H GLU 99 lone 6 81 - 7 - 4403/3.0=1 HB2 ASP 11 - H GLU 99 lone 2 98 - 2 - Peak 7613 from nnoeabs.peaks (8.14, 7.79, 120.07 ppm; 3.94 A): 3 out of 4 assignments used, quality = 0.88: * H GLY 100 + H GLU 99 OK 85 100 - 85 - 4.6=62, 4.7/7612=14...(14) H HIS 106 + H GLU 99 OK 12 73 - 17 - 11026/3.6=10, 7596/4.6=2 H TRP 92 + H GLU 99 OK 11 100 - 11 - 4404/3.0=2, 7596/4.6=1 H ASP 87 - H GLU 99 lone 9 97 - 9 - 4404/3.0=2, 7596/4.6=2 Peak 7614 from nnoeabs.peaks (8.14, 8.14, 107.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 100 + H GLY 100 OK 100 100 - 100 Peak 7616 from nnoeabs.peaks (3.82, 8.14, 107.80 ppm; 4.20 A): 1 out of 5 assignments used, quality = 0.46: * HA SER 97 + H GLY 100 OK 46 100 - 46 - 3.6/7596=13...(9) HA ALA 22 - H GLY 100 poor 9 92 - 10 - 10447/3.6=3, 7601/4.6=3...(4) HA ARG 19 - H GLY 100 lone 9 97 - 9 - 7601/4.6=4, 3.6/7619=2 HB3 SER 102 - H GLY 100 lone 8 98 - 9 - 10109/10085=5...(3) HA LYS 68 - H GLY 100 lone 5 90 - 5 - 7601/4.6=2 Peak 7618 from nnoeabs.peaks (4.19, 8.14, 107.80 ppm; 5.35 A): 2 out of 3 assignments used, quality = 0.83: * HA GLU 98 + H GLY 100 OK 73 100 - 73 - 3.6/7619=31, 2.9/7596=22...(10) HB3 SER 85 + H GLY 100 OK 40 100 - 39 - 9849=11, 1.8/9846=8...(7) HA LYS 73 - H GLY 100 lone 3 73 - 4 - Peak 7619 from nnoeabs.peaks (7.79, 8.14, 107.80 ppm; 3.88 A): 2 out of 6 assignments used, quality = 0.85: * H GLU 99 + H GLY 100 OK 83 100 - 83 - 4.6=59, 7612/4.7=13...(14) H LYS 66 + H GLY 100 OK 14 96 - 14 - 7060/3.6=8, 4428/4.7=2 H LYS 20 - H GLY 100 lone 9 100 - 9 - 3.6/7616=3, 4398/3.6=1 H GLU 28 - H GLY 100 lone 4 99 - 4 - HE ARG 30 - H GLY 100 lone 3 99 - 3 - H SER 9 - H GLY 100 lone 1 70 - 1 - Peak 7620 from nnoeabs.peaks (4.12, 8.14, 107.80 ppm; 3.75 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 99 + H GLY 100 OK 100 100 - 100 - 3.6=100 HA GLU 62 - H GLY 100 OK 12 100 - 11 - 10097/2.9=3, 10098/2.9=2...(4) HA GLU 104 - H GLY 100 lone 7 100 - 7 - 7608/4.6=1, 10097/2.9=1 HA LYS 47 - H GLY 100 lone 2 57 - 4 - 10097/2.9=1 Peak 7621 from nnoeabs.peaks (2.04, 8.14, 107.80 ppm; 4.00 A): 4 out of 8 assignments used, quality = 0.99: * HB2 GLU 99 + H GLY 100 OK 80 100 - 80 - 4.7=64, 3.9/7619=18...(9) HB3 GLU 99 + H GLY 100 OK 78 98 - 80 - 4.7=64, 3.9/7619=18...(9) HB3 GLU 98 + H GLY 100 OK 51 100 - 51 - 4.6/7619=15, 3.0/7618=12...(10) HB2 GLU 98 + H GLY 100 OK 51 100 - 51 - 4.6/7619=15, 3.0/7618=12...(10) HB3 GLU 48 - H GLY 100 lone 10 99 - 10 - 3.0/7624=2, 4400/3.6=1...(4) HG12 ILE 93 - H GLY 100 lone 8 98 - 8 - 4.6/7482=3, 10103/4.6=1 HB2 MET 21 - H GLY 100 lone 3 97 - 3 - HB2 MET 74 - H GLY 100 lone 1 61 - 2 - Peak 7622 from nnoeabs.peaks (2.04, 8.14, 107.80 ppm; 4.00 A): 4 out of 9 assignments used, quality = 0.99: * HB3 GLU 99 + H GLY 100 OK 80 100 - 80 - 4.7=64, 3.9/7619=18...(9) HB2 GLU 99 + H GLY 100 OK 78 98 - 80 - 4.7=64, 3.9/7619=18...(9) HB3 GLU 98 + H GLY 100 OK 49 98 - 51 - 4.6/7619=15, 3.0/7618=12...(10) HB2 GLU 98 + H GLY 100 OK 49 97 - 51 - 4.6/7619=15, 3.0/7618=12...(10) HB3 LYS 94 - H GLY 100 OK 10 77 - 13 - 4.0/7503=3, 3.0/7625=2 HB3 GLU 48 - H GLY 100 lone 9 92 - 9 - 3.0/7624=2, 4400/3.6=1...(4) HG12 ILE 93 - H GLY 100 lone 8 100 - 8 - 4.6/7482=3, 10103/4.6=1 HB2 GLN 50 - H GLY 100 lone 4 81 - 5 - 2.9/7624=1 HB2 MET 21 - H GLY 100 lone 3 84 - 3 - Peak 7623 from nnoeabs.peaks (2.22, 8.14, 107.80 ppm; 4.96 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 99 + H GLY 100 OK 100 100 - 100 - 4.7=100 HG2 GLU 98 + H GLY 100 OK 66 98 - 68 - 4.9/7619=21, 3.9/7618=16...(10) HB2 GLU 95 - H GLY 100 OK 12 70 - 17 - 7606/4.6=4, 4402/3.6=3...(5) HB3 GLN 72 - H GLY 100 lone 6 81 - 8 - 3.0/7624=2, 4432/4.7=1 Peak 7624 from nnoeabs.peaks (2.44, 8.14, 107.80 ppm; 5.59 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLU 99 + H GLY 100 OK 100 100 - 100 - 4.7=100 HG3 GLU 48 - H GLY 100 OK 24 94 - 26 - 4403/3.6=7, 7612/4.6=5...(7) HG3 GLU 17 - H GLY 100 OK 18 94 - 19 - 4434=3, 7612/4.6=3...(8) HG3 GLN 50 - H GLY 100 OK 13 97 - 14 - 4403/3.6=3, 7612/4.6=2...(4) HG2 GLN 72 - H GLY 100 OK 11 81 - 13 - 4403/3.6=2, 7612/4.6=2...(7) HB2 ASP 11 - H GLY 100 lone 5 98 - 5 - Peak 7625 from nnoeabs.peaks (3.87, 8.14, 107.80 ppm; 3.55 A): 1 out of 9 assignments used, quality = 1.00: * HA2 GLY 100 + H GLY 100 OK 100 100 - 100 - 2.9=100 HA2 GLY 101 - H GLY 100 OK 43 100 - 43 - 3.0/7629=18, 4435=8...(10) HA LYS 40 - H GLY 100 OK 22 100 - 22 - 10552/2.9=7, ~1782=3...(7) HA LYS 94 - H GLY 100 OK 13 100 - 13 - 3.0/7503=3, 4440/2.9=1 HA LEU 38 - H GLY 100 lone 7 96 - 7 - 4440/2.9=1, ~6580=1 HA GLU 43 - H GLY 100 lone 5 70 - 7 - ~6686=1 HA ALA 67 - H GLY 100 lone 3 87 - 3 - HA LYS 12 - H GLY 100 lone 2 90 - 2 - HB3 SER 49 - H GLY 100 lone 2 94 - 2 - Peak 7626 from nnoeabs.peaks (3.71, 8.14, 107.80 ppm; 3.51 A): 1 out of 3 assignments used, quality = 1.00: * HA3 GLY 100 + H GLY 100 OK 100 100 - 100 - 2.9=100 HA LEU 42 - H GLY 100 OK 15 90 - 17 - 4437/2.9=3, ~1920=2...(7) HA GLU 37 - H GLY 100 lone 8 97 - 8 - 4437/2.9=2, ~1595=1...(4) Peak 7627 from nnoeabs.peaks (8.02, 8.14, 107.80 ppm; 4.40 A): 2 out of 3 assignments used, quality = 0.92: * H GLY 101 + H GLY 100 OK 91 100 - 91 - 4.6=85, 7632/2.9=14...(10) H ARG 46 + H GLY 100 OK 13 100 - 13 - 6737/2.9=6, 4438/2.9=3, ~10174=1 H GLU 16 - H GLY 100 lone 5 97 - 6 - 6225/2.9=2, 4442/2.9=2 Peak 7628 from nnoeabs.peaks (8.02, 8.02, 108.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 101 + H GLY 101 OK 100 100 - 100 Peak 7629 from nnoeabs.peaks (8.14, 8.02, 108.03 ppm; 3.85 A): 2 out of 4 assignments used, quality = 0.76: * H GLY 100 + H GLY 101 OK 71 100 - 71 - 4.6=57, 2.9/7632=12...(9) H TRP 92 + H GLY 101 OK 17 100 - 16 - 7453/4.6=3, 7456/3.0=3...(6) H ASP 87 - H GLY 101 lone 8 97 - 8 - 10963/4.6=1, 4439/3.6=1, 10963=1 H HIS 106 - H GLY 101 lone 1 73 - 1 - Peak 7630 from nnoeabs.peaks (3.87, 8.02, 108.03 ppm; 3.01 A): 2 out of 9 assignments used, quality = 1.00: HA2 GLY 101 + H GLY 101 OK 100 100 - 100 - 3.0=100 * HA2 GLY 100 + H GLY 101 OK 71 100 - 71 - 3.6=60, 2.9/7629=13...(8) HA LYS 94 - H GLY 101 OK 11 100 - 11 - ~11029=2, 4448/3.0=2, ~4196=1 HA LYS 40 - H GLY 101 lone 9 100 - 9 - 10552/3.6=4, 7625/4.6=1 HA LYS 12 - H GLY 101 lone 6 90 - 7 - 3.6/7634=2, 392/652=1 HA GLU 43 - H GLY 101 lone 6 70 - 8 - 3.6/6716=2 HA LEU 38 - H GLY 101 lone 5 96 - 5 - HB3 SER 49 - H GLY 101 lone 3 94 - 3 - HA ALA 67 - H GLY 101 lone 2 87 - 2 - Peak 7631 from nnoeabs.peaks (3.71, 8.02, 108.03 ppm; 3.91 A): 1 out of 3 assignments used, quality = 1.00: * HA3 GLY 100 + H GLY 101 OK 100 100 - 100 - 3.6=100 HA LEU 42 - H GLY 101 OK 15 90 - 17 - 10602/4.6=4, 4437/3.6=3...(4) HA GLU 37 - H GLY 101 lone 8 97 - 8 - 4437/3.6=2, 7626/4.6=1 Peak 7632 from nnoeabs.peaks (3.87, 8.02, 108.03 ppm; 3.01 A): 2 out of 9 assignments used, quality = 1.00: * HA2 GLY 101 + H GLY 101 OK 100 100 - 100 - 3.0=100 HA2 GLY 100 + H GLY 101 OK 71 100 - 71 - 3.6=60, 2.9/7629=13...(8) HA LYS 94 - H GLY 101 OK 11 100 - 11 - ~11029=2, 4448/3.0=2, ~4196=1 HA LYS 40 - H GLY 101 lone 9 100 - 9 - 10552/3.6=4, 7625/4.6=1 HA LYS 12 - H GLY 101 lone 6 90 - 7 - 3.6/7634=2, 392/652=1 HA GLU 43 - H GLY 101 lone 6 70 - 8 - 3.6/6716=2 HA LEU 38 - H GLY 101 lone 5 96 - 5 - HB3 SER 49 - H GLY 101 lone 3 94 - 3 - HA ALA 67 - H GLY 101 lone 2 87 - 2 - Peak 7633 from nnoeabs.peaks (3.89, 8.02, 108.03 ppm; 2.85 A): 2 out of 8 assignments used, quality = 0.93: * HA3 GLY 101 + H GLY 101 OK 92 100 - 92 - 3.0=90, 3.6/7636=12...(4) HB2 SER 102 + H GLY 101 OK 15 100 - 15 - 4.0/7636=10, 4445/3.0=2...(4) HA ARG 91 - H GLY 101 lone 10 99 - 10 - 3.6/7629=2, 1958=1 HA GLU 43 - H GLY 101 lone 7 92 - 8 - 3.6/6716=2, 1958=1 HA ALA 89 - H GLY 101 lone 5 96 - 5 - 3903/4.6=1 HA GLU 35 - H GLY 101 lone 3 98 - 3 - HB2 SER 85 - H GLY 101 lone 3 92 - 3 - 9846/4.6=1 HA LEU 38 - H GLY 101 lone 2 61 - 3 - Peak 7634 from nnoeabs.peaks (8.06, 8.02, 108.03 ppm; 2.50 A): 3 out of 6 assignments used, quality = 0.57: * H SER 102 + H GLY 101 OK 36 100 - 36 - 7636=18, 4450/3.0=10...(5) H GLU 17 + H GLY 101 OK 20 99 - 20 - 6248=12, 4450/3.0=2...(4) H ILE 15 + H GLY 101 OK 16 77 - 20 - 6222=7, 3.0/641=2...(10) H LYS 13 - H GLY 101 lone 6 73 - 8 - 2.9/10099=3, 4.6/6204=1 H LYS 90 - H GLY 101 lone 3 84 - 4 - H GLU 75 - H GLY 101 lone 1 70 - 1 - Peak 7635 from nnoeabs.peaks (8.06, 8.06, 115.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 102 + H SER 102 OK 100 100 - 100 Peak 7636 from nnoeabs.peaks (8.02, 8.06, 115.27 ppm; 3.12 A): 2 out of 3 assignments used, quality = 0.61: * H GLY 101 + H SER 102 OK 55 100 - 55 - 4.6=31, 3.0/4450=17...(6) H GLU 16 + H SER 102 OK 14 97 - 14 - 6241=3, 4447/3.6=2...(6) H ARG 46 - H SER 102 lone 9 100 - 9 - 4447/3.6=3, 4443/3.6=2 Peak 7637 from nnoeabs.peaks (3.87, 8.06, 115.27 ppm; 3.55 A): 1 out of 9 assignments used, quality = 1.00: * HA2 GLY 101 + H SER 102 OK 100 100 - 100 - 3.6=100 HA2 GLY 100 - H SER 102 OK 29 100 - 29 - 3.6/7636=18, 4448/3.6=6, 4446=6 HA ALA 67 - H SER 102 lone 6 87 - 6 - 2.1/10113=4, 4.8/7641=1 HA LYS 94 - H SER 102 lone 5 100 - 5 - 4448/3.6=2 HA LYS 12 - H SER 102 lone 4 90 - 5 - HA LYS 40 - H SER 102 lone 3 100 - 3 - HA LEU 38 - H SER 102 lone 2 96 - 2 - HA GLU 43 - H SER 102 lone 2 70 - 3 - HB3 SER 49 - H SER 102 lone 2 94 - 2 - Peak 7638 from nnoeabs.peaks (3.89, 8.06, 115.27 ppm; 3.36 A): 2 out of 8 assignments used, quality = 0.96: * HA3 GLY 101 + H SER 102 OK 89 100 - 89 - 3.6=84, 3.0/7636=20...(5) HB2 SER 102 + H SER 102 OK 66 100 - 66 - 4.0=61, 4.5/7644=10...(4) HA ALA 89 - H SER 102 OK 13 96 - 13 - 3.0/7408=2, 3903=2...(5) HA ARG 91 - H SER 102 OK 10 99 - 10 - 3.0/7431=3, 3.6/7453=2 HA GLU 43 - H SER 102 lone 4 92 - 4 - 1958/4.6=1 HA GLU 35 - H SER 102 lone 3 98 - 3 - HB2 SER 85 - H SER 102 lone 2 92 - 2 - HA LEU 38 - H SER 102 lone 2 61 - 3 - Peak 7639 from nnoeabs.peaks (4.38, 8.06, 115.27 ppm; 3.87 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 102 + H SER 102 OK 100 100 - 100 - 3.0=100 HA ARG 81 - H SER 102 lone 4 65 - 6 - 4457/4.0=1 HA ASP 61 - H SER 102 lone 2 77 - 2 - HA GLN 50 - H SER 102 lone 1 65 - 2 - Peak 7640 from nnoeabs.peaks (3.89, 8.06, 115.27 ppm; 3.36 A): 2 out of 8 assignments used, quality = 0.96: HA3 GLY 101 + H SER 102 OK 89 100 - 89 - 3.6=84, 3.0/7636=20...(5) * HB2 SER 102 + H SER 102 OK 66 100 - 66 - 4.0=61, 4.5/7644=10...(4) HA ALA 89 - H SER 102 OK 13 97 - 13 - 3.0/7408=2, 3903=2...(5) HA ARG 91 - H SER 102 OK 10 98 - 10 - 3.0/7431=3, 3.6/7453=2 HA GLU 43 - H SER 102 lone 4 90 - 4 - 1958/4.6=1 HA GLU 35 - H SER 102 lone 3 97 - 3 - HB2 SER 85 - H SER 102 lone 2 94 - 2 - HA LEU 38 - H SER 102 lone 1 57 - 3 - Peak 7641 from nnoeabs.peaks (3.81, 8.06, 115.27 ppm; 3.96 A): 1 out of 5 assignments used, quality = 1.00: * HB3 SER 102 + H SER 102 OK 100 100 - 100 - 4.0=100 HA LYS 68 - H SER 102 OK 12 99 - 12 - 7647/4.6=3, 4.9/10113=3...(4) HA ARG 19 - H SER 102 lone 9 100 - 9 - 3.0/6279=2, 4454/3.0=2 HA SER 97 - H SER 102 lone 8 98 - 9 - 7647/4.6=3...(3) HA ALA 22 - H SER 102 lone 6 73 - 8 - 3.6/7642=3, 7647/4.6=2 Peak 7642 from nnoeabs.peaks (8.29, 8.06, 115.27 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 103 + H SER 102 OK 100 100 - 100 - 4.6=100 H GLU 23 - H SER 102 OK 16 90 - 17 - 4465/4.0=5, 4460/4.0=4...(4) Peak 7643 from nnoeabs.peaks (8.29, 8.29, 123.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 103 + H LEU 103 OK 100 100 - 100 Peak 7644 from nnoeabs.peaks (8.06, 8.29, 123.60 ppm; 4.51 A): 1 out of 6 assignments used, quality = 0.98: * H SER 102 + H LEU 103 OK 98 100 - 98 - 4.6=94, 3.0/7645=42...(7) H LYS 90 - H LEU 103 poor 10 84 - 11 - 4451/3.6=2, 4456/4.5=2...(4) H GLU 17 - H LEU 103 lone 8 99 - 8 - 4451/3.6=2, 4461/4.5=2 H ILE 15 - H LEU 103 lone 6 77 - 7 - 4451/3.6=1, 4456/4.5=1 H LYS 13 - H LEU 103 lone 3 73 - 3 - H GLU 75 - H LEU 103 lone 2 70 - 2 - Peak 7645 from nnoeabs.peaks (4.38, 8.29, 123.60 ppm; 3.00 A): 1 out of 4 assignments used, quality = 0.71: * HA SER 102 + H LEU 103 OK 71 100 - 71 - 3.6=60, 3.0/7646=10...(5) HA ARG 81 - H LEU 103 lone 2 65 - 2 - HA ASP 61 - H LEU 103 lone 2 77 - 2 - HA GLN 50 - H LEU 103 lone 0 65 - 1 - Peak 7646 from nnoeabs.peaks (3.89, 8.29, 123.60 ppm; 3.83 A): 2 out of 8 assignments used, quality = 0.86: * HB2 SER 102 + H LEU 103 OK 82 100 - 82 - 4.5=60, 3.0/7645=34...(5) HA3 GLY 101 + H LEU 103 OK 25 100 - 25 - 3.6/7644=16, 4453/3.6=7 HA LEU 38 - H LEU 103 poor 9 57 - 16 - 3.8/7653=5, 3.8/7652=5...(5) HA ALA 89 - H LEU 103 lone 7 97 - 7 - 3903/4.6=2, 3.6/7644=2 HA GLU 35 - H LEU 103 lone 5 97 - 5 - HA ARG 91 - H LEU 103 lone 4 98 - 4 - 7638/4.6=1 HA GLU 43 - H LEU 103 lone 2 90 - 3 - HB2 SER 85 - H LEU 103 lone 2 94 - 2 - Peak 7647 from nnoeabs.peaks (3.81, 8.29, 123.60 ppm; 4.30 A): 1 out of 5 assignments used, quality = 0.95: * HB3 SER 102 + H LEU 103 OK 95 100 - 95 - 4.5=85, 3.0/7645=40...(5) HA LYS 68 - H LEU 103 OK 32 99 - 33 - 3.6/10805=19, ~7100=3...(7) HA SER 97 - H LEU 103 OK 30 98 - 30 - 3.0/7654=8, 10070/4.0=6...(8) HA ALA 22 - H LEU 103 OK 15 73 - 21 - ~10452=5, 2.1/1011=4...(7) HA ARG 19 - H LEU 103 OK 12 100 - 12 - 8688/10503=2, 7641/4.6=2...(5) Peak 7648 from nnoeabs.peaks (4.30, 8.29, 123.60 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 103 + H LEU 103 OK 100 100 - 100 - 3.0=100 HA ASP 65 - H LEU 103 OK 18 87 - 20 - 4475/4.0=3, 4483/4.0=3...(8) HA GLU 28 - H LEU 103 OK 15 94 - 16 - 4475/4.0=3, 4483/4.0=3...(9) HA ASP 36 - H LEU 103 lone 7 87 - 8 - 4483/4.0=1, 4475/4.0=1 Peak 7649 from nnoeabs.peaks (1.58, 8.29, 123.60 ppm; 2.95 A): 2 out of 14 assignments used, quality = 0.87: * HB2 LEU 103 + H LEU 103 OK 68 100 - 68 - 4.0=39, 1.8/7650=14...(11) HG LEU 103 + H LEU 103 OK 60 100 - 60 - 5.3=18, 3.0/4474=12...(10) HB3 LEU 29 - H LEU 103 lone 8 90 - 9 - 3.1/10503=3, 8676/3.0=2...(4) HG3 LYS 90 - H LEU 103 lone 5 100 - 5 - 3957/4.6=2 HG2 ARG 19 - H LEU 103 lone 4 100 - 4 - HG2 LYS 24 - H LEU 103 lone 4 100 - 4 - HB2 ARG 79 - H LEU 103 lone 3 77 - 4 - HB2 ARG 30 - H LEU 103 lone 2 65 - 3 - HD3 LYS 94 - H LEU 103 lone 2 84 - 2 - HG3 LYS 12 - H LEU 103 lone 2 94 - 2 - HG LEU 27 - H LEU 103 lone 1 84 - 2 - HD3 LYS 82 - H LEU 103 lone 1 61 - 2 - HD2 LYS 66 - H LEU 103 lone 1 73 - 1 - HG3 LYS 73 - H LEU 103 lone 1 84 - 1 - Peak 7650 from nnoeabs.peaks (1.52, 8.29, 123.60 ppm; 3.62 A): 2 out of 11 assignments used, quality = 0.93: * HB3 LEU 103 + H LEU 103 OK 91 100 - 91 - 4.0=72, 1.8/4474=24...(11) HG LEU 2 + H LEU 103 OK 21 96 - 23 - 4469/3.0=5, 4477/4.0=3...(10) HG LEU 6 - H LEU 103 lone 8 100 - 8 - 4469/3.0=2, 4501/4.7=2...(5) HG2 ARG 79 - H LEU 103 lone 8 90 - 9 - 4469/3.0=2, 4477/4.0=1 HG3 ARG 79 - H LEU 103 lone 7 87 - 8 - 4469/3.0=2, 4477/4.0=1 HG3 ARG 30 - H LEU 103 lone 6 97 - 6 - 4469/3.0=1 HG3 LYS 24 - H LEU 103 lone 5 77 - 7 - 1.8/7649=1 HB2 LEU 14 - H LEU 103 lone 5 100 - 5 - HB ILE 7 - H LEU 103 lone 4 100 - 4 - HG12 ILE 56 - H LEU 103 lone 4 96 - 4 - HG3 LYS 33 - H LEU 103 lone 1 61 - 1 - Peak 7651 from nnoeabs.peaks (1.58, 8.29, 123.60 ppm; 2.94 A): 2 out of 14 assignments used, quality = 0.87: HB2 LEU 103 + H LEU 103 OK 67 100 - 67 - 4.0=38, 1.8/7650=13...(11) * HG LEU 103 + H LEU 103 OK 60 100 - 60 - 5.3=18, 3.0/4474=12...(10) HB3 LEU 29 - H LEU 103 lone 7 81 - 9 - 3.1/10503=2, ~8678=2...(4) HG3 LYS 90 - H LEU 103 lone 5 100 - 5 - 3957/4.6=2 HG2 ARG 19 - H LEU 103 lone 4 100 - 4 - HG2 LYS 24 - H LEU 103 lone 4 99 - 4 - HB3 GLU 28 - H LEU 103 lone 4 61 - 6 - 3.0/7648=2, ~1236=1 HB2 ARG 79 - H LEU 103 lone 3 65 - 4 - HD3 LYS 82 - H LEU 103 lone 2 73 - 3 - HG3 LYS 12 - H LEU 103 lone 1 87 - 2 - HD3 LYS 94 - H LEU 103 lone 1 73 - 2 - HG LEU 27 - H LEU 103 lone 1 73 - 2 - HD2 LYS 66 - H LEU 103 lone 1 61 - 1 - HG3 LYS 73 - H LEU 103 lone 1 73 - 1 - Peak 7652 from nnoeabs.peaks (0.83, 8.29, 123.60 ppm; 4.06 A): 2 out of 8 assignments used, quality = 0.96: * QD2 LEU 103 + H LEU 103 OK 93 100 - 93 - 4.7=64, 4499/3.0=25...(10) QD2 LEU 38 + H LEU 103 OK 40 99 - 40 - 4471/3.0=8, 2.1/7653=8...(9) QD2 LEU 2 - H LEU 103 OK 16 65 - 25 - 2.1/7650=5, 4471/3.0=4...(9) QG2 VAL 32 - H LEU 103 OK 15 99 - 15 - 4471/3.0=3, 10159/4.0=3...(6) QD1 LEU 57 - H LEU 103 lone 9 100 - 9 - 4471/3.0=1, 4487/4.0=1...(5) QD1 LEU 70 - H LEU 103 lone 5 90 - 6 - QG2 ILE 15 - H LEU 103 lone 3 70 - 4 - QD2 LEU 70 - H LEU 103 lone 2 61 - 4 - Peak 7653 from nnoeabs.peaks (0.86, 8.29, 123.60 ppm; 4.15 A): 2 out of 5 assignments used, quality = 0.97: * QD1 LEU 103 + H LEU 103 OK 94 100 - 94 - 4.7=68, 3.1/4474=23...(11) QD1 LEU 38 + H LEU 103 OK 41 99 - 42 - 4472/3.0=8, 2.1/7652=8...(9) QD2 LEU 64 - H LEU 103 OK 27 100 - 27 - 4472/3.0=5, 4488/4.0=5...(7) QD1 LEU 2 - H LEU 103 OK 17 65 - 27 - 2.1/7650=5, 4472/3.0=4...(10) QG2 ILE 76 - H LEU 103 lone 2 61 - 3 - Peak 7654 from nnoeabs.peaks (8.22, 8.29, 123.60 ppm; 4.03 A): 3 out of 3 assignments used, quality = 0.93: * H GLU 104 + H LEU 103 OK 86 100 - 86 - 4.6=66, 7657/3.0=24...(7) H SER 97 + H LEU 103 OK 34 100 - 34 - 4473/3.0=7, 4481/4.0=5...(10) H PHE 96 + H LEU 103 OK 29 99 - 29 - 7656=9, 7657/3.0=6...(7) Peak 7655 from nnoeabs.peaks (8.22, 8.22, 120.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLU 104 + H GLU 104 OK 100 100 - 100 H PHE 96 + H PHE 96 OK 89 89 - 100 Peak 7656 from nnoeabs.peaks (8.29, 8.22, 120.51 ppm; 3.79 A): 3 out of 4 assignments used, quality = 0.89: * H LEU 103 + H GLU 104 OK 79 100 - 79 - 4.6=55, 3.0/7657=22...(7) H GLU 23 + H GLU 104 OK 28 90 - 32 - 4466/3.6=6, 4474/4.3=5...(12) H LEU 103 + H PHE 96 OK 26 90 - 29 - 7654=8, 3.0/7657=5...(8) H GLU 23 - H PHE 96 poor 8 76 - 11 - 6366/4.6=2, 4.0/7666=2 Peak 7657 from nnoeabs.peaks (4.30, 8.22, 120.51 ppm; 3.04 A): 3 out of 8 assignments used, quality = 0.82: * HA LEU 103 + H GLU 104 OK 75 100 - 75 - 3.6=62, 3.0/7656=10...(7) HA LEU 103 + H PHE 96 OK 18 90 - 20 - 4473=6, 3.0/7656=3...(8) HA ASP 65 + H GLU 104 OK 13 87 - 15 - 4475/4.3=2, 4483/4.3=2...(9) HA GLU 28 - H GLU 104 lone 7 94 - 8 - 4475/4.3=2, 4483/4.3=2...(4) HA ASP 36 - H GLU 104 lone 5 87 - 6 - HA ASP 65 - H PHE 96 lone 1 73 - 2 - HA GLU 28 - H PHE 96 lone 1 81 - 2 - HA ASP 36 - H PHE 96 lone 1 73 - 1 - Peak 7658 from nnoeabs.peaks (1.58, 8.22, 120.51 ppm; 3.92 A): 2 out of 28 assignments used, quality = 0.96: * HB2 LEU 103 + H GLU 104 OK 91 100 - 91 - 4.3=76, 3.0/7657=23...(8) HG LEU 103 + H GLU 104 OK 58 100 - 59 - 3.7/7657=19, 4493/4.3=14...(7) HB2 LEU 103 - H PHE 96 OK 30 90 - 33 - 4481=6, 3.0/7657=6...(8) HG LEU 103 - H PHE 96 OK 27 89 - 30 - 2.1/4505=5, 3.0/4481=5...(8) HD3 LYS 94 - H PHE 96 OK 12 70 - 18 - 4.7/4181=7, 6.3/7522=5 HG LEU 27 - H PHE 96 OK 12 70 - 17 - 2.1/10043=5, 8648/5.3=4...(4) HG3 LYS 90 - H GLU 104 lone 9 100 - 9 - 2.8/7664=1, 3959/4.0=1 HD3 LYS 94 - H GLU 104 lone 7 84 - 9 - 4.7/4181=3, 6.3/7522=2 HB3 LEU 29 - H GLU 104 lone 7 90 - 8 - 8676/3.6=3, 7649/4.6=1 HG3 LYS 12 - H GLU 104 lone 6 94 - 7 - 3.0/7665=1, 3.0/7665=1 HG2 LYS 24 - H GLU 104 lone 5 100 - 5 - HB2 ARG 79 - H GLU 104 lone 4 77 - 6 - HG2 ARG 19 - H GLU 104 lone 4 100 - 4 - HG2 ARG 19 - H PHE 96 lone 4 90 - 4 - HG3 LYS 12 - H PHE 96 lone 4 81 - 5 - HG3 LYS 73 - H PHE 96 lone 4 70 - 5 - 9581/3.6=2, 12183/4.6=1 HG LEU 27 - H GLU 104 lone 4 84 - 4 - HG3 LYS 90 - H PHE 96 lone 3 90 - 3 - HD2 LYS 66 - H GLU 104 lone 3 73 - 4 - HB2 ARG 30 - H GLU 104 lone 3 65 - 4 - HB2 ARG 30 - H PHE 96 lone 3 53 - 5 - 7535/4.5=1 HD3 LYS 82 - H GLU 104 lone 3 61 - 4 - 10942/4.9=1 HB2 ARG 79 - H PHE 96 lone 2 64 - 4 - HD2 LYS 66 - H PHE 96 lone 2 60 - 4 - HB3 LEU 29 - H PHE 96 lone 2 76 - 3 - HG3 LYS 73 - H GLU 104 lone 2 84 - 2 - HG2 LYS 24 - H PHE 96 lone 2 90 - 2 - HD3 LYS 82 - H PHE 96 lone 1 50 - 1 - Peak 7659 from nnoeabs.peaks (1.52, 8.22, 120.51 ppm; 3.90 A): 3 out of 22 assignments used, quality = 0.94: * HB3 LEU 103 + H GLU 104 OK 90 100 - 90 - 4.3=75, 3.0/7657=22...(8) HB3 LEU 103 + H PHE 96 OK 29 90 - 32 - 4489=6, 1.8/4481=6...(8) HG LEU 2 + H GLU 104 OK 18 96 - 19 - 4469/3.6=4, 4477/4.3=3...(7) HG LEU 6 - H GLU 104 lone 9 100 - 9 - 4501/4.9=2, 4469/3.6=2...(5) HG2 ARG 79 - H GLU 104 lone 7 90 - 8 - 4469/3.6=2, 4477/4.3=1...(4) HG2 ARG 79 - H PHE 96 lone 7 76 - 9 - 8705/5.3=2, 8705/5.6=2 HG3 ARG 79 - H GLU 104 lone 7 87 - 8 - 4469/3.6=2, 4477/4.3=1 HG3 ARG 79 - H PHE 96 lone 6 73 - 9 - 8705/5.3=2, 8705/5.6=2 HG3 ARG 30 - H GLU 104 lone 6 97 - 6 - 4469/3.6=1 HG3 ARG 30 - H PHE 96 lone 6 85 - 7 - 8705/5.3=1, 8705/5.6=1 HB2 LEU 14 - H GLU 104 lone 5 100 - 5 - 12206/9705=1 HG12 ILE 56 - H GLU 104 lone 5 96 - 5 - 12206/9705=1 HB ILE 7 - H GLU 104 lone 5 100 - 4 - HG3 LYS 24 - H GLU 104 lone 4 77 - 5 - HG LEU 2 - H PHE 96 lone 4 83 - 5 - HG LEU 6 - H PHE 96 lone 3 90 - 3 - HG12 ILE 56 - H PHE 96 lone 3 83 - 3 - 9251/10045=1 HB ILE 7 - H PHE 96 lone 2 90 - 2 - HB2 LEU 14 - H PHE 96 lone 2 90 - 2 - HG3 LYS 24 - H PHE 96 lone 1 64 - 1 - HG3 LYS 33 - H GLU 104 lone 1 61 - 1 - HG3 LYS 33 - H PHE 96 lone 0 50 - 1 - Peak 7660 from nnoeabs.peaks (1.58, 8.22, 120.51 ppm; 3.79 A): 2 out of 28 assignments used, quality = 0.94: HB2 LEU 103 + H GLU 104 OK 87 100 - 87 - 4.3=69, 3.0/7657=22...(8) * HG LEU 103 + H GLU 104 OK 56 100 - 56 - 3.7/7657=18, 4493/4.3=13...(7) HB2 LEU 103 - H PHE 96 OK 28 89 - 31 - 4481=6, 3.0/7657=5...(8) HG LEU 103 - H PHE 96 OK 25 90 - 28 - 2.1/4505=5, 3.7/7657=4...(8) HD3 LYS 94 - H PHE 96 poor 9 60 - 15 - 4.7/4181=6, 6.3/7522=4 HG3 LYS 90 - H GLU 104 lone 8 100 - 8 - 2.8/7664=1, 3959/4.0=1 HG LEU 27 - H PHE 96 poor 8 60 - 14 - 2.1/10043=4, 8648/5.3=3 HD3 LYS 94 - H GLU 104 lone 6 73 - 8 - 4.7/4181=2, 6.3/7522=2 HB3 LEU 29 - H GLU 104 lone 5 81 - 7 - 8676/3.6=3, 7649/4.6=1 HG3 LYS 12 - H GLU 104 lone 5 87 - 6 - 3.0/7665=1, 3.0/7665=1 HG2 LYS 24 - H GLU 104 lone 5 99 - 5 - HG2 ARG 19 - H GLU 104 lone 4 100 - 4 - HB3 GLU 28 - H GLU 104 lone 4 61 - 6 - 3.0/7657=2, 1243/3.6=1 HG2 ARG 19 - H PHE 96 lone 3 89 - 4 - HB2 ARG 79 - H GLU 104 lone 3 65 - 5 - HD3 LYS 82 - H GLU 104 lone 3 73 - 4 - 10942/4.9=2 HG3 LYS 12 - H PHE 96 lone 3 73 - 4 - HG3 LYS 90 - H PHE 96 lone 3 90 - 3 - HG LEU 27 - H GLU 104 lone 3 73 - 4 - HG3 LYS 73 - H PHE 96 lone 2 60 - 4 - 9581/3.6=1 HD2 LYS 66 - H GLU 104 lone 2 61 - 3 - HB2 ARG 79 - H PHE 96 lone 2 53 - 3 - HG2 LYS 24 - H PHE 96 lone 1 89 - 2 - HB3 LEU 29 - H PHE 96 lone 1 67 - 2 - HD2 LYS 66 - H PHE 96 lone 1 50 - 3 - HG3 LYS 73 - H GLU 104 lone 1 73 - 2 - HD3 LYS 82 - H PHE 96 lone 1 60 - 1 - HB3 GLU 28 - H PHE 96 lone 1 50 - 1 - Peak 7661 from nnoeabs.peaks (0.83, 8.22, 120.51 ppm; 4.17 A): 3 out of 16 assignments used, quality = 0.94: * QD2 LEU 103 + H GLU 104 OK 86 100 - 86 - 4.9=63, 4499/3.6=23...(8) QD2 LEU 38 + H GLU 104 OK 35 99 - 36 - 4471/3.6=7, 4479/4.3=6...(9) QD2 LEU 103 + H PHE 96 OK 31 90 - 34 - 4505=6, 3.1/4481=5...(8) QD1 LEU 57 - H PHE 96 OK 17 90 - 19 - 10212/10044=8...(4) QG2 VAL 32 - H GLU 104 OK 15 99 - 15 - 10159/4.3=3, 4471/3.6=3...(5) QD1 LEU 57 - H GLU 104 OK 14 100 - 14 - 10212/9283=2...(7) QD2 LEU 2 - H GLU 104 OK 12 65 - 18 - 4471/3.6=3, 2.1/7659=3...(7) QD1 LEU 70 - H PHE 96 poor 9 76 - 11 - 3159/3.6=4, 4.0/7551=3 QD2 LEU 38 - H PHE 96 lone 6 89 - 7 - 2.1/7662=1 QD1 LEU 70 - H GLU 104 lone 6 90 - 6 - QD2 LEU 70 - H PHE 96 lone 4 50 - 9 - 4.0/7551=3, 3167/3.6=3 QG2 VAL 32 - H PHE 96 lone 3 87 - 4 - QD2 LEU 70 - H GLU 104 lone 3 61 - 5 - QD2 LEU 2 - H PHE 96 lone 3 53 - 5 - QG2 ILE 15 - H GLU 104 lone 2 70 - 3 - QG2 ILE 15 - H PHE 96 lone 2 57 - 3 - Peak 7662 from nnoeabs.peaks (0.86, 8.22, 120.51 ppm; 4.37 A): 3 out of 10 assignments used, quality = 0.96: * QD1 LEU 103 + H GLU 104 OK 90 100 - 90 - 4.9=72, 3.9/7657=21...(8) QD1 LEU 38 + H GLU 104 OK 39 99 - 39 - 4472/3.6=8, 4480/4.3=7...(9) QD2 LEU 64 + H GLU 104 OK 32 100 - 32 - 11076/3.0=6, 4472/3.6=5...(10) QD1 LEU 103 - H PHE 96 OK 32 90 - 35 - 2.1/4505=6, 3.1/4489=6...(8) QD1 LEU 2 - H GLU 104 OK 13 65 - 19 - 4472/3.6=4, 4488/4.3=4...(7) QD1 LEU 38 - H PHE 96 lone 7 89 - 8 - QD2 LEU 64 - H PHE 96 lone 5 90 - 6 - QD1 LEU 2 - H PHE 96 lone 2 53 - 4 - QG2 ILE 76 - H GLU 104 lone 1 61 - 2 - QG2 ILE 76 - H PHE 96 lone 1 50 - 1 - Peak 7663 from nnoeabs.peaks (4.13, 8.22, 120.51 ppm; 3.48 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 104 + H GLU 104 OK 100 100 - 100 - 3.0=100 HA GLU 104 - H PHE 96 OK 27 90 - 29 - 4514=9, 3.0/4528=5...(10) HA GLU 99 - H PHE 96 OK 25 89 - 28 - 3.0/7600=7, ~7599=7...(9) HA GLU 62 - H GLU 104 OK 23 99 - 24 - 4529/4.0=4, 4543/4.9=3...(11) HA GLU 23 - H GLU 104 OK 13 57 - 23 - 3.0/7656=5, 3.0/7666=3...(10) HA GLU 99 - H GLU 104 lone 6 100 - 6 - 3.0/7600=2 HA GLU 62 - H PHE 96 lone 4 87 - 5 - HA GLU 23 - H PHE 96 lone 4 46 - 8 - 3.0/7666=2, 3.0/7548=2...(4) HA LYS 47 - H GLU 104 lone 1 70 - 1 - HA LYS 47 - H PHE 96 lone 1 57 - 1 - Peak 7664 from nnoeabs.peaks (1.81, 8.22, 120.51 ppm; 3.11 A): 6 out of 16 assignments used, quality = 0.88: * HB2 GLU 104 + H GLU 104 OK 67 100 - 68 - 4.0=46, 1.8/4528=17...(7) HB ILE 93 + H PHE 96 OK 26 86 - 30 - 3.0/7547=11, 4.4/7522=6...(7) HB2 GLU 88 + H GLU 104 OK 20 100 - 20 - 4516/3.0=5, 4521=4...(8) HB2 GLU 104 + H PHE 96 OK 19 90 - 21 - 1.8/4528=5, 4521=4...(6) HB ILE 93 + H GLU 104 OK 13 98 - 13 - 3.0/7547=4, 4.4/7522=3...(4) HB2 LYS 39 + H GLU 104 OK 12 90 - 13 - 1.8/7665=3, 4516/3.0=2...(7) HB2 LYS 90 - H GLU 104 lone 7 100 - 7 - 4516/3.0=1, 4544/4.9=1 HB2 GLU 88 - H PHE 96 lone 6 90 - 6 - 4521=1 HB2 LEU 42 - H GLU 104 lone 4 100 - 4 - HB2 LYS 90 - H PHE 96 lone 3 89 - 3 - HB2 LEU 42 - H PHE 96 lone 3 90 - 3 - HB3 LEU 57 - H GLU 104 lone 3 77 - 4 - HB2 LYS 39 - H PHE 96 lone 3 76 - 3 - HB3 LEU 57 - H PHE 96 lone 2 64 - 3 - 3.1/7661=1 HG2 ARG 46 - H GLU 104 lone 1 73 - 1 - HG2 ARG 46 - H PHE 96 lone 1 60 - 1 - Peak 7665 from nnoeabs.peaks (1.87, 8.22, 120.51 ppm; 3.40 A): 3 out of 18 assignments used, quality = 0.85: * HB3 GLU 104 + H GLU 104 OK 78 100 - 78 - 4.0=60, 1.8/4521=15...(7) HB3 GLU 104 + H PHE 96 OK 23 90 - 26 - 4528=7, 1.8/4521=5...(7) HB3 LYS 39 + H GLU 104 OK 14 96 - 14 - 4517/3.0=3, 1.8/7664=2...(6) HB3 LYS 68 - H GLU 104 lone 8 100 - 8 - 3009/3.6=2, 4517/3.0=1 HB3 LYS 12 - H GLU 104 lone 6 99 - 6 - 4517/3.0=1 HB2 LYS 12 - H GLU 104 lone 6 98 - 6 - 4517/3.0=1 HB3 LYS 66 - H GLU 104 lone 4 94 - 5 - 4517/3.0=1 HB3 LYS 39 - H PHE 96 lone 2 83 - 3 - HB VAL 5 - H GLU 104 lone 2 94 - 2 - HB3 LYS 12 - H PHE 96 lone 2 89 - 2 - HB3 LYS 68 - H PHE 96 lone 2 90 - 2 - HB2 LYS 12 - H PHE 96 lone 2 86 - 2 - HB3 LYS 66 - H PHE 96 lone 1 81 - 1 - HB VAL 54 - H GLU 104 lone 1 77 - 1 - HB VAL 5 - H PHE 96 lone 1 81 - 1 - HB VAL 54 - H PHE 96 lone 1 64 - 1 - HB2 LYS 20 - H GLU 104 lone 1 61 - 1 - HB2 LYS 20 - H PHE 96 lone 0 50 - 1 - Peak 7666 from nnoeabs.peaks (2.15, 8.22, 120.51 ppm; 3.41 A): 7 out of 16 assignments used, quality = 0.95: * HG2 GLU 104 + H GLU 104 OK 66 100 - 66 - 4.9=33, 3.0/4528=15...(6) HB3 GLU 95 + H PHE 96 OK 49 76 - 64 - 4.6=41, 4277/3.6=12...(8) HB3 GLU 23 + H GLU 104 OK 27 98 - 27 - 4518/3.0=4, 1.8/7667=4...(11) HG2 GLU 104 + H PHE 96 OK 22 90 - 25 - 4535=6, 3.0/4528=5...(6) HB3 GLU 95 + H GLU 104 OK 22 90 - 24 - 1.8/4291=4, 4.0/7544=4...(8) HG2 GLU 88 + H GLU 104 OK 21 98 - 22 - 4518/3.0=4, 4532/4.0=4...(8) HB3 GLU 23 + H PHE 96 OK 15 86 - 18 - 4277/3.6=4, 4288/4.6=3...(7) HB2 GLN 72 - H PHE 96 lone 6 60 - 10 - 4277/3.6=3, 4288/4.6=2...(4) HG2 GLU 88 - H PHE 96 lone 4 86 - 5 - HB3 GLU 16 - H PHE 96 lone 2 53 - 4 - 4277/3.6=1 HB2 GLN 72 - H GLU 104 lone 2 73 - 3 - HB3 GLU 16 - H GLU 104 lone 1 65 - 2 - HB2 GLU 75 - H GLU 104 lone 1 87 - 1 - HG2 GLU 44 - H GLU 104 lone 1 84 - 1 - HG2 GLU 44 - H PHE 96 lone 1 70 - 1 - HB2 GLU 75 - H PHE 96 lone 1 73 - 1 - Peak 7667 from nnoeabs.peaks (2.10, 8.22, 120.51 ppm; 3.85 A): 6 out of 18 assignments used, quality = 0.94: * HG3 GLU 104 + H GLU 104 OK 81 100 - 81 - 4.9=48, 1.8/4535=21...(7) HB2 GLU 23 + H GLU 104 OK 28 90 - 32 - 1.8/7666=5, 4519/3.0=5...(12) HG3 GLU 104 + H PHE 96 OK 27 90 - 29 - 1.8/4535=7, 4542=7...(6) HB3 GLU 62 + H GLU 104 OK 24 94 - 25 - 2742/3.0=7, ~2735=4...(8) QE MET 21 + H PHE 96 OK 12 90 - 13 - 8535/4.5=6, 8536/7548=3 HB2 LEU 64 + H GLU 104 OK 11 77 - 15 - 3.1/7662=3, 2815/4.9=3...(5) HB2 GLU 23 - H PHE 96 poor 10 76 - 13 - 1.8/7666=3, 1023/4.6=3...(4) QE MET 21 - H GLU 104 lone 8 100 - 8 - 8536/7522=1 HB3 GLU 62 - H PHE 96 lone 5 81 - 6 - 2.9/7554=1, 2.9/7554=1 HB VAL 83 - H GLU 104 lone 5 77 - 6 - 4519/3.0=1, 4533/4.0=1 HB3 PRO 86 - H GLU 104 lone 4 97 - 4 - HG3 GLU 37 - H GLU 104 lone 3 87 - 3 - HB3 GLU 35 - H GLU 104 lone 2 70 - 3 - HB3 PRO 86 - H PHE 96 lone 2 85 - 3 - HB2 LEU 64 - H PHE 96 lone 2 64 - 3 - HB3 GLU 35 - H PHE 96 lone 2 57 - 3 - HB VAL 83 - H PHE 96 lone 1 64 - 2 - HG3 GLU 37 - H PHE 96 lone 1 73 - 1 - Peak 7669 from nnoeabs.peaks (8.15, 8.15, 125.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 106 + H HIS 106 OK 100 100 - 100 Peak 7671 from nnoeabs.peaks (4.41, 8.15, 125.33 ppm; 4.31 A): 1 out of 6 assignments used, quality = 1.00: * HA HIS 106 + H HIS 106 OK 100 100 - 100 - 2.9=100 HA MET 21 - H HIS 106 OK 24 99 - 24 - 11092=7, 11094/4.0=4...(9) HA MET 74 - H HIS 106 OK 11 99 - 11 - 11093/4.0=2, 11094/4.0=2...(6) HA VAL 32 - H HIS 106 lone 4 99 - 4 - HA ALA 25 - H HIS 106 lone 4 98 - 4 - HA GLN 50 - H HIS 106 lone 4 94 - 4 - Peak 7676 from nnoeabs.peaks (4.59, 8.15, 125.33 ppm; 3.61 A): 1 out of 5 assignments used, quality = 1.00: * HA HIS 105 + H HIS 106 OK 100 100 - 100 - 3.6=100 HA ASP 11 - H HIS 106 lone 2 100 - 1 - HB THR 34 - H HIS 106 lone 1 100 - 1 - HA THR 84 - H HIS 106 lone 1 81 - 1 - HA ILE 8 - H HIS 106 lone 1 65 - 1 - Peak 7677 from nnoeabs.peaks (3.18, 8.15, 125.33 ppm; 5.43 A): 1 out of 5 assignments used, quality = 1.00: * HB2 HIS 106 + H HIS 106 OK 100 100 - 100 - 4.0=100 HD3 ARG 46 - H HIS 106 OK 17 94 - 18 - 9013/2.9=8, ~9012=6, ~9014=3 HD2 ARG 19 - H HIS 106 lone 5 96 - 5 - 12301/2.9=1 HD3 ARG 19 - H HIS 106 lone 5 96 - 5 - 12301/2.9=1 HB3 TRP 92 - H HIS 106 lone 3 90 - 3 - Peak 7678 from nnoeabs.peaks (3.05, 8.15, 125.33 ppm; 4.37 A): 2 out of 5 assignments used, quality = 1.00: * HB3 HIS 106 + H HIS 106 OK 100 100 - 100 - 4.0=100 HB3 HIS 105 + H HIS 106 OK 79 90 - 89 - 4.7=82, 4552/3.6=33, 11095/2.9=4 HB3 ASN 60 - H HIS 106 lone 2 99 - 2 - HB3 ASN 26 - H HIS 106 lone 2 84 - 2 - HD2 ARG 79 - H HIS 106 lone 1 65 - 1 - Peak 8044 from nnoeabs.peaks (5.34, 8.51, 127.16 ppm; 4.23 A): 2 out of 2 assignments used, quality = 0.79: HA ILE 52 + H LEU 2 OK 65 98 - 67 - 11126=16, 8049/4.7=16...(11) HA THR 80 + H LEU 2 OK 39 87 - 45 - 8004/3.6=8, 8046/4.0=7...(14) Peak 8059 from nnoeabs.peaks (6.44, 7.84, 122.56 ppm; 5.48 A): 4 out of 4 assignments used, quality = 0.97: HD2 TYR 4 + H LEU 3 OK 60 97 - 62 - 5.4/6032=19, 8062/3.0=11...(13) HD1 TYR 4 + H LEU 3 OK 60 97 - 62 - 5.6/6032=18, 8062/3.0=11...(13) HE1 TYR 4 + H LEU 3 OK 57 99 - 58 - 7.6/6032=11...(12) HE2 TYR 4 + H LEU 3 OK 56 97 - 58 - 7.4/6032=12...(12) Peak 8088 from nnoeabs.peaks (4.67, 7.84, 122.56 ppm; 5.70 A): 2 out of 2 assignments used, quality = 0.63: HA LEU 27 + H LEU 3 OK 58 84 - 69 - 8080/4.0=27...(12) HA LEU 55 + H LEU 3 OK 12 99 - 12 - 8080/4.0=4, 11117/4.6=2 Peak 8119 from nnoeabs.peaks (6.96, 8.36, 119.31 ppm; 4.16 A): 2 out of 3 assignments used, quality = 0.84: HE2 PHE 96 + H TYR 4 OK 61 100 - 61 - 2.5/8120=30, 8068/4.4=10...(11) HE1 PHE 96 + H TYR 4 OK 60 99 - 61 - 2.5/8120=30, 8068/4.4=10...(11) HD21 ASN 51 - H TYR 4 lone 6 77 - 7 - 8072/5.0=1, 8066/4.4=1 Peak 8120 from nnoeabs.peaks (7.07, 8.36, 119.31 ppm; 3.94 A): 1 out of 2 assignments used, quality = 0.48: HZ PHE 96 + H TYR 4 OK 48 97 - 50 - 2.5/8119=15, 2.5/8119=14...(10) HZ3 TRP 92 - H TYR 4 lone 9 98 - 9 - 9292/8121=3...(3) Peak 8121 from nnoeabs.peaks (8.64, 8.36, 119.31 ppm; 4.42 A): 2 out of 3 assignments used, quality = 0.84: H LEU 55 + H TYR 4 OK 82 100 - 83 - 9293=29, 3.6/10203=19...(13) H ASN 10 + H TYR 4 OK 10 100 - 10 - 8161/4.6=3, 2498/9227=2...(5) H ALA 18 - H TYR 4 poor 8 70 - 11 - 8161/4.6=3, 4.7/6044=2...(4) Peak 8122 from nnoeabs.peaks (8.48, 8.36, 119.31 ppm; 4.19 A): 4 out of 6 assignments used, quality = 0.91: H VAL 54 + H TYR 4 OK 72 92 - 78 - 3.0/10203=20, 11100=18...(15) H LYS 53 + H TYR 4 OK 57 84 - 68 - 11098=20, 9182/5.0=14...(15) H VAL 32 + H TYR 4 OK 20 100 - 20 - 6507/4.4=4, 10516/4.6=3...(6) H ALA 67 + H TYR 4 OK 11 100 - 11 - 10365/4.4=1, 8064/3.6=1...(4) H THR 31 - H TYR 4 lone 7 73 - 10 - 4.0/6035=2, 6501/4.4=2 H ARG 79 - H TYR 4 lone 6 61 - 9 - 6901/8121=2, 2487/8137=1...(4) Peak 8133 from nnoeabs.peaks (0.77, 8.36, 119.31 ppm; 3.83 A): 3 out of 10 assignments used, quality = 0.94: QG1 VAL 54 + H TYR 4 OK 77 96 - 81 - 2.1/8134=19, 9245/3.8=17...(16) QD1 LEU 27 + H TYR 4 OK 51 100 - 51 - 10137/5.0=15...(13) QD1 ILE 93 + H TYR 4 OK 42 100 - 42 - 4162=9, 2.1/4146=6...(10) QG2 ILE 52 - H TYR 4 OK 29 94 - 31 - 4.3/11098=12, 9162/3.0=6...(7) QG2 ILE 93 - H TYR 4 OK 25 61 - 40 - 2.1/4130=6, 3.1/4162=6...(13) QD1 LEU 6 - H TYR 4 OK 21 100 - 21 - 8226/3.0=4, 8228/3.8=3...(7) QD2 LEU 42 - H TYR 4 OK 17 100 - 17 - 3.1/6036=4, 2.1/8137=2 QD1 ILE 15 - H TYR 4 OK 14 92 - 15 - 8467/4.4=2, 2.1/8138=1 HG13 ILE 15 - H TYR 4 poor 9 77 - 12 - 1.8/8138=2, ~10366=1 QG2 ILE 8 - H TYR 4 lone 6 70 - 9 - 2.1/8137=2, ~8299=1 Peak 8134 from nnoeabs.peaks (0.66, 8.36, 119.31 ppm; 3.88 A): 3 out of 4 assignments used, quality = 0.93: QG2 VAL 54 + H TYR 4 OK 84 100 - 84 - 9227=20, 3.2/10203=16...(18) QD1 LEU 29 + H TYR 4 OK 40 100 - 40 - 8183/4.6=7, 10141/4.4=6...(13) QD2 LEU 29 + H TYR 4 OK 21 81 - 26 - 3.1/6035=5, 8183/4.6=5...(9) QG2 VAL 58 - H TYR 4 poor 8 61 - 13 - 2.1/9394=4, 8145/3.8=3 Peak 8137 from nnoeabs.peaks (1.88, 8.36, 119.31 ppm; 4.73 A): 5 out of 12 assignments used, quality = 0.89: HB VAL 54 + H TYR 4 OK 81 99 - 82 - 2.1/9227=25...(11) HB VAL 5 + H TYR 4 OK 14 61 - 23 - ~8140=11, 167/4.6=8, 8191/4.4=2 HG LEU 42 + H TYR 4 OK 13 73 - 18 - 3.0/6036=7, 2.1/8133=3...(5) HB ILE 8 + H TYR 4 OK 13 77 - 16 - 8299/3.6=3, 8299/3.0=2...(5) HB2 ARG 19 + H TYR 4 OK 11 87 - 13 - 3.9/6044=2, 789/4.6=2...(6) HB2 LYS 20 - H TYR 4 lone 7 94 - 8 - 2495/8134=1 HB3 LYS 12 - H TYR 4 lone 6 81 - 7 - ~8136=1 HB3 LYS 68 - H TYR 4 lone 5 94 - 6 - HB2 LYS 12 - H TYR 4 lone 5 73 - 6 - HB3 LYS 66 - H TYR 4 lone 3 61 - 6 - 4.7/8122=2 HB3 GLU 104 - H TYR 4 lone 3 92 - 3 - HB3 LYS 39 - H TYR 4 lone 3 65 - 4 - ~8139=1 Peak 8138 from nnoeabs.peaks (1.69, 8.36, 119.31 ppm; 4.68 A): 6 out of 20 assignments used, quality = 0.91: HB3 LYS 53 + H TYR 4 OK 75 98 - 76 - 3.9/11098=19...(18) HB2 LEU 2 + H TYR 4 OK 34 92 - 37 - 4.6/6032=17, 14573/5.4=5...(8) HB3 LYS 40 + H TYR 4 OK 20 96 - 21 - 1799/4.4=7, 2.9/6035=4...(4) HD3 LYS 90 + H TYR 4 OK 18 99 - 18 - 2.9/6036=4, 5.2/3922=3...(5) HG12 ILE 15 + H TYR 4 OK 14 100 - 14 - 2.1/8133=2, ~10366=2...(5) HB3 ARG 91 + H TYR 4 OK 10 94 - 10 - 3.9/7449=3, 4.3/7472=3 HG2 PRO 86 - H TYR 4 lone 9 100 - 9 - 6019/4.6=1, 8114/5.0=1 HD2 LYS 12 - H TYR 4 lone 7 94 - 7 - 3.6/8137=1 HD3 LYS 12 - H TYR 4 lone 7 94 - 7 - 3.6/8137=1 HG LEU 70 - H TYR 4 lone 7 97 - 7 - 6019/4.6=1 HD3 LYS 66 - H TYR 4 lone 6 92 - 6 - HD2 LYS 20 - H TYR 4 lone 5 81 - 6 - 3.5/8137=1 HG3 LYS 20 - H TYR 4 lone 5 70 - 7 - 3.0/8137=1, 8114/5.0=1 HD3 LYS 20 - H TYR 4 lone 4 70 - 6 - 3.5/8137=1 HD2 LYS 24 - H TYR 4 lone 4 99 - 4 - HD3 LYS 24 - H TYR 4 lone 4 99 - 4 - HD2 LYS 13 - H TYR 4 lone 4 94 - 4 - HD3 LYS 13 - H TYR 4 lone 4 90 - 4 - HD3 LYS 47 - H TYR 4 lone 3 92 - 4 - HD2 LYS 47 - H TYR 4 lone 3 90 - 3 - Peak 8160 from nnoeabs.peaks (8.46, 8.92, 119.95 ppm; 5.37 A): 3 out of 5 assignments used, quality = 0.98: H ILE 7 + H VAL 5 OK 83 98 - 85 - 6071/4.7=22, 4.0/8245=14...(25) H LEU 29 + H VAL 5 OK 78 84 - 93 - 2.9/8172=47, 4.6/8162=27...(23) H LYS 53 + H VAL 5 OK 56 100 - 56 - 11098/4.6=22...(14) H ALA 67 - H VAL 5 OK 19 73 - 25 - 4.7/8163=4, 2.9/8185=4...(10) H VAL 32 - H VAL 5 OK 18 73 - 24 - 4.6/6056=8, 6512/4.7=6...(5) Peak 8161 from nnoeabs.peaks (8.65, 8.92, 119.95 ppm; 5.52 A): 3 out of 3 assignments used, quality = 0.90: H LEU 55 + H VAL 5 OK 81 87 - 93 - 9295/3.0=38, 8121/4.6=23...(17) H ASN 10 + H VAL 5 OK 29 97 - 29 - 4.6/8163=6, 8164/3.0=4...(10) H ALA 18 + H VAL 5 OK 24 97 - 25 - 10504/8183=3...(10) Peak 8162 from nnoeabs.peaks (9.09, 8.92, 119.95 ppm; 4.39 A): 2 out of 2 assignments used, quality = 0.83: H ARG 30 + H VAL 5 OK 79 100 - 79 - 3.6/8172=33, 8165/3.9=18...(14) H VAL 83 + H VAL 5 OK 17 65 - 26 - 8165/3.9=4, 8166/4.0=4...(8) Peak 8163 from nnoeabs.peaks (7.81, 8.92, 119.95 ppm; 4.72 A): 4 out of 7 assignments used, quality = 0.85: H GLU 28 + H VAL 5 OK 66 92 - 72 - 8650=27, 8655/3.6=19...(10) H SER 9 + H VAL 5 OK 31 100 - 31 - 4.6/8292=9, 8123/3.6=6...(7) H LYS 66 + H VAL 5 OK 23 98 - 23 - 8123/3.6=3, 4.0/6053=3...(8) H LYS 20 + H VAL 5 OK 16 73 - 22 - 4.9/8188=2, 8123/3.6=2...(10) HE ARG 30 - H VAL 5 poor 10 61 - 16 - 7.4/8162=10, 8168/4.0=2 H GLU 99 - H VAL 5 lone 7 81 - 9 - 8123/3.6=2, 4.9/6049=1 H TYR 41 - H VAL 5 lone 6 77 - 8 - 8123/3.6=1 Peak 8172 from nnoeabs.peaks (5.66, 8.92, 119.95 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.77: HA LEU 29 + H VAL 5 OK 77 100 - 77 - 8694=22, 8173/3.9=21...(13) Peak 8183 from nnoeabs.peaks (0.66, 8.92, 119.95 ppm; 3.99 A): 3 out of 4 assignments used, quality = 0.98: QD1 LEU 29 + H VAL 5 OK 79 100 - 80 - 4.1/8172=25...(17) QG2 VAL 54 + H VAL 5 OK 76 100 - 76 - 12128/3.0=21, ~12127=14...(14) QD2 LEU 29 + H VAL 5 OK 56 81 - 70 - 4.1/8172=25, 4.6/8162=15...(14) QG2 VAL 58 - H VAL 5 OK 11 61 - 17 - 4.0/6944=5, 2.1/6054=3...(6) Peak 8184 from nnoeabs.peaks (1.16, 8.92, 119.95 ppm; 4.70 A): 5 out of 5 assignments used, quality = 0.94: HB2 LEU 29 + H VAL 5 OK 85 100 - 85 - 2.9/8172=41, 4.3/8162=22...(13) HB3 LEU 3 + H VAL 5 OK 43 94 - 46 - 6035/4.6=12, 1.8/8187=11...(10) HG2 LYS 40 + H VAL 5 OK 18 100 - 18 - 1265/8172=3, 6035/4.6=3...(5) QG2 THR 34 + H VAL 5 OK 11 73 - 15 - 8768/4.7=6, 8194/4.0=3 QG2 THR 31 + H VAL 5 OK 10 65 - 16 - 8282/8245=2, 6035/4.6=2...(6) Peak 8185 from nnoeabs.peaks (1.34, 8.92, 119.95 ppm; 5.11 A): 9 out of 11 assignments used, quality = 0.92: HB3 LEU 27 + H VAL 5 OK 54 100 - 55 - 4.4/8650=21, 8634/4.0=21...(6) HB2 LYS 82 + H VAL 5 OK 28 100 - 28 - 4.6/8162=5, 3.5/8187=4...(6) QB ALA 67 + H VAL 5 OK 23 98 - 24 - 9528/2576=3, 10784/3.9=3...(8) HG LEU 14 + H VAL 5 OK 23 97 - 24 - 11079/2576=4, 3.0/8242=4...(7) HG2 LYS 39 + H VAL 5 OK 22 100 - 22 - 1.8/8186=4, 3.0/6053=4...(6) HG3 LYS 68 + H VAL 5 OK 17 98 - 18 - 2.9/6053=4, ~163=3...(4) QB ALA 89 + H VAL 5 OK 16 99 - 16 - 9939/4.6=3, 9931/4.0=2...(6) HG2 LYS 94 + H VAL 5 OK 15 99 - 15 - 4218/4.6=5, 4.9/6046=3 HB3 LEU 2 + H VAL 5 OK 14 92 - 15 - 12172/10377=1...(3) HG3 LYS 40 - H VAL 5 poor 7 73 - 10 - 1.8/8184=5 QB ALA 25 - H VAL 5 lone 7 99 - 7 - 6450/8650=2 Peak 8186 from nnoeabs.peaks (1.45, 8.92, 119.95 ppm; 4.46 A): 4 out of 16 assignments used, quality = 0.90: HG LEU 29 + H VAL 5 OK 68 92 - 74 - 3.6/8172=33, 3.0/8184=15...(10) HB2 LEU 27 + H VAL 5 OK 42 87 - 48 - 4.4/8650=16, 8633/4.0=12...(8) QB ALA 22 + H VAL 5 OK 29 92 - 31 - 10453/8172=10...(10) HG3 LYS 39 + H VAL 5 OK 26 99 - 26 - 3.0/6053=4, 10193/3.9=3...(10) HG2 LYS 12 - H VAL 5 OK 18 100 - 18 - 3.0/6053=4, 3.0/6053=3...(6) HG2 LYS 13 - H VAL 5 OK 16 77 - 21 - 12302/3.0=15...(3) HD2 LYS 53 - H VAL 5 OK 13 81 - 16 - 1.8/8187=5, 5.9/8160=3...(4) HD2 LYS 82 - H VAL 5 OK 13 81 - 16 - 1.8/8187=5, 3.5/8185=3 HG13 ILE 76 - H VAL 5 OK 13 94 - 13 - 1288/8172=2, 1294/8162=2 HG13 ILE 52 - H VAL 5 OK 12 87 - 14 - 8139/3.6=2, ~8189=2...(4) HG2 LYS 53 - H VAL 5 poor 7 65 - 11 - 3.0/8187=4, 5.0/8160=4 HG2 LYS 20 - H VAL 5 lone 6 87 - 7 - 4.9/8163=2 HD2 LYS 40 - H VAL 5 lone 5 61 - 8 - 3.0/8184=3 HB2 LEU 38 - H VAL 5 lone 3 92 - 4 - HG LEU 38 - H VAL 5 lone 3 81 - 4 - HG3 ARG 91 - H VAL 5 lone 3 97 - 3 - Peak 8187 from nnoeabs.peaks (1.56, 8.92, 119.95 ppm; 4.35 A): 5 out of 5 assignments used, quality = 0.84: HB3 GLU 28 + H VAL 5 OK 61 100 - 61 - 10490=22, 4.0/8650=16...(7) HB2 LEU 3 + H VAL 5 OK 35 94 - 37 - 8135/3.6=9, 1.8/8184=9...(8) HD3 LYS 53 + H VAL 5 OK 17 92 - 19 - 6034/4.6=4, 8135/3.6=4...(5) HD3 LYS 82 + H VAL 5 OK 17 99 - 17 - 3.5/8185=3, 3.5/8188=2...(6) HG2 LYS 33 + H VAL 5 OK 11 81 - 14 - 4.9/6056=5, 1446/4.7=4...(4) Peak 8188 from nnoeabs.peaks (1.75, 8.92, 119.95 ppm; 4.98 A): 5 out of 7 assignments used, quality = 0.88: HB2 GLU 28 + H VAL 5 OK 63 99 - 64 - 1.8/10490=26...(7) HB ILE 56 + H VAL 5 OK 48 73 - 65 - 2.1/2576=13, 2.9/2584=12...(12) HG3 ARG 19 + H VAL 5 OK 19 84 - 22 - 4.9/8163=3, 1.8/808=2...(9) HB3 LYS 82 + H VAL 5 OK 16 70 - 23 - 4.6/8162=5, 1.8/8185=5...(4) HB2 LYS 66 + H VAL 5 OK 11 61 - 19 - 4.0/8163=4, 1.8/6053=4...(4) HD2 LYS 90 - H VAL 5 lone 6 96 - 6 - 10366/3.6=1 HB ILE 15 - H VAL 5 lone 5 65 - 7 - 10366/3.6=2, 10499/8183=1 Peak 8199 from nnoeabs.peaks (8.63, 9.31, 126.92 ppm; 4.38 A): 2 out of 2 assignments used, quality = 0.91: H LEU 55 + H LEU 6 OK 89 100 - 89 - 9295/3.6=36, 9294=33...(14) H ASN 10 + H LEU 6 OK 19 96 - 19 - 8164/3.6=5, 12108/4.1=4...(7) Peak 8216 from nnoeabs.peaks (4.88, 9.31, 126.92 ppm; 3.69 A): 2 out of 2 assignments used, quality = 0.82: HA ILE 56 + H LEU 6 OK 72 98 - 74 - 3.6/9333=16, 3.2/8232=15...(15) HA THR 31 + H LEU 6 OK 36 100 - 36 - 8251/4.6=9, 8219/2.9=8...(9) Peak 8217 from nnoeabs.peaks (4.69, 9.31, 126.92 ppm; 5.93 A): 2 out of 2 assignments used, quality = 0.70: HA LEU 55 + H LEU 6 OK 65 73 - 88 - 2.9/8199=39, 8180/4.1=30...(9) HA LYS 82 + H LEU 6 OK 15 77 - 20 - 10901/4.1=8, 9305/9311=6...(4) Peak 8232 from nnoeabs.peaks (0.61, 9.31, 126.92 ppm; 4.17 A): 2 out of 2 assignments used, quality = 0.86: QG2 ILE 56 + H LEU 6 OK 75 87 - 87 - 3.2/8216=22, 8236/4.0=19...(18) QD1 ILE 7 + H LEU 6 OK 42 94 - 45 - 6083/4.6=20, ~8256=13...(8) Peak 8233 from nnoeabs.peaks (1.37, 9.31, 126.92 ppm; 5.49 A): 5 out of 7 assignments used, quality = 0.87: HB3 ARG 30 + H LEU 6 OK 68 100 - 69 - 8699/2.9=34, ~8696=26...(8) HG12 ILE 8 + H LEU 6 OK 29 99 - 29 - 8312/8232=6...(9) HG LEU 14 + H LEU 6 OK 21 65 - 33 - 2.1/6067=7, 11079/9311=5...(9) HG3 LYS 68 + H LEU 6 OK 16 61 - 26 - 2.9/6060=6, ~10372=5...(6) HB2 LEU 70 + H LEU 6 OK 15 100 - 15 - 9543/4.6=3, 8234/2.9=2...(4) HG3 LYS 40 - H LEU 6 poor 9 94 - 10 - 2.9/6065=2, 10335/1412=2...(5) HG3 LYS 94 - H LEU 6 lone 6 84 - 7 - 8234/2.9=2 Peak 8237 from nnoeabs.peaks (8.94, 8.46, 119.78 ppm; 5.34 A): 1 out of 1 assignment used, quality = 0.86: H LEU 57 + H ILE 7 OK 86 92 - 94 - 9333/4.6=28, 8239/3.0=27...(21) Peak 8238 from nnoeabs.peaks (9.10, 8.46, 119.78 ppm; 4.30 A): 2 out of 2 assignments used, quality = 0.76: H ARG 30 + H ILE 7 OK 72 99 - 73 - 8698/3.6=31, 6475=18...(16) H VAL 83 + H ILE 7 OK 15 84 - 17 - 10380/4.7=6, 8200/3.6=4 Peak 8251 from nnoeabs.peaks (4.89, 8.46, 119.78 ppm; 3.42 A): 2 out of 2 assignments used, quality = 0.68: HA ILE 56 + H ILE 7 OK 46 90 - 51 - 3.6/8237=12, 8219/3.6=10...(11) HA THR 31 + H ILE 7 OK 41 100 - 41 - 3.0/8252=12, 8255/4.0=11...(7) Peak 8252 from nnoeabs.peaks (4.25, 8.46, 119.78 ppm; 4.80 A): 2 out of 2 assignments used, quality = 0.55: HB THR 31 + H ILE 7 OK 46 97 - 48 - 3.0/8251=21, 8264/4.0=17...(7) HA SER 49 + H ILE 7 OK 16 100 - 16 - 8264/4.0=3, 9053/4.3=2...(6) Peak 8269 from nnoeabs.peaks (1.84, 8.46, 119.78 ppm; 5.18 A): 5 out of 5 assignments used, quality = 0.94: HB3 LEU 57 + H ILE 7 OK 79 87 - 91 - ~8271=31, 3.9/8237=28...(18) HB2 LYS 53 + H ILE 7 OK 47 99 - 48 - 2393=9, 1.8/2404=8...(14) HG2 ARG 46 + H ILE 7 OK 23 90 - 25 - 8284/4.5=5, 8272/3.0=5...(7) HB2 LYS 68 + H ILE 7 OK 21 100 - 21 - 10372/3.6=6, 2.9/6074=2...(7) HB3 LYS 90 + H ILE 7 OK 16 100 - 16 - 8284/4.5=3, ~8272=2...(4) Peak 8270 from nnoeabs.peaks (1.94, 8.46, 119.78 ppm; 4.95 A): 2 out of 10 assignments used, quality = 0.50: HB VAL 32 + H ILE 7 OK 41 100 - 41 - 1400/4.6=11, 4.4/6071=8...(10) HB3 ARG 19 + H ILE 7 OK 16 94 - 17 - 8516/4.0=5, ~8273=2...(5) HB3 LYS 20 - H ILE 7 lone 6 99 - 6 - HB2 MET 1 - H ILE 7 lone 4 100 - 4 - HG3 GLU 88 - H ILE 7 lone 3 99 - 3 - HB2 GLU 17 - H ILE 7 lone 3 100 - 3 - HB3 LYS 73 - H ILE 7 lone 2 65 - 3 - HB3 LYS 47 - H ILE 7 lone 2 81 - 2 - HB2 LYS 94 - H ILE 7 lone 2 73 - 2 - HB2 LYS 73 - H ILE 7 lone 2 61 - 3 - Peak 8288 from nnoeabs.peaks (1.19, 8.80, 128.92 ppm; 4.44 A): 2 out of 3 assignments used, quality = 0.85: HB2 LEU 57 + H ILE 8 OK 76 97 - 78 - 1.8/8289=24, 8271/3.6=23...(16) HB2 LEU 6 + H ILE 8 OK 39 94 - 41 - 4.3/6086=15, 8220/3.6=10...(11) QG2 THR 34 - H ILE 8 lone 8 81 - 9 - 6073/4.7=3, 2.1/6093=2...(4) Peak 8289 from nnoeabs.peaks (1.82, 8.80, 128.92 ppm; 4.16 A): 3 out of 9 assignments used, quality = 0.79: HB3 LEU 57 + H ILE 8 OK 72 100 - 72 - 1.8/8288=21, 3.9/8292=16...(18) HG2 ARG 46 + H ILE 8 OK 15 99 - 16 - 8272/3.6=4, 9023/4.4=2...(6) HB2 LEU 42 + H ILE 8 OK 12 81 - 15 - 8272/3.6=3, 3.0/6094=2...(6) HB2 LYS 90 - H ILE 8 lone 8 94 - 8 - 8272/3.6=2 HB3 LYS 90 - H ILE 8 lone 6 84 - 7 - 8272/3.6=2 HB2 GLU 88 - H ILE 8 lone 5 87 - 5 - 8272/3.6=1 HB2 LYS 68 - H ILE 8 lone 5 70 - 6 - 8269/4.7=1 HB ILE 93 - H ILE 8 lone 3 65 - 5 - 3.2/11004=2 HB2 GLU 104 - H ILE 8 lone 3 87 - 3 - Peak 8290 from nnoeabs.peaks (2.60, 8.80, 128.92 ppm; 5.50 A): 1 out of 1 assignment used, quality = 0.92: HB VAL 58 + H ILE 8 OK 92 100 - 93 - 3.0/8298=47, 8301/3.8=31...(15) Peak 8292 from nnoeabs.peaks (8.92, 8.80, 128.92 ppm; 4.18 A): 2 out of 2 assignments used, quality = 0.88: H LEU 57 + H ILE 8 OK 78 99 - 79 - 9331=23, 9332/3.6=19...(16) H VAL 5 + H ILE 8 OK 44 98 - 45 - 8239/3.6=10, 8245/4.4=8...(13) Peak 8298 from nnoeabs.peaks (5.25, 8.80, 128.92 ppm; 3.73 A): 1 out of 1 assignment used, quality = 0.78: HA VAL 58 + H ILE 8 OK 78 100 - 78 - 8300/3.8=24, 2654=22...(13) Peak 8314 from nnoeabs.peaks (1.14, 7.81, 116.36 ppm; 4.55 A): 3 out of 5 assignments used, quality = 0.76: QG2 THR 31 + H SER 9 OK 62 100 - 62 - 2.1/8337=22, 10515=21...(9) HG2 LYS 40 + H SER 9 OK 26 77 - 34 - 1.8/6105=6, 2.9/1805=5...(12) HB3 LEU 3 + H SER 9 OK 15 97 - 15 - 3.0/8339=4, 4.0/11124=1 HG3 LYS 82 - H SER 9 lone 8 99 - 8 - 8462/8316=1 HB2 LEU 29 - H SER 9 lone 6 70 - 9 - 4.0/6461=1 Peak 8315 from nnoeabs.peaks (1.53, 7.81, 116.36 ppm; 4.98 A): 3 out of 10 assignments used, quality = 0.94: HB ILE 7 + H SER 9 OK 72 99 - 73 - 4.5/6101=20, 3.0/8339=15...(17) HG3 ARG 30 + H SER 9 OK 53 100 - 53 - 3.9/8338=30...(8) HB2 LEU 14 + H SER 9 OK 51 99 - 52 - 1.8/6103=9, 3.1/10412=9...(13) HG12 ILE 56 - H SER 9 OK 25 99 - 25 - 2.1/6107=6, 1.8/6107=6...(4) HG LEU 6 - H SER 9 OK 18 100 - 18 - 6088/4.6=4, 8224/8339=2...(4) HG LEU 2 - H SER 9 OK 16 87 - 18 - 2.1/6106=4, 6088/4.6=3 HG2 ARG 79 - H SER 9 OK 12 97 - 12 - 1348/8338=3, 4.7/8346=2 HG3 ARG 79 - H SER 9 OK 11 96 - 11 - 1348/8338=3, 4.7/8346=2 HB3 LEU 103 - H SER 9 lone 4 99 - 4 - HG3 LYS 24 - H SER 9 lone 2 61 - 3 - Peak 8316 from nnoeabs.peaks (1.73, 7.81, 116.36 ppm; 5.34 A): 0 out of 7 assignments used, low quality = 0.24: HB ILE 15 - H SER 9 OK 15 100 - 15 - 3.2/8436=5, 8733/10515=3...(5) HB3 LEU 70 - H SER 9 OK 10 90 - 11 - 1.8/6105=4 HB2 GLU 28 - H SER 9 poor 8 73 - 10 - 4.6/6461=2, 1.8/1242=2...(4) HD3 LYS 33 - H SER 9 lone 7 100 - 7 - 8733/10515=2, 8727/8337=2 HD2 LYS 33 - H SER 9 lone 7 100 - 7 - 8733/10515=2, 8727/8337=2 HD2 ARG 81 - H SER 9 lone 3 100 - 3 - HD2 LYS 90 - H SER 9 lone 3 84 - 4 - Peak 8332 from nnoeabs.peaks (0.77, 8.65, 122.44 ppm; 3.91 A): 4 out of 9 assignments used, quality = 0.98: QD1 ILE 93 + H ALA 18 OK 79 100 - 79 - 10020/2.9=37...(13) QD1 ILE 15 + H ALA 18 OK 58 97 - 60 - 4.2/6263=20, 8439=10...(15) HG13 ILE 15 + H ALA 18 OK 50 87 - 58 - 4.1/6263=21, 2.1/8439=9...(14) QG2 ILE 93 + H ALA 18 OK 45 73 - 62 - ~10020=13, ~10026=13...(13) QG1 VAL 54 - H ALA 18 OK 24 99 - 24 - 2.1/8333=4, 8482/2.9=3...(8) QD2 LEU 42 - H ALA 18 OK 15 100 - 15 - ~12032=3, 2.1/8333=2...(6) QD1 LEU 27 - H ALA 18 OK 14 100 - 14 - 4.7/6275=2, 3.1/8334=2...(5) QD1 LEU 6 - H ALA 18 lone 8 99 - 8 - ~12032=2, 2.1/8333=1, 8482/2.9=1 QG2 ILE 52 - H ALA 18 lone 6 87 - 7 - Peak 8333 from nnoeabs.peaks (0.67, 8.65, 122.44 ppm; 4.11 A): 4 out of 6 assignments used, quality = 0.84: QD1 LEU 14 + H ALA 18 OK 65 96 - 68 - 12032/2.9=23, ~12013=16...(11) QD1 LEU 29 + H ALA 18 OK 38 73 - 52 - 8672/2.9=21, ~8483=9...(9) QG2 VAL 54 + H ALA 18 OK 16 77 - 21 - 8481/2.9=4, 2.1/8332=3...(10) QG2 VAL 58 + H ALA 18 OK 11 98 - 11 - 12032/2.9=4, ~12031=2...(4) QD1 LEU 42 - H ALA 18 poor 10 61 - 16 - 12032/2.9=5, 2.1/8332=2...(6) QD2 LEU 6 - H ALA 18 lone 6 70 - 9 - 12032/2.9=3, 12021/6263=1 Peak 8334 from nnoeabs.peaks (1.33, 8.65, 122.44 ppm; 4.48 A): 7 out of 10 assignments used, quality = 0.89: HG LEU 14 + H ALA 18 OK 55 73 - 76 - ~12013=19, 2.1/8333=18...(13) QB ALA 89 + H ALA 18 OK 47 99 - 47 - 9940=30, ~10976=7...(6) HB3 LEU 2 + H ALA 18 OK 17 100 - 17 - 12026/4.6=5, 1.8/8335=3...(6) HB3 LEU 27 + H ALA 18 OK 16 92 - 17 - 12030/2.9=3, 4.4/6275=3...(5) HG2 LYS 39 + H ALA 18 OK 13 90 - 14 - 12030/2.9=2, ~8484=2...(4) QB ALA 25 + H ALA 18 OK 12 99 - 12 - ~8496=3, 12030/2.9=2, ~8493=2 HG2 LYS 94 + H ALA 18 OK 12 99 - 12 - 12030/2.9=2, 4211/4.6=2...(5) HB2 LYS 82 - H ALA 18 lone 6 94 - 7 - 12030/2.9=1, 8456/6263=1 HG3 LYS 68 - H ALA 18 lone 6 77 - 7 - 12030/2.9=2, ~8486=1 QB ALA 67 - H ALA 18 lone 5 100 - 5 - 12030/2.9=1 Peak 8335 from nnoeabs.peaks (1.71, 8.65, 122.44 ppm; 4.87 A): 9 out of 17 assignments used, quality = 0.90: HB ILE 15 + H ALA 18 OK 52 61 - 85 - 3.0/6263=38, ~772=23...(12) HG12 ILE 15 + H ALA 18 OK 45 70 - 65 - 4.1/6263=32, 2.1/8439=14...(10) HB2 LEU 2 + H ALA 18 OK 19 94 - 21 - 1.8/8334=4, 12277/4.6=3...(6) HD3 LYS 90 + H ALA 18 OK 16 81 - 20 - 5.2/6262=4, 12233/757=2...(8) HB3 LEU 70 + H ALA 18 OK 13 99 - 13 - 8487/2.9=3, 9544/8333=2...(4) HD2 LYS 12 + H ALA 18 OK 11 92 - 12 - 8487/2.9=2, ~8487=1...(4) HD3 LYS 12 + H ALA 18 OK 11 92 - 12 - 8487/2.9=2, ~8487=1...(4) HD3 LYS 13 + H ALA 18 OK 11 96 - 11 - 8487/2.9=2, 6.0/6266=1, ~8487=1 HD2 LYS 13 + H ALA 18 OK 10 92 - 11 - 8487/2.9=1, 6.0/6266=1, ~8487=1 HG LEU 70 - H ALA 18 lone 8 87 - 9 - ~8487=2, 9545/8333=1, 638/6263=1 HD2 ARG 81 - H ALA 18 lone 7 77 - 9 - 6.2/11127=4, 8487/2.9=1 HD3 LYS 66 - H ALA 18 lone 7 94 - 7 - 6.1/6275=2, 8487/2.9=1 HD2 LYS 33 - H ALA 18 lone 5 81 - 6 - 8487/2.9=1, 636/6263=1 HD3 LYS 33 - H ALA 18 lone 5 81 - 6 - 8487/2.9=1, 636/6263=1 HG2 PRO 86 - H ALA 18 lone 4 65 - 6 - 9545/8333=2 HD3 LYS 24 - H ALA 18 lone 3 81 - 4 - HD2 LYS 24 - H ALA 18 lone 3 77 - 4 - Peak 8337 from nnoeabs.peaks (4.23, 7.81, 116.36 ppm; 5.46 A): 0 out of 3 assignments used, low quality = 0.45: HB THR 31 - H SER 9 OK 45 87 - 52 - 2.1/10515=27...(6) HA SER 49 - H SER 9 poor 8 73 - 10 - 12109/4.1=3, ~6798=2 HA ASP 87 - H SER 9 lone 3 99 - 3 - Peak 8338 from nnoeabs.peaks (4.91, 7.81, 116.36 ppm; 4.87 A): 0 out of 1 assignment used, low quality = 0.37: HA ARG 30 - H SER 9 OK 37 100 - 37 - 3.9/10508=11...(7) Peak 8339 from nnoeabs.peaks (5.14, 7.81, 116.36 ppm; 5.36 A): 4 out of 4 assignments used, quality = 0.87: HA ILE 7 + H SER 9 OK 70 98 - 71 - 6087/4.6=27, 8299/4.4=17...(12) HA TYR 4 + H SER 9 OK 33 98 - 33 - 8123=9, 3.6/8163=7...(9) HA LEU 3 + H SER 9 OK 25 94 - 27 - 8299/4.4=5, 6087/4.6=5...(6) HA SER 85 + H SER 9 OK 15 100 - 15 - 8299/4.4=4, 6087/4.6=3...(4) Peak 8340 from nnoeabs.peaks (6.07, 7.81, 116.36 ppm; 5.35 A): 1 out of 1 assignment used, quality = 0.90: HG SER 9 + H SER 9 OK 90 90 - 100 - 5.0=100 Peak 8346 from nnoeabs.peaks (8.49, 7.81, 116.36 ppm; 4.28 A): 5 out of 6 assignments used, quality = 0.89: H THR 31 + H SER 9 OK 54 99 - 55 - 3.6/8338=23, 3.9/8337=15...(8) H VAL 32 + H SER 9 OK 54 87 - 62 - 10147/3.6=21...(11) H ALA 67 + H SER 9 OK 22 87 - 25 - 7084=4, 11115/3.6=3...(8) H VAL 54 + H SER 9 OK 21 100 - 21 - 6899/4.6=4, 4.6/6111=3...(5) H ARG 79 + H SER 9 OK 11 97 - 11 - 1319/8338=2 H LEU 2 - H SER 9 lone 6 70 - 8 - 4.7/6106=2, 4.7/8315=1 Peak 8350 from nnoeabs.peaks (6.06, 8.64, 122.61 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.67: HG SER 9 + H ASN 10 OK 67 100 - 67 - 2.8/343=22, 8372/4.6=21...(6) Peak 8369 from nnoeabs.peaks (0.71, 8.67, 122.72 ppm; 3.86 A): 4 out of 9 assignments used, quality = 0.93: QD2 LEU 14 + H ASP 11 OK 84 100 - 84 - 8400=38, 2.1/8398=26...(16) QD1 ILE 8 + H ASP 11 OK 42 100 - 42 - 3.2/8370=5, 4.1/6142=5...(17) QD1 ILE 56 + H ASP 11 OK 15 100 - 15 - 2.1/8371=2, 624/8398=2...(6) HG13 ILE 56 + H ASP 11 OK 14 97 - 14 - 1.8/8371=2, 624/8398=2...(4) QG1 VAL 58 - H ASP 11 lone 8 84 - 10 - 2670/8398=2, 608/8396=1 QD1 ILE 52 - H ASP 11 lone 7 84 - 8 - 3.1/10389=1 QD1 LEU 42 - H ASP 11 lone 6 61 - 10 - 2.1/10389=2, 2.1/8370=2...(5) QG2 VAL 78 - H ASP 11 lone 2 81 - 3 - QG1 VAL 5 - H ASP 11 lone 1 61 - 2 - Peak 8370 from nnoeabs.peaks (1.90, 8.67, 122.72 ppm; 3.99 A): 6 out of 11 assignments used, quality = 0.95: HB3 LEU 14 + H ASP 11 OK 81 100 - 81 - 3.1/8400=27, 3.1/8398=24...(13) HB ILE 8 + H ASP 11 OK 44 98 - 45 - 290/3.0=8, 3.2/8369=7...(12) HB3 LYS 13 + H ASP 11 OK 20 84 - 24 - 4.6/8394=13, 8362/4.0=2...(7) HB2 LYS 13 + H ASP 11 OK 17 77 - 22 - 4.6/8394=13, 8362/4.0=2...(6) HG LEU 42 + H ASP 11 OK 13 99 - 13 - 2.1/10389=2, 8365/4.0=2...(7) HB VAL 54 + H ASP 11 OK 12 73 - 16 - 2.1/10389=4, 8368/3.0=2...(5) HB2 GLU 43 - H ASP 11 lone 7 99 - 7 - 4.4/6141=2 HB2 ARG 19 - H ASP 11 lone 6 94 - 6 - HB2 LYS 20 - H ASP 11 lone 4 87 - 5 - HB3 LYS 33 - H ASP 11 lone 3 81 - 4 - HB2 LYS 33 - H ASP 11 lone 2 73 - 3 - Peak 8371 from nnoeabs.peaks (1.52, 8.67, 122.72 ppm; 4.97 A): 2 out of 11 assignments used, quality = 0.98: HB2 LEU 14 + H ASP 11 OK 95 100 - 95 - 3.1/8400=39, 1.8/8396=37...(16) HB ILE 7 + H ASP 11 OK 59 100 - 59 - 2.9/8247=26, 8397=14...(11) HG12 ILE 56 - H ASP 11 OK 25 96 - 26 - 2.1/8369=4, 1.8/8369=4...(10) HG LEU 6 - H ASP 11 OK 16 100 - 16 - 214/8398=2, 8366/4.0=2...(8) HG LEU 2 - H ASP 11 OK 14 96 - 15 - 3.0/10390=3, 259/8247=2...(6) HG3 ARG 30 - H ASP 11 lone 7 97 - 7 - 620/8398=1, 628/8400=1 HG3 LYS 24 - H ASP 11 lone 5 77 - 7 - 3.0/10390=1 HG2 ARG 79 - H ASP 11 lone 4 90 - 4 - HG3 LYS 33 - H ASP 11 lone 4 61 - 6 - HB3 LEU 103 - H ASP 11 lone 4 100 - 4 - HG3 ARG 79 - H ASP 11 lone 4 87 - 4 - Peak 8372 from nnoeabs.peaks (6.07, 8.67, 122.72 ppm; 3.67 A): 1 out of 1 assignment used, quality = 0.64: HG SER 9 + H ASP 11 OK 64 97 - 66 - 2.8/10388=18...(11) Peak 8380 from nnoeabs.peaks (0.75, 8.56, 125.74 ppm; 4.26 A): 2 out of 12 assignments used, quality = 0.94: QD1 ILE 15 + H LYS 12 OK 79 98 - 81 - 8438=18, 8448/3.6=13...(23) HG13 ILE 15 + H LYS 12 OK 74 100 - 74 - 2.1/8438=18, 8381/2.9=12...(22) QD1 LEU 27 - H LYS 12 OK 18 77 - 23 - 8381/2.9=4, 10484/4.0=3...(9) QG1 VAL 54 - H LYS 12 OK 15 96 - 16 - 10658/2.9=5, 10656/4.5=2...(5) QG2 ILE 93 - H LYS 12 lone 10 100 - 10 - 12249/2.9=2 QD2 LEU 42 - H LYS 12 poor 9 84 - 11 - 8924/2.9=2, 8383/4.6=1 QD1 ILE 93 - H LYS 12 lone 6 73 - 9 - 8381/2.9=1 QG1 VAL 78 - H LYS 12 lone 6 96 - 6 - 10351/4.0=1, 10351/4.0=1 HG13 ILE 93 - H LYS 12 lone 4 92 - 5 - QD1 LEU 64 - H LYS 12 lone 2 87 - 3 - QD1 LEU 6 - H LYS 12 lone 2 70 - 3 - HG3 ARG 81 - H LYS 12 lone 2 81 - 2 - Peak 8383 from nnoeabs.peaks (0.76, 8.07, 119.60 ppm; 5.00 A): 2 out of 12 assignments used, quality = 0.92: QD1 ILE 15 + H LYS 13 OK 77 99 - 77 - 8438/4.6=17, 8381/3.6=15...(23) HG13 ILE 15 + H LYS 13 OK 68 100 - 68 - 8381/3.6=13, 2.1/677=12...(17) QD1 LEU 27 - H LYS 13 OK 21 84 - 26 - 8381/3.6=5, 10484/4.2=4...(7) QG1 VAL 54 - H LYS 13 OK 19 98 - 19 - 10658/3.6=6, 10210/4.8=3...(4) QD2 LEU 42 - H LYS 13 OK 15 90 - 16 - 8924/3.6=3, 10852/4.8=2...(5) QG1 VAL 78 - H LYS 13 OK 13 92 - 14 - 2.1/8384=3, 10351/4.2=1...(4) QG2 ILE 93 - H LYS 13 OK 12 99 - 12 - 12249/3.6=2, 8380/4.6=1 QD1 ILE 93 - H LYS 13 OK 10 81 - 12 - 8381/3.6=2, 10020/8494=1 QD1 LEU 64 - H LYS 13 poor 9 81 - 11 - ~8385=3, 3.1/6177=1 HG13 ILE 93 - H LYS 13 lone 4 87 - 5 - QD1 LEU 6 - H LYS 13 lone 3 77 - 4 - HG3 ARG 81 - H LYS 13 lone 2 73 - 3 - Peak 8384 from nnoeabs.peaks (0.72, 8.07, 119.60 ppm; 4.98 A): 8 out of 11 assignments used, quality = 0.87: QD2 LEU 14 + H LYS 13 OK 53 73 - 72 - 4.8/6182=22, 4.0/8389=12...(16) QD1 ILE 8 + H LYS 13 OK 33 77 - 42 - 4.1/8390=30, 8386/2.9=3...(5) HG13 ILE 56 + H LYS 13 OK 16 92 - 17 - 6202/4.6=3, 8386/2.9=2...(5) QG1 VAL 58 + H LYS 13 OK 15 99 - 15 - 287/8390=2, 8386/2.9=2...(5) QG1 VAL 5 + H LYS 13 OK 14 100 - 14 - 175/4.2=3, 175/4.2=3...(5) QD2 LEU 27 + H LYS 13 OK 14 99 - 14 - 2.1/8383=3, 2.1/6168=2...(5) QG2 VAL 78 + H LYS 13 OK 13 100 - 13 - 2.1/8383=2, 8386/2.9=1 QD1 ILE 56 + H LYS 13 OK 11 70 - 16 - 6202/4.6=3, 8386/2.9=2...(4) QD1 LEU 64 - H LYS 13 poor 7 70 - 10 - ~8385=3, 3.1/6177=1 HG13 ILE 93 - H LYS 13 lone 3 61 - 6 - 3.2/8383=2, 2.1/8383=2 HG3 ARG 81 - H LYS 13 lone 2 77 - 3 - Peak 8389 from nnoeabs.peaks (3.67, 8.07, 119.60 ppm; 5.22 A): 4 out of 4 assignments used, quality = 0.87: HA LEU 14 + H LYS 13 OK 68 94 - 73 - 3.0/6182=31, 8391/2.9=15...(13) HB THR 80 + H LYS 13 OK 28 98 - 28 - 6197/4.6=7, 8391/2.9=5...(10) HA LYS 90 + H LYS 13 OK 27 99 - 27 - 8391/2.9=5, 6197/4.6=4...(5) HA GLU 88 + H LYS 13 OK 23 81 - 28 - 8393/4.0=6, 8393/4.0=6...(9) Peak 8390 from nnoeabs.peaks (4.62, 8.07, 119.60 ppm; 4.60 A): 0 out of 1 assignment used, low quality = 0.14: HA ILE 8 - H LYS 13 OK 14 94 - 15 - 4.1/8384=4, 8419/4.6=2...(5) Peak 8394 from nnoeabs.peaks (8.68, 7.55, 122.27 ppm; 5.35 A): 1 out of 1 assignment used, quality = 0.88: H ASP 11 + H LEU 14 OK 88 96 - 92 - 8400/4.8=32, 8396/3.8=31...(15) Peak 8418 from nnoeabs.peaks (2.45, 7.55, 122.27 ppm; 4.69 A): 0 out of 2 assignments used, low quality = 0.32: HB3 TYR 4 - H LEU 14 OK 32 99 - 33 - 8428/3.0=23, 8148/4.8=6 HG3 GLU 99 - H LEU 14 lone 7 77 - 8 - 8428/3.0=5 Peak 8419 from nnoeabs.peaks (4.60, 7.55, 122.27 ppm; 5.69 A): 2 out of 4 assignments used, quality = 0.94: HA ASP 11 + H LEU 14 OK 86 99 - 87 - 3.0/8394=38, 3.6/6185=27...(10) HA ILE 8 + H LEU 14 OK 57 92 - 62 - 8421/3.8=13, 8390/4.6=12...(16) HB THR 34 - H LEU 14 OK 18 98 - 18 - 4.0/8769=5, 10524/8772=3...(5) HA HIS 105 - H LEU 14 lone 6 96 - 6 - Peak 8460 from nnoeabs.peaks (1.23, 8.07, 118.21 ppm; 4.04 A): 2 out of 2 assignments used, quality = 0.86: QB ALA 18 + H ILE 15 OK 84 100 - 84 - 772/3.0=35, 8494=17...(17) QG2 THR 84 + H ILE 15 OK 11 73 - 14 - 12012/4.9=5, 12013/4.9=5 Peak 8461 from nnoeabs.peaks (2.99, 8.07, 118.21 ppm; 4.41 A): 3 out of 5 assignments used, quality = 0.86: HB3 ASP 11 + H ILE 15 OK 62 97 - 64 - 8379/4.6=15, 1.8/8376=11...(11) HB2 SER 9 + H ILE 15 OK 49 99 - 49 - 8414/4.9=9, 8445/5.0=8...(12) HB2 PHE 45 + H ILE 15 OK 30 99 - 30 - 4.5/6222=7, 2047/4.6=5...(9) HE3 LYS 47 - H ILE 15 lone 8 84 - 9 - 6.3/6208=1 HE2 LYS 47 - H ILE 15 lone 8 84 - 9 - 6.3/6208=1 Peak 8472 from nnoeabs.peaks (1.24, 8.02, 118.48 ppm; 5.55 A): 2 out of 4 assignments used, quality = 0.65: QB ALA 18 + H GLU 16 OK 61 73 - 83 - 2.9/6264=33, 643/3.6=32...(11) QG2 THR 84 + H GLU 16 OK 10 100 - 10 - 9839/4.0=3, 643/3.6=2 QB ALA 18 - H ARG 46 poor 7 29 - 23 - 2.9/6264=8, 643/641=4...(5) QG2 THR 84 - H ARG 46 lone 2 48 - 4 - Peak 8473 from nnoeabs.peaks (1.45, 8.02, 118.48 ppm; 5.16 A): 7 out of 34 assignments used, quality = 0.89: HG2 LYS 20 + H GLU 16 OK 50 99 - 51 - 3.7/6236=6, 883/3.0=5...(24) HB2 LEU 38 + H GLU 16 OK 29 100 - 29 - 1633/4.6=4, 1.8/6237=3...(11) HG13 ILE 76 + H GLU 16 OK 26 70 - 37 - 4.5/6227=8, ~9640=7...(9) HG2 LYS 12 + H GLU 16 OK 23 96 - 25 - 3.7/6225=7, 425/4.6=6...(7) HG LEU 38 + H GLU 16 OK 21 98 - 21 - 3.0/6237=3, 1649/4.6=3...(7) HG13 ILE 52 + H ARG 46 OK 16 46 - 36 - 2.1/9151=8, ~9027=8...(11) HG13 ILE 76 + H ARG 46 OK 15 27 - 55 - ~9639=15, 2.1/9630=13...(12) HG3 ARG 91 - H GLU 16 OK 15 100 - 15 - ~10992=4, 4.0/1958=2 HG3 ARG 91 - H ARG 46 OK 15 48 - 31 - 4.0/1958=7, 4053/4.6=7...(10) HG13 ILE 52 - H GLU 16 OK 13 99 - 14 - ~9171=1, 10642/5.1=1, ~9164=1 QB ALA 22 - H GLU 16 OK 13 65 - 20 - 4.5/6226=8, ~6344=4...(4) HG3 LYS 39 - H GLU 16 OK 12 87 - 13 - 1713/4.6=4, 5.2/6229=1 HB2 LEU 38 - H ARG 46 OK 11 47 - 23 - 10177/4.9=4, 10178/4.9=3...(6) HD2 LYS 53 - H ARG 46 OK 10 44 - 23 - 12114/4.0=10, 2439/4.9=5...(4) HG LEU 38 - H ARG 46 poor 9 44 - 19 - 10177/4.9=3, 10178/4.9=3...(5) HG2 LYS 53 - H ARG 46 poor 8 39 - 20 - 10177/4.9=4, 10178/4.9=4...(5) HG LEU 29 - H GLU 16 poor 7 65 - 11 - ~10423=3, 8506/10416=2...(4) HG3 LYS 39 - H ARG 46 poor 7 36 - 19 - 12073/4.0=5, 10177/4.9=3...(6) HD2 LYS 53 - H GLU 16 lone 6 98 - 6 - HB2 LEU 27 - H GLU 16 lone 6 99 - 6 - HD2 LYS 40 - H GLU 16 lone 6 90 - 6 - 5.2/6225=2 HG2 LYS 53 - H GLU 16 lone 5 92 - 6 - HD3 LYS 40 - H GLU 16 lone 5 87 - 6 - 5.2/6225=2 HG3 LYS 53 - H ARG 46 poor 5 31 - 17 - 10178/4.9=4, 10177/4.9=4...(5) HG2 LYS 12 - H ARG 46 poor 4 42 - 10 - 3.7/6225=1 HG3 LYS 53 - H GLU 16 lone 4 77 - 5 - HD2 LYS 82 - H GLU 16 lone 4 98 - 4 - HB2 LEU 27 - H ARG 46 lone 3 46 - 7 - 1188/4.6=2 HG2 LYS 20 - H ARG 46 lone 3 46 - 6 - HD2 LYS 40 - H ARG 46 lone 2 38 - 6 - HD3 LYS 40 - H ARG 46 lone 2 36 - 6 - HD2 LYS 82 - H ARG 46 lone 2 44 - 3 - QB ALA 22 - H ARG 46 lone 1 25 - 4 - HG LEU 29 - H ARG 46 lone 1 25 - 4 - Peak 8474 from nnoeabs.peaks (1.52, 8.02, 118.48 ppm; 5.33 A): 6 out of 20 assignments used, quality = 0.86: HB2 LEU 14 + H GLU 16 OK 64 100 - 65 - 4.4/6222=24, 3.8/6204=22...(10) HB ILE 7 + H GLU 16 OK 30 100 - 30 - 6211/4.6=8, 8457/3.6=5...(9) HG LEU 2 + H GLU 16 OK 15 94 - 16 - 6211/4.6=3, 73/4.4=3...(4) HB2 LEU 14 + H ARG 46 OK 15 47 - 31 - 4.4/6222=10, 3.8/6204=9...(6) HG LEU 6 + H GLU 16 OK 13 100 - 13 - 6211/4.6=3, 8457/3.6=2...(4) HG12 ILE 56 + H GLU 16 OK 11 97 - 11 - 6211/4.6=4, 8457/3.6=2...(4) HG3 LYS 24 - H GLU 16 poor 8 73 - 10 - ~9582=1, 2.9/8476=1...(4) HB ILE 7 - H ARG 46 poor 7 47 - 14 - 8277/4.9=2, 8432/4.5=1...(6) HG LEU 2 - H ARG 46 poor 5 41 - 12 - ~9025=2, ~9513=1, 2.1/10614=1 HB3 LEU 103 - H GLU 16 lone 5 100 - 4 - HG3 ARG 30 - H GLU 16 lone 4 98 - 5 - HG LEU 6 - H ARG 46 lone 4 48 - 7 - ~9027=1 HG2 ARG 79 - H GLU 16 lone 3 92 - 3 - HG3 ARG 79 - H GLU 16 lone 3 90 - 3 - HG3 LYS 24 - H ARG 46 lone 2 29 - 8 - HG12 ILE 56 - H ARG 46 lone 2 43 - 4 - HB3 LEU 103 - H ARG 46 lone 1 48 - 3 - HG3 ARG 30 - H ARG 46 lone 1 44 - 3 - HG2 ARG 79 - H ARG 46 lone 1 39 - 2 - HG3 ARG 79 - H ARG 46 lone 1 38 - 2 - Peak 8475 from nnoeabs.peaks (1.90, 8.02, 118.48 ppm; 3.97 A): 7 out of 20 assignments used, quality = 0.90: HB3 LEU 14 + H GLU 16 OK 50 99 - 51 - 4.4/6222=15, 3.8/6204=14...(9) HB2 ARG 19 + H GLU 16 OK 35 99 - 35 - 3.9/10416=10, 788/3.0=6...(11) HB2 LYS 20 + H GLU 16 OK 30 96 - 32 - 3.0/6236=5, 860/3.0=5...(13) HB3 LYS 13 + H GLU 16 OK 25 70 - 36 - 3.0/492=14, 4.6/6204=11...(7) HB2 LYS 13 + H GLU 16 OK 21 61 - 35 - 3.0/492=14, 4.6/6204=11...(7) HB2 GLU 43 + H GLU 16 OK 18 94 - 19 - 4.4/6716=4, 1.8/6237=3...(7) HB3 LEU 14 + H ARG 46 OK 10 45 - 23 - 4.4/6222=6, 3.8/6204=6...(7) HB2 GLU 43 - H ARG 46 poor 10 41 - 25 - 4.4/6716=9, 3.0/1958=6...(6) HG LEU 42 - H GLU 16 lone 9 100 - 9 - 6212/4.6=2, 2.1/6235=1 HB ILE 8 - H GLU 16 lone 8 100 - 8 - 6212/4.6=2 HB VAL 54 - H GLU 16 lone 7 87 - 8 - 2.1/6235=2, ~10423=1 HG LEU 42 - H ARG 46 poor 5 48 - 11 - ~9027=2, 4.3/6737=2, 2.1/6235=1 HB3 LYS 33 - H GLU 16 lone 4 65 - 7 - 3.5/6231=1, 3.5/6231=1 HB ILE 8 - H ARG 46 lone 4 47 - 7 - HB3 LYS 13 - H ARG 46 poor 3 27 - 12 - 4.6/6204=4, 3.0/492=4 HB2 LYS 13 - H ARG 46 poor 3 23 - 12 - 4.6/6204=4, 3.0/492=4 HB2 ARG 19 - H ARG 46 lone 3 45 - 6 - 3.9/10416=1 HB VAL 54 - H ARG 46 lone 1 36 - 3 - HB2 LYS 20 - H ARG 46 lone 1 42 - 3 - HB3 LYS 33 - H ARG 46 lone 1 25 - 3 - Peak 8476 from nnoeabs.peaks (1.97, 8.02, 118.48 ppm; 4.33 A): 7 out of 20 assignments used, quality = 0.93: HB2 ARG 46 + H ARG 46 OK 44 44 - 100 - 4.0=100 HB3 ARG 46 + H ARG 46 OK 41 41 - 100 - 4.0=100 HB2 ARG 46 + H GLU 16 OK 40 98 - 41 - 2067=8, 1.8/2077=8...(8) HB3 ARG 46 + H GLU 16 OK 38 94 - 41 - 1.8/2067=8, 2077=7...(8) HB2 LYS 47 + H ARG 46 OK 16 48 - 34 - 4.0/6761=18, 2059/3.0=2...(10) HB3 MET 74 + H GLU 16 OK 15 98 - 15 - ~10863=2, 4.3/6229=2...(6) HB2 LYS 47 + H GLU 16 OK 15 100 - 15 - 4.0/6761=6, 3.0/6226=3 HB2 LYS 24 - H GLU 16 lone 8 98 - 8 - 9582/3.0=1, ~9582=1 HB3 LYS 24 - H GLU 16 lone 8 98 - 8 - 9582/3.0=1, ~9582=1 HB2 LYS 73 - H GLU 16 lone 6 90 - 7 - 9582/3.0=2, ~9582=1, 3.0/6226=1 HB3 LYS 73 - H GLU 16 lone 6 87 - 7 - 9582/3.0=2, ~9582=1, 3.0/6226=1 QE MET 1 - H GLU 16 lone 6 96 - 6 - 5.3/6226=1 HB3 MET 74 - H ARG 46 poor 6 44 - 13 - 2098/4.9=2, 2089/4.9=2...(6) HB3 LYS 24 - H ARG 46 poor 5 44 - 11 - 6770/4.6=2 HB2 LYS 24 - H ARG 46 poor 5 44 - 11 - 6770/4.6=2 QE MET 1 - H ARG 46 poor 5 42 - 11 - 8037/4.6=3, 38/4.0=1 HB2 GLU 37 - H ARG 46 lone 4 41 - 9 - 3.0/6737=1, 2059/3.0=1 HB2 GLU 37 - H GLU 16 lone 3 94 - 3 - HB2 LYS 73 - H ARG 46 lone 2 38 - 6 - 6770/4.6=1 HB3 LYS 73 - H ARG 46 lone 2 36 - 6 - Peak 8499 from nnoeabs.peaks (8.51, 8.90, 118.56 ppm; 5.51 A): 4 out of 4 assignments used, quality = 0.50: H VAL 54 + H ARG 19 OK 18 57 - 31 - 4.0/8505=8, 3.9/6285=6...(10) H ARG 79 + H ARG 19 OK 17 90 - 19 - 9707/10915=5, 4.6/7273=4...(6) H LEU 2 + H ARG 19 OK 16 100 - 16 - 9707/10915=2...(7) H THR 31 + H ARG 19 OK 12 81 - 15 - 12050/8693=5...(4) Peak 8500 from nnoeabs.peaks (8.31, 8.90, 118.56 ppm; 5.62 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8504 from nnoeabs.peaks (0.80, 8.90, 118.56 ppm; 3.93 A): 4 out of 9 assignments used, quality = 0.91: QD1 ILE 76 + H ARG 19 OK 51 99 - 52 - 3456=8, 3.2/3432=7...(16) QG2 ILE 7 + H ARG 19 OK 51 100 - 51 - 8283/3.6=26, 8244/4.7=8...(9) QG2 ILE 15 + H ARG 19 OK 49 81 - 60 - 3.2/6277=23, 10415=16...(13) QG2 ILE 8 + H ARG 19 OK 26 94 - 27 - 12205/3.9=6, 8519/4.9=4...(9) QD2 LEU 57 - H ARG 19 lone 10 100 - 10 - 8519/4.9=1, 8516/3.9=1 QD2 LEU 2 - H ARG 19 poor 10 84 - 11 - 4.7/8499=3 QD2 LEU 70 - H ARG 19 lone 7 87 - 7 - 637/6277=1, 8516/3.9=1 QG2 ILE 52 - H ARG 19 lone 4 70 - 6 - 3.2/11120=1 QD1 LEU 70 - H ARG 19 lone 3 57 - 5 - 637/6277=1 Peak 8505 from nnoeabs.peaks (0.65, 8.90, 118.56 ppm; 3.47 A): 2 out of 3 assignments used, quality = 0.96: QD1 LEU 29 + H ARG 19 OK 81 98 - 83 - 8672/3.6=23, 8691=15...(28) QD2 LEU 29 + H ARG 19 OK 79 99 - 80 - 8693=17, 8685/3.0=16...(28) QG2 VAL 54 - H ARG 19 OK 37 97 - 38 - 2.1/6285=5, 8515/3.9=4...(15) Peak 8506 from nnoeabs.peaks (1.45, 8.90, 118.56 ppm; 4.38 A): 4 out of 17 assignments used, quality = 0.95: HG LEU 29 + H ARG 19 OK 67 84 - 80 - 2.1/8691=22, 2.1/8693=22...(19) HG2 LYS 20 + H ARG 19 OK 56 94 - 60 - 4.9/6298=19, 3.7/6280=12...(13) HG13 ILE 76 + H ARG 19 OK 45 87 - 51 - 2.1/8504=10, 3.2/3432=9...(12) QB ALA 22 + H ARG 19 OK 40 84 - 48 - ~786=9, 1007/3.0=8...(13) HB2 LEU 27 - H ARG 19 OK 20 94 - 21 - 4.4/6291=4, 1195/4.6=3...(6) HG3 LYS 39 - H ARG 19 OK 18 97 - 18 - 10568/8691=3, 8484/3.6=2...(4) HD2 LYS 82 - H ARG 19 OK 13 90 - 14 - 3.5/6288=4, 3695/4.9=2...(4) HG2 LYS 12 - H ARG 19 OK 12 100 - 12 - 8484/3.6=2, 1.8/6287=1 HG13 ILE 52 - H ARG 19 OK 11 94 - 12 - 3.8/11120=2, 6309/4.6=2...(4) HG3 ARG 91 - H ARG 19 lone 9 99 - 9 - 6309/4.6=2 HB2 LEU 38 - H ARG 19 lone 7 97 - 7 - HG2 LYS 53 - H ARG 19 lone 6 77 - 8 - 882/4.6=2 HG2 LYS 13 - H ARG 19 lone 6 65 - 10 - 4.8/6279=1, 8484/3.6=1 HD2 LYS 53 - H ARG 19 lone 6 90 - 7 - 6309/4.6=1 HG LEU 38 - H ARG 19 lone 5 90 - 5 - HD2 LYS 40 - H ARG 19 lone 4 73 - 6 - HD3 LYS 40 - H ARG 19 lone 4 70 - 6 - Peak 8526 from nnoeabs.peaks (1.24, 7.79, 118.64 ppm; 4.87 A): 2 out of 2 assignments used, quality = 0.88: QB ALA 18 + H LYS 20 OK 82 87 - 95 - 2.1/6297=46, 3.6/6298=32...(20) QG2 THR 84 + H LYS 20 OK 29 100 - 29 - 8560/4.5=10, 4.3/6315=7...(7) Peak 8527 from nnoeabs.peaks (0.77, 7.79, 118.64 ppm; 5.24 A): 7 out of 8 assignments used, quality = 0.95: QD1 ILE 93 + H LYS 20 OK 55 99 - 56 - 10026/6297=20...(7) QD1 LEU 27 + H LYS 20 OK 43 98 - 44 - 1227=7, 3.1/1195=6...(11) QG2 ILE 8 + H LYS 20 OK 36 87 - 41 - 12205/4.1=5, 4.0/6316=4...(15) QG1 VAL 54 + H LYS 20 OK 32 84 - 38 - 2.1/8528=13, 2.1/6300=5...(13) QG2 ILE 52 + H LYS 20 OK 31 99 - 31 - 9164/2.9=6, ~9171=4...(12) QD1 ILE 15 + H LYS 20 OK 21 77 - 27 - 8436=7, 8439/6296=3...(8) QD2 LEU 42 + H LYS 20 OK 15 96 - 15 - 2.1/6300=2, 1947/4.0=2...(5) QD1 LEU 6 - H LYS 20 lone 5 99 - 5 - Peak 8528 from nnoeabs.peaks (0.66, 7.79, 118.64 ppm; 4.78 A): 3 out of 3 assignments used, quality = 0.96: QD1 LEU 29 + H LYS 20 OK 78 100 - 78 - 8688/3.6=22, 8518/4.9=17...(16) QD2 LEU 29 + H LYS 20 OK 59 84 - 70 - 8685/3.6=17, 8673/4.9=12...(17) QG2 VAL 54 + H LYS 20 OK 57 100 - 57 - 8515/4.1=7, 8518/4.9=7...(20) Peak 8550 from nnoeabs.peaks (3.67, 7.68, 118.10 ppm; 5.31 A): 3 out of 4 assignments used, quality = 0.89: HA LYS 90 + H MET 21 OK 68 100 - 68 - 8549/4.0=18, 8546/5.1=17...(13) HA GLU 88 + H MET 21 OK 55 96 - 58 - 8549/4.0=10, 8546/5.1=9...(18) HB THR 80 + H MET 21 OK 26 87 - 30 - 10916/6319=14...(6) HA LEU 14 - H MET 21 poor 9 77 - 12 - 4.0/10413=3, 592/4.6=1 Peak 8560 from nnoeabs.peaks (1.24, 7.68, 118.10 ppm; 4.88 A): 2 out of 2 assignments used, quality = 0.82: QB ALA 18 + H MET 21 OK 68 81 - 85 - 2.1/6319=47, 3.6/6320=24...(17) QG2 THR 84 + H MET 21 OK 43 100 - 43 - 3774=13, 2.1/3769=8...(9) Peak 8561 from nnoeabs.peaks (1.31, 7.68, 118.10 ppm; 5.10 A): 0 out of 3 assignments used, low quality = 0.12: HB3 LEU 42 - H MET 21 OK 12 92 - 13 - 3.0/6324=3, 3.1/8562=3...(4) HG LEU 3 - H MET 21 poor 9 81 - 12 - 3.0/10441=4, 8024/8036=1 HG2 ARG 30 - H MET 21 lone 5 61 - 9 - 4.0/6322=3, ~8565=1 Peak 8562 from nnoeabs.peaks (0.76, 7.68, 118.10 ppm; 4.10 A): 4 out of 12 assignments used, quality = 0.93: QG2 ILE 93 + H MET 21 OK 69 98 - 70 - 11002/4.6=18, 10032=12...(17) QD1 ILE 93 + H MET 21 OK 52 84 - 62 - 11004/4.6=11...(17) HG13 ILE 93 + H MET 21 OK 41 84 - 50 - 3.2/10032=10, 1.8/6333=9...(12) QG1 VAL 54 + H MET 21 OK 24 99 - 24 - 2.1/10442=6, 2.1/6324=4...(7) QD1 ILE 15 - H MET 21 OK 19 100 - 19 - 8436/4.5=4, 8480/6319=2...(6) QD2 LEU 42 - H MET 21 OK 18 92 - 20 - 3.1/8561=10, 2.1/6324=3 QD1 LEU 27 - H MET 21 OK 17 87 - 20 - 4.7/6322=3, 8567/4.6=3...(7) HG13 ILE 15 - H MET 21 OK 13 100 - 13 - 8566/3.0=1, 8480/6319=1...(4) QD1 LEU 64 - H MET 21 lone 6 77 - 8 - 3.1/6337=1, 8566/3.0=1 QG1 VAL 78 - H MET 21 lone 6 90 - 7 - QD1 LEU 6 - H MET 21 lone 3 81 - 4 - HG3 ARG 81 - H MET 21 lone 2 70 - 3 - Peak 8567 from nnoeabs.peaks (0.77, 8.81, 122.15 ppm; 3.51 A): 4 out of 9 assignments used, quality = 0.88: QD1 ILE 93 + H ALA 22 OK 71 99 - 71 - 3.1/11002=18, 11004=16...(17) QD1 LEU 27 + H ALA 22 OK 46 99 - 47 - 8641/3.0=10, 3.1/8570=7...(12) QG1 VAL 54 + H ALA 22 OK 13 87 - 15 - 2.1/8568=3, 8579/2.9=1...(6) QG2 ILE 52 + H ALA 22 OK 11 99 - 11 - 9167/4.6=3, 10643/4.6=2 QD1 ILE 15 - H ALA 22 poor 9 81 - 11 - 8480/6341=1, 8579/2.9=1 QG2 ILE 8 - H ALA 22 lone 6 84 - 7 - 3.1/8570=2 QD2 LEU 42 - H ALA 22 lone 6 97 - 6 - HG13 ILE 15 - H ALA 22 lone 5 61 - 9 - 8480/6341=1 QD1 LEU 6 - H ALA 22 lone 4 100 - 4 - ~8577=1 Peak 8568 from nnoeabs.peaks (0.65, 8.81, 122.15 ppm; 4.05 A): 2 out of 3 assignments used, quality = 0.96: QD1 LEU 29 + H ALA 22 OK 84 100 - 84 - 8690=24, 2.1/8692=20...(23) QD2 LEU 29 + H ALA 22 OK 77 96 - 80 - 2.1/8690=22, 8692=19...(21) QG2 VAL 54 - H ALA 22 OK 22 99 - 22 - 10442/4.6=4, 2.1/8567=3...(8) Peak 8569 from nnoeabs.peaks (1.21, 8.81, 122.15 ppm; 4.59 A): 1 out of 2 assignments used, quality = 0.51: QB ALA 18 + H ALA 22 OK 51 70 - 73 - 2.1/6341=48, 4.9/786=13...(11) HB2 LEU 57 - H ALA 22 lone 4 77 - 5 - Peak 8570 from nnoeabs.peaks (1.36, 8.81, 122.15 ppm; 4.46 A): 3 out of 10 assignments used, quality = 0.55: HB3 LEU 27 + H ALA 22 OK 43 70 - 62 - ~10455=11, 3.1/8567=10...(15) HG3 LYS 68 + H ALA 22 OK 12 87 - 14 - 4.0/786=8, ~8582=2 HG3 LYS 94 + H ALA 22 OK 11 57 - 19 - 4.9/6354=6, 3.0/8571=3...(7) HG2 LYS 39 - H ALA 22 poor 9 73 - 12 - 1.8/6353=3, ~1003=1...(4) HG12 ILE 8 - H ALA 22 lone 9 100 - 8 - 3.1/8567=1 HG LEU 14 - H ALA 22 lone 8 90 - 9 - 12030/6341=3 HB3 ARG 30 - H ALA 22 lone 7 92 - 8 - 1.8/8571=2, ~8581=2...(4) HB2 LEU 70 - H ALA 22 lone 5 96 - 5 - 4.1/6354=2 HB2 LYS 82 - H ALA 22 lone 3 65 - 5 - ~10456=1 HG3 LYS 40 - H ALA 22 lone 3 100 - 3 - ~8577=1 Peak 8571 from nnoeabs.peaks (1.61, 8.81, 122.15 ppm; 4.84 A): 4 out of 10 assignments used, quality = 0.94: HB3 LEU 29 + H ALA 22 OK 71 81 - 88 - 3.1/8692=27, 3.1/8690=26...(18) HG LEU 27 + H ALA 22 OK 61 87 - 71 - 3.0/8570=14, 2.1/8567=13...(14) HD3 LYS 94 + H ALA 22 OK 26 87 - 30 - 6.3/6354=5, 8572/3.0=4...(10) HD2 LYS 94 + H ALA 22 OK 22 81 - 28 - 6.3/6354=5, 3.0/8570=4...(10) HB2 ARG 30 - H ALA 22 OK 15 97 - 16 - 1.8/8570=3, 8581/2.9=3...(7) HG3 LYS 12 - H ALA 22 OK 13 73 - 17 - 8581/2.9=3, 8572/3.0=2...(6) HD2 LYS 66 - H ALA 22 OK 12 94 - 12 - 8581/2.9=2, 6.1/6343=1...(5) HG3 LYS 73 - H ALA 22 OK 11 87 - 13 - 8565/3.6=3, 4.0/6349=2...(5) HG3 LYS 47 - H ALA 22 lone 6 87 - 7 - 3.9/10446=2, 8572/3.0=1 HB2 ARG 79 - H ALA 22 lone 6 92 - 6 - 8581/2.9=1, 8572/3.0=1 Peak 8591 from nnoeabs.peaks (7.86, 7.57, 119.96 ppm; 4.68 A): 4 out of 6 assignments used, quality = 0.72: H ASN 26 + H LYS 24 OK 45 77 - 59 - 4.6/6397=19, 8606=17...(10) H ASN 26 + H GLU 88 OK 26 74 - 35 - 4.6/6397=12, 8606=9...(5) H LYS 73 + H LYS 24 OK 21 81 - 27 - 6409/4.6=3, 7206/4.0=3...(12) H LEU 3 + H LYS 24 OK 11 90 - 12 - 6409/4.6=2, 3.0/8600=2...(4) H LYS 73 - H GLU 88 lone 7 78 - 9 - H LEU 3 - H GLU 88 lone 7 87 - 8 - 3.0/8600=2 Peak 8592 from nnoeabs.peaks (1.33, 7.57, 119.96 ppm; 3.76 A): 4 out of 20 assignments used, quality = 0.94: QB ALA 25 + H LYS 24 OK 59 99 - 60 - 2.9/6397=20, 8607=14...(9) QB ALA 89 + H GLU 88 OK 55 98 - 57 - 2.9/7400=16, 9933/3.9=11...(12) QB ALA 89 + H LYS 24 OK 45 99 - 45 - 10971/3.0=13...(10) QB ALA 25 + H GLU 88 OK 41 98 - 42 - 2.9/6397=12, 8607=8...(9) HG LEU 14 - H LYS 24 OK 20 77 - 26 - ~8412=4, 8407/3.0=4...(8) HG2 LYS 94 - H GLU 88 OK 14 98 - 14 - 12255/4.6=2, 12255/4.6=2...(7) HG2 LYS 94 - H LYS 24 OK 14 99 - 14 - 4208/4.6=2, 12252/4.6=2...(5) HG LEU 14 - H GLU 88 OK 14 74 - 18 - 8404/4.6=4, 2.1/8602=3 HB3 LEU 2 - H LYS 24 OK 12 100 - 12 - 4.6/8591=1, 67/8606=1 HB3 LEU 27 - H LYS 24 poor 10 94 - 10 - 6408/4.6=3, 1006/8590=2 HB3 LEU 2 - H GLU 88 lone 9 99 - 9 - HB3 LEU 27 - H GLU 88 lone 6 92 - 7 - 1006/8590=1 HG2 LYS 39 - H GLU 88 lone 6 89 - 7 - HG3 LYS 68 - H GLU 88 lone 6 78 - 7 - 2.9/8603=2 QB ALA 67 - H GLU 88 lone 5 99 - 5 - HB2 LYS 82 - H GLU 88 lone 5 93 - 5 - HB2 LYS 82 - H LYS 24 lone 4 96 - 4 - QB ALA 67 - H LYS 24 lone 4 100 - 4 - HG2 LYS 39 - H LYS 24 lone 4 92 - 4 - HG3 LYS 68 - H LYS 24 lone 3 81 - 4 - Peak 8593 from nnoeabs.peaks (0.76, 7.57, 119.96 ppm; 5.70 A): 5 out of 24 assignments used, quality = 0.94: QG2 ILE 93 + H GLU 88 OK 57 93 - 61 - 10027/3.0=19, ~4129=12...(16) QD1 ILE 93 + H GLU 88 OK 47 87 - 54 - 10025/3.0=15, ~10027=12...(16) QG2 ILE 93 + H LYS 24 OK 42 96 - 44 - 4145/4.6=8, 11002/6374=8...(14) HG13 ILE 93 + H GLU 88 OK 34 74 - 46 - ~10025=14, ~10027=12...(9) QD1 ILE 93 + H LYS 24 OK 30 90 - 34 - 4169/4.6=6, 11001/4.6=6...(11) QD1 LEU 27 - H LYS 24 OK 26 92 - 29 - 8613/4.6=8, 8641/8590=3...(10) QD1 ILE 15 - H LYS 24 OK 20 100 - 20 - 8437=3, 8613/4.6=2...(4) HG13 ILE 15 - H LYS 24 OK 19 99 - 19 - 2.1/8437=3, 8613/4.6=2...(5) QD1 ILE 15 - H GLU 88 OK 18 99 - 18 - 8437=4, 3.2/8440=3, 4.2/8441=2 HG13 ILE 15 - H GLU 88 OK 18 98 - 18 - 2.1/8437=3, 2.9/8440=3 QD2 LEU 42 - H GLU 88 OK 15 93 - 16 - 2.1/8602=5, 3.1/7393=2...(4) QD2 LEU 42 - H LYS 24 OK 15 96 - 15 - 2.1/8602=3, 10341/4.0=1...(4) QD1 LEU 27 - H GLU 88 OK 14 89 - 16 - 8641/8590=2, 8613/6397=2...(5) QD1 LEU 64 - H GLU 88 OK 13 67 - 19 - ~10245=5, 10762/9912=4...(6) QD1 LEU 64 - H LYS 24 OK 12 70 - 18 - 8613/4.6=5, 4.5/6391=4...(5) QG1 VAL 54 - H LYS 24 OK 12 100 - 12 - 10662/9919=2, 8613/4.6=1 HG13 ILE 93 - H LYS 24 OK 12 77 - 15 - 8613/4.6=3, 8566/956=2...(7) QG1 VAL 54 - H GLU 88 OK 11 98 - 11 - 10662/9919=3, 10662/9919=2 QD1 LEU 6 - H LYS 24 lone 8 87 - 9 - 2.1/8602=2 QD1 LEU 6 - H GLU 88 lone 7 84 - 8 - 2.1/8602=3 QG1 VAL 78 - H LYS 24 lone 5 84 - 6 - 8613/4.6=1 QG1 VAL 78 - H GLU 88 lone 4 81 - 5 - HG3 ARG 81 - H LYS 24 lone 2 61 - 3 - HG3 ARG 81 - H GLU 88 lone 2 59 - 3 - Peak 8598 from nnoeabs.peaks (3.67, 7.57, 119.96 ppm; 3.40 A): 3 out of 8 assignments used, quality = 0.99: HA GLU 88 + H GLU 88 OK 96 96 - 100 - 3.0=100 HA LYS 90 + H GLU 88 OK 56 98 - 57 - 3.0/8603=8, 3880/3.9=7...(18) HA GLU 88 + H LYS 24 OK 49 98 - 51 - 3862=13, 3.6/7400=8...(13) HA LYS 90 - H LYS 24 OK 26 99 - 26 - 3.0/7398=4, 3.0/8603=3...(10) HB THR 80 - H GLU 88 OK 14 78 - 18 - 2.1/9912=10, ~9918=4, 9904/3.6=1 HA LEU 14 - H LYS 24 OK 10 70 - 15 - 8422/3.0=4, ~8420=2...(5) HA LEU 14 - H GLU 88 poor 9 67 - 14 - 4.0/8602=2, 9903/4.5=2 HB THR 80 - H LYS 24 lone 5 81 - 6 - 2.1/9912=3 Peak 8599 from nnoeabs.peaks (3.90, 7.57, 119.96 ppm; 4.09 A): 4 out of 16 assignments used, quality = 0.96: HA ALA 89 + H GLU 88 OK 62 97 - 64 - 3.0/7400=18...(14) HA ARG 91 + H GLU 88 OK 59 93 - 63 - 9956/3.0=9, ~3869=9...(18) HB2 SER 85 + H GLU 88 OK 54 95 - 57 - 9845=13, 1.8/9847=12...(14) HA ALA 89 + H LYS 24 OK 44 99 - 45 - 3.0/7400=14, ~9923=8...(10) HB2 SER 85 - H LYS 24 OK 39 97 - 40 - 9845=9, 1.8/9847=8...(9) HA GLU 35 - H GLU 88 OK 18 92 - 20 - 9956/3.0=4, 10306/3.9=3...(7) HA ARG 91 - H LYS 24 OK 14 96 - 15 - 3.6/7388=2, 7406/7400=1...(4) HA GLU 43 - H GLU 88 lone 8 81 - 10 - 9956/3.0=2, 10306/3.9=2 HB2 SER 102 - H GLU 88 lone 8 99 - 8 - 4.0/7398=2 HB2 SER 102 - H LYS 24 lone 7 100 - 7 - 4460/4.6=2, 4.5/6376=1 HA3 GLY 101 - H GLU 88 lone 7 98 - 7 - 3.6/7398=2 HA3 GLY 101 - H LYS 24 lone 6 100 - 6 - 11029/4.6=1, 3.6/7398=1 HA GLU 35 - H LYS 24 lone 6 94 - 6 - 3.0/1026=1 HA GLU 63 - H LYS 24 lone 4 65 - 6 - 3.6/6391=3 HA GLU 63 - H GLU 88 lone 4 63 - 6 - 3.6/6391=2, 7406/4.6=1 HA GLU 43 - H LYS 24 lone 3 84 - 4 - Peak 8600 from nnoeabs.peaks (5.13, 7.57, 119.96 ppm; 5.31 A): 6 out of 10 assignments used, quality = 0.85: HA SER 85 + H GLU 88 OK 55 87 - 64 - 9898/4.5=20, 3.0/9845=17...(10) HA SER 85 + H LYS 24 OK 41 90 - 46 - 3.0/9845=12, 3.0/9847=11...(9) HA ILE 7 + H GLU 88 OK 17 96 - 17 - 9898/4.5=5, 8272/3.9=2 HA LEU 3 + H GLU 88 OK 14 98 - 14 - 9898/4.5=5, 3.0/8591=2 HA LEU 3 + H LYS 24 OK 12 100 - 12 - 3.0/8591=4, 92/8606=2 HA ILE 7 + H LYS 24 OK 11 98 - 11 - 3.6/6374=1 HA TYR 4 - H GLU 88 lone 3 63 - 5 - HA TYR 4 - H LYS 24 lone 3 65 - 4 - HA VAL 5 - H GLU 88 lone 2 59 - 3 - HA VAL 5 - H LYS 24 lone 1 61 - 2 - Peak 8602 from nnoeabs.peaks (0.69, 7.57, 119.96 ppm; 5.36 A): 10 out of 12 assignments used, quality = 0.92: QD1 LEU 14 + H LYS 24 OK 50 92 - 54 - 8411/3.0=9, ~8412=9...(17) QD1 LEU 14 + H GLU 88 OK 46 89 - 51 - 8402/4.6=17, 9900/4.5=12...(15) QD1 LEU 42 + H GLU 88 OK 24 99 - 24 - 9900/4.5=5, 9925/4.6=4...(7) QG2 VAL 58 + H GLU 88 OK 14 84 - 17 - 9900/4.5=4, 10221/9912=2 QD2 LEU 6 + H GLU 88 OK 14 99 - 14 - 9900/4.5=3, 9925/4.6=2 QD1 ILE 52 + H GLU 88 OK 14 95 - 14 - 9900/4.5=3, 9925/4.6=3 QD1 ILE 52 + H LYS 24 OK 14 97 - 14 - 9150/4.6=2, 9152/4.6=2 QD1 LEU 42 + H LYS 24 OK 14 100 - 13 - 10414/4.6=1, 2.1/8593=1 QG2 VAL 58 + H LYS 24 OK 13 87 - 14 - 9392/4.6=3, 4.2/6374=2 QD1 ILE 56 + H GLU 88 OK 10 55 - 18 - 5.0/9919=5, 9925/4.6=3...(5) QD2 LEU 6 - H LYS 24 lone 9 100 - 9 - QD1 ILE 56 - H LYS 24 lone 4 57 - 7 - 5.0/9919=2 Peak 8603 from nnoeabs.peaks (1.83, 7.57, 119.96 ppm; 3.60 A): 4 out of 12 assignments used, quality = 0.72: HB3 LYS 90 + H GLU 88 OK 49 98 - 50 - 9953/3.6=16, 3.0/7392=7...(12) HB2 LYS 90 + H GLU 88 OK 24 59 - 40 - 9908/3.6=8, 3.0/7392=7...(13) HB3 LYS 90 + H LYS 24 OK 19 100 - 20 - 4.1/7398=4, 3.0/7392=3...(7) HB2 LYS 90 + H LYS 24 OK 10 61 - 17 - 4.1/7398=4, 3.0/7392=3...(5) HB2 LYS 68 - H GLU 88 lone 9 95 - 10 - 9953/3.6=3, 10259/9912=2 HB3 LEU 57 - H GLU 88 lone 8 95 - 8 - 10215/3.9=1 HG2 ARG 46 - H GLU 88 lone 6 96 - 7 - HG2 ARG 46 - H LYS 24 lone 5 98 - 5 - HB3 LEU 57 - H LYS 24 lone 5 97 - 5 - HB2 LYS 68 - H LYS 24 lone 4 97 - 4 - HB2 LYS 53 - H GLU 88 lone 3 89 - 3 - HB2 LYS 53 - H LYS 24 lone 2 92 - 2 - Peak 8604 from nnoeabs.peaks (8.82, 7.71, 119.26 ppm; 5.04 A): 1 out of 3 assignments used, quality = 0.79: H ALA 22 + H ALA 25 OK 79 100 - 79 - 3.0/1005=35, 4.7/6370=23...(14) H SER 59 - H ALA 25 poor 8 57 - 14 - 4.2/9392=4, 6374/4.6=1 H ILE 8 - H ALA 25 lone 4 57 - 6 - Peak 8606 from nnoeabs.peaks (7.58, 7.84, 115.27 ppm; 4.17 A): 2 out of 3 assignments used, quality = 0.66: H LYS 24 + H ASN 26 OK 53 94 - 56 - 4.6/6411=19, 8607/3.6=15...(10) H GLU 88 + H ASN 26 OK 27 90 - 30 - 8607/3.6=9, 6397/4.6=8...(6) H GLU 44 - H ASN 26 lone 3 61 - 5 - 8607/3.6=2 Peak 8608 from nnoeabs.peaks (3.84, 7.84, 115.27 ppm; 5.05 A): 2 out of 5 assignments used, quality = 0.65: HA ALA 22 + H ASN 26 OK 51 84 - 61 - 1154/3.6=21, 1005/4.6=19...(12) HA ALA 71 + H ASN 26 OK 28 98 - 28 - 3.6/7178=9, 3.0/6419=4...(8) HA ALA 67 - H ASN 26 lone 8 81 - 10 - 10334/3.6=3, 2.1/6413=2, ~8627=1 HB3 SER 49 - H ASN 26 lone 7 70 - 10 - 10334/3.6=4, 3.9/6411=2 HA LYS 12 - H ASN 26 lone 7 77 - 9 - 3.7/8618=2, 3.7/8617=1 Peak 8609 from nnoeabs.peaks (4.13, 7.84, 115.27 ppm; 3.64 A): 4 out of 7 assignments used, quality = 0.60: HA GLU 23 + H ASN 26 OK 29 90 - 32 - 3.6/8606=13, 6396/4.6=6...(6) HA GLN 72 + H ASN 26 OK 20 61 - 33 - 3.0/7178=7, 3.0/3199=5...(9) HA LYS 47 + H ASN 26 OK 20 96 - 21 - 10478/3.0=5, 8637/4.6=3...(7) HA GLU 62 + H ASN 26 OK 12 81 - 14 - 10743/3.0=4, ~7002=2...(5) HA GLU 104 - H ASN 26 lone 4 94 - 5 - HA LYS 13 - H ASN 26 lone 4 61 - 6 - HA GLU 99 - H ASN 26 lone 2 87 - 2 - Peak 8612 from nnoeabs.peaks (2.10, 7.71, 119.26 ppm; 4.27 A): 7 out of 10 assignments used, quality = 0.95: HB2 GLU 23 + H ALA 25 OK 49 92 - 54 - 4.0/6370=19, 4.6/6397=15...(9) HB3 PRO 86 + H ALA 25 OK 44 96 - 46 - 2.3/6398=8, 8624/2.9=7...(12) QE MET 21 + H ALA 25 OK 40 100 - 41 - 8551/2.9=8, 994/3.0=6...(13) HB2 LEU 64 + H ALA 25 OK 39 73 - 53 - 1.8/2818=10, 3.0/2800=7...(15) HB3 GLU 88 + H ALA 25 OK 27 61 - 45 - 3.9/6397=12, 10299=7...(11) HB3 GLU 62 + H ALA 25 OK 20 96 - 21 - 3.0/10742=4, 4.0/7011=3...(6) HG3 GLU 37 + H ALA 25 OK 11 84 - 13 - 8624/2.9=2, 8827/3.0=2...(6) HG3 GLU 104 - H ALA 25 lone 9 100 - 9 - HB VAL 83 - H ALA 25 lone 7 73 - 10 - 8624/2.9=1 HB3 GLU 35 - H ALA 25 lone 4 73 - 5 - Peak 8613 from nnoeabs.peaks (0.76, 7.71, 119.26 ppm; 4.12 A): 7 out of 12 assignments used, quality = 0.92: QD1 LEU 27 + H ALA 25 OK 49 94 - 53 - 4.7/10489=12...(14) QG2 ILE 93 + H ALA 25 OK 40 94 - 43 - 8621/2.9=7, 11002/8604=6...(15) QD1 LEU 64 + H ALA 25 OK 33 65 - 51 - 2.1/2826=8, 3.1/2818=7...(15) QD1 ILE 93 + H ALA 25 OK 31 92 - 34 - 11004/8604=5...(15) HG13 ILE 93 + H ALA 25 OK 20 73 - 28 - 8621/2.9=5, 2.1/11001=3...(10) QD1 ILE 15 + H ALA 25 OK 15 100 - 15 - 8621/2.9=2, 8614/3.0=2...(5) HG13 ILE 15 + H ALA 25 OK 12 99 - 12 - 8621/2.9=2, 8614/3.0=1...(5) QD2 LEU 42 - H ALA 25 lone 8 97 - 8 - 8621/2.9=1 QG1 VAL 54 - H ALA 25 lone 7 100 - 7 - 8621/2.9=1 QG1 VAL 78 - H ALA 25 lone 7 81 - 9 - 10906/2834=1, 8621/2.9=1 QD1 LEU 6 - H ALA 25 lone 4 90 - 5 - QG2 ILE 52 - H ALA 25 lone 4 61 - 6 - 3.1/9150=2 Peak 8616 from nnoeabs.peaks (0.76, 7.84, 115.27 ppm; 4.61 A): 9 out of 12 assignments used, quality = 0.92: QD1 LEU 27 + H ASN 26 OK 63 94 - 68 - 4.7/6419=28, 2.1/8618=10...(14) QD1 LEU 64 + H ASN 26 OK 32 65 - 49 - 4.5/6411=7, ~9482=7...(11) QG2 ILE 93 + H ASN 26 OK 26 94 - 28 - 8621/3.6=7, 8613/4.6=4...(7) QD1 ILE 93 + H ASN 26 OK 21 92 - 24 - 10321/3.6=4, 11001/4.6=4...(5) QD1 ILE 15 + H ASN 26 OK 15 100 - 14 - 8621/3.6=2, 8614/3.6=2...(5) HG13 ILE 15 + H ASN 26 OK 13 99 - 13 - 8621/3.6=2, 8614/3.6=2...(5) HG13 ILE 93 + H ASN 26 OK 12 73 - 16 - 8621/3.6=5, 8614/3.6=3...(5) QG1 VAL 54 + H ASN 26 OK 11 100 - 11 - 6444/4.6=1, 8621/3.6=1 QD2 LEU 42 + H ASN 26 OK 10 97 - 11 - 6444/4.6=1, 8621/3.6=1 QG1 VAL 78 - H ASN 26 lone 7 81 - 8 - 8621/3.6=1 QD1 LEU 6 - H ASN 26 lone 5 90 - 6 - QG2 ILE 52 - H ASN 26 lone 5 61 - 7 - 6444/4.6=1, 3.2/8617=1 Peak 8617 from nnoeabs.peaks (1.46, 7.84, 115.27 ppm; 4.50 A): 5 out of 14 assignments used, quality = 0.86: HB2 LEU 27 + H ASN 26 OK 59 100 - 60 - 4.0/6419=31, 1.8/6413=9...(8) HD2 LYS 82 + H ASN 26 OK 37 100 - 37 - 3.0/6415=7, 9766/3.0=6...(8) HD2 LYS 40 + H ASN 26 OK 22 99 - 22 - 9766/3.0=3, 6440/4.6=2...(9) HD3 LYS 40 + H ASN 26 OK 22 98 - 22 - 9766/3.0=3, 6440/4.6=2...(9) HB2 LEU 38 + H ASN 26 OK 10 99 - 10 - 1.8/8620=2, 3.0/1623=1 HG LEU 38 - H ASN 26 lone 9 100 - 9 - 3.0/8620=1, 3.7/1623=1 HD2 LYS 53 - H ASN 26 lone 9 100 - 9 - 9192/124=2, 6440/4.6=1 HG3 ARG 91 - H ASN 26 lone 9 97 - 9 - 4.8/6418=2, 8626/3.0=1 HG2 LYS 12 - H ASN 26 lone 8 81 - 9 - 1.8/8618=3, 3.7/8608=2 HG13 ILE 52 - H ASN 26 lone 7 100 - 7 - 6440/4.6=1 HG2 LYS 53 - H ASN 26 lone 7 99 - 7 - 9191/124=1 HG3 LYS 39 - H ASN 26 poor 7 65 - 10 - 3.9/10559=2, 1.8/6413=2 HG3 LYS 53 - H ASN 26 lone 6 94 - 6 - 9191/124=1 HG2 LYS 20 - H ASN 26 lone 4 100 - 4 - Peak 8618 from nnoeabs.peaks (1.60, 7.84, 115.27 ppm; 4.62 A): 6 out of 13 assignments used, quality = 0.87: HG LEU 27 + H ASN 26 OK 56 100 - 56 - 5.0/6419=25, 2.1/8616=11...(9) HG3 LYS 73 + H ASN 26 OK 32 100 - 32 - 3271=7, 1.8/3260=4...(10) HG2 LYS 24 + H ASN 26 OK 29 77 - 38 - 5.1/8606=15, 1094/4.6=7...(5) HD3 LYS 94 + H ASN 26 OK 16 100 - 16 - 8622/3.6=4, 6442/4.6=2...(4) HB2 ARG 79 + H ASN 26 OK 16 100 - 16 - 6442/4.6=5, 3.8/6416=3...(4) HG3 LYS 12 + H ASN 26 OK 14 97 - 15 - 3271=3, 6442/4.6=2...(5) HB2 ARG 30 - H ASN 26 lone 9 100 - 9 - 10509=2, 6442/4.6=2 HB3 LEU 29 - H ASN 26 lone 7 99 - 7 - 6442/4.6=2, 8572/8608=1 HD2 LYS 66 - H ASN 26 lone 6 100 - 6 - 6442/4.6=1, 8622/3.6=1 HG3 LYS 90 - H ASN 26 lone 5 70 - 7 - 1094/4.6=1 HB2 LEU 103 - H ASN 26 lone 3 73 - 4 - HG2 ARG 19 - H ASN 26 lone 3 73 - 4 - HG LEU 103 - H ASN 26 lone 2 61 - 4 - Peak 8619 from nnoeabs.peaks (1.97, 7.84, 115.27 ppm; 4.70 A): 5 out of 10 assignments used, quality = 0.92: HB3 LYS 24 + H ASN 26 OK 55 97 - 57 - 4.4/6411=25, 4.0/8606=19...(7) HB2 LYS 24 + H ASN 26 OK 55 97 - 57 - 4.4/6411=25, 4.0/8606=19...(7) HB2 LYS 47 + H ASN 26 OK 29 100 - 29 - 3.0/8609=9, 4.0/6418=5...(8) HB2 LYS 73 + H ASN 26 OK 29 87 - 33 - 2.9/3271=6, 3.0/3227=5...(11) HB3 LYS 73 + H ASN 26 OK 27 84 - 33 - 2.9/3271=6, 3.0/3227=5...(11) HB3 MET 74 - H ASN 26 OK 20 97 - 20 - 4.0/7215=5, 3343/3.6=4...(6) QE MET 1 - H ASN 26 OK 13 97 - 13 - 8026/124=2, 8025/132=2...(4) HB2 ARG 46 - H ASN 26 OK 12 99 - 12 - 4.7/6418=5, 8615/3.6=1...(4) HB3 ARG 46 - H ASN 26 OK 11 92 - 12 - 4.7/6418=5, 4.5/6418=1...(4) HB2 GLU 37 - H ASN 26 lone 8 96 - 8 - 8823/3.6=3, 8623/3.6=2 Peak 8620 from nnoeabs.peaks (2.09, 7.84, 115.27 ppm; 5.33 A): 4 out of 9 assignments used, quality = 0.79: HB2 GLU 23 + H ASN 26 OK 46 100 - 47 - 4.6/8606=21, 3.0/8609=15...(7) HB3 GLU 88 + H ASN 26 OK 33 94 - 36 - 10299/4.6=13...(4) QE MET 21 + H ASN 26 OK 25 87 - 29 - 8551/3.6=7, 994/3.6=5...(8) HB3 GLU 62 + H ASN 26 OK 23 100 - 23 - ~10743=7, 3.0/8609=6...(5) HB3 PRO 86 - H ASN 26 poor 10 65 - 15 - 8624/3.6=7, 8612/4.6=5 HB3 LEU 38 - H ASN 26 poor 9 81 - 11 - 1.8/8617=2, 3.0/1623=2...(5) HG3 GLU 104 - H ASN 26 lone 7 90 - 8 - 4.1/8609=2, 8612/4.6=1 HB3 GLU 35 - H ASN 26 lone 5 98 - 5 - HB2 GLU 16 - H ASN 26 lone 5 90 - 5 - 695/8609=1 Peak 8632 from nnoeabs.peaks (1.34, 7.47, 112.34 ppm; 5.82 A): 6 out of 11 assignments used, quality = 0.83: QB ALA 25 + HD22 ASN 26 OK 37 100 - 37 - 6413/5.5=13, 8627/4.4=9...(4) HB2 LYS 82 + HD22 ASN 26 OK 35 100 - 35 - 9764/4.4=11, 3656/3.5=11...(6) HB3 LEU 27 + HD22 ASN 26 OK 29 100 - 29 - 8628/3.5=8, 8630/3.5=8...(4) HB3 LEU 2 + HD22 ASN 26 OK 22 94 - 23 - 67/5.5=7, 4.6/6427=5...(5) QB ALA 89 + HD22 ASN 26 OK 15 100 - 15 - 3.6/7425=3, 6413/5.5=2...(6) HG2 LYS 94 + HD22 ASN 26 OK 12 100 - 12 - 8630/3.5=2, 6413/5.5=2...(4) HG2 LYS 39 - HD22 ASN 26 lone 9 100 - 9 - 8628/3.5=2, 8627/4.4=2...(4) QB ALA 67 - HD22 ASN 26 lone 8 99 - 8 - 8627/4.4=2, 8628/3.5=1...(4) HG LEU 14 - HD22 ASN 26 lone 7 96 - 7 - 8627/4.4=1, 8628/3.5=1 HG3 LYS 68 - HD22 ASN 26 lone 7 97 - 7 - 8627/4.4=1, 8628/3.5=1 HG3 LYS 40 - HD22 ASN 26 lone 4 70 - 5 - 1827/5.5=2, 8628/3.5=1 Peak 8637 from nnoeabs.peaks (4.14, 8.24, 116.83 ppm; 3.79 A): 0 out of 7 assignments used, low quality = 0.39: HA GLU 23 - H LEU 27 OK 18 100 - 18 - 8609/4.6=5, 10478/3.6=5...(5) HA GLN 72 - H LEU 27 OK 16 92 - 18 - 3.6/10856=7, 10478/3.6=5...(4) HA LYS 47 - H LEU 27 OK 11 100 - 11 - 10478/3.6=5, 8609/4.6=4 HA LYS 13 - H LEU 27 lone 3 92 - 3 - HA GLU 104 - H LEU 27 lone 2 65 - 3 - HB2 SER 59 - H LEU 27 lone 2 81 - 2 - HA MET 1 - H LEU 27 lone 2 84 - 2 - Peak 8638 from nnoeabs.peaks (3.83, 8.24, 116.83 ppm; 3.87 A): 3 out of 4 assignments used, quality = 0.69: HA ALA 22 + H LEU 27 OK 50 100 - 50 - ~10455=9, 1006/4.0=9...(11) HA SER 97 + H LEU 27 OK 29 84 - 34 - 8641/4.7=9, 8636/4.0=8...(7) HA ALA 71 + H LEU 27 OK 14 73 - 19 - 8639/4.0=4, 8636/4.0=4...(6) HB3 SER 102 - H LEU 27 lone 2 61 - 3 - Peak 8649 from nnoeabs.peaks (6.45, 7.80, 121.34 ppm; 5.31 A): 4 out of 4 assignments used, quality = 0.93: HE2 TYR 4 + H GLU 28 OK 58 99 - 59 - 6.4/8655=14, 8653/4.0=8...(16) HE1 TYR 4 + H GLU 28 OK 58 97 - 60 - 6.3/8655=15, 8653/4.0=9...(16) HD1 TYR 4 + H GLU 28 OK 36 61 - 59 - 4.2/8655=23, 8653/4.0=9...(14) HD2 TYR 4 + H GLU 28 OK 36 61 - 59 - 4.3/8655=23, 8653/4.0=9...(14) Peak 8650 from nnoeabs.peaks (8.92, 7.80, 121.34 ppm; 5.08 A): 2 out of 2 assignments used, quality = 0.81: H VAL 5 + H GLU 28 OK 76 100 - 76 - 3.6/8655=24...(10) H LEU 57 + H GLU 28 OK 21 96 - 22 - 10490/4.0=7, 10685/4.5=6...(5) Peak 8655 from nnoeabs.peaks (5.16, 7.80, 121.34 ppm; 4.18 A): 2 out of 2 assignments used, quality = 0.48: HA TYR 4 + H GLU 28 OK 35 65 - 54 - 3.6/8650=16, 8656/4.0=12...(12) HA VAL 54 + H GLU 28 OK 19 100 - 19 - 8656/4.0=5, 8657/4.0=5...(7) Peak 8663 from nnoeabs.peaks (0.77, 8.45, 126.55 ppm; 5.30 A): 4 out of 9 assignments used, quality = 0.93: QD1 LEU 6 + H LEU 29 OK 61 99 - 62 - 232=12, 2.1/224=12...(11) QG1 VAL 54 + H LEU 29 OK 49 99 - 49 - 2502/4.8=8, 2.1/6472=7...(16) QD1 LEU 27 + H LEU 29 OK 40 100 - 40 - 1227/4.5=12, 10134/4.0=6...(9) QD1 ILE 15 + H LEU 29 OK 40 98 - 40 - 8469/4.8=12, 8436/4.5=7...(9) QD1 ILE 93 - H LEU 29 OK 22 99 - 22 - 10327/8586=5, 6453/4.5=4...(7) HG13 ILE 15 - H LEU 29 OK 18 90 - 20 - 2.9/6463=3, 8470/273=2...(7) QD2 LEU 42 - H LEU 29 OK 17 100 - 17 - 3.1/8665=4, 8713/4.6=3...(4) QG2 ILE 52 - H LEU 29 OK 14 84 - 16 - 6453/4.5=2, 2.1/2349=1...(5) QG2 ILE 93 - H LEU 29 OK 11 77 - 14 - 8579/8586=3, 6453/4.5=2...(7) Peak 8664 from nnoeabs.peaks (1.87, 8.45, 126.55 ppm; 5.57 A): 4 out of 10 assignments used, quality = 0.97: HB VAL 5 + H LEU 29 OK 84 90 - 94 - 8173/2.9=38, ~8175=30...(15) HB3 LYS 12 + H LEU 29 OK 42 98 - 43 - 8668/2.9=7, ~8668=6...(12) HB2 LYS 12 + H LEU 29 OK 41 96 - 43 - 8668/2.9=7, ~8668=6...(13) HB VAL 54 + H LEU 29 OK 36 84 - 43 - 2.1/8663=8, 2490/4.8=7...(10) HB3 LYS 68 - H LEU 29 OK 31 100 - 31 - 3009/3.6=5, 8670/4.0=5...(9) HB2 ARG 19 - H LEU 29 OK 27 57 - 47 - 3.9/8695=8, 8674/4.8=8...(12) HB3 LYS 39 - H LEU 29 OK 26 92 - 29 - 3.0/6470=4, 8668/2.9=4...(10) HB3 LYS 66 - H LEU 29 OK 23 90 - 25 - 4.0/6461=5, 2897/4.5=4...(8) HB2 LYS 20 - H LEU 29 OK 11 70 - 16 - 4.0/6461=6, 859/4.5=3...(4) HB3 GLU 104 - H LEU 29 lone 6 100 - 6 - Peak 8665 from nnoeabs.peaks (1.29, 8.45, 126.55 ppm; 5.86 A): 4 out of 4 assignments used, quality = 0.85: HG2 ARG 30 + H LEU 29 OK 56 100 - 56 - 4.9/6475=20, 10511/5.0=7...(11) HG LEU 3 + H LEU 29 OK 45 100 - 46 - 3.0/6468=10, 3.0/6464=9...(9) HG2 LYS 90 + H LEU 29 OK 24 94 - 26 - 6485/4.6=6, 2.9/6463=5...(7) HB3 LEU 42 + H LEU 29 OK 20 97 - 21 - 6485/4.6=7, 3.1/8663=2...(5) Peak 8695 from nnoeabs.peaks (8.91, 8.45, 126.55 ppm; 5.59 A): 2 out of 3 assignments used, quality = 0.96: H VAL 5 + H LEU 29 OK 93 99 - 93 - 8172/2.9=48, 8162/4.6=28...(25) H ARG 19 + H LEU 29 OK 48 81 - 59 - 8693/4.8=18, 8691/4.8=15...(13) H LEU 57 - H LEU 29 OK 33 77 - 42 - 10685=9, 8650/4.5=6...(15) Peak 8698 from nnoeabs.peaks (5.47, 9.09, 125.04 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.80: HA LEU 6 + H ARG 30 OK 80 100 - 80 - 8200=31, 3.6/8238=17...(15) Peak 8713 from nnoeabs.peaks (0.76, 9.09, 125.04 ppm; 4.07 A): 6 out of 11 assignments used, quality = 0.88: QD1 LEU 6 + H ARG 30 OK 54 94 - 58 - 2.1/10232=26...(8) QG1 VAL 54 + H ARG 30 OK 40 100 - 40 - 2.1/6481=6, 2502/4.6=5...(17) QD1 LEU 27 + H ARG 30 OK 23 97 - 24 - 10134/4.3=3, 10138/6.2=3...(9) QD1 ILE 15 + H ARG 30 OK 23 100 - 23 - 8469/4.6=8, 8467/4.3=4...(5) QD2 LEU 42 + H ARG 30 OK 18 99 - 18 - 3.1/6485=5, 1946/4.9=4...(5) HG13 ILE 15 + H ARG 30 OK 11 97 - 11 - 8470/10380=2...(3) QD1 ILE 93 - H ARG 30 poor 10 96 - 10 - 11005/8162=2...(4) QG1 VAL 78 - H ARG 30 poor 9 73 - 12 - 4.3/6489=5, 2.1/8166=2 QG2 ILE 93 - H ARG 30 lone 9 90 - 10 - 10322/8714=3 QG2 ILE 52 - H ARG 30 lone 7 70 - 10 - 4.3/6475=2, 191/8698=2...(4) HG13 ILE 93 - H ARG 30 lone 3 65 - 5 - Peak 8714 from nnoeabs.peaks (0.94, 9.09, 125.04 ppm; 4.94 A): 2 out of 3 assignments used, quality = 0.87: QG2 VAL 5 + H ARG 30 OK 82 100 - 83 - 8175/3.6=33, 2.1/8165=31...(8) HB2 ARG 81 + H ARG 30 OK 25 87 - 29 - 8666/3.6=9, 10498/4.3=6...(8) QG2 VAL 83 - H ARG 30 poor 7 61 - 12 - 2.1/3754=2, 3.2/3736=2...(5) Peak 8715 from nnoeabs.peaks (1.87, 9.09, 125.04 ppm; 4.26 A): 7 out of 8 assignments used, quality = 0.93: HB VAL 5 + H ARG 30 OK 77 96 - 81 - 8173/3.6=28, 8165=24...(11) HB2 LYS 12 + H ARG 30 OK 23 99 - 23 - 8668/3.6=5, 8670/4.3=3...(8) HB3 LYS 12 + H ARG 30 OK 22 100 - 22 - 8668/3.6=4, 8670/4.3=3...(7) HB VAL 54 + H ARG 30 OK 22 73 - 29 - 2.1/8713=7, 2.1/6481=6...(8) HB3 LYS 39 + H ARG 30 OK 17 97 - 17 - 3.0/6479=4, 8668/3.6=3...(7) HB3 LYS 68 + H ARG 30 OK 16 100 - 16 - 8668/3.6=3, 8670/4.3=3...(5) HB3 LYS 66 + H ARG 30 OK 13 96 - 14 - 8668/3.6=2, 2903/4.3=1...(4) HB3 GLU 104 - H ARG 30 lone 3 100 - 3 - Peak 8736 from nnoeabs.peaks (0.81, 8.50, 114.75 ppm; 4.30 A): 6 out of 10 assignments used, quality = 0.84: QG2 ILE 7 + H THR 31 OK 53 94 - 57 - 8255/3.0=20, 8264/3.9=16...(8) QG2 ILE 15 + H THR 31 OK 29 100 - 30 - 10123/4.0=20, 8724/3.9=5...(4) QD2 LEU 2 + H THR 31 OK 26 100 - 26 - 2.1/68=4, 76=4, 2.1/84=3...(10) QD1 ILE 76 + H THR 31 OK 16 97 - 16 - 10888=3, 3.2/9628=2...(6) QD2 LEU 70 + H THR 31 OK 13 100 - 13 - 3.1/6494=4, 8719/4.7=3 QD1 LEU 70 + H THR 31 OK 11 96 - 12 - 3.1/6494=4, 8716/4.7=3 QD2 LEU 57 - H THR 31 lone 8 87 - 9 - 8719/4.7=1, 8724/3.9=1 QD2 LEU 103 - H THR 31 lone 3 61 - 5 - 8716/4.7=1 QD1 LEU 57 - H THR 31 lone 3 57 - 5 - QD2 LEU 38 - H THR 31 lone 2 77 - 3 - Peak 8737 from nnoeabs.peaks (0.68, 8.50, 114.75 ppm; 4.00 A): 4 out of 5 assignments used, quality = 0.57: QD2 LEU 6 + H THR 31 OK 34 90 - 38 - 10232/4.6=12, 8718/4.7=8...(9) QD1 LEU 42 + H THR 31 OK 15 84 - 18 - 8718/4.7=6, 3.1/6495=4...(5) QD1 LEU 14 + H THR 31 OK 14 100 - 14 - 8718/4.7=3, 8717/4.7=2...(4) QG2 VAL 58 + H THR 31 OK 11 100 - 10 - 10222/4.0=3, 8718/4.7=1 QD1 ILE 52 - H THR 31 lone 6 61 - 9 - 4.1/11126=1, 8718/4.7=1 Peak 8740 from nnoeabs.peaks (6.87, 8.50, 114.75 ppm; 5.77 A): 0 out of 5 assignments used, low quality = 0.20: HE1 TYR 41 - H THR 31 OK 11 81 - 14 - 8697/4.7=5, 8703/6495=2 HE2 TYR 41 - H THR 31 OK 10 73 - 14 - 8697/4.7=5, 8703/6495=2 HD1 TRP 92 - H THR 31 lone 7 100 - 7 - 3.9/6498=1 HE21 GLN 72 - H THR 31 lone 3 70 - 5 - 8697/4.7=2 HD21 ASN 60 - H THR 31 lone 3 100 - 3 - Peak 8743 from nnoeabs.peaks (6.86, 9.30, 123.65 ppm; 5.69 A): 3 out of 5 assignments used, quality = 0.80: HE1 TYR 41 + H LYS 33 OK 53 99 - 54 - 14629/4.1=16...(8) HE2 TYR 41 + H LYS 33 OK 52 98 - 53 - 14629/4.1=15...(8) HD1 TRP 92 + H LYS 33 OK 11 90 - 12 - 6.6/6528=6, 9342/6518=1 HE21 GLN 72 - H LYS 33 lone 5 97 - 5 - HD21 ASN 60 - H LYS 33 lone 4 84 - 5 - 4.5/10164=1 Peak 8744 from nnoeabs.peaks (7.76, 9.30, 123.65 ppm; 5.88 A): 3 out of 3 assignments used, quality = 0.73: H GLU 37 + H LYS 33 OK 58 73 - 80 - 8831/4.1=19...(13) H MET 74 + H LYS 33 OK 22 90 - 24 - 8770/4.6=4, 7225/3.6=4...(11) H VAL 78 + H LYS 33 OK 17 100 - 17 - 4.0/178=3, 7281/4.6=2...(6) Peak 8745 from nnoeabs.peaks (1.16, 9.30, 123.65 ppm; 4.46 A): 5 out of 5 assignments used, quality = 0.93: QG2 THR 34 + H LYS 33 OK 77 92 - 84 - 4.0/6528=28, 8768=22...(16) HB2 LEU 6 + H LYS 33 OK 48 77 - 63 - 10337/4.1=14, 1.8/201=11...(14) HG2 LYS 40 + H LYS 33 OK 22 97 - 23 - 8943/4.1=10, 10337/4.1=6...(5) HB2 LEU 29 + H LYS 33 OK 15 99 - 15 - 8943/4.1=3, 10522/4.9=2...(5) HB3 LEU 3 + H LYS 33 OK 10 77 - 13 - 1.8/6522=3, 10522/4.9=2...(5) Peak 8747 from nnoeabs.peaks (2.11, 9.30, 123.65 ppm; 3.94 A): 4 out of 11 assignments used, quality = 0.81: HG3 GLU 37 + H LYS 33 OK 63 100 - 63 - 8849/4.1=15, 8814/4.6=12...(13) HB3 GLU 37 + H LYS 33 OK 36 70 - 52 - 3.0/8748=10, 1.8/8819=9...(10) HB VAL 83 + H LYS 33 OK 11 99 - 11 - 3.0/10164=4...(4) QE MET 21 + H LYS 33 OK 10 92 - 11 - 10144/3.6=3, 10156/4.1=2...(4) HB3 PRO 86 - H LYS 33 lone 6 99 - 6 - 10155/4.1=1, 10156/4.1=1 HB2 LEU 64 - H LYS 33 lone 5 99 - 5 - HB2 PRO 86 - H LYS 33 lone 4 90 - 4 - 10958/4.9=1 HG3 GLU 104 - H LYS 33 lone 3 90 - 4 - HG2 GLU 69 - H LYS 33 lone 1 65 - 1 - HB2 GLU 69 - H LYS 33 lone 1 65 - 1 - HB3 GLU 69 - H LYS 33 lone 1 65 - 1 - Peak 8748 from nnoeabs.peaks (2.27, 9.30, 123.65 ppm; 5.00 A): 4 out of 5 assignments used, quality = 0.86: HG2 GLU 37 + H LYS 33 OK 69 94 - 73 - 1.8/8747=22...(11) HG3 GLU 62 + H LYS 33 OK 27 99 - 27 - 10157/4.1=6, 8754/4.6=5...(12) HG2 GLU 62 + H LYS 33 OK 27 99 - 27 - 10157/4.1=6, 8754/4.6=5...(12) HG2 GLU 95 + H LYS 33 OK 15 99 - 15 - 8754/4.6=5...(4) HG2 GLU 23 - H LYS 33 lone 7 100 - 6 - 10157/4.1=2, 8754/4.6=1 Peak 8749 from nnoeabs.peaks (0.91, 7.25, 106.30 ppm; 3.19 A): 1 out of 2 assignments used, quality = 0.68: QG1 VAL 32 + H THR 34 OK 68 100 - 68 - 8938=29, 4.1/6528=14...(13) HG13 ILE 7 - H THR 34 poor 10 73 - 13 - 6517/4.6=2, 10519/3.6=2...(5) Peak 8750 from nnoeabs.peaks (0.82, 7.25, 106.30 ppm; 4.20 A): 3 out of 10 assignments used, quality = 0.72: QG2 VAL 32 + H THR 34 OK 58 81 - 73 - 2.1/8749=40, 4.1/6528=24...(11) QD2 LEU 38 + H THR 34 OK 25 99 - 25 - 4.5/8769=15, 8775/4.6=2...(7) QD1 LEU 57 + H THR 34 OK 11 92 - 12 - 2.1/6535=2, 6518/4.6=2...(5) QD1 LEU 70 - H THR 34 lone 9 100 - 9 - 3.1/6537=1, 8840/8753=1 QG2 ILE 7 - H THR 34 poor 7 61 - 12 - 3.2/8749=5, 2.1/6535=2 QD1 ILE 76 - H THR 34 lone 7 70 - 10 - 4.2/8764=3, 4.7/8769=1 QD2 LEU 103 - H THR 34 lone 7 94 - 7 - 1405/8749=1, 6518/4.6=1 QD2 LEU 70 - H THR 34 lone 6 92 - 7 - 3.1/6536=1, 8840/8753=1 QG2 ILE 15 - H THR 34 lone 5 96 - 6 - 2.1/6537=2 QD2 LEU 2 - H THR 34 lone 4 94 - 5 - Peak 8751 from nnoeabs.peaks (0.73, 7.25, 106.30 ppm; 5.03 A): 4 out of 12 assignments used, quality = 0.53: QG1 VAL 5 + H THR 34 OK 24 100 - 24 - 4.1/6530=10, 178/4.6=6...(5) HG13 ILE 56 + H THR 34 OK 24 87 - 27 - 9313/4.6=7, 1.8/6534=5...(9) QG2 VAL 78 + H THR 34 OK 11 99 - 11 - 4.0/8770=3, 178/4.6=3 QD1 ILE 56 + H THR 34 OK 10 61 - 17 - 2.1/6534=5, 5.0/6543=5...(4) QD2 LEU 14 - H THR 34 poor 9 65 - 14 - 4.8/8769=4, 3.1/6535=2 QD1 ILE 8 - H THR 34 lone 6 70 - 9 - 4.1/6541=2, 9314/4.6=2 QG1 VAL 78 - H THR 34 lone 6 61 - 9 - 10903/3.6=5, 4.0/8770=3 QG1 VAL 58 - H THR 34 lone 5 98 - 5 - HG3 ARG 81 - H THR 34 lone 4 84 - 4 - 3.0/6537=1 QD2 LEU 27 - H THR 34 lone 3 100 - 3 - QD1 LEU 64 - H THR 34 lone 2 77 - 3 - HG13 ILE 93 - H THR 34 lone 1 70 - 2 - Peak 8752 from nnoeabs.peaks (1.99, 7.25, 106.30 ppm; 3.37 A): 1 out of 9 assignments used, quality = 0.65: HB2 GLU 37 + H THR 34 OK 65 94 - 70 - 1.8/8753=28, 8808=18...(10) QE MET 74 - H THR 34 lone 4 77 - 6 - 6.0/8770=2, 10870/8762=1 HB2 LYS 47 - H THR 34 lone 3 65 - 4 - 1.8/6532=1 HB2 ARG 46 - H THR 34 lone 3 87 - 3 - QE MET 1 - H THR 34 lone 2 92 - 2 - HB3 GLU 44 - H THR 34 lone 1 81 - 2 - HB2 GLU 44 - H THR 34 lone 1 81 - 2 - HB3 MET 1 - H THR 34 lone 1 73 - 1 - HB3 GLU 17 - H THR 34 lone 0 57 - 1 - Peak 8753 from nnoeabs.peaks (2.13, 7.25, 106.30 ppm; 3.41 A): 1 out of 10 assignments used, quality = 0.68: HB3 GLU 37 + H THR 34 OK 68 94 - 72 - 1.8/8752=29, 8810=20...(11) HG2 GLU 88 - H THR 34 lone 6 97 - 6 - 9921/4.6=2 HB2 GLU 75 - H THR 34 lone 2 100 - 2 - 4.1/8769=1 HG2 GLU 44 - H THR 34 lone 2 100 - 2 - HB2 PRO 86 - H THR 34 lone 2 77 - 2 - HB3 GLU 23 - H THR 34 lone 1 61 - 2 - HG2 GLU 69 - H THR 34 lone 1 96 - 1 - HB2 GLU 69 - H THR 34 lone 1 96 - 1 - HB3 GLU 69 - H THR 34 lone 1 96 - 1 - HG2 GLU 104 - H THR 34 lone 0 84 - 1 - Peak 8754 from nnoeabs.peaks (2.27, 7.25, 106.30 ppm; 4.13 A): 4 out of 5 assignments used, quality = 0.92: HG2 GLU 37 + H THR 34 OK 77 94 - 82 - 3.0/8752=30, 3.0/8753=30...(11) HG2 GLU 95 + H THR 34 OK 30 99 - 30 - ~10037=13, 10036/3.0=11...(4) HG3 GLU 62 + H THR 34 OK 29 99 - 29 - 10036/3.0=4, 1.8/8812=4...(13) HG2 GLU 62 + H THR 34 OK 29 99 - 29 - 10036/3.0=4, 1.8/8812=4...(13) HG2 GLU 23 - H THR 34 lone 7 100 - 6 - 10036/3.0=1 Peak 8762 from nnoeabs.peaks (3.72, 7.25, 106.30 ppm; 5.33 A): 2 out of 3 assignments used, quality = 0.89: HA GLU 37 + H THR 34 OK 85 92 - 93 - 3.0/8753=39, 3.0/8752=39...(9) HA LEU 42 + H THR 34 OK 28 81 - 35 - 10601/3.6=15...(8) HA3 GLY 100 - H THR 34 lone 10 100 - 10 - 1595/8753=2, 1588/8752=1...(6) Peak 8763 from nnoeabs.peaks (3.91, 7.25, 106.30 ppm; 5.31 A): 0 out of 7 assignments used, low quality = 0.00: HB3 SER 9 - H THR 34 lone 6 65 - 9 - 3.0/8764=5 HA ALA 89 - H THR 34 lone 4 97 - 4 - HA GLU 63 - H THR 34 lone 3 98 - 3 - HA3 GLY 101 - H THR 34 lone 3 77 - 4 - HB2 SER 85 - H THR 34 lone 2 99 - 2 - HA TYR 41 - H THR 34 lone 2 61 - 3 - HB2 SER 102 - H THR 34 lone 1 81 - 2 - Peak 8764 from nnoeabs.peaks (4.43, 7.25, 106.30 ppm; 3.66 A): 0 out of 7 assignments used, low quality = 0.41: HA VAL 32 - H THR 34 OK 41 70 - 59 - 3.2/8749=26, 3.6/6528=22...(8) HA SER 9 - H THR 34 lone 7 100 - 7 - 3.0/8763=4 HA ILE 76 - H THR 34 lone 7 100 - 7 - 3.0/8769=1 HA GLU 48 - H THR 34 lone 3 100 - 3 - HA ALA 25 - H THR 34 lone 3 77 - 4 - HA MET 21 - H THR 34 lone 2 70 - 4 - HB THR 84 - H THR 34 lone 1 87 - 2 - Peak 8769 from nnoeabs.peaks (7.54, 7.25, 106.30 ppm; 4.76 A): 2 out of 3 assignments used, quality = 0.82: H LEU 38 + H THR 34 OK 78 92 - 85 - 8858=26, 4.6/8752=25...(13) H LEU 14 + H THR 34 OK 16 90 - 18 - 8937/8749=2, 4.8/8751=2...(8) H ILE 76 - H THR 34 poor 8 61 - 13 - 3.0/8764=4, 4.7/8750=1...(4) Peak 8770 from nnoeabs.peaks (7.74, 7.25, 106.30 ppm; 4.14 A): 3 out of 5 assignments used, quality = 0.92: H GLU 37 + H THR 34 OK 88 100 - 88 - 8805=33, 4.1/8752=23...(13) H MET 74 + H THR 34 OK 25 100 - 25 - 8766/4.0=4, 10525/4.0=3...(9) H VAL 78 + H THR 34 OK 10 90 - 12 - 4.0/8751=2, 8744/4.6=1...(5) H ASN 60 - H THR 34 lone 7 84 - 8 - 8766/4.0=1, 10525/4.0=1 H SER 49 - H THR 34 lone 4 65 - 6 - 3.6/8764=2 Peak 8771 from nnoeabs.peaks (7.76, 9.17, 121.92 ppm; 5.53 A): 3 out of 3 assignments used, quality = 0.76: H GLU 37 + H GLU 35 OK 61 73 - 83 - 4.6/6556=36, 8803=24...(10) H MET 74 + H GLU 35 OK 32 90 - 36 - 4.8/8777=5, 7230/4.0=5...(12) H VAL 78 + H GLU 35 OK 10 100 - 10 - 8770/4.6=2, 4.6/9697=1...(5) Peak 8772 from nnoeabs.peaks (7.55, 8.19, 118.33 ppm; 4.30 A): 0 out of 3 assignments used, low quality = 0.15: H ILE 76 - H ASP 36 OK 15 97 - 15 - 9643/4.6=4, 4.7/10538=2...(7) H GLU 88 - H ASP 36 poor 9 65 - 13 - 3.9/8779=3, 3.9/6559=2...(7) H LEU 14 - H ASP 36 lone 6 100 - 6 - Peak 8773 from nnoeabs.peaks (7.27, 8.19, 118.33 ppm; 4.95 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8775 from nnoeabs.peaks (0.83, 9.17, 121.92 ppm; 5.39 A): 3 out of 4 assignments used, quality = 0.76: QD2 LEU 38 + H GLU 35 OK 44 84 - 53 - 4.5/10554=15, 3.1/6551=7...(17) QG2 VAL 32 + H GLU 35 OK 43 99 - 43 - 10163/4.4=13...(9) QD1 LEU 57 + H GLU 35 OK 25 96 - 26 - 10698/3.0=7, 2.1/8776=5...(8) QD2 LEU 103 - H GLU 35 lone 8 94 - 8 - 10167/3.0=1, ~10168=1 Peak 8776 from nnoeabs.peaks (1.49, 9.17, 121.92 ppm; 5.83 A): 5 out of 10 assignments used, quality = 0.79: HB2 ARG 91 + H GLU 35 OK 41 100 - 41 - 4026/3.0=7, 3.0/1527=6...(13) HG2 LYS 66 + H GLU 35 OK 27 100 - 27 - 12156/4.0=5, ~9509=4...(8) HG3 LYS 66 + H GLU 35 OK 27 99 - 27 - 12156/4.0=5, ~9509=4...(8) HG LEU 57 + H GLU 35 OK 24 84 - 28 - 2.1/8775=9, ~10698=6...(8) HG2 LYS 47 + H GLU 35 OK 13 100 - 13 - ~4184=1, 12158/4.0=1 HG3 LYS 33 - H GLU 35 poor 9 73 - 12 - 6535/4.6=9 HG2 LYS 73 - H GLU 35 lone 8 99 - 8 - 3270/8803=1, 3270/8771=1 HG3 LYS 13 - H GLU 35 lone 6 94 - 7 - 6535/4.6=2 HB3 LEU 64 - H GLU 35 lone 4 100 - 4 - HG LEU 64 - H GLU 35 lone 4 96 - 4 - Peak 8777 from nnoeabs.peaks (2.52, 9.17, 121.92 ppm; 5.79 A): 5 out of 7 assignments used, quality = 0.92: HB3 ASP 36 + H GLU 35 OK 49 65 - 76 - 3.6/6556=43, 4.0/8803=30...(8) HB2 ASP 36 + H GLU 35 OK 46 61 - 75 - 3.6/6556=43, 4.0/8803=30...(8) HG3 GLU 95 + H GLU 35 OK 45 100 - 45 - 10037/3.6=32...(5) HG2 MET 74 + H GLU 35 OK 39 100 - 39 - 4.8/8771=9, 3.4/6550=6...(13) HG3 GLU 63 + H GLU 35 OK 10 94 - 11 - 2795/4.9=2, 2795/4.9=2 HG3 GLN 72 - H GLU 35 lone 4 84 - 4 - 7228/8771=1 HB2 ASP 61 - H GLU 35 lone 3 77 - 4 - Peak 8778 from nnoeabs.peaks (1.87, 8.19, 118.33 ppm; 4.84 A): 4 out of 10 assignments used, quality = 0.89: HB3 LYS 39 + H ASP 36 OK 65 87 - 75 - ~10560=25, ~10537=17...(13) HB3 LYS 68 + H ASP 36 OK 58 100 - 58 - 2.9/3021=11, 1.8/2998=9...(16) HB3 LYS 66 + H ASP 36 OK 16 84 - 19 - 4.0/7078=6, 4.7/7096=4 HB3 GLU 104 + H ASP 36 OK 11 99 - 11 - 1.8/8779=2, ~10537=2, ~10535=2 HB3 LYS 12 - H ASP 36 lone 8 96 - 9 - HB2 LYS 20 - H ASP 36 poor 8 77 - 10 - 3.0/8781=2, 3.0/8780=1...(4) HB2 LYS 12 - H ASP 36 lone 8 92 - 8 - HB VAL 54 - H ASP 36 lone 6 90 - 7 - 11105/4.6=2 HB VAL 5 - H ASP 36 lone 3 84 - 3 - HB2 ARG 19 - H ASP 36 lone 2 65 - 3 - Peak 8779 from nnoeabs.peaks (1.80, 8.19, 118.33 ppm; 5.43 A): 3 out of 7 assignments used, quality = 0.95: HB2 LYS 39 + H ASP 36 OK 82 98 - 84 - 10560/3.0=38, ~10565=20...(16) HB2 LEU 42 + H ASP 36 OK 61 100 - 61 - 1917=11, 10537/3.0=10...(15) HB2 GLU 88 + H ASP 36 OK 30 99 - 30 - 3.9/8772=11, 9920/4.6=5...(6) HB2 GLU 104 - H ASP 36 OK 17 99 - 16 - 10537/3.0=3, 1.8/8778=3 HB2 LYS 90 - H ASP 36 OK 15 96 - 15 - 10308/4.7=3, 10537/3.0=2 HB ILE 93 - H ASP 36 OK 11 100 - 11 - 10537/3.0=2 HG3 ARG 46 - H ASP 36 poor 7 70 - 10 - 12087/3.6=1, 10537/3.0=1...(4) Peak 8780 from nnoeabs.peaks (1.67, 8.19, 118.33 ppm; 5.12 A): 3 out of 16 assignments used, quality = 0.93: HD2 LYS 39 + H ASP 36 OK 71 87 - 82 - ~10563=24, ~10565=18...(17) HD2 LYS 68 + H ASP 36 OK 53 81 - 66 - 3.0/3021=12, 3.5/8778=10...(18) HD3 LYS 68 + H ASP 36 OK 50 77 - 65 - 3.0/3021=12, 3.5/8778=10...(18) HB3 LYS 40 - H ASP 36 OK 25 70 - 36 - 3.0/1779=11, 4.3/6660=6...(8) HB3 ARG 79 - H ASP 36 OK 16 87 - 18 - 9699/4.6=15 HB3 ARG 91 - H ASP 36 OK 14 73 - 19 - 3.0/6557=3, 12058/4.7=3...(6) HG3 LYS 20 - H ASP 36 OK 14 96 - 14 - 1.8/8781=2, 3.0/8778=2...(4) HD3 LYS 20 - H ASP 36 OK 12 96 - 13 - 2.8/8781=2, 3.5/8778=1 HD2 LYS 20 - H ASP 36 OK 12 90 - 13 - 2.8/8781=2, 3.5/8778=1 HB ILE 52 - H ASP 36 OK 10 99 - 11 - 3.0/8781=1 HB3 LEU 6 - H ASP 36 poor 9 65 - 14 - 1.8/8782=8, 203/8782=1 HD2 LYS 73 - H ASP 36 lone 9 100 - 9 - 3292/4.6=3 HD3 LYS 73 - H ASP 36 lone 9 100 - 9 - 3303/4.6=3 HD2 LYS 47 - H ASP 36 lone 5 81 - 7 - HD3 LYS 47 - H ASP 36 lone 5 77 - 6 - HB3 LYS 53 - H ASP 36 lone 4 61 - 7 - Peak 8781 from nnoeabs.peaks (1.47, 8.19, 118.33 ppm; 4.98 A): 6 out of 14 assignments used, quality = 0.87: HB2 LEU 38 + H ASP 36 OK 46 87 - 53 - 4.6/10556=9, 3.0/6557=8...(13) HG LEU 38 + H ASP 36 OK 42 96 - 44 - 2.1/10538=9, 3.7/6557=7...(13) HD3 LYS 40 + H ASP 36 OK 26 100 - 27 - 5.2/1779=7, 8829/4.6=6...(9) HD2 LYS 40 + H ASP 36 OK 26 100 - 27 - 5.2/1779=7, 8829/4.6=6...(9) HG2 LYS 20 + H ASP 36 OK 13 92 - 14 - 1.8/8780=2, 3.0/8778=2...(5) HG3 ARG 91 + H ASP 36 OK 12 77 - 16 - 4.0/6557=3, 10462/4.7=2...(5) HG LEU 64 - H ASP 36 poor 9 84 - 11 - 4.3/10249=4, ~10535=2 HB2 ARG 91 - H ASP 36 poor 9 61 - 15 - 3.0/6557=3, 4026/3.6=2...(5) HG13 ILE 52 - H ASP 36 lone 9 92 - 10 - 3.0/8780=1 HG2 LYS 53 - H ASP 36 lone 6 99 - 6 - HD2 LYS 82 - H ASP 36 lone 6 96 - 6 - HG3 LYS 53 - H ASP 36 lone 6 100 - 6 - HD2 LYS 53 - H ASP 36 lone 6 96 - 6 - HB2 LEU 27 - H ASP 36 lone 5 92 - 5 - Peak 8782 from nnoeabs.peaks (1.18, 8.19, 118.33 ppm; 3.98 A): 2 out of 3 assignments used, quality = 0.71: QG2 THR 34 + H ASP 36 OK 67 96 - 70 - 2.1/8794=30, 8767=23...(8) HB2 LEU 6 + H ASP 36 OK 14 100 - 14 - 8830/4.6=5, 6548/4.6=3 HB2 LEU 57 - H ASP 36 lone 3 84 - 4 - 3.1/10538=1 Peak 8794 from nnoeabs.peaks (4.61, 8.19, 118.33 ppm; 3.23 A): 2 out of 4 assignments used, quality = 0.51: HB THR 34 + H ASP 36 OK 44 84 - 52 - 10524=20, 2.1/8782=18...(7) HA ILE 8 + H ASP 36 OK 13 100 - 13 - 8822/4.6=9, 10964/3.6=1 HA ASP 11 - H ASP 36 lone 5 87 - 5 - 8822/4.6=2 HA HIS 105 - H ASP 36 lone 1 77 - 1 - Peak 8795 from nnoeabs.peaks (3.73, 8.19, 118.33 ppm; 5.38 A): 0 out of 2 assignments used, low quality = 0.41: HA GLU 37 - H ASP 36 OK 41 70 - 60 - 3.0/6565=35, 3.6/8941=10...(9) HA3 GLY 100 - H ASP 36 poor 10 92 - 11 - 10106/4.7=2, 6571/4.6=2...(4) Peak 8803 from nnoeabs.peaks (9.17, 7.74, 120.70 ppm; 5.15 A): 2 out of 2 assignments used, quality = 0.87: H GLU 35 + H GLU 37 OK 84 100 - 84 - 6556/4.6=32, 4.6/8805=24...(12) H ILE 56 + H GLU 37 OK 15 73 - 20 - 10554/4.6=5, 6556/4.6=3...(9) Peak 8804 from nnoeabs.peaks (9.31, 7.74, 120.70 ppm; 5.13 A): 2 out of 2 assignments used, quality = 0.90: H LYS 33 + H GLU 37 OK 75 90 - 84 - 4.1/8831=27, 4.6/8805=24...(14) H LEU 6 + H GLU 37 OK 60 100 - 60 - 8819/4.1=15, 8818/4.1=15...(11) Peak 8805 from nnoeabs.peaks (7.25, 7.74, 120.70 ppm; 4.06 A): 2 out of 2 assignments used, quality = 0.85: H THR 34 + H GLU 37 OK 80 94 - 85 - 8770=27, 8752/4.1=20...(13) HH2 TRP 92 + H GLU 37 OK 27 77 - 34 - 8810/4.1=7, 8806/3.0=7...(9) Peak 8820 from nnoeabs.peaks (6.85, 7.74, 120.70 ppm; 6.01 A): 3 out of 4 assignments used, quality = 0.83: HE2 TYR 41 + H GLU 37 OK 57 100 - 57 - 8815/5.0=16, ~8807=15...(10) HE1 TYR 41 + H GLU 37 OK 53 99 - 54 - 8815/5.0=16, ~8807=15...(9) HE21 GLN 72 + H GLU 37 OK 16 100 - 16 - 8815/5.0=2, 5.7/10848=2...(7) HD1 TRP 92 - H GLU 37 poor 8 61 - 13 - 6.6/8805=7, 8815/5.0=2 Peak 8821 from nnoeabs.peaks (3.89, 7.74, 120.70 ppm; 4.30 A): 4 out of 8 assignments used, quality = 0.86: HA GLU 35 + H GLU 37 OK 54 99 - 55 - 3.6/6565=26, 3.0/8803=20...(8) HA LEU 38 + H GLU 37 OK 46 70 - 66 - 2.9/6576=41, 3.6/6577=12...(9) HA GLU 43 + H GLU 37 OK 31 96 - 32 - 2.9/6567=10, 12057/4.6=7...(6) HA ARG 91 + H GLU 37 OK 18 100 - 18 - 12057/4.6=5, 3.0/8828=2...(5) HA3 GLY 101 - H GLU 37 lone 7 100 - 7 - ~7631=1, 10100/4.1=1 HA ALA 89 - H GLU 37 lone 4 92 - 5 - HB2 SER 85 - H GLU 37 lone 2 87 - 3 - HB2 SER 102 - H GLU 37 lone 2 100 - 2 - Peak 8822 from nnoeabs.peaks (4.62, 7.74, 120.70 ppm; 4.23 A): 0 out of 2 assignments used, low quality = 0.12: HA ILE 8 - H GLU 37 OK 12 99 - 12 - 8794/4.6=5, 10964/4.0=2...(4) HA ASP 11 - H GLU 37 lone 3 61 - 5 - 8794/4.6=2 Peak 8825 from nnoeabs.peaks (4.41, 7.74, 120.70 ppm; 5.22 A): 2 out of 9 assignments used, quality = 0.93: HA VAL 32 + H GLU 37 OK 79 100 - 79 - 3.2/8831=33, 3.6/8804=18...(12) HA MET 74 + H GLU 37 OK 65 96 - 69 - 3.6/6577=12, 3326=10...(17) HA ILE 76 - H GLU 37 OK 20 70 - 28 - 3.0/9643=8, 3.2/9626=5...(7) HA MET 21 - H GLU 37 OK 18 100 - 18 - 8827/5.0=3, 8824/4.1=2...(5) HA ALA 25 - H GLU 37 OK 17 100 - 17 - 8823/4.1=3, 8824/4.1=3...(5) HA GLU 48 - H GLU 37 poor 9 70 - 13 - ~1584=2, 8823/4.1=2...(4) HA HIS 106 - H GLU 37 lone 7 99 - 7 - HA GLN 50 - H GLU 37 lone 6 84 - 7 - HA SER 9 - H GLU 37 lone 4 65 - 7 - 8823/4.1=1 Peak 8828 from nnoeabs.peaks (1.68, 7.74, 120.70 ppm; 5.22 A): 4 out of 16 assignments used, quality = 0.93: HB3 LYS 40 + H GLU 37 OK 80 99 - 81 - 1794/3.0=21, ~1585=19...(19) HD2 LYS 73 + H GLU 37 OK 31 90 - 35 - 3.0/3281=5, 3292=4...(12) HD3 LYS 73 + H GLU 37 OK 28 84 - 34 - 3.0/3281=5, 1.8/3292=4...(11) HB3 ARG 91 + H GLU 37 OK 26 99 - 26 - 3.0/8821=5, 8852/4.6=4...(9) HG3 LYS 20 - H GLU 37 OK 19 99 - 19 - 8846/5.0=2, 1586/3.0=2...(9) HD2 LYS 20 - H GLU 37 OK 17 100 - 17 - 1586/3.0=2, 8846/5.0=2...(9) HD3 LYS 20 - H GLU 37 OK 17 99 - 17 - 8846/5.0=2, 1586/3.0=2...(9) HB ILE 52 - H GLU 37 OK 16 96 - 17 - 8852/4.6=3, 8846/5.0=2...(6) HD2 LYS 47 - H GLU 37 OK 15 100 - 15 - 3.9/6572=2, 3.0/3270=2...(7) HD3 LYS 47 - H GLU 37 OK 15 100 - 15 - 3.9/6572=2, 3.0/3270=2...(7) HB3 LYS 53 - H GLU 37 OK 14 97 - 14 - 1586/3.0=2, 4.4/11116=2...(8) HG2 PRO 86 - H GLU 37 OK 10 81 - 13 - 2.3/6575=2, 1586/3.0=2...(5) HD2 LYS 24 - H GLU 37 lone 4 70 - 6 - 3.6/6572=1, 3.6/6572=1 HG12 ILE 15 - H GLU 37 lone 4 77 - 6 - 4.6/6577=2 HD3 LYS 24 - H GLU 37 lone 4 65 - 6 - 3.6/6572=1, 3.6/6572=1 HD3 LYS 90 - H GLU 37 lone 2 65 - 3 - Peak 8829 from nnoeabs.peaks (1.47, 7.74, 120.70 ppm; 4.26 A): 4 out of 14 assignments used, quality = 0.97: HD3 LYS 40 + H GLU 37 OK 63 99 - 63 - ~1585=7, ~8834=7...(20) HD2 LYS 40 + H GLU 37 OK 63 99 - 63 - ~1585=7, ~8834=7...(20) HB2 LEU 38 + H GLU 37 OK 53 81 - 66 - 3.8/6576=33, 3.1/8832=11...(13) HG LEU 38 + H GLU 37 OK 49 92 - 54 - 5.3/6576=22, 2.1/8832=13...(12) HG3 ARG 91 - H GLU 37 OK 11 70 - 16 - 1642/4.6=3, 4.0/8821=3...(5) HG2 LYS 20 - H GLU 37 OK 11 87 - 13 - 1.8/8828=2, 2.8/8828=1...(6) HG LEU 64 - H GLU 37 OK 10 90 - 11 - 2.1/8832=3, 3.0/6575=2 HG13 ILE 52 - H GLU 37 poor 10 87 - 11 - 1642/4.6=3, 12310/3.0=1 HB2 ARG 91 - H GLU 37 poor 9 70 - 13 - 3.0/8821=3, 1.8/8828=2, ~1586=2 HD2 LYS 53 - H GLU 37 lone 9 92 - 10 - 12114/4.1=2, 12310/3.0=1 HG2 LYS 53 - H GLU 37 lone 8 98 - 8 - 3.0/8828=1 HG3 LYS 53 - H GLU 37 lone 8 100 - 8 - 3.0/8828=1 HD2 LYS 82 - H GLU 37 lone 8 92 - 8 - 2.9/10928=1 HB2 LEU 27 - H GLU 37 lone 3 87 - 4 - Peak 8830 from nnoeabs.peaks (1.18, 7.74, 120.70 ppm; 4.45 A): 2 out of 4 assignments used, quality = 0.89: QG2 THR 34 + H GLU 37 OK 83 99 - 84 - 8766=25, 4.0/8805=21...(14) HB2 LEU 6 + H GLU 37 OK 35 100 - 35 - 4.0/8804=10, 8835/3.0=5...(14) HB2 LEU 29 - H GLU 37 poor 7 61 - 10 - 8835/3.0=2, 8848/5.0=1 HB2 LEU 57 - H GLU 37 lone 3 70 - 4 - 6064/8804=1 Peak 8831 from nnoeabs.peaks (0.91, 7.74, 120.70 ppm; 4.22 A): 2 out of 2 assignments used, quality = 0.85: QG1 VAL 32 + H GLU 37 OK 81 100 - 81 - 8937/4.6=21, 8836/4.1=18...(15) HG13 ILE 7 + H GLU 37 OK 20 77 - 26 - 8836/4.1=7, 8839/4.1=6...(7) Peak 8832 from nnoeabs.peaks (0.85, 7.74, 120.70 ppm; 4.64 A): 3 out of 4 assignments used, quality = 0.75: QG2 VAL 32 + H GLU 37 OK 47 73 - 65 - 2.1/8831=33, ~8935=13...(12) QD1 LEU 38 + H GLU 37 OK 47 84 - 56 - 4.5/6576=33, 8933/3.0=9...(7) QD2 LEU 64 + H GLU 37 OK 11 77 - 14 - 6590/4.6=3, 3.1/6575=2 QD1 LEU 103 - H GLU 37 poor 9 70 - 13 - 6590/4.6=5, 3.9/6568=3...(4) Peak 8851 from nnoeabs.peaks (0.71, 7.53, 119.20 ppm; 4.53 A): 7 out of 8 assignments used, quality = 0.74: QD1 ILE 56 + H LEU 38 OK 23 97 - 24 - 5.0/10554=4, ~8855=4...(9) HG13 ILE 56 + H LEU 38 OK 22 100 - 22 - 4.9/10554=5, 8855/2.9=4...(8) QD1 ILE 8 + H LEU 38 OK 21 99 - 21 - 12202/3.8=3, 8856/3.8=3...(7) QD2 LEU 14 + H LEU 38 OK 18 98 - 18 - 633/4.6=3, 4.9/6591=3...(5) QG1 VAL 58 + H LEU 38 OK 14 98 - 15 - 9382/3.8=4, 8855/2.9=4...(4) QG2 VAL 78 + H LEU 38 OK 11 97 - 12 - ~8855=2, 3484/4.6=2...(4) QG1 VAL 5 + H LEU 38 OK 11 87 - 13 - 4.1/10555=8, 8855/2.9=1 QD2 LEU 27 - H LEU 38 lone 6 77 - 8 - 8855/2.9=3 Peak 8852 from nnoeabs.peaks (1.67, 7.53, 119.20 ppm; 4.67 A): 4 out of 14 assignments used, quality = 0.91: HB3 LYS 40 + H LEU 38 OK 72 92 - 79 - 4.1/6616=31, 4.3/8884=23...(22) HB3 ARG 91 + H LEU 38 OK 37 94 - 40 - 3.0/12057=8, 2.8/1642=6...(16) HB ILE 52 + H LEU 38 OK 29 100 - 30 - 3.0/1642=5, 12070/4.5=4...(12) HD2 LYS 39 + H LEU 38 OK 28 61 - 46 - 6.0/6596=20...(6) HG3 LYS 20 - H LEU 38 OK 17 100 - 17 - 12070/4.5=3, 897/3.8=2...(8) HD2 LYS 20 - H LEU 38 OK 15 99 - 15 - 12070/4.5=2, 1586/3.6=2...(5) HD3 LYS 20 - H LEU 38 OK 15 100 - 15 - 12070/4.5=2, 1586/3.6=1...(5) HD2 LYS 47 - H LEU 38 OK 11 97 - 11 - 3.9/6581=2, 1586/3.6=1 HB3 LYS 53 - H LEU 38 OK 11 87 - 12 - 1586/3.6=2, 12070/4.5=1 HD3 LYS 47 - H LEU 38 OK 10 96 - 11 - 3.9/6581=2, 1586/3.6=1 HD2 LYS 73 - H LEU 38 lone 9 98 - 9 - 3292/4.6=2, 1586/3.6=1 HD3 LYS 73 - H LEU 38 lone 8 96 - 8 - 3292/4.6=2, 1586/3.6=1 HG2 PRO 86 - H LEU 38 lone 5 61 - 9 - 2.3/6584=2, 1586/3.6=2 HB3 ARG 79 - H LEU 38 lone 2 61 - 4 - 9699/10554=1 Peak 8853 from nnoeabs.peaks (1.82, 7.53, 119.20 ppm; 4.75 A): 4 out of 9 assignments used, quality = 0.70: HB2 LEU 42 + H LEU 38 OK 38 81 - 48 - 3.0/6580=11, 4.6/8941=9...(12) HG2 ARG 46 + H LEU 38 OK 35 99 - 36 - 3.0/6581=6, 10172/2.9=5...(12) HB3 LEU 57 + H LEU 38 OK 13 100 - 13 - 3.1/6589=2, 2623/4.5=2...(4) HB2 GLU 88 + H LEU 38 OK 13 87 - 15 - 1.8/6587=2, 10550/3.8=2...(6) HB2 GLU 104 - H LEU 38 lone 8 87 - 9 - 4.0/8941=3, 3.0/6584=1 HB ILE 93 - H LEU 38 poor 7 65 - 10 - ~12249=2, ~8855=2...(4) HB2 LYS 90 - H LEU 38 lone 6 94 - 6 - HB2 LYS 68 - H LEU 38 lone 4 70 - 6 - 4.0/8941=3 HB3 LYS 90 - H LEU 38 lone 3 84 - 3 - Peak 8854 from nnoeabs.peaks (2.52, 7.53, 119.20 ppm; 5.15 A): 4 out of 7 assignments used, quality = 0.92: HB3 ASP 36 + H LEU 38 OK 59 81 - 73 - 4.0/6576=42...(7) HB2 ASP 36 + H LEU 38 OK 56 77 - 73 - 4.0/6576=42...(7) HG2 MET 74 + H LEU 38 OK 52 97 - 53 - 4.8/6579=9, 2.9/9584=9...(12) HG3 GLU 95 + H LEU 38 OK 11 99 - 11 - 1.8/6583=2, 8955/4.6=1 HG3 GLU 63 - H LEU 38 lone 7 99 - 7 - 8955/4.6=2 HG3 GLN 72 - H LEU 38 lone 6 70 - 8 - 3.5/8859=1, 8955/4.6=1 HB2 ASP 61 - H LEU 38 lone 5 90 - 5 - Peak 8858 from nnoeabs.peaks (7.26, 7.53, 119.20 ppm; 4.53 A): 2 out of 2 assignments used, quality = 0.78: H THR 34 + H LEU 38 OK 72 90 - 80 - 8769=23, 8808/4.6=19...(12) HH2 TRP 92 + H LEU 38 OK 23 70 - 33 - 8806/3.6=8, 8810/4.6=7...(8) Peak 8859 from nnoeabs.peaks (6.84, 7.53, 119.20 ppm; 5.47 A): 4 out of 5 assignments used, quality = 0.95: HD1 TYR 41 + H LEU 38 OK 56 81 - 70 - 5.4/8884=26, 8860/2.9=18...(14) HE2 TYR 41 + H LEU 38 OK 55 90 - 62 - 7.4/8884=16, ~8860=15...(14) HE1 TYR 41 + H LEU 38 OK 50 84 - 60 - 7.4/8884=17, ~8860=15...(13) HD2 TYR 41 + H LEU 38 OK 48 70 - 69 - 5.3/8884=26, 8860/2.9=17...(14) HE21 GLN 72 - H LEU 38 OK 10 92 - 11 - 8820/4.6=3, 8809/4.6=2 Peak 8862 from nnoeabs.peaks (0.83, 7.63, 118.27 ppm; 4.56 A): 6 out of 8 assignments used, quality = 0.94: QD2 LEU 38 + H LYS 40 OK 69 99 - 69 - 4.5/6616=27, 6601/4.6=9...(18) QD1 LEU 70 + H LYS 40 OK 44 90 - 49 - 9546/3.6=9, 4.6/6638=8...(17) QG2 VAL 32 + H LYS 40 OK 38 99 - 38 - 10162/2.9=8, 10335/4.9=6...(11) QD2 LEU 70 + H LYS 40 OK 29 61 - 47 - 10822/3.6=13, 4.6/6638=8...(16) QG2 ILE 15 + H LYS 40 OK 14 70 - 20 - 4.0/6618=4, 6601/4.6=2...(8) QD2 LEU 103 + H LYS 40 OK 13 100 - 13 - 6601/4.6=4, 3.9/8863=3 QD2 LEU 2 - H LYS 40 poor 8 65 - 12 - ~10124=2, 8952/3.6=2, 6601/4.6=1 QD1 LEU 57 - H LYS 40 lone 6 100 - 6 - Peak 8863 from nnoeabs.peaks (4.28, 7.63, 118.27 ppm; 4.43 A): 2 out of 2 assignments used, quality = 0.74: HA ASP 36 + H LYS 40 OK 71 98 - 73 - 10540=37, 10560/4.6=22...(11) HA LEU 103 + H LYS 40 OK 10 65 - 15 - 8949/4.6=5, 10560/4.6=3...(4) Peak 8868 from nnoeabs.peaks (0.87, 7.82, 117.81 ppm; 4.82 A): 6 out of 7 assignments used, quality = 0.90: QD1 LEU 38 + H TYR 41 OK 56 81 - 70 - 4.5/8884=24, 3.8/1623=22...(13) HG13 ILE 8 + H TYR 41 OK 36 84 - 43 - 3.1/8869=9, 2.9/8882=8...(10) QG2 ILE 76 + H TYR 41 OK 30 94 - 32 - 8912/4.6=9, 3.2/8869=4...(7) HG13 ILE 7 + H TYR 41 OK 23 61 - 38 - 3.2/8869=6, ~10374=6...(8) QD1 LEU 2 + H TYR 41 OK 20 96 - 21 - 8912/4.6=4, 8055/4.0=4...(5) QD2 LEU 64 + H TYR 41 OK 14 87 - 15 - 3.1/8880=3, 1621/1623=2...(5) QD1 LEU 103 - H TYR 41 poor 10 92 - 11 - 1621/1623=3, 6590/8884=2 Peak 8869 from nnoeabs.peaks (0.79, 7.82, 117.81 ppm; 4.28 A): 5 out of 8 assignments used, quality = 0.85: QG2 ILE 8 + H TYR 41 OK 42 100 - 42 - 2.1/8882=7, 304=5...(12) QG2 ILE 52 + H TYR 41 OK 36 94 - 38 - 8873/4.0=6, 3.1/8870=5...(11) QG2 ILE 7 + H TYR 41 OK 30 90 - 33 - 8265/3.0=6, 3.2/8249=5...(8) QD1 LEU 6 + H TYR 41 OK 29 70 - 42 - 8873/4.0=9, 8876/4.0=9...(9) QD1 ILE 76 + H TYR 41 OK 19 84 - 23 - 3.2/8868=4, 9668/3.6=3...(8) QD2 LEU 57 - H TYR 41 lone 7 96 - 8 - QD1 ILE 93 - H TYR 41 lone 6 65 - 8 - 3.2/8883=2, 8871/3.0=1 QD1 LEU 27 - H TYR 41 lone 5 61 - 9 - 8871/3.0=1, 3.1/6649=1 Peak 8870 from nnoeabs.peaks (0.70, 7.82, 117.81 ppm; 4.56 A): 5 out of 7 assignments used, quality = 0.96: QD1 LEU 42 + H TYR 41 OK 61 87 - 70 - 4.7/6666=22, 2.1/8882=12...(18) QD1 ILE 52 + H TYR 41 OK 46 98 - 47 - 3.1/8869=7, 9176/4.0=6...(15) QD2 LEU 6 + H TYR 41 OK 45 81 - 56 - 8229/4.0=15, 8874/4.0=9...(12) QD1 ILE 8 + H TYR 41 OK 42 94 - 45 - 3.0/8869=8, 2.1/8868=7...(13) QD2 LEU 14 + H TYR 41 OK 35 96 - 36 - ~10409=5, 3.1/8882=4...(11) QD1 ILE 56 - H TYR 41 OK 14 97 - 14 - 8851/8884=1 HG13 ILE 56 - H TYR 41 lone 7 81 - 9 - 8851/8884=1 Peak 8880 from nnoeabs.peaks (2.10, 7.82, 117.81 ppm; 4.72 A): 2 out of 9 assignments used, quality = 0.50: HG3 GLU 37 + H TYR 41 OK 45 99 - 45 - 3.9/6640=13...(8) HB VAL 83 + H TYR 41 OK 10 96 - 11 - 9777/7.4=3, 9777/7.4=3 HB2 LEU 64 - H TYR 41 lone 9 96 - 9 - 3.1/8868=2, 6584/8884=1 HB3 PRO 86 - H TYR 41 lone 7 100 - 7 - QE MET 21 - H TYR 41 lone 6 98 - 6 - 8541/3.6=2 HG3 GLU 104 - H TYR 41 lone 5 97 - 5 - 3.0/8883=1 HB3 GLU 62 - H TYR 41 lone 4 73 - 6 - HB2 PRO 86 - H TYR 41 lone 3 77 - 4 - HB2 GLU 23 - H TYR 41 lone 2 65 - 3 - Peak 8881 from nnoeabs.peaks (1.99, 7.82, 117.81 ppm; 4.61 A): 5 out of 9 assignments used, quality = 0.92: HB2 GLU 37 + H TYR 41 OK 50 94 - 54 - 4.6/8884=21, 3.0/8880=15...(8) HB2 GLU 44 + H TYR 41 OK 42 81 - 53 - 1881/3.0=10, ~1881=9...(12) HB3 GLU 44 + H TYR 41 OK 42 81 - 53 - 1881/3.0=10, ~1881=9...(12) QE MET 74 + H TYR 41 OK 41 77 - 53 - 10280/4.0=9, 1880/3.0=9...(15) HB2 LYS 47 + H TYR 41 OK 17 65 - 26 - ~10615=4, ~2145=3...(8) HB2 ARG 46 - H TYR 41 poor 10 87 - 11 - 3.0/8883=2, 6581/8884=2 QE MET 1 - H TYR 41 lone 8 92 - 9 - 8031/3.6=2 HB3 GLU 17 - H TYR 41 lone 3 57 - 6 - HB3 MET 1 - H TYR 41 lone 3 73 - 4 - Peak 8882 from nnoeabs.peaks (1.89, 7.82, 117.81 ppm; 4.33 A): 7 out of 9 assignments used, quality = 0.91: HG LEU 42 + H TYR 41 OK 57 97 - 59 - 4.9/6666=19, 4.3/6640=9...(14) HB ILE 8 + H TYR 41 OK 39 98 - 40 - 2.1/8869=9, 2.9/8868=5...(11) HB2 GLU 43 + H TYR 41 OK 31 70 - 45 - 4.0/6683=18, 3.0/6655=8...(7) HB3 LEU 14 + H TYR 41 OK 21 84 - 25 - 3.1/8870=4, 4.4/6642=3...(9) HB3 LYS 68 + H TYR 41 OK 14 65 - 21 - 4.0/6660=6, 2.9/6646=3...(6) HB2 LYS 20 + H TYR 41 OK 13 100 - 13 - 1780/3.6=2, 3.0/6647=2...(5) HB VAL 54 + H TYR 41 OK 12 99 - 12 - 6675/4.6=4 HB2 ARG 19 - H TYR 41 lone 5 100 - 5 - HB3 GLU 104 - H TYR 41 lone 3 61 - 5 - 3.0/8880=2, 1.8/8883=1 Peak 8883 from nnoeabs.peaks (1.79, 7.82, 117.81 ppm; 4.71 A): 5 out of 9 assignments used, quality = 0.92: HB2 LYS 39 + H TYR 41 OK 71 99 - 72 - 3.0/6643=28, 4.6/6644=24...(13) HB2 LEU 42 + H TYR 41 OK 59 81 - 73 - 4.0/6666=27, 4.6/6683=19...(14) HB3 GLU 63 + H TYR 41 OK 17 77 - 21 - ~2773=4, 2780/3.0=3...(8) HG3 ARG 46 + H TYR 41 OK 14 98 - 14 - 10173/3.6=3, 6620/4.6=2...(4) HB ILE 93 + H TYR 41 OK 12 92 - 13 - 6673/4.6=2, 10029/3.6=2...(4) HB2 GLU 104 - H TYR 41 lone 6 73 - 8 - 3.0/8880=2, 6620/4.6=1 HB2 LYS 90 - H TYR 41 lone 5 61 - 9 - 6673/4.6=2 HB2 GLU 88 - H TYR 41 lone 5 73 - 6 - HB VAL 78 - H TYR 41 lone 4 84 - 5 - Peak 8884 from nnoeabs.peaks (7.53, 7.82, 117.81 ppm; 5.01 A): 1 out of 1 assignment used, quality = 0.85: H LEU 38 + H TYR 41 OK 85 100 - 85 - 6616/4.6=31, 2.9/1623=28...(19) Peak 8912 from nnoeabs.peaks (0.88, 7.96, 115.96 ppm; 4.30 A): 4 out of 4 assignments used, quality = 0.75: QG2 ILE 76 + H LEU 42 OK 47 100 - 47 - 10592/3.0=12...(8) HG13 ILE 7 + H LEU 42 OK 27 94 - 28 - 1.8/8913=11, 8257/3.6=5...(5) QD1 LEU 2 + H LEU 42 OK 21 100 - 21 - 8055/4.1=3, 10592/3.0=2...(7) HG13 ILE 8 + H LEU 42 OK 19 100 - 19 - 2.9/6675=4, 10592/3.0=3...(6) Peak 8913 from nnoeabs.peaks (1.42, 7.96, 115.96 ppm; 4.48 A): 3 out of 6 assignments used, quality = 0.65: HG12 ILE 7 + H LEU 42 OK 32 99 - 32 - 1.8/8912=10, 10374/3.6=6...(9) QB ALA 71 + H LEU 42 OK 29 94 - 31 - 2.9/7157=11, 2.1/2978=7...(8) HG13 ILE 76 + H LEU 42 OK 29 70 - 41 - 3.2/8912=13, ~10878=10...(7) HG2 LYS 13 - H LEU 42 poor 10 90 - 11 - 8918/4.0=2, 8915/4.0=1 QB ALA 22 - H LEU 42 lone 6 73 - 9 - 8587/4.6=2, 8918/4.0=1 HG LEU 29 - H LEU 42 lone 4 73 - 6 - 8918/4.0=1 Peak 8914 from nnoeabs.peaks (1.69, 7.96, 115.96 ppm; 4.54 A): 5 out of 20 assignments used, quality = 0.92: HB3 LYS 40 + H LEU 42 OK 65 96 - 68 - 4.3/6666=23, 4.1/6664=19...(14) HG LEU 70 + H LEU 42 OK 59 97 - 61 - 2.1/3166=14, 3150=14...(10) HD3 LYS 90 + H LEU 42 OK 21 99 - 22 - 2.9/6674=4, 3.6/6673=4...(7) HB2 LEU 2 + H LEU 42 OK 17 92 - 18 - 3.1/8912=6, ~10592=1...(4) HG12 ILE 15 + H LEU 42 OK 17 100 - 17 - 2.1/6677=2, 1.8/6677=2...(5) HG2 PRO 86 - H LEU 42 lone 10 100 - 10 - 1.8/10591=2, 3150=1 HB3 ARG 91 - H LEU 42 lone 8 94 - 9 - 10610/4.6=2 HB3 LYS 53 - H LEU 42 lone 8 98 - 8 - 9187/4.0=2, 6647/4.6=1 HD3 LYS 47 - H LEU 42 lone 8 92 - 8 - 6647/4.6=2, 10588/3.6=1 HD2 LYS 13 - H LEU 42 lone 7 94 - 8 - 3.0/8913=3 HD2 LYS 47 - H LEU 42 lone 7 90 - 8 - 6647/4.6=2, 10588/3.6=1 HD2 LYS 12 - H LEU 42 lone 7 94 - 7 - HD3 LYS 12 - H LEU 42 lone 7 94 - 7 - HD3 LYS 13 - H LEU 42 lone 7 90 - 8 - 3.0/8913=3 HG3 LYS 20 - H LEU 42 lone 5 70 - 8 - 3.0/6675=1, 6647/4.6=1 HD3 LYS 66 - H LEU 42 lone 5 92 - 6 - HD2 LYS 20 - H LEU 42 lone 5 81 - 6 - 3.5/6675=1 HD3 LYS 20 - H LEU 42 lone 4 70 - 6 - 3.5/6675=1 HD2 LYS 24 - H LEU 42 lone 3 99 - 3 - HD3 LYS 24 - H LEU 42 lone 3 99 - 3 - Peak 8929 from nnoeabs.peaks (6.69, 7.96, 115.96 ppm; 5.63 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8932 from nnoeabs.peaks (0.90, 7.53, 119.20 ppm; 3.24 A): 2 out of 3 assignments used, quality = 0.73: QG1 VAL 32 + H LEU 38 OK 69 99 - 70 - 8937=27, 8831/4.6=9...(16) HG13 ILE 7 + H LEU 38 OK 13 92 - 14 - 8836/4.6=3, 8839/4.6=3...(4) HG13 ILE 8 - H LEU 38 lone 5 73 - 7 - 2.1/8851=3 Peak 8940 from nnoeabs.peaks (4.29, 7.53, 119.20 ppm; 4.95 A): 2 out of 3 assignments used, quality = 0.94: HA ASP 36 + H LEU 38 OK 91 100 - 91 - 10541=48, 3.6/6576=43...(13) HA LEU 103 + H LEU 38 OK 35 92 - 38 - 3.9/6590=9, 4472/4.5=7...(9) HA GLU 28 - H LEU 38 lone 3 61 - 4 - Peak 8941 from nnoeabs.peaks (8.20, 7.53, 119.20 ppm; 4.56 A): 4 out of 6 assignments used, quality = 0.91: H ASP 36 + H LEU 38 OK 66 81 - 82 - 4.6/6576=31...(16) H GLU 43 + H LEU 38 OK 61 98 - 63 - 2.9/12057=12...(15) H GLU 104 + H LEU 38 OK 18 70 - 25 - 3.6/8940=7, 4.9/6590=7...(7) H LYS 68 + H LEU 38 OK 17 84 - 20 - 10556/4.6=5, 6660/8884=2...(6) H PHE 96 - H LEU 38 lone 5 84 - 6 - 7549/2.9=1 H SER 97 - H LEU 38 lone 5 70 - 6 - 10062/3.8=2, 7566/2.9=1 Peak 8947 from nnoeabs.peaks (0.70, 8.08, 116.94 ppm; 4.83 A): 4 out of 7 assignments used, quality = 0.93: QD1 LEU 42 + H LYS 39 OK 77 90 - 87 - 8966/3.0=29, ~8967=20...(19) QD2 LEU 14 + H LYS 39 OK 40 94 - 42 - 8953/3.0=7, 633=5...(16) QD1 ILE 52 + H LYS 39 OK 32 99 - 32 - 8953/3.0=6, 8856/4.6=6...(9) QD1 ILE 8 + H LYS 39 OK 22 92 - 24 - 8857/4.6=3, 8856/4.6=3...(7) QD1 ILE 56 - H LYS 39 OK 21 96 - 22 - 8857/4.6=3, 8856/4.6=3...(7) QD2 LEU 6 - H LYS 39 OK 16 84 - 19 - 8953/3.0=3, 10566/4.0=2...(8) HG13 ILE 56 - H LYS 39 OK 12 77 - 16 - 8851/4.6=3, 8856/4.6=3...(5) Peak 8949 from nnoeabs.peaks (4.29, 8.08, 116.94 ppm; 4.07 A): 2 out of 2 assignments used, quality = 0.83: HA ASP 36 + H LYS 39 OK 78 100 - 78 - 10560/4.0=21...(16) HA LEU 103 + H LYS 39 OK 22 81 - 27 - 3.9/6602=7, 8940/4.6=4...(8) Peak 8954 from nnoeabs.peaks (2.21, 8.08, 116.94 ppm; 4.77 A): 5 out of 10 assignments used, quality = 0.72: HG3 GLU 35 + H LYS 39 OK 32 90 - 36 - 2.9/6599=6, 12060/4.0=5...(12) HG2 GLU 35 + H LYS 39 OK 32 90 - 36 - 2.9/6599=6, 12060/4.0=5...(12) HG2 GLU 43 + H LYS 39 OK 21 61 - 35 - 5.0/10556=9, 3.0/6599=6...(11) HB2 GLU 63 + H LYS 39 OK 12 92 - 13 - 10575/5.2=3, 10576/4.0=2...(4) HB3 GLU 75 + H LYS 39 OK 11 65 - 17 - 1.8/3381=3, 4.1/7247=3...(8) HB2 GLU 95 - H LYS 39 lone 7 100 - 7 - 2.9/8955=2 HG2 MET 1 - H LYS 39 lone 7 94 - 7 - 10575/5.2=1 HG3 PRO 86 - H LYS 39 lone 6 87 - 7 - 2.3/10953=1 HG2 GLU 98 - H LYS 39 lone 1 96 - 1 - HG2 GLU 99 - H LYS 39 lone 1 81 - 1 - Peak 8955 from nnoeabs.peaks (2.52, 8.08, 116.94 ppm; 5.57 A): 3 out of 7 assignments used, quality = 0.93: HG2 MET 74 + H LYS 39 OK 74 99 - 75 - ~9609=26, 3.4/3373=13...(16) HB3 ASP 36 + H LYS 39 OK 50 73 - 68 - 3.0/8949=36, 4.0/6577=18...(8) HB2 ASP 36 + H LYS 39 OK 47 70 - 67 - 3.0/8949=36, 4.0/6577=18...(9) HG3 GLU 63 - H LYS 39 OK 15 97 - 15 - 3.0/8954=4, 10571/5.2=3...(4) HG3 GLU 95 - H LYS 39 OK 13 100 - 13 - 2.9/8954=2, 8854/4.6=2 HG3 GLN 72 - H LYS 39 OK 12 77 - 16 - 4.8/10827=4, 7228/6594=1 HB2 ASP 61 - H LYS 39 lone 5 84 - 5 - Peak 8961 from nnoeabs.peaks (6.85, 7.63, 118.27 ppm; 6.04 A): 3 out of 4 assignments used, quality = 0.96: HE2 TYR 41 + H LYS 40 OK 73 99 - 74 - 5.4/8891=20, 7.4/6644=18...(13) HE1 TYR 41 + H LYS 40 OK 71 97 - 73 - 5.4/8891=20, 7.4/6644=19...(13) HD1 TYR 41 + H LYS 40 OK 46 57 - 81 - 5.4/6644=30, 3.7/8891=26...(17) HE21 GLN 72 - H LYS 40 lone 8 99 - 8 - 9574/4.1=1 Peak 8972 from nnoeabs.peaks (1.67, 7.60, 120.47 ppm; 5.40 A): 6 out of 15 assignments used, quality = 0.91: HD2 LYS 47 + H GLU 44 OK 56 87 - 65 - ~10615=11, 3.0/8976=8...(18) HD3 LYS 47 + H GLU 44 OK 54 84 - 65 - ~10615=11, 3.0/8976=8...(18) HB ILE 52 + H GLU 44 OK 25 100 - 25 - 3.2/9149=7, 2.1/8974=6...(6) HB3 LYS 40 + H GLU 44 OK 23 77 - 31 - 3.0/6700=8, 10187/4.8=5...(11) HB3 ARG 91 + H GLU 44 OK 12 81 - 15 - 3.0/1957=3, 4036/3.6=1 HD2 LYS 39 + H GLU 44 OK 11 81 - 14 - 9600/9589=4, 3.0/8973=4...(4) HG3 LYS 20 - H GLU 44 lone 10 98 - 10 - 895/4.4=1 HD2 LYS 68 - H GLU 44 poor 9 73 - 12 - 5.9/6704=4, 3.0/8973=3 HD3 LYS 68 - H GLU 44 poor 9 70 - 12 - 5.9/6704=4, 3.0/8973=3 HD3 LYS 20 - H GLU 44 lone 8 98 - 8 - HD2 LYS 20 - H GLU 44 lone 8 94 - 9 - HD2 LYS 73 - H GLU 44 lone 7 100 - 7 - 9600/9589=1 HD3 LYS 73 - H GLU 44 lone 7 100 - 7 - 9600/9589=1 HB3 LYS 53 - H GLU 44 lone 3 70 - 5 - HB3 ARG 79 - H GLU 44 lone 2 81 - 3 - Peak 8973 from nnoeabs.peaks (1.34, 7.60, 120.47 ppm; 5.56 A): 8 out of 10 assignments used, quality = 0.84: HG2 LYS 94 + H GLU 44 OK 41 100 - 42 - 4.9/6715=9, 3.7/6700=7...(12) QB ALA 67 + H GLU 44 OK 24 100 - 23 - 3.6/6704=7, 2985/4.6=5...(5) HG2 LYS 39 + H GLU 44 OK 19 96 - 20 - 12072/9589=3, 3032/4.6=3...(6) HG3 LYS 68 + H GLU 44 OK 16 87 - 19 - 4.6/6704=6, 3032/4.6=3...(4) HG LEU 14 + H GLU 44 OK 16 84 - 19 - 2.1/8975=7, 3.0/6706=3...(4) HB3 LEU 27 + H GLU 44 OK 15 97 - 15 - 3.1/8974=3, 3.1/8975=3 QB ALA 25 + H GLU 44 OK 15 100 - 15 - 9603/9589=2, 8607=2...(4) HB3 LEU 2 + H GLU 44 OK 11 99 - 11 - 9603/9589=5, 10605/1990=2 QB ALA 89 - H GLU 44 lone 10 100 - 10 - 9933/4.4=1 HB2 LYS 82 - H GLU 44 lone 6 98 - 6 - Peak 8974 from nnoeabs.peaks (0.77, 7.60, 120.47 ppm; 5.11 A): 8 out of 9 assignments used, quality = 0.90: QD2 LEU 42 + H GLU 44 OK 59 99 - 59 - 4.7/6679=23, 4.0/6703=17...(9) QG2 ILE 52 + H GLU 44 OK 27 97 - 28 - 3.1/9149=6, 2.1/8972=4...(8) QD1 LEU 6 + H GLU 44 OK 21 100 - 21 - 6691/4.6=3, 8871/1879=3...(9) QD1 ILE 93 + H GLU 44 OK 21 100 - 20 - 4169/4.6=4, 10325/3.6=4...(5) QG1 VAL 54 + H GLU 44 OK 20 92 - 21 - 10657/6703=6, 6691/4.6=6 QD1 LEU 27 + H GLU 44 OK 15 100 - 15 - 1220/4.6=3, 2.1/8975=3...(4) QG2 ILE 8 + H GLU 44 OK 14 77 - 18 - 3.0/8975=6, 2.1/6706=2...(5) QD1 ILE 15 + H GLU 44 OK 13 87 - 15 - 10417/3.0=3, 6691/4.6=2...(4) HG13 ILE 15 - H GLU 44 poor 7 70 - 10 - ~10417=3, 6691/4.6=1 Peak 8975 from nnoeabs.peaks (0.71, 7.60, 120.47 ppm; 5.60 A): 5 out of 9 assignments used, quality = 0.64: QD1 ILE 8 + H GLU 44 OK 22 99 - 22 - 12202/4.4=5, 3.0/8974=3...(5) QD2 LEU 14 + H GLU 44 OK 22 99 - 22 - 2.1/8973=4, 3.1/6706=3...(7) QD1 ILE 52 + H GLU 44 OK 20 61 - 33 - 9152/4.6=6, 3.1/8974=5...(10) QG1 VAL 58 + H GLU 44 OK 16 97 - 16 - ~10227=4, 10226/3.0=2...(4) QD1 ILE 56 + H GLU 44 OK 11 98 - 11 - 12202/4.4=2 QD2 LEU 27 - H GLU 44 poor 9 73 - 12 - 2.1/8974=3, 3.1/8973=3 HG13 ILE 56 - H GLU 44 lone 8 100 - 8 - 10678/4.4=1 QG2 VAL 78 - H GLU 44 lone 6 96 - 6 - 9550/6715=2 QG1 VAL 5 - H GLU 44 lone 4 84 - 5 - 10369/4.6=1 Peak 8976 from nnoeabs.peaks (2.98, 7.60, 120.47 ppm; 4.95 A): 5 out of 7 assignments used, quality = 0.95: HB2 PHE 45 + H GLU 44 OK 59 100 - 59 - 3.7/6722=22, 4.5/6716=15...(6) HE2 LYS 47 + H GLU 44 OK 50 92 - 54 - ~8977=7, 3.0/8972=7...(15) HE3 LYS 47 + H GLU 44 OK 50 92 - 54 - ~8977=7, 3.0/8972=7...(15) HB3 PHE 45 + H GLU 44 OK 40 70 - 57 - 3.7/6722=22, 4.5/6716=15...(7) HB2 SER 9 + H GLU 44 OK 19 97 - 19 - 4.6/6121=3, 1.8/6701=3...(5) HB3 ASP 11 - H GLU 44 poor 9 92 - 10 - 4.0/6141=4 HE3 LYS 12 - H GLU 44 lone 2 61 - 4 - Peak 8984 from nnoeabs.peaks (6.83, 7.60, 120.47 ppm; 5.39 A): 3 out of 4 assignments used, quality = 0.82: HD1 TYR 41 + H GLU 44 OK 54 99 - 54 - 4.2/1879=26, 3.7/6709=13...(7) HD2 TYR 41 + H GLU 44 OK 51 96 - 53 - 4.3/1879=25, 3.7/6709=13...(7) HE2 TYR 41 + H GLU 44 OK 19 57 - 33 - 6.4/1879=16, 5.4/6709=10...(6) HE21 GLN 72 - H GLU 44 lone 1 61 - 2 - Peak 8985 from nnoeabs.peaks (6.68, 7.60, 120.47 ppm; 5.37 A): 2 out of 2 assignments used, quality = 0.56: HD1 PHE 45 + H GLU 44 OK 34 61 - 55 - 5.5/6722=17, 8990/4.8=11...(11) HD2 PHE 45 + H GLU 44 OK 34 61 - 55 - 5.6/6722=17, 8990/4.8=11...(11) Peak 9028 from nnoeabs.peaks (0.79, 8.02, 118.14 ppm; 3.77 A): 8 out of 16 assignments used, quality = 0.89: QD1 ILE 76 + H ARG 46 OK 56 94 - 60 - 9630=13, 9639/3.0=13...(15) QG2 ILE 15 + H ARG 46 OK 26 65 - 40 - 2.1/652=8, 4.0/6222=6...(9) QG2 ILE 52 + H ARG 46 OK 23 84 - 28 - 3.1/9151=8, 8996/3.6=4...(8) QG2 ILE 15 + H GLU 16 OK 21 25 - 85 - 4.4=65, 2.1/652=18...(12) QD2 LEU 57 + H ARG 46 OK 16 99 - 17 - 2636/4.9=3, 9020/6.3=3...(5) QG2 ILE 7 + H ARG 46 OK 14 97 - 15 - 3.2/10614=3, 8267/4.5=2...(5) QD1 ILE 76 + H GLU 16 OK 13 41 - 32 - 9630=6, 8530/3.0=4...(11) QG2 ILE 8 + H ARG 46 OK 12 99 - 12 - 3.1/10614=2, 9026/3.0=1 QG2 ILE 7 - H GLU 16 poor 7 43 - 17 - 637/3.6=3, 8244/6264=3...(5) QD2 LEU 2 - H ARG 46 lone 7 70 - 10 - 2.1/10614=3 QD2 LEU 70 - H ARG 46 lone 6 73 - 8 - 3173/4.6=2 QG2 ILE 8 - H GLU 16 lone 4 45 - 9 - 10421/4.0=1, 8530/3.0=1 QD2 LEU 70 - H GLU 16 poor 3 29 - 10 - 637/3.6=2, 648/4.5=2, 8530/3.0=1 QD2 LEU 57 - H GLU 16 lone 3 46 - 6 - QG2 ILE 52 - H GLU 16 lone 2 34 - 7 - 10421/4.0=2 QD2 LEU 2 - H GLU 16 lone 2 27 - 8 - 637/3.6=1, 648/4.5=1 Peak 9029 from nnoeabs.peaks (2.35, 7.47, 116.94 ppm; 4.62 A): 3 out of 4 assignments used, quality = 0.68: HG2 GLU 48 + H LYS 47 OK 38 84 - 45 - 4.9/6780=18...(7) HG3 GLU 44 + H LYS 47 OK 33 97 - 34 - 4.0/1998=19, 4.8/6778=8...(6) HG2 GLU 16 + H LYS 47 OK 24 96 - 25 - 6793/4.6=5, 5.1/6761=5...(7) HG3 GLU 69 - H LYS 47 lone 9 98 - 9 - 1996/1998=2, 6793/4.6=1 Peak 9034 from nnoeabs.peaks (0.88, 7.62, 118.85 ppm; 5.23 A): 4 out of 5 assignments used, quality = 0.87: QG2 ILE 76 + H GLU 48 OK 64 100 - 64 - 9038/4.0=12, 9046/4.6=10...(18) QD1 LEU 2 + H GLU 48 OK 38 100 - 38 - 9038/4.0=8, 8055/4.9=8...(7) HG13 ILE 8 + H GLU 48 OK 33 99 - 33 - 2.1/9036=7, 9038/4.0=6...(8) HG13 ILE 7 + H GLU 48 OK 15 90 - 17 - 3.2/9035=3, 9046/4.6=3 QD1 LEU 103 - H GLU 48 lone 3 65 - 5 - Peak 9035 from nnoeabs.peaks (0.80, 7.62, 118.85 ppm; 5.13 A): 6 out of 9 assignments used, quality = 0.88: QD1 ILE 76 + H GLU 48 OK 53 99 - 54 - 3.2/9034=13, 3450/3.0=8...(14) QG2 ILE 52 + H GLU 48 OK 39 70 - 56 - 3.1/9036=16, 9047/4.6=9...(11) QG2 ILE 8 + H GLU 48 OK 31 94 - 33 - 3.1/9034=7, 3.0/9036=6...(7) QG2 ILE 7 + H GLU 48 OK 18 100 - 18 - 3.2/9034=3, 9047/4.6=2...(6) QD2 LEU 2 + H GLU 48 OK 18 84 - 21 - 2.1/9034=9, 10430/4.9=3...(4) QD2 LEU 57 + H GLU 48 OK 12 100 - 12 - 9047/4.6=2, 10352/4.7=1 QD2 LEU 70 - H GLU 48 poor 9 87 - 11 - 10352/4.7=2 QG2 ILE 15 - H GLU 48 poor 8 81 - 10 - 10352/4.7=2, 4.4/6739=1 QD1 LEU 70 - H GLU 48 lone 4 57 - 7 - 10352/4.7=1 Peak 9036 from nnoeabs.peaks (0.70, 7.62, 118.85 ppm; 4.52 A): 5 out of 8 assignments used, quality = 0.83: QD1 ILE 52 + H GLU 48 OK 63 97 - 65 - 9149=14, 9173/3.0=11...(13) QD1 ILE 8 + H GLU 48 OK 22 96 - 23 - 2.1/9034=6, 3.0/9035=4...(6) QD2 LEU 14 + H GLU 48 OK 17 97 - 18 - ~9037=5, 8415/4.9=3...(5) QD1 LEU 42 + H GLU 48 OK 17 84 - 20 - 4.7/6679=3, 9048/4.6=2...(7) QD2 LEU 6 + H GLU 48 OK 16 77 - 21 - 8230/4.0=5, 9041/4.0=4...(6) QD1 ILE 56 - H GLU 48 lone 6 98 - 6 - QG1 VAL 58 - H GLU 48 lone 6 61 - 10 - ~9037=7 HG13 ILE 56 - H GLU 48 lone 3 84 - 4 - Peak 9046 from nnoeabs.peaks (0.89, 7.72, 114.22 ppm; 5.58 A): 4 out of 4 assignments used, quality = 0.89: QG2 ILE 76 + H SER 49 OK 66 100 - 67 - 9065/3.9=22, 9038/4.6=13...(10) HG13 ILE 8 + H SER 49 OK 38 100 - 37 - 9065/3.9=7, 3.1/9047=7...(8) QD1 LEU 2 + H SER 49 OK 34 99 - 35 - 9038/4.6=8, 9034/4.6=7...(10) HG13 ILE 7 + H SER 49 OK 21 97 - 21 - ~8264=4, 3.2/9047=3...(5) Peak 9047 from nnoeabs.peaks (0.79, 7.72, 114.22 ppm; 4.91 A): 6 out of 8 assignments used, quality = 0.93: QG2 ILE 52 + H SER 49 OK 74 94 - 79 - ~10646=17, 3.1/9150=14...(16) QD1 ILE 76 + H SER 49 OK 36 84 - 43 - 3.2/9046=11, 9035/4.6=6...(10) QG2 ILE 8 + H SER 49 OK 36 100 - 36 - 3.1/9046=6, 3.0/9048=5...(11) QG2 ILE 7 + H SER 49 OK 17 90 - 18 - 8264/2.9=4, 3.2/9046=4...(4) QD1 LEU 6 + H SER 49 OK 15 70 - 22 - 2.1/9048=5, ~9058=4...(6) QD2 LEU 57 + H SER 49 OK 13 96 - 13 - 2640/4.6=5, 9035/4.6=1 QD1 ILE 93 - H SER 49 poor 9 65 - 13 - 9039/4.6=2, 9066/3.9=2...(6) QD1 LEU 27 - H SER 49 lone 4 61 - 7 - 4.7/10489=1 Peak 9048 from nnoeabs.peaks (0.70, 7.72, 114.22 ppm; 5.20 A): 5 out of 7 assignments used, quality = 0.95: QD1 ILE 52 + H SER 49 OK 84 98 - 86 - 9172/2.9=24, 9150=20...(16) QD1 ILE 8 + H SER 49 OK 30 94 - 32 - 2.1/9046=8, 3.0/9047=7...(7) QD2 LEU 6 + H SER 49 OK 27 81 - 34 - 8230/4.6=6, 9058/2.9=5...(10) QD1 LEU 42 + H SER 49 OK 25 87 - 29 - 9058/2.9=6, 9067/3.9=4...(9) QD2 LEU 14 + H SER 49 OK 15 96 - 16 - 9036/4.6=3, ~9058=2, 9041/4.6=2 QD1 ILE 56 - H SER 49 lone 10 97 - 10 - 9036/4.6=1 HG13 ILE 56 - H SER 49 lone 4 81 - 5 - Peak 9076 from nnoeabs.peaks (7.48, 7.72, 114.22 ppm; 4.92 A): 3 out of 6 assignments used, quality = 0.73: H LYS 47 + H SER 49 OK 47 92 - 51 - 4.6/6795=22...(7) H ILE 52 + H SER 49 OK 42 87 - 49 - 9078/2.9=16, 4.8/9150=10...(7) HE ARG 46 + H SER 49 OK 11 87 - 13 - 6780/4.6=4, 6.5/12313=3...(4) H ARG 91 - H SER 49 poor 9 87 - 11 - 6780/4.6=5, 9030/4.6=2 HZ2 TRP 92 - H SER 49 lone 7 94 - 8 - 9078/2.9=3, 2374/9150=1 HD22 ASN 26 - H SER 49 lone 5 81 - 6 - 6780/4.6=1 Peak 9082 from nnoeabs.peaks (7.62, 6.92, 112.80 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 50 + HE21 GLN 50 OK 100 100 - 100 - 1.7=100 H GLU 48 - HE21 GLN 50 lone 6 96 - 7 - 9081/3.5=1, 9095/3.5=1 H LYS 40 - HE21 GLN 50 lone 2 94 - 2 - ~1768=1 HD22 ASN 10 - HE21 GLN 50 lone 1 65 - 1 - Peak 9083 from nnoeabs.peaks (6.92, 7.62, 112.80 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 50 + HE22 GLN 50 OK 100 100 - 100 - 1.7=100 Peak 9084 from nnoeabs.peaks (7.62, 7.62, 112.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 50 + HE22 GLN 50 OK 100 100 - 100 Peak 9085 from nnoeabs.peaks (8.55, 7.62, 112.80 ppm; 5.65 A): 2 out of 4 assignments used, quality = 0.97: * H GLN 50 + HE22 GLN 50 OK 93 100 - 93 - 6.6=63, 3.0/9096=29...(10) H ASN 51 + HE22 GLN 50 OK 63 87 - 73 - 3.6/9096=27, 6829/4.5=19...(6) H VAL 58 - HE22 GLN 50 OK 17 99 - 16 - 2297/3.5=3, 2305/3.5=3...(5) H LYS 12 - HE22 GLN 50 OK 12 73 - 16 - 2305/3.5=3, 2297/3.5=2...(6) Peak 9086 from nnoeabs.peaks (4.42, 7.62, 112.80 ppm; 5.73 A): 6 out of 9 assignments used, quality = 0.92: HA GLN 50 + HE22 GLN 50 OK 65 65 - 100 - 5.7=100 HA MET 21 + HE22 GLN 50 OK 42 99 - 42 - 3.0/9088=9, ~6824=8...(9) HA GLU 48 + HE22 GLN 50 OK 38 87 - 44 - 12314/6.6=11, 3.6/6797=7...(9) HA ILE 76 + HE22 GLN 50 OK 20 87 - 23 - 3.2/9091=8, ~9093=6, 4.2/9092=5 HA MET 74 + HE22 GLN 50 OK 14 84 - 17 - 10865/4.5=4, 2298/3.5=3...(6) HA VAL 32 + HE22 GLN 50 OK 12 99 - 12 - 3.2/9091=2, ~9094=2...(6) HA ALA 25 - HE22 GLN 50 lone 9 100 - 8 - 2298/3.5=1 HA HIS 106 - HE22 GLN 50 lone 7 94 - 7 - 2298/3.5=1 HA SER 9 - HE22 GLN 50 lone 5 84 - 6 - Peak 9087 from nnoeabs.peaks (2.43, 7.62, 112.80 ppm; 3.50 A): 1 out of 7 assignments used, quality = 0.98: * HG3 GLN 50 + HE22 GLN 50 OK 98 100 - 98 - 3.5=98, 3.7/9096=12, 5.1/9085=4 HG3 GLU 48 - HE22 GLN 50 OK 26 100 - 26 - 2251=4, 6825/1.7=4...(11) HG2 GLN 72 - HE22 GLN 50 OK 24 97 - 26 - 2302/3.5=5, 6825/1.7=4...(9) HG3 GLU 17 - HE22 GLN 50 OK 14 100 - 14 - 6825/1.7=2, 2251=2...(7) HG3 GLU 99 - HE22 GLN 50 lone 8 97 - 8 - 6825/1.7=1, 2302/3.5=1 HB2 ASP 11 - HE22 GLN 50 lone 8 100 - 7 - 6825/1.7=1, 374/6.6=1 HG3 MET 1 - HE22 GLN 50 lone 4 84 - 5 - Peak 9088 from nnoeabs.peaks (2.40, 7.62, 112.80 ppm; 3.57 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 50 + HE22 GLN 50 OK 100 100 - 100 - 3.5=100 HB3 MET 21 - HE22 GLN 50 OK 27 100 - 27 - 6824/1.7=6, 2285/4.5=4...(9) HG3 MET 21 - HE22 GLN 50 OK 23 100 - 24 - 6824/1.7=5, 2285/4.5=4...(8) HG3 MET 1 - HE22 GLN 50 lone 2 65 - 3 - Peak 9089 from nnoeabs.peaks (2.17, 7.62, 112.80 ppm; 5.27 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 50 + HE22 GLN 50 OK 100 100 - 100 - 4.5=100 HB2 GLN 72 - HE22 GLN 50 OK 38 90 - 43 - 2300/3.5=9, 3195/3.5=7...(9) HG3 GLU 75 - HE22 GLN 50 OK 18 100 - 18 - 9622/5.7=3, 6823/1.7=3...(7) HG2 GLU 75 - HE22 GLN 50 OK 18 100 - 18 - 9622/5.7=3, 6823/1.7=3...(7) HB3 GLU 16 - HE22 GLN 50 OK 17 94 - 19 - 2300/3.5=3, 6823/1.7=3...(6) HB3 GLU 75 - HE22 GLN 50 OK 10 77 - 13 - ~6823=2, 2276/5.7=2...(6) HG2 GLU 43 - HE22 GLN 50 lone 6 81 - 7 - 6823/1.7=1 HB3 GLU 95 - HE22 GLN 50 lone 3 73 - 4 - Peak 9090 from nnoeabs.peaks (2.02, 7.62, 112.80 ppm; 5.48 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLN 50 + HE22 GLN 50 OK 100 100 - 100 - 4.5=100 HB3 LYS 94 - HE22 GLN 50 OK 22 100 - 22 - 2299/3.5=5, 2275/5.7=3...(6) HB3 GLU 17 - HE22 GLN 50 OK 16 70 - 23 - 3.0/9087=4, 2299/3.5=4...(8) HB3 GLU 99 - HE22 GLN 50 OK 13 81 - 16 - 2299/3.5=3, 3.0/9087=2...(7) HG12 ILE 93 - HE22 GLN 50 OK 12 81 - 15 - 2299/3.5=4, 2307/3.5=3...(5) HB2 GLU 62 - HE22 GLN 50 lone 7 96 - 7 - 2299/3.5=1 HB2 GLU 35 - HE22 GLN 50 lone 6 73 - 9 - 8057/9092=1, 8053/9091=1 Peak 9091 from nnoeabs.peaks (0.89, 7.62, 112.80 ppm; 4.91 A): 3 out of 5 assignments used, quality = 0.77: QD1 LEU 2 + HE22 GLN 50 OK 65 98 - 66 - ~12038=26, 9093/1.7=21...(6) QG2 ILE 76 + HE22 GLN 50 OK 24 99 - 24 - 9093/1.7=7, 3.2/9092=5...(7) HG13 ILE 7 + HE22 GLN 50 OK 13 99 - 13 - 9093/1.7=4, 3.2/9092=3...(4) HG13 ILE 8 - HE22 GLN 50 lone 10 100 - 10 - 9093/1.7=3, 10629/4.5=2 QG1 VAL 32 - HE22 GLN 50 lone 5 61 - 9 - 3.2/9086=1, ~9094=1, ~6821=1 Peak 9092 from nnoeabs.peaks (0.81, 7.62, 112.80 ppm; 5.07 A): 5 out of 9 assignments used, quality = 0.83: QD2 LEU 2 + HE22 GLN 50 OK 68 100 - 69 - 12038/1.7=37...(7) QD1 ILE 76 + HE22 GLN 50 OK 23 98 - 24 - 3.2/9091=7, ~9093=4...(6) QG2 ILE 7 + HE22 GLN 50 OK 13 96 - 14 - 3.2/9091=4, ~9093=2...(5) QD2 LEU 70 + HE22 GLN 50 OK 11 100 - 11 - 10822/1676=2, ~9094=2 QD2 LEU 57 + HE22 GLN 50 OK 11 90 - 12 - ~9094=5, 2640/6.6=3 QD2 LEU 38 - HE22 GLN 50 poor 10 73 - 13 - 4.5/6592=3, 9098/3.5=3 QD1 LEU 70 - HE22 GLN 50 lone 9 94 - 10 - 9094/1.7=2, ~9094=1 QG2 ILE 15 - HE22 GLN 50 lone 6 100 - 6 - QD2 LEU 103 - HE22 GLN 50 lone 5 57 - 9 - ~9093=3, 9098/3.5=2, 9094/1.7=2 Peak 9093 from nnoeabs.peaks (0.88, 6.92, 112.80 ppm; 4.97 A): 4 out of 5 assignments used, quality = 0.77: QD1 LEU 2 + HE21 GLN 50 OK 64 100 - 64 - 2.1/12038=34...(5) QG2 ILE 76 + HE21 GLN 50 OK 21 100 - 21 - 9091/1.7=8, ~9092=3...(6) HG13 ILE 7 + HE21 GLN 50 OK 11 90 - 12 - 9091/1.7=4, 82/12038=3...(4) QD1 LEU 103 + HE21 GLN 50 OK 10 65 - 15 - 10626/3.5=4, 12293/4.5=3...(5) HG13 ILE 8 - HE21 GLN 50 lone 9 99 - 9 - 9091/1.7=3, 10629/4.5=3 Peak 9094 from nnoeabs.peaks (0.82, 6.92, 112.80 ppm; 4.67 A): 2 out of 10 assignments used, quality = 0.69: QD2 LEU 2 + HE21 GLN 50 OK 60 92 - 65 - 12038=31, 2.1/9093=19...(9) QD1 LEU 57 + HE21 GLN 50 OK 21 94 - 23 - 10212/9285=9...(5) QD1 ILE 76 - HE21 GLN 50 poor 10 65 - 15 - 3.2/9093=5, ~9091=4, 9092/1.7=4 QD2 LEU 38 - HE21 GLN 50 lone 9 99 - 9 - 9098/3.5=4, 9092/1.7=2 QD2 LEU 103 - HE21 GLN 50 lone 8 96 - 9 - 9098/3.5=3, 2.1/9093=3 QD1 LEU 70 - HE21 GLN 50 lone 7 100 - 7 - ~9092=2, 9092/1.7=2 QG2 VAL 32 - HE21 GLN 50 lone 6 84 - 7 - 9098/3.5=1, 3.2/6821=1...(4) QG2 ILE 7 - HE21 GLN 50 lone 6 57 - 10 - 3.2/9093=3, ~9091=2...(4) QD2 LEU 70 - HE21 GLN 50 lone 5 90 - 6 - 9092/1.7=2, ~9092=2 QG2 ILE 15 - HE21 GLN 50 lone 3 94 - 4 - Peak 9097 from nnoeabs.peaks (7.62, 8.55, 120.13 ppm; 5.63 A): 2 out of 4 assignments used, quality = 0.99: * HE22 GLN 50 + H GLN 50 OK 93 100 - 93 - 6.6=62, 9096/3.0=29...(11) H GLU 48 + H GLN 50 OK 82 96 - 85 - 10189/3.6=33...(12) H LYS 40 - H GLN 50 OK 21 94 - 23 - 9080/4.3=5, 2.9/6811=4...(7) HD22 ASN 10 - H GLN 50 OK 11 65 - 17 - 6797/4.6=4, 9079/4.3=2...(7) Peak 9104 from nnoeabs.peaks (0.80, 8.55, 120.13 ppm; 5.88 A): 6 out of 9 assignments used, quality = 0.95: QD2 LEU 57 + H GLN 50 OK 57 100 - 57 - 2640=12, 2.1/2632=9...(11) QG2 ILE 52 + H GLN 50 OK 44 70 - 63 - 9047/4.6=11, 9066/4.3=11...(15) QD2 LEU 2 + H GLN 50 OK 34 84 - 41 - 12038/6.6=14...(5) QD1 ILE 76 + H GLN 50 OK 33 99 - 34 - 9668/4.3=10, 9639/4.3=8...(6) QG2 ILE 8 + H GLN 50 OK 31 94 - 33 - 4.0/11112=6, 9047/4.6=5...(11) QG2 ILE 7 + H GLN 50 OK 28 100 - 28 - 8264/3.6=6, 4.4/11112=5...(9) QG2 ILE 15 - H GLN 50 OK 14 81 - 17 - 3.0/8438=7, 10121/4.3=4 QD2 LEU 70 - H GLN 50 lone 8 87 - 9 - 9092/6.6=1 QD1 LEU 70 - H GLN 50 lone 4 57 - 7 - 9092/6.6=1 Peak 9105 from nnoeabs.peaks (1.68, 8.53, 118.16 ppm; 5.73 A): 9 out of 16 assignments used, quality = 0.93: HB ILE 52 + H ASN 51 OK 62 96 - 65 - 3.8/6839=41, 2.1/9107=21...(6) HG3 LYS 20 + H ASN 51 OK 26 99 - 27 - 3.7/9109=7, 903/5.7=6...(5) HB3 ARG 91 + H ASN 51 OK 25 99 - 26 - 3.5/6836=6, ~2316=4...(7) HB3 LYS 53 + H ASN 51 OK 20 97 - 21 - 4.4/11125=8, 6860/4.6=3...(5) HD2 LYS 20 + H ASN 51 OK 20 100 - 20 - 5.3/9109=5, 2.8/9106=4...(6) HD3 LYS 20 + H ASN 51 OK 20 99 - 20 - 5.3/9109=5, 2.8/9106=4...(5) HB3 LYS 40 + H ASN 51 OK 14 99 - 14 - 3.0/9108=4, 3.5/9106=2...(4) HD2 LYS 73 + H ASN 51 OK 13 90 - 14 - 3.0/6835=3, 3.0/6835=3...(4) HD3 LYS 73 + H ASN 51 OK 12 84 - 14 - 3.0/6835=3, 3.0/6835=3...(4) HD2 LYS 47 - H ASN 51 lone 6 100 - 6 - HD3 LYS 47 - H ASN 51 lone 6 100 - 6 - HG12 ILE 15 - H ASN 51 lone 5 77 - 6 - 2.1/9107=2 HD3 LYS 90 - H ASN 51 lone 4 65 - 6 - 3.0/6835=1 HG2 PRO 86 - H ASN 51 lone 3 81 - 4 - HD2 LYS 24 - H ASN 51 lone 3 70 - 4 - HD3 LYS 24 - H ASN 51 lone 2 65 - 4 - Peak 9106 from nnoeabs.peaks (1.47, 8.53, 118.16 ppm; 5.60 A): 11 out of 14 assignments used, quality = 0.90: HG13 ILE 52 + H ASN 51 OK 49 87 - 56 - 5.1/6839=32, 3.2/9107=18...(6) HG2 LYS 20 + H ASN 51 OK 23 87 - 27 - 3.7/9109=7, 1.8/9105=4...(8) HD2 LYS 82 + H ASN 51 OK 21 92 - 22 - 2.9/10927=7, 5.1/11123=6 HB2 ARG 91 + H ASN 51 OK 17 70 - 24 - 3.5/6836=6, 12239/5.7=5...(5) HG3 ARG 91 + H ASN 51 OK 16 70 - 23 - 2.9/6836=6, ~2316=5...(6) HG2 LYS 53 + H ASN 51 OK 13 98 - 14 - 3.0/9105=3, 6863/4.6=2...(4) HD2 LYS 53 + H ASN 51 OK 13 92 - 14 - 3.6/9105=3, 9212/5.7=2...(4) HG LEU 38 + H ASN 51 OK 12 92 - 13 - 2366/4.6=4, 3.7/9108=2 HG3 LYS 53 + H ASN 51 OK 12 100 - 12 - 3.0/9105=3, 6863/4.6=2...(4) HD2 LYS 40 + H ASN 51 OK 12 99 - 12 - 5.2/9108=3, 3.5/9105=2 HD3 LYS 40 + H ASN 51 OK 12 99 - 12 - 5.2/9108=3, 3.5/9105=2 HB2 LEU 38 - H ASN 51 poor 10 81 - 12 - 3.0/9108=2, 6863/4.6=2 HB2 LEU 27 - H ASN 51 lone 8 87 - 9 - 3.1/9107=2, 6863/4.6=1 HG LEU 64 - H ASN 51 lone 8 90 - 8 - 2.1/10755=3 Peak 9107 from nnoeabs.peaks (0.78, 8.53, 118.16 ppm; 4.64 A): 3 out of 8 assignments used, quality = 0.74: QG2 ILE 52 + H ASN 51 OK 61 100 - 62 - 4.0/6839=30, 10202=9...(13) QD1 ILE 93 + H ASN 51 OK 18 98 - 19 - 2.1/6829=3, 10024/4.0=3...(8) QG2 ILE 8 + H ASN 51 OK 18 90 - 20 - 6861/4.6=4, 10636/4.0=3...(7) QD2 LEU 42 - H ASN 51 poor 10 94 - 10 - 6861/4.6=4 QG1 VAL 54 - H ASN 51 poor 9 81 - 12 - 4.0/11125=6, 6861/4.6=1 QD1 LEU 6 - H ASN 51 lone 8 99 - 8 - 6861/4.6=3, 10636/4.0=1 QD1 LEU 27 - H ASN 51 lone 7 97 - 8 - 6861/4.6=1, 10485/4.6=1 QD1 ILE 15 - H ASN 51 lone 7 73 - 9 - 8438/4.6=2, 8447/9110=2 Peak 9108 from nnoeabs.peaks (3.86, 8.53, 118.16 ppm; 5.28 A): 4 out of 9 assignments used, quality = 0.66: HB3 SER 49 + H ASN 51 OK 50 98 - 52 - 3.0/9110=29, 1.8/9109=18...(5) HA LYS 94 + H ASN 51 OK 13 100 - 13 - 3.0/6829=4, 4173/4.6=3 HA LYS 40 + H ASN 51 OK 13 100 - 13 - 6811/4.6=3, 3.0/9105=2...(4) HA ALA 67 + H ASN 51 OK 11 94 - 12 - 3.0/11125=7, 6811/4.6=1 HA LYS 12 - H ASN 51 lone 8 96 - 9 - 380/4.6=4 HA LEU 38 - H ASN 51 lone 7 90 - 8 - 3.7/9106=2, 3.0/9106=1 HA2 GLY 100 - H ASN 51 lone 4 100 - 4 - HA2 GLY 101 - H ASN 51 lone 4 100 - 4 - HA ALA 71 - H ASN 51 lone 3 70 - 4 - Peak 9109 from nnoeabs.peaks (4.07, 8.53, 118.16 ppm; 5.70 A): 3 out of 5 assignments used, quality = 0.75: HB2 SER 49 + H ASN 51 OK 60 96 - 63 - 3.0/9110=32, 1.8/9108=20...(6) HA LYS 20 + H ASN 51 OK 25 81 - 31 - 3.6/6838=13, 3.7/9105=4...(8) HA GLU 17 + H ASN 51 OK 16 84 - 20 - 6810/4.6=4, 3.9/6832=4...(4) HA LYS 66 - H ASN 51 poor 9 87 - 11 - 3.6/11125=7 HA ARG 46 - H ASN 51 lone 7 96 - 7 - 6810/4.6=1 Peak 9110 from nnoeabs.peaks (4.26, 8.53, 118.16 ppm; 4.80 A): 2 out of 2 assignments used, quality = 0.57: HA SER 49 + H ASN 51 OK 49 81 - 61 - 2262/4.6=13, 3.0/9109=13...(11) HB THR 31 + H ASN 51 OK 16 65 - 24 - 3.9/11125=12...(3) Peak 9117 from nnoeabs.peaks (2.41, 6.98, 112.98 ppm; 5.53 A): 3 out of 8 assignments used, quality = 0.97: HG3 MET 1 + HD21 ASN 51 OK 75 98 - 76 - 3.3/8038=21, 4.2/9130=18...(13) HB3 MET 21 + HD21 ASN 51 OK 66 84 - 79 - ~960=14, ~977=13...(20) HG3 MET 21 + HD21 ASN 51 OK 65 87 - 76 - ~977=16, 1.8/6843=12...(18) HG3 GLU 48 - HD21 ASN 51 OK 37 70 - 53 - ~9123=18, ~9114=14...(8) HG2 GLN 50 - HD21 ASN 51 OK 29 87 - 33 - 2304/5.7=11, 5.1/6841=7...(6) HG3 GLN 50 - HD21 ASN 51 OK 18 61 - 29 - 5.1/6841=7, 3.7/9129=5...(7) HG3 GLU 17 - HD21 ASN 51 OK 16 70 - 23 - 3.0/9118=4, 10633/3.5=3...(11) HG2 GLN 72 - HD21 ASN 51 poor 10 87 - 11 - 3.9/9130=2, 10633/3.5=2...(5) Peak 9118 from nnoeabs.peaks (2.00, 6.98, 112.98 ppm; 5.13 A): 4 out of 9 assignments used, quality = 0.93: HB3 MET 1 + HD21 ASN 51 OK 82 100 - 82 - 3.0/9130=18, ~8006=16...(15) HB2 GLU 44 + HD21 ASN 51 OK 28 99 - 28 - 9111/3.5=6, ~9111=4...(8) HB3 GLU 44 + HD21 ASN 51 OK 28 99 - 28 - 9111/3.5=6, ~9111=4...(8) HB2 GLN 50 + HD21 ASN 51 OK 25 61 - 41 - 4.6/6841=16, 4.0/6841=7...(11) HB3 GLU 17 - HD21 ASN 51 OK 20 100 - 20 - 9111/3.5=4, 9124/1.7=2...(10) QE MET 74 - HD21 ASN 51 OK 16 100 - 16 - 9606/10886=2, 9124/1.7=2...(6) HB2 GLU 35 - HD21 ASN 51 lone 9 100 - 9 - 8053/10127=1, 9111/3.5=1 HB2 GLU 62 - HD21 ASN 51 lone 3 90 - 4 - 2735/11073=1 HB3 LYS 94 - HD21 ASN 51 lone 3 65 - 5 - Peak 9119 from nnoeabs.peaks (1.50, 6.98, 112.98 ppm; 5.23 A): 6 out of 13 assignments used, quality = 0.85: HG LEU 2 + HD21 ASN 51 OK 56 87 - 64 - 2.1/10127=22...(9) HG LEU 57 + HD21 ASN 51 OK 30 100 - 30 - 2.1/9121=9, 9125/1.7=7...(6) HB2 ARG 91 + HD21 ASN 51 OK 27 70 - 38 - 3.5/6844=8, ~6850=5...(13) HG2 LYS 73 + HD21 ASN 51 OK 15 90 - 16 - 9125/1.7=3, ~10634=3...(4) HB ILE 7 + HD21 ASN 51 OK 14 61 - 23 - 2.9/9120=5, 9125/1.7=4...(8) HG3 LYS 13 + HD21 ASN 51 OK 10 98 - 10 - 3.9/9130=3, 9125/1.7=2 HG3 LYS 24 - HD21 ASN 51 lone 7 99 - 7 - 9125/1.7=1 HG2 LYS 47 - HD21 ASN 51 lone 7 87 - 8 - 3.9/9130=2 HB2 LEU 14 - HD21 ASN 51 lone 4 61 - 7 - ~10413=2, 9125/1.7=1 HG3 LYS 66 - HD21 ASN 51 lone 4 92 - 4 - HG2 LYS 66 - HD21 ASN 51 lone 4 87 - 4 - HG3 LYS 33 - HD21 ASN 51 lone 3 100 - 3 - HB3 LEU 64 - HD21 ASN 51 lone 3 84 - 3 - Peak 9120 from nnoeabs.peaks (0.90, 6.98, 112.98 ppm; 5.27 A): 4 out of 5 assignments used, quality = 0.79: QD1 LEU 2 + HD21 ASN 51 OK 46 73 - 63 - 2.1/10128=19...(8) QG2 ILE 76 + HD21 ASN 51 OK 39 77 - 50 - 9126/1.7=13, ~10634=12...(12) HG13 ILE 7 + HD21 ASN 51 OK 20 99 - 20 - 9126/1.7=7, ~9125=3...(7) QG1 VAL 32 + HD21 ASN 51 OK 20 94 - 21 - 2.1/9121=6, 9126/1.7=6...(5) HG13 ILE 8 - HD21 ASN 51 poor 10 90 - 11 - 9126/1.7=3, ~10636=2, ~9116=2 Peak 9121 from nnoeabs.peaks (0.83, 6.98, 112.98 ppm; 6.02 A): 3 out of 7 assignments used, quality = 0.70: QD2 LEU 2 + HD21 ASN 51 OK 39 57 - 69 - 2.1/10127=30, ~9125=15...(8) QD1 LEU 57 + HD21 ASN 51 OK 34 100 - 34 - 2.1/9119=8, ~9125=6...(8) QG2 VAL 32 + HD21 ASN 51 OK 24 100 - 24 - 2.1/9120=7, ~9126=6...(5) QD2 LEU 38 - HD21 ASN 51 lone 7 98 - 7 - ~10631=2, ~9169=1 QD2 LEU 103 - HD21 ASN 51 lone 6 100 - 6 - QD1 LEU 70 - HD21 ASN 51 lone 6 84 - 7 - ~9127=1 QG2 ILE 15 - HD21 ASN 51 lone 3 61 - 4 - Peak 9122 from nnoeabs.peaks (2.40, 7.68, 112.98 ppm; 6.23 A): 3 out of 4 assignments used, quality = 0.99: HB3 MET 21 + HD22 ASN 51 OK 84 100 - 84 - 3.0/977=18, 1.8/960=15...(21) HG3 MET 21 + HD22 ASN 51 OK 80 100 - 80 - 1.8/977=18, 3.0/960=15...(19) HG3 MET 1 + HD22 ASN 51 OK 53 65 - 82 - 3.3/8036=25, 4.2/8001=22...(11) HG2 GLN 50 - HD22 ASN 51 OK 44 100 - 44 - 2304/5.7=17, 5.1/6847=9...(7) Peak 9123 from nnoeabs.peaks (2.32, 7.68, 112.98 ppm; 5.61 A): 0 out of 5 assignments used, low quality = 0.34: HG2 GLU 48 - HD22 ASN 51 OK 34 81 - 43 - ~9114=14, ~10632=14...(7) HG2 GLU 16 - HD22 ASN 51 poor 8 61 - 13 - ~10632=5, ~9114=5 HG3 GLU 43 - HD22 ASN 51 lone 7 100 - 7 - 8055/9126=1, 10606/9127=1 HB2 TYR 41 - HD22 ASN 51 lone 6 99 - 6 - 9114/3.5=2 HD3 ARG 81 - HD22 ASN 51 lone 4 90 - 5 - 9114/3.5=1 Peak 9124 from nnoeabs.peaks (1.99, 7.68, 112.98 ppm; 5.33 A): 4 out of 9 assignments used, quality = 0.95: HB3 MET 1 + HD22 ASN 51 OK 80 94 - 85 - 3.0/8001=20, 4.2/8036=17...(14) QE MET 1 + HD22 ASN 51 OK 48 70 - 69 - 8032/4.4=18, 8036=14...(10) HB3 GLU 44 + HD22 ASN 51 OK 30 97 - 31 - 9111/3.5=6, ~9111=5...(9) HB2 GLU 44 + HD22 ASN 51 OK 30 97 - 31 - 9111/3.5=6, ~9111=5...(9) HB3 GLU 17 - HD22 ASN 51 OK 17 84 - 20 - 9111/3.5=4, 9118/1.7=3...(9) QE MET 74 - HD22 ASN 51 OK 16 96 - 17 - 9118/1.7=2, 9111/3.5=2...(6) HB2 GLU 35 - HD22 ASN 51 lone 6 81 - 7 - 9118/1.7=1, 9111/3.5=1...(4) HB2 GLU 37 - HD22 ASN 51 lone 4 73 - 5 - HB2 ARG 46 - HD22 ASN 51 lone 2 61 - 3 - Peak 9125 from nnoeabs.peaks (1.51, 7.68, 112.98 ppm; 5.30 A): 4 out of 14 assignments used, quality = 0.86: HG LEU 2 + HD22 ASN 51 OK 71 98 - 73 - ~10128=22, ~10127=19...(11) HG LEU 57 + HD22 ASN 51 OK 31 96 - 32 - ~9121=7, 9119/1.7=6...(8) HB ILE 7 + HD22 ASN 51 OK 19 84 - 23 - 2.9/9126=6, ~9120=4...(6) HG2 LYS 73 + HD22 ASN 51 OK 12 70 - 17 - 9119/1.7=3, ~10634=3...(4) HG3 LYS 13 - HD22 ASN 51 lone 7 87 - 8 - 9119/1.7=2 HG3 LYS 24 - HD22 ASN 51 lone 7 100 - 7 - 9119/1.7=2 HB2 LEU 14 - HD22 ASN 51 lone 6 84 - 7 - 3.1/10413=2 HB3 LEU 103 - HD22 ASN 51 lone 4 81 - 5 - ~9121=1 HG2 LYS 47 - HD22 ASN 51 lone 4 65 - 7 - 9119/1.7=1 HG LEU 6 - HD22 ASN 51 lone 3 73 - 5 - ~10636=1 HG3 LYS 66 - HD22 ASN 51 lone 3 73 - 4 - HG3 LYS 33 - HD22 ASN 51 lone 3 99 - 3 - HG2 LYS 66 - HD22 ASN 51 lone 3 65 - 4 - HB3 LEU 64 - HD22 ASN 51 lone 3 61 - 4 - Peak 9126 from nnoeabs.peaks (0.90, 7.68, 112.98 ppm; 4.99 A): 4 out of 5 assignments used, quality = 0.76: QD1 LEU 2 + HD22 ASN 51 OK 44 73 - 60 - ~10128=20, 2.1/9125=14...(8) QG2 ILE 76 + HD22 ASN 51 OK 37 77 - 47 - ~10634=11, 9120/1.7=11...(11) HG13 ILE 7 + HD22 ASN 51 OK 19 99 - 19 - 9120/1.7=6, 2.9/9125=3...(5) QG1 VAL 32 + HD22 ASN 51 OK 18 94 - 19 - 9120/1.7=6, ~9121=5...(5) HG13 ILE 8 - HD22 ASN 51 poor 9 90 - 10 - 9120/1.7=3, ~10636=2, ~9116=2 Peak 9127 from nnoeabs.peaks (0.81, 7.68, 112.98 ppm; 5.59 A): 5 out of 10 assignments used, quality = 0.94: QD2 LEU 2 + HD22 ASN 51 OK 77 100 - 77 - 10128/1.7=32, ~10127=21...(10) QD1 ILE 76 + HD22 ASN 51 OK 47 92 - 51 - ~10886=12, 3.2/9126=11...(9) QD2 LEU 57 + HD22 ASN 51 OK 26 77 - 33 - ~9121=8, 2.1/9125=7...(8) QG2 ILE 7 + HD22 ASN 51 OK 23 87 - 26 - 3.2/9126=6, 2.1/9125=5...(6) QD1 LEU 57 + HD22 ASN 51 OK 19 70 - 28 - 2.1/9125=7, ~9119=5...(6) QD2 LEU 70 - HD22 ASN 51 lone 7 100 - 7 - ~9121=1 QG2 ILE 15 - HD22 ASN 51 lone 7 100 - 7 - 10415/6292=1 QD2 LEU 38 - HD22 ASN 51 lone 6 87 - 7 - ~10631=1 QD1 LEU 70 - HD22 ASN 51 lone 6 99 - 6 - QD2 LEU 103 - HD22 ASN 51 lone 4 73 - 6 - Peak 9128 from nnoeabs.peaks (4.41, 7.68, 112.98 ppm; 6.01 A): 3 out of 9 assignments used, quality = 0.96: HA MET 21 + HD22 ASN 51 OK 87 100 - 87 - 3.9/977=16, 3.0/960=15...(22) HA GLN 50 + HD22 ASN 51 OK 52 87 - 61 - 3.6/6847=24, 3.0/6847=12...(10) HA GLU 48 + HD22 ASN 51 OK 35 65 - 53 - 4.1/9123=19, ~9114=16...(5) HA ILE 76 - HD22 ASN 51 OK 34 65 - 52 - ~10634=13, 3.2/9126=12...(7) HA VAL 32 - HD22 ASN 51 OK 30 100 - 30 - 3.2/9126=6, ~9121=6...(6) HA MET 74 - HD22 ASN 51 OK 14 97 - 14 - 5.3/9124=2, 12284/3.5=2...(4) HA ALA 25 - HD22 ASN 51 OK 12 100 - 13 - 9129/1.7=1, 12284/3.5=1...(4) HA HIS 106 - HD22 ASN 51 lone 10 100 - 9 - 9129/1.7=1 HA SER 9 - HD22 ASN 51 lone 4 61 - 7 - 9129/1.7=1, 12284/3.5=1 Peak 9129 from nnoeabs.peaks (4.42, 6.98, 112.98 ppm; 5.46 A): 5 out of 9 assignments used, quality = 0.95: HA MET 21 + HD21 ASN 51 OK 73 99 - 74 - 948/1.7=12, ~960=11...(18) HA ILE 76 + HD21 ASN 51 OK 41 87 - 47 - ~10634=11, 3.2/9120=10...(8) HA GLN 50 + HD21 ASN 51 OK 35 65 - 54 - 3.6/6841=21, 3.0/6841=9...(10) HA GLU 48 + HD21 ASN 51 OK 35 87 - 41 - ~9114=13, ~10632=13...(6) HA VAL 32 + HD21 ASN 51 OK 25 99 - 25 - 3.2/9121=6, 3.2/9120=5...(5) HA MET 74 - HD21 ASN 51 lone 8 84 - 10 - 5.3/9118=2, 9128/1.7=2 HA ALA 25 - HD21 ASN 51 lone 7 100 - 7 - 9128/1.7=1 HA SER 9 - HD21 ASN 51 lone 6 84 - 7 - HA HIS 106 - HD21 ASN 51 lone 5 94 - 6 - 9128/1.7=1 Peak 9130 from nnoeabs.peaks (4.15, 6.98, 112.98 ppm; 5.73 A): 4 out of 6 assignments used, quality = 0.88: HA MET 1 + HD21 ASN 51 OK 82 94 - 88 - 8003/4.4=31, 8006/3.5=30...(13) HA LYS 13 + HD21 ASN 51 OK 13 98 - 13 - 9134/3.5=3, 3.9/9119=2 HA GLU 23 + HD21 ASN 51 OK 11 100 - 11 - ~6359=6, 9134/3.5=2, 9131/3.5=1 HA GLN 72 + HD21 ASN 51 OK 11 98 - 11 - 9131/3.5=2, 9134/3.5=2 HA LYS 47 - HD21 ASN 51 lone 8 99 - 8 - 3.9/9119=1, 37/8038=1 HB2 SER 59 - HD21 ASN 51 lone 5 92 - 5 - 9131/3.5=1, 9134/3.5=1 Peak 9137 from nnoeabs.peaks (6.45, 7.49, 117.93 ppm; 5.53 A): 4 out of 4 assignments used, quality = 0.91: HE1 TYR 4 + H ILE 52 OK 49 100 - 49 - 8156/5.1=10, 9142/3.8=10...(9) HE2 TYR 4 + H ILE 52 OK 49 100 - 49 - 9142/3.8=10, 8156/5.1=10...(9) HD1 TYR 4 + H ILE 52 OK 41 87 - 47 - 9143/4.0=11, 9148/4.8=10...(8) HD2 TYR 4 + H ILE 52 OK 40 87 - 46 - 9143/4.0=11, 9148/4.8=9...(8) Peak 9139 from nnoeabs.peaks (4.42, 7.49, 117.93 ppm; 4.94 A): 4 out of 8 assignments used, quality = 0.64: HA GLU 48 + H ILE 52 OK 28 96 - 30 - 9163/4.0=8, 3.6/9076=8...(7) HA MET 21 + H ILE 52 OK 23 94 - 25 - 12284/4.6=7, 952/4.6=6...(6) HA VAL 32 + H ILE 52 OK 19 94 - 20 - 3.0/6865=5, 3.2/9153=5...(6) HA ILE 76 + H ILE 52 OK 18 96 - 19 - 12284/4.6=4, 9132/4.6=4...(6) HA SER 9 - H ILE 52 lone 7 94 - 8 - 9163/4.0=2, 8317/4.8=1 HA MET 74 - H ILE 52 lone 5 70 - 7 - 5.3/9154=2, ~9159=1 HA ALA 25 - H ILE 52 lone 4 97 - 5 - HA HIS 106 - H ILE 52 lone 3 84 - 3 - Peak 9153 from nnoeabs.peaks (0.90, 7.49, 117.93 ppm; 5.03 A): 5 out of 5 assignments used, quality = 0.83: QD1 LEU 2 + H ILE 52 OK 53 73 - 72 - ~10356=22, 8049/3.0=19...(12) HG13 ILE 8 + H ILE 52 OK 31 90 - 35 - 10640/4.8=8, 3.1/6861=6...(9) QG1 VAL 32 + H ILE 52 OK 22 94 - 23 - 3.2/9139=6, 4.0/6865=4...(7) HG13 ILE 7 + H ILE 52 OK 21 99 - 21 - 265/4.4=6, 4.5/6865=5...(5) QG2 ILE 76 + H ILE 52 OK 17 77 - 22 - 10640/4.8=6, 3.2/9139=6...(5) Peak 9154 from nnoeabs.peaks (1.99, 7.49, 117.93 ppm; 4.63 A): 3 out of 9 assignments used, quality = 0.83: QE MET 1 + H ILE 52 OK 67 90 - 75 - 8032/3.6=27, 8037=27...(11) HB3 MET 1 + H ILE 52 OK 41 77 - 53 - 4.2/8037=17, ~8004=10...(8) QE MET 74 + H ILE 52 OK 12 81 - 15 - 9600/3.8=3, 9605/4.8=2...(6) HB2 GLU 37 - H ILE 52 lone 8 92 - 9 - 8837/4.0=2, 9159/3.0=2 HB3 GLU 44 - H ILE 52 lone 7 84 - 9 - 9111/4.6=3, 9115/4.6=3 HB2 GLU 44 - H ILE 52 lone 7 84 - 9 - 9111/4.6=3, 9115/4.6=3 HB3 GLU 17 - H ILE 52 lone 5 61 - 8 - 9111/4.6=2, 39/8037=2...(4) HB2 ARG 46 - H ILE 52 lone 4 84 - 5 - 9159/3.0=2 HB2 LYS 47 - H ILE 52 lone 3 61 - 4 - 9159/3.0=1 Peak 9178 from nnoeabs.peaks (5.13, 8.47, 123.25 ppm; 3.79 A): 3 out of 4 assignments used, quality = 0.90: HA LEU 3 + H LYS 53 OK 74 100 - 75 - 3.9/9182=22, 8064=20...(15) HA ILE 7 + H LYS 53 OK 38 100 - 38 - 233=7, 3.0/249=4...(13) HA TYR 4 + H LYS 53 OK 36 84 - 42 - 3.0/11098=16, 9202/3.9=5...(10) HA SER 85 - H LYS 53 lone 10 98 - 9 - 9203/3.9=2, 9202/3.9=2 Peak 9179 from nnoeabs.peaks (2.44, 8.47, 123.25 ppm; 5.88 A): 5 out of 7 assignments used, quality = 0.70: HG3 MET 1 + H LYS 53 OK 38 70 - 55 - 1.8/9180=18, 3.0/9185=14...(11) HG3 GLU 48 + H LYS 53 OK 20 98 - 20 - 9043/4.3=10, 9175/2381=3 HG3 GLU 17 + H LYS 53 OK 18 98 - 19 - 3.0/9185=5, 8099/9182=2...(6) HG3 GLN 50 + H LYS 53 OK 15 99 - 15 - 9100/4.3=8, 2.9/9185=2 HG3 GLU 99 + H LYS 53 OK 14 100 - 14 - 1.8/9180=4, 8095/9181=3...(4) HG2 GLN 72 - H LYS 53 lone 9 90 - 10 - 9100/4.3=2, 8099/9182=1 HB2 ASP 11 - H LYS 53 lone 6 100 - 6 - Peak 9180 from nnoeabs.peaks (2.21, 8.47, 123.25 ppm; 5.67 A): 2 out of 8 assignments used, quality = 0.46: HG2 MET 1 + H LYS 53 OK 38 73 - 52 - 3.0/9185=14, 8034/3.6=13...(11) HB2 GLU 95 + H LYS 53 OK 13 92 - 14 - 4.0/11098=6, 9160/3.6=2...(4) HG2 GLU 99 - H LYS 53 lone 9 97 - 9 - 1.8/9179=5, 8100/9182=2 HB2 GLU 63 - H LYS 53 poor 8 70 - 12 - 10744/4.3=4, 9160/3.6=2 HG3 PRO 86 - H LYS 53 poor 8 61 - 13 - 8100/9182=2, 9160/3.6=1 HG2 GLU 35 - H LYS 53 poor 7 65 - 11 - 2.9/9185=3, 9160/3.6=1 HG3 GLU 35 - H LYS 53 poor 7 65 - 11 - 2.9/9185=3, 9160/3.6=1 HG2 GLU 98 - H LYS 53 lone 4 100 - 4 - Peak 9181 from nnoeabs.peaks (0.47, 8.47, 123.25 ppm; 5.35 A): 1 out of 1 assignment used, quality = 0.84: QD1 LEU 3 + H LYS 53 OK 84 92 - 91 - 2.1/9182=49, 2.1/9184=21...(20) Peak 9182 from nnoeabs.peaks (0.27, 8.47, 123.25 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.75: QD2 LEU 3 + H LYS 53 OK 75 92 - 82 - 2.1/9181=20, 8078=17...(20) Peak 9183 from nnoeabs.peaks (1.17, 8.47, 123.25 ppm; 5.57 A): 3 out of 4 assignments used, quality = 0.74: HB2 LEU 6 + H LYS 53 OK 55 96 - 57 - 3.1/224=10, 3.1/232=10...(12) HB2 LEU 29 + H LYS 53 OK 25 87 - 29 - ~9200=6, 3.1/1303=4...(10) HG2 LYS 40 + H LYS 53 OK 22 81 - 27 - 1809/3.9=3, 2.9/6876=3...(13) QG2 THR 34 - H LYS 53 lone 9 100 - 9 - 8768/6069=1, 8755/216=1 Peak 9184 from nnoeabs.peaks (1.32, 8.47, 123.25 ppm; 4.95 A): 3 out of 4 assignments used, quality = 0.71: HG LEU 3 + H LYS 53 OK 53 61 - 86 - 2.1/9182=47, 2.1/9181=34...(16) HB3 LEU 42 + H LYS 53 OK 22 77 - 29 - 9158/3.6=6, 3.1/6873=5...(8) HB3 LEU 2 + H LYS 53 OK 21 77 - 27 - 9158/3.6=13, 8052/6871=4...(6) QB ALA 67 - H LYS 53 poor 9 61 - 15 - 4.9/12278=2, 3.6/7103=2...(5) Peak 9185 from nnoeabs.peaks (2.00, 8.47, 123.25 ppm; 5.61 A): 4 out of 9 assignments used, quality = 0.64: HB3 MET 1 + H LYS 53 OK 43 100 - 43 - 3.0/9180=14...(7) QE MET 74 + H LYS 53 OK 18 100 - 18 - 9600/4.5=5, 9604/4.3=3...(5) HB3 GLU 17 + H LYS 53 OK 15 100 - 15 - 3.0/9179=5, 10428/4.3=1 HB2 GLU 35 + H LYS 53 OK 11 100 - 11 - 2.9/9180=3, 2.9/9180=3 HB3 GLU 44 - H LYS 53 lone 6 99 - 6 - HB2 GLU 44 - H LYS 53 lone 6 99 - 6 - HB3 LYS 94 - H LYS 53 lone 6 65 - 9 - 4.6/11098=5 HB2 GLN 50 - H LYS 53 lone 5 61 - 8 - 2.9/9179=4, 9103/2381=1 HB2 GLU 62 - H LYS 53 lone 3 90 - 3 - Peak 9208 from nnoeabs.peaks (6.46, 8.47, 123.25 ppm; 5.14 A): 0 out of 2 assignments used, low quality = 0.44: HE2 TYR 4 - H LYS 53 OK 26 77 - 34 - 7.4/11098=10, 9142/4.5=6...(10) HE1 TYR 4 - H LYS 53 OK 24 70 - 34 - 7.6/11098=10, 9142/4.5=6...(11) Peak 9218 from nnoeabs.peaks (6.97, 8.49, 120.76 ppm; 5.21 A): 4 out of 4 assignments used, quality = 0.85: HE2 PHE 96 + H VAL 54 OK 51 77 - 66 - 2.5/9219=30, ~9221=19...(10) HE1 PHE 96 + H VAL 54 OK 46 70 - 66 - 2.5/9219=30, ~9221=19...(10) HD21 ASN 10 + H VAL 54 OK 31 94 - 33 - 9291/4.6=23, 5.6/6899=5 HD21 ASN 51 + H VAL 54 OK 17 100 - 17 - 5.7/11125=5, 9291/4.6=4 Peak 9219 from nnoeabs.peaks (7.07, 8.49, 120.76 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.76: HZ PHE 96 + H VAL 54 OK 69 92 - 75 - 9221/3.0=25, 9205/4.4=25...(11) HZ3 TRP 92 + H VAL 54 OK 22 94 - 23 - 9292/4.6=9, 9221/3.0=8...(4) Peak 9241 from nnoeabs.peaks (2.63, 8.49, 120.76 ppm; 5.81 A): 3 out of 4 assignments used, quality = 0.89: HB3 ASP 77 + H VAL 54 OK 80 100 - 80 - 1.8/9242=49, 9678/3.6=31...(9) HB3 ASP 65 + H VAL 54 OK 34 94 - 36 - 9678/3.6=11, 3.0/10772=6...(9) HG3 MET 74 + H VAL 54 OK 15 94 - 16 - 4.8/11116=5...(7) HB3 TYR 41 - H VAL 54 lone 9 98 - 10 - 8876/4.0=2 Peak 9242 from nnoeabs.peaks (3.22, 8.49, 120.76 ppm; 4.74 A): 0 out of 1 assignment used, low quality = 0.39: HB2 ASP 77 - H VAL 54 OK 39 87 - 45 - 1.8/9241=15...(8) Peak 9291 from nnoeabs.peaks (6.98, 8.64, 131.90 ppm; 4.22 A): 0 out of 3 assignments used, low quality = 0.38: HD21 ASN 10 - H LEU 55 OK 38 100 - 38 - 6124=8, 3.5/358=8...(8) HD21 ASN 51 - H LEU 55 lone 6 98 - 6 - 9218/4.6=2, 10669/2.9=1 HE ARG 91 - H LEU 55 lone 1 84 - 1 - Peak 9292 from nnoeabs.peaks (7.07, 8.64, 131.90 ppm; 4.06 A): 2 out of 2 assignments used, quality = 0.50: HZ PHE 96 + H LEU 55 OK 38 99 - 39 - 9221/3.6=17, 9219/4.6=12...(4) HZ3 TRP 92 + H LEU 55 OK 19 99 - 19 - 9221/3.6=6, 14661/4.7=5...(6) Peak 9293 from nnoeabs.peaks (8.36, 8.64, 131.90 ppm; 4.37 A): 3 out of 3 assignments used, quality = 0.93: H TYR 4 + H LEU 55 OK 85 100 - 85 - 8121=39, 10203/3.6=19...(13) H ILE 93 + H LEU 55 OK 40 99 - 40 - 10005/4.8=19...(9) H GLU 95 + H LEU 55 OK 21 100 - 21 - 9282/4.8=6, 10203/3.6=4...(5) Peak 9294 from nnoeabs.peaks (9.31, 8.64, 131.90 ppm; 4.26 A): 2 out of 2 assignments used, quality = 0.86: H LEU 6 + H LEU 55 OK 81 94 - 86 - 3.6/9295=35, 8199=34...(13) H LYS 33 + H LEU 55 OK 26 100 - 26 - 10663/4.1=8, 11108/4.7=5...(8) Peak 9295 from nnoeabs.peaks (5.09, 8.64, 131.90 ppm; 3.26 A): 1 out of 1 assignment used, quality = 0.52: HA VAL 5 + H LEU 55 OK 52 77 - 68 - 8164=14, 3.6/8199=12...(15) Peak 9296 from nnoeabs.peaks (8.93, 8.64, 131.90 ppm; 5.58 A): 2 out of 2 assignments used, quality = 0.90: H VAL 5 + H LEU 55 OK 78 81 - 97 - 3.0/9295=49...(18) H LEU 57 + H LEU 55 OK 53 100 - 53 - 9349/4.8=17...(12) Peak 9297 from nnoeabs.peaks (8.51, 9.19, 126.37 ppm; 4.43 A): 3 out of 3 assignments used, quality = 0.75: H ARG 79 + H ILE 56 OK 60 81 - 74 - 9697=24, 3.6/9300=24...(19) H LEU 2 + H ILE 56 OK 23 99 - 23 - 9309/4.0=6, 9279/6919=4...(9) H THR 31 + H ILE 56 OK 19 70 - 27 - 3.0/6921=10, 9309/4.0=7...(5) Peak 9298 from nnoeabs.peaks (8.75, 9.19, 126.37 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.84: H ARG 81 + H ILE 56 OK 84 99 - 85 - 9753=28, 3.6/9299=24...(14) Peak 9299 from nnoeabs.peaks (5.33, 9.19, 126.37 ppm; 3.66 A): 2 out of 2 assignments used, quality = 0.78: HA THR 80 + H ILE 56 OK 68 100 - 69 - 3.6/9298=19, 9701=17...(12) HA ILE 52 + H ILE 56 OK 31 94 - 33 - 9155/4.0=6, 9302/3.8=5...(11) Peak 9300 from nnoeabs.peaks (5.20, 9.19, 126.37 ppm; 5.02 A): 1 out of 1 assignment used, quality = 0.51: HA VAL 78 + H ILE 56 OK 51 99 - 51 - 3.6/9697=26, 3.0/6922=7...(10) Peak 9301 from nnoeabs.peaks (5.11, 9.19, 126.37 ppm; 5.04 A): 2 out of 3 assignments used, quality = 0.91: HA VAL 5 + H ILE 56 OK 87 98 - 88 - 8164/4.7=26, 9249/4.5=25...(19) HA ILE 7 + H ILE 56 OK 30 61 - 49 - ~8251=13, 9332/4.5=11...(10) HA LEU 3 - H ILE 56 poor 9 73 - 13 - 9306/4.0=4, 9332/4.5=3...(5) Peak 9318 from nnoeabs.peaks (1.34, 9.19, 126.37 ppm; 5.55 A): 3 out of 11 assignments used, quality = 0.97: HG LEU 14 + H ILE 56 OK 77 97 - 80 - 11079/4.0=34...(18) QB ALA 67 + H ILE 56 OK 71 98 - 72 - 9528/4.0=43...(10) HB2 LYS 82 + H ILE 56 OK 52 100 - 52 - 3651/3.8=9, 1.8/6922=8...(12) HB3 LEU 2 - H ILE 56 OK 39 92 - 42 - 8052/4.5=9, 4.0/9297=8...(14) HB3 LEU 27 - H ILE 56 OK 32 100 - 31 - 1197/3.6=8, 3.0/6915=6...(11) QB ALA 89 - H ILE 56 OK 24 99 - 25 - 9931/6918=5, 9329/3.8=2...(8) HG3 LYS 68 - H ILE 56 OK 18 98 - 18 - 12321/10914=3...(8) HG2 LYS 39 - H ILE 56 OK 16 100 - 15 - 10570/8399=2, 9329/3.8=1...(4) QB ALA 25 - H ILE 56 OK 14 99 - 14 - 10475/3.6=4, 10475/6915=2 HG2 LYS 94 - H ILE 56 lone 8 99 - 8 - HG3 LYS 40 - H ILE 56 lone 4 73 - 5 - Peak 9319 from nnoeabs.peaks (3.67, 9.19, 126.37 ppm; 5.53 A): 3 out of 4 assignments used, quality = 0.94: HB THR 80 + H ILE 56 OK 83 94 - 88 - 4.4/9298=35, 3.0/9299=33...(14) HA LEU 14 + H ILE 56 OK 55 87 - 63 - 4.0/8399=15, 9321/3.8=13...(14) HA GLU 88 + H ILE 56 OK 28 90 - 31 - 4.2/9921=8, 3.0/9920=7...(8) HA LYS 90 - H ILE 56 OK 18 100 - 18 - 9323/4.0=3, 9321/3.8=3...(9) Peak 9331 from nnoeabs.peaks (8.78, 8.93, 126.55 ppm; 4.14 A): 2 out of 2 assignments used, quality = 0.76: H ILE 8 + H LEU 57 OK 63 84 - 75 - 8292=22, 3.6/9332=19...(15) H SER 59 + H LEU 57 OK 35 84 - 41 - 4.2/10714=13, 6955/4.6=7...(10) Peak 9332 from nnoeabs.peaks (5.13, 8.93, 126.55 ppm; 3.54 A): 4 out of 4 assignments used, quality = 0.84: HA ILE 7 + H LEU 57 OK 73 100 - 74 - 8239=25, 8271/3.9=17...(15) HA LEU 3 + H LEU 57 OK 18 100 - 18 - 3.6/6044=2, 9344/3.9=2...(9) HA TYR 4 + H LEU 57 OK 15 77 - 20 - 146=3, 3.0/160=3...(6) HA SER 85 + H LEU 57 OK 11 96 - 12 - 9344/3.9=2, 9345/3.9=2...(4) Peak 9333 from nnoeabs.peaks (9.33, 8.93, 126.55 ppm; 4.25 A): 1 out of 1 assignment used, quality = 0.70: H LEU 6 + H LEU 57 OK 70 87 - 80 - 8216/3.6=16, 4.6/8237=14...(19) Peak 9348 from nnoeabs.peaks (0.99, 8.93, 126.55 ppm; 4.28 A): 2 out of 2 assignments used, quality = 0.74: QG2 THR 80 + H LEU 57 OK 60 90 - 67 - 9734/4.1=24, 9366/4.6=22...(12) QG1 VAL 83 + H LEU 57 OK 35 61 - 57 - ~9783=17, 9797/3.0=11...(12) Peak 9349 from nnoeabs.peaks (0.44, 8.93, 126.55 ppm; 5.22 A): 3 out of 3 assignments used, quality = 0.90: QD1 LEU 55 + H LEU 57 OK 81 96 - 85 - 10213/4.6=28...(13) HG2 ARG 81 + H LEU 57 OK 44 73 - 60 - ~12209=17, ~12131=15...(7) QD1 LEU 3 + H LEU 57 OK 11 61 - 17 - 3.9/9332=6, 5.0/6044=4...(4) Peak 9366 from nnoeabs.peaks (0.99, 8.54, 114.40 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.64: QG2 THR 80 + H VAL 58 OK 64 99 - 65 - 10223/4.0=20...(12) Peak 9371 from nnoeabs.peaks (1.37, 8.54, 114.40 ppm; 4.78 A): 4 out of 7 assignments used, quality = 0.92: HG12 ILE 8 + H VAL 58 OK 80 99 - 80 - 8304/3.0=26, ~8300=22...(12) HG LEU 14 + H VAL 58 OK 35 70 - 51 - 2.1/6953=12, ~2652=8...(11) HB2 LEU 70 + H VAL 58 OK 26 100 - 26 - 3.1/6950=5, ~9390=4...(8) HB3 ARG 30 + H VAL 58 OK 17 99 - 17 - 10693/4.6=6, 8718/4.0=2...(4) HG3 LYS 68 - H VAL 58 poor 7 65 - 11 - 12321/9366=2, 2.9/6947=2 HG3 LYS 40 - H VAL 58 lone 7 96 - 7 - 9369/3.0=1 HG3 LYS 94 - H VAL 58 lone 3 81 - 3 - Peak 9372 from nnoeabs.peaks (4.70, 8.54, 114.40 ppm; 3.67 A): 2 out of 2 assignments used, quality = 0.75: HA LYS 82 + H VAL 58 OK 70 99 - 71 - 3.6/9395=22...(15) HA ARG 79 + H VAL 58 OK 16 73 - 22 - 10228/4.0=4, 9711/9366=4...(8) Peak 9395 from nnoeabs.peaks (9.11, 8.54, 114.40 ppm; 3.92 A): 1 out of 1 assignment used, quality = 0.79: H VAL 83 + H VAL 58 OK 79 100 - 79 - 9771=38, 3.6/9372=22...(9) Peak 9396 from nnoeabs.peaks (0.81, 8.80, 115.50 ppm; 4.40 A): 7 out of 9 assignments used, quality = 0.90: QG2 ILE 7 + H SER 59 OK 60 96 - 63 - 256=15, 3.2/264=10...(15) QD2 LEU 57 + H SER 59 OK 38 90 - 42 - 3.1/9336=9, 10703/3.6=7...(9) QD1 ILE 76 + H SER 59 OK 22 98 - 22 - 3.2/9629=4, 4.2/9403=3...(5) QD2 LEU 2 + H SER 59 OK 17 100 - 17 - 9419/4.6=2, 6949/4.7=2...(6) QD2 LEU 70 + H SER 59 OK 15 100 - 15 - 10703/3.6=3, 10702/4.4=2...(6) QD1 LEU 70 + H SER 59 OK 13 94 - 14 - 10703/3.6=3, 9419/4.6=2...(4) QG2 ILE 15 + H SER 59 OK 12 100 - 12 - 9419/4.6=2, 10122/4.0=2...(4) QD2 LEU 38 - H SER 59 lone 4 73 - 6 - 10703/3.6=1 QD2 LEU 103 - H SER 59 lone 1 57 - 2 - Peak 9397 from nnoeabs.peaks (0.97, 8.80, 115.50 ppm; 5.62 A): 3 out of 3 assignments used, quality = 0.94: QG2 THR 80 + H SER 59 OK 73 97 - 75 - 10223/4.2=33...(13) QG2 VAL 83 + H SER 59 OK 69 92 - 76 - 9784/3.0=30, 9788/4.7=21...(10) HG LEU 55 + H SER 59 OK 28 94 - 29 - 10223/4.2=6, 10221/4.2=6...(8) Peak 9398 from nnoeabs.peaks (1.34, 8.80, 115.50 ppm; 6.50 A): 2 out of 10 assignments used, quality = 0.95: HB2 LYS 82 + H SER 59 OK 90 98 - 92 - ~10727=33, 3.0/10724=32...(14) HG LEU 14 + H SER 59 OK 52 84 - 62 - 2.1/6960=13, 3.0/9400=11...(16) HB3 LEU 2 - H SER 59 OK 26 99 - 26 - 3.1/9396=5, 9416/4.6=3...(8) QB ALA 67 - H SER 59 OK 26 100 - 26 - 9384/4.2=9, 9378/4.2=4...(5) QB ALA 89 - H SER 59 OK 21 100 - 21 - 9931/9397=5, 9378/4.2=3...(4) HG2 LYS 39 - H SER 59 OK 21 96 - 22 - 10570/4.2=5, 9416/4.6=3...(5) HB3 LEU 27 - H SER 59 OK 21 97 - 21 - 9384/4.2=5, 9378/4.2=4...(5) QB ALA 25 - H SER 59 OK 17 100 - 16 - 9378/4.2=2, 9384/4.2=2...(5) HG3 LYS 68 - H SER 59 OK 14 87 - 16 - 12321/9397=3...(3) HG2 LYS 94 - H SER 59 OK 12 100 - 12 - 9416/4.6=1, 9378/4.2=1 Peak 9399 from nnoeabs.peaks (1.78, 8.80, 115.50 ppm; 4.43 A): 4 out of 7 assignments used, quality = 0.94: HB3 GLU 63 + H SER 59 OK 70 100 - 70 - 10233/4.4=25...(9) HB3 LYS 82 + H SER 59 OK 61 87 - 70 - 3.0/10724=16, ~10727=15...(11) HB VAL 78 + H SER 59 OK 36 99 - 36 - ~11102=16, 2.1/6961=4...(9) HB ILE 56 + H SER 59 OK 27 84 - 32 - 4.4/9331=6, 3.2/321=4...(10) HB2 LYS 66 - H SER 59 OK 17 92 - 19 - 9414/4.6=3, 10225/4.2=2...(7) HG3 ARG 19 - H SER 59 OK 11 73 - 14 - 3.0/9400=3, 9380/4.2=2...(5) HG3 ARG 46 - H SER 59 lone 6 90 - 6 - Peak 9400 from nnoeabs.peaks (1.90, 8.80, 115.50 ppm; 4.26 A): 5 out of 12 assignments used, quality = 0.92: HB ILE 8 + H SER 59 OK 77 96 - 81 - 8300/3.6=29, 8301/4.4=19...(14) HB3 LEU 14 + H SER 59 OK 46 100 - 47 - 3.1/6960=9, 9374/3.6=8...(11) HG LEU 42 + H SER 59 OK 16 97 - 16 - 2.1/6960=3, 9374/3.6=3...(6) HB2 ARG 19 + H SER 59 OK 16 90 - 18 - 9374/3.6=2, 10701/4.4=2...(6) HB VAL 54 + H SER 59 OK 10 65 - 16 - ~9230=5, 9232/3.0=2...(5) HB2 LYS 20 - H SER 59 poor 9 81 - 11 - 3.0/6964=2, 9374/3.6=1 HB2 GLU 43 - H SER 59 lone 8 100 - 8 - 3.0/9401=2 HB3 LYS 13 - H SER 59 lone 7 90 - 8 - 3.0/6963=2 HB2 LYS 13 - H SER 59 lone 6 84 - 7 - 3.0/6963=2 HB3 LYS 33 - H SER 59 lone 2 87 - 2 - HB2 LYS 94 - H SER 59 lone 1 61 - 2 - HB2 LYS 33 - H SER 59 lone 1 81 - 2 - Peak 9401 from nnoeabs.peaks (2.19, 8.80, 115.50 ppm; 4.39 A): 5 out of 10 assignments used, quality = 0.84: HB2 GLU 63 + H SER 59 OK 69 99 - 69 - 10236/4.4=19, 10753=18...(10) HB2 GLU 95 + H SER 59 OK 21 90 - 23 - 9413/4.6=5, 10700/4.4=4...(7) HG3 PRO 86 + H SER 59 OK 18 100 - 18 - 9889/4.2=5, 10700/4.4=3...(6) HG2 GLU 35 + H SER 59 OK 10 100 - 10 - 10700/4.4=2, 9373/3.6=2...(5) HG3 GLU 35 + H SER 59 OK 10 100 - 10 - 10700/4.4=2, 9373/3.6=2...(5) HG2 GLU 43 - H SER 59 lone 8 99 - 8 - 3.0/9400=1, 9413/4.6=1 HG2 MET 1 - H SER 59 lone 8 99 - 8 - 4.2/6963=1, 9413/4.6=1 HB3 GLN 50 - H SER 59 poor 7 61 - 11 - 4.0/6957=5, 4.6/6957=3 HB3 GLU 75 - H SER 59 lone 6 99 - 6 - HG3 GLU 75 - H SER 59 lone 1 61 - 2 - Peak 9402 from nnoeabs.peaks (3.93, 8.80, 115.50 ppm; 5.33 A): 3 out of 4 assignments used, quality = 0.84: HB3 SER 9 + H SER 59 OK 58 99 - 59 - 8349=20, 4.0/6101=11...(15) HA GLU 63 + H SER 59 OK 48 73 - 66 - 3.0/10753=22...(7) HA TYR 41 + H SER 59 OK 25 100 - 25 - 10227/4.2=7, 10226/4.2=4...(9) HA GLU 44 - H SER 59 lone 9 97 - 9 - 10227/4.2=4, 10226/4.2=1 Peak 9403 from nnoeabs.peaks (4.43, 8.80, 115.50 ppm; 5.72 A): 4 out of 7 assignments used, quality = 0.89: HA SER 9 + H SER 59 OK 48 100 - 48 - 3.0/9402=16, 2.9/6101=13...(6) HB THR 84 + H SER 59 OK 44 92 - 48 - ~9843=26, 9405/4.0=12...(5) HA GLU 48 + H SER 59 OK 43 100 - 43 - 9037/4.2=12, 9405/4.0=8...(8) HA ILE 76 + H SER 59 OK 36 100 - 36 - 9405/4.0=8, 3.2/9629=7...(8) HA MET 21 - H SER 59 poor 7 61 - 11 - 3.9/984=2, 3.0/967=2...(4) HA ALA 25 - H SER 59 lone 4 70 - 6 - 2.1/9398=2, 3.0/8604=1 HA VAL 32 - H SER 59 lone 4 61 - 6 - 3.0/10517=2 Peak 9410 from nnoeabs.peaks (2.59, 7.73, 117.52 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.55: HB VAL 58 + H ASN 60 OK 55 99 - 56 - 3.0/9422=23, 6959/4.6=18...(11) Peak 9411 from nnoeabs.peaks (2.53, 7.73, 117.52 ppm; 4.36 A): 5 out of 5 assignments used, quality = 0.86: HG3 GLU 63 + H ASN 60 OK 58 87 - 67 - 3.0/9413=18, 1.8/9412=17...(11) HG3 GLU 95 + H ASN 60 OK 36 100 - 36 - 2.9/9413=8, 1.8/9412=7...(9) HB2 ASP 61 + H ASN 60 OK 27 65 - 41 - 4.4/9435=13, 1.8/10737=7...(9) HG2 MET 74 + H ASN 60 OK 22 100 - 21 - 3350=2, 9423/4.0=2...(9) HG3 GLN 72 + H ASN 60 OK 11 92 - 12 - 3.9/6969=3, 9430/5.7=2 Peak 9412 from nnoeabs.peaks (2.29, 7.73, 117.52 ppm; 4.44 A): 4 out of 6 assignments used, quality = 0.81: HG2 GLU 63 + H ASN 60 OK 61 94 - 65 - 3.0/9413=18, 1.8/9411=15...(10) HG2 GLU 95 + H ASN 60 OK 25 77 - 33 - 1.8/9411=9, 2.9/9413=8...(6) HB2 GLU 48 + H ASN 60 OK 24 87 - 28 - 2236=6, 3.0/2229=5...(7) HG3 GLU 16 + H ASN 60 OK 16 87 - 18 - 4.1/6970=2, 9465/5.7=2...(9) HG2 GLU 23 - H ASN 60 lone 5 73 - 7 - 4.2/6969=1, 10470/4.6=1 HB2 TYR 4 - H ASN 60 lone 5 99 - 5 - 10718/9410=1 Peak 9413 from nnoeabs.peaks (2.19, 7.73, 117.52 ppm; 3.59 A): 2 out of 11 assignments used, quality = 0.61: HB2 GLU 63 + H ASN 60 OK 51 97 - 52 - 1.8/9414=13, 3.0/9412=9...(9) HB2 GLU 95 + H ASN 60 OK 22 81 - 27 - 2.9/9411=5, 4284/3.0=5...(7) HG3 PRO 86 - H ASN 60 lone 6 99 - 6 - 9401/4.6=2, 10700/9410=1 HG2 GLU 35 - H ASN 60 lone 6 98 - 6 - HG3 GLU 35 - H ASN 60 lone 6 98 - 6 - HG2 GLU 43 - H ASN 60 lone 5 100 - 5 - HG2 MET 1 - H ASN 60 lone 5 96 - 5 - 4.2/6969=1 HB3 GLU 75 - H ASN 60 lone 4 100 - 3 - HB3 GLN 50 - H ASN 60 lone 3 73 - 4 - 4.0/6808=2 HG3 GLU 75 - H ASN 60 lone 1 73 - 2 - HG2 GLU 75 - H ASN 60 lone 1 65 - 2 - Peak 9414 from nnoeabs.peaks (1.78, 7.73, 117.52 ppm; 3.92 A): 4 out of 7 assignments used, quality = 0.89: HB3 GLU 63 + H ASN 60 OK 69 100 - 69 - 1.8/9413=19...(10) HB3 LYS 82 + H ASN 60 OK 48 73 - 65 - 2.9/9417=19, 2.9/9418=15...(12) HB2 LYS 66 + H ASN 60 OK 22 81 - 28 - 3.0/9415=4, 3.0/9415=4...(9) HB ILE 56 + H ASN 60 OK 13 70 - 19 - 3.2/9420=5, 2.9/9420=3...(5) HB VAL 78 - H ASN 60 lone 9 100 - 9 - 9399/4.6=3 HG3 ARG 46 - H ASN 60 lone 5 97 - 5 - HB2 LYS 39 - H ASN 60 lone 4 65 - 6 - 3.0/9416=2 Peak 9415 from nnoeabs.peaks (1.50, 7.73, 117.52 ppm; 4.66 A): 5 out of 11 assignments used, quality = 0.68: HB3 LEU 64 + H ASN 60 OK 28 87 - 32 - 1.8/2810=4, 3.0/2826=3...(11) HG3 LYS 66 + H ASN 60 OK 25 94 - 27 - 3.6/6972=6, 3.0/9414=5...(7) HG2 LYS 66 + H ASN 60 OK 24 90 - 27 - 3.6/6972=6, 3.0/9414=5...(7) HG LEU 57 + H ASN 60 OK 12 100 - 13 - 2.1/9419=4, 9370/9422=2 HG2 LYS 73 + H ASN 60 OK 11 92 - 12 - 4.1/6969=2, 1.8/3281=1...(4) HG3 LYS 13 - H ASN 60 lone 9 99 - 9 - 3.9/6969=2, 3.0/10725=2 HG LEU 2 - H ASN 60 lone 8 84 - 9 - 2.1/9419=4, 3.0/9416=2 HG2 LYS 47 - H ASN 60 lone 6 90 - 7 - 3.9/6969=1, 3.0/10725=1 HG3 LYS 33 - H ASN 60 lone 5 100 - 5 - HB2 ARG 91 - H ASN 60 lone 4 73 - 5 - 2.8/9418=2 HG3 LYS 24 - H ASN 60 lone 3 98 - 3 - Peak 9416 from nnoeabs.peaks (1.34, 7.73, 117.52 ppm; 5.25 A): 3 out of 11 assignments used, quality = 0.92: HB2 LYS 82 + H ASN 60 OK 86 100 - 86 - 2.9/9417=31, 2.9/9418=28...(14) HG LEU 14 + H ASN 60 OK 29 92 - 32 - 2.1/9420=9, 3.0/10725=6...(8) HG2 LYS 39 + H ASN 60 OK 19 99 - 19 - 9398/4.6=1, 5.2/6594=1...(6) HB3 LEU 2 - H ASN 60 OK 17 97 - 17 - 3.1/9419=4, 3.0/9415=2...(4) QB ALA 89 - H ASN 60 OK 17 100 - 17 - 9936/5.7=6, 9936/6974=2 QB ALA 67 - H ASN 60 OK 16 100 - 16 - 9398/4.6=2, 2981/2800=1...(4) HB3 LEU 27 - H ASN 60 OK 14 99 - 15 - 3672/9418=2, 3683/9417=2...(4) QB ALA 25 - H ASN 60 OK 10 100 - 10 - 9398/4.6=1 HG3 LYS 68 - H ASN 60 poor 10 94 - 10 - HG2 LYS 94 - H ASN 60 lone 9 100 - 9 - HG3 LYS 40 - H ASN 60 poor 7 61 - 11 - 1.8/9417=2, 3672/9418=1 Peak 9417 from nnoeabs.peaks (1.15, 7.73, 117.52 ppm; 4.56 A): 1 out of 5 assignments used, quality = 0.74: HG3 LYS 82 + H ASN 60 OK 74 94 - 79 - 1.8/9418=24, 3.9/9421=17...(14) QG2 THR 31 - H ASN 60 lone 9 98 - 9 - 8742/9436=1, 3675/9418=1 HB3 LEU 3 - H ASN 60 lone 7 100 - 7 - 3675/9418=2, 3653/9416=1 HG2 LYS 40 - H ASN 60 lone 4 90 - 5 - HB2 LEU 29 - H ASN 60 lone 2 84 - 2 - Peak 9418 from nnoeabs.peaks (1.06, 7.73, 117.52 ppm; 5.31 A): 2 out of 3 assignments used, quality = 0.92: HG2 LYS 82 + H ASN 60 OK 90 100 - 90 - 1.8/9417=37...(15) HB3 ARG 81 + H ASN 60 OK 13 98 - 13 - 3685/9417=4, 3652/9416=2...(4) HG2 ARG 91 - H ASN 60 lone 7 81 - 9 - 10992/4.6=2, 3685/9417=1 Peak 9419 from nnoeabs.peaks (0.81, 7.73, 117.52 ppm; 5.08 A): 7 out of 10 assignments used, quality = 0.78: QG2 ILE 7 + H ASN 60 OK 29 90 - 32 - 4.4/6967=11, 9396/4.6=9...(7) QD2 LEU 57 + H ASN 60 OK 19 81 - 24 - 9396/4.6=6, 10703/9422=4...(5) QD2 LEU 2 + H ASN 60 OK 19 100 - 19 - 9396/4.6=3, 2.1/9415=2...(5) QD1 ILE 76 + H ASN 60 OK 17 94 - 19 - 9396/4.6=3...(4) QD2 LEU 70 + H ASN 60 OK 17 100 - 17 - 9396/4.6=2, 4.0/6970=2...(5) QG2 ILE 15 + H ASN 60 OK 17 100 - 17 - 10123/9417=4...(3) QD1 LEU 70 + H ASN 60 OK 16 98 - 17 - 9396/4.6=2, 4.0/6970=2...(5) QD1 LEU 57 - H ASN 60 poor 7 65 - 11 - 2.1/9415=4, 10703/9422=3 QD2 LEU 38 - H ASN 60 lone 7 84 - 8 - 4.5/6579=1 QD2 LEU 103 - H ASN 60 lone 2 70 - 3 - Peak 9420 from nnoeabs.peaks (0.70, 7.73, 117.52 ppm; 3.19 A): 0 out of 7 assignments used, low quality = 0.36: QD1 ILE 8 - H ASN 60 OK 18 94 - 20 - 10726/3.6=4, 5.0/6967=3...(7) QD2 LEU 14 - H ASN 60 OK 12 96 - 13 - 10726/3.6=3, 3.1/10725=2...(4) QD1 ILE 56 - H ASN 60 OK 11 97 - 11 - 10726/3.6=2, 321/4.6=1...(5) QD1 ILE 52 - H ASN 60 lone 9 98 - 9 - HG13 ILE 56 - H ASN 60 lone 6 81 - 8 - 2.9/9414=1, 10726/3.6=1 QD1 LEU 42 - H ASN 60 lone 6 87 - 7 - QD2 LEU 6 - H ASN 60 lone 5 81 - 6 - Peak 9421 from nnoeabs.peaks (4.71, 7.73, 117.52 ppm; 4.92 A): 2 out of 2 assignments used, quality = 0.86: HA LYS 82 + H ASN 60 OK 79 99 - 80 - 3.6/9436=25...(10) HA ARG 79 + H ASN 60 OK 32 97 - 32 - 10723/3.6=8, 10724/4.6=6...(11) Peak 9422 from nnoeabs.peaks (5.26, 7.73, 117.52 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.64: HA VAL 58 + H ASN 60 OK 64 98 - 66 - 3.0/9410=34, 3.6/6967=23...(9) Peak 9425 from nnoeabs.peaks (2.52, 6.87, 113.68 ppm; 4.36 A): 6 out of 8 assignments used, quality = 0.89: HG3 GLU 63 + HD21 ASN 60 OK 71 100 - 72 - 9466=25, 1.8/9426=22...(10) HB2 ASP 61 + HD21 ASN 60 OK 32 98 - 32 - 4.4/9439=11, 9424/3.5=8...(5) HG2 MET 74 + HD21 ASN 60 OK 16 87 - 19 - 3.4/9429=7, 9430/1.7=3...(5) HB3 ASP 36 + HD21 ASN 60 OK 14 94 - 15 - 9424/3.5=3, 9423/3.5=3...(5) HB2 ASP 36 + HD21 ASN 60 OK 14 92 - 15 - 9424/3.5=3, 9423/3.5=3...(5) HG3 GLU 95 + HD21 ASN 60 OK 12 92 - 13 - 9423/3.5=3, 9411/5.7=3 HB3 ASP 87 - HD21 ASN 60 lone 2 65 - 3 - HB2 ASP 87 - HD21 ASN 60 lone 2 65 - 3 - Peak 9426 from nnoeabs.peaks (2.30, 6.87, 113.68 ppm; 4.67 A): 3 out of 7 assignments used, quality = 0.73: HG2 GLU 63 + HD21 ASN 60 OK 65 94 - 69 - 1.8/9466=27, 9431/1.7=19...(8) HG3 GLU 16 + HD21 ASN 60 OK 14 98 - 14 - 9431/1.7=3, 9465=3...(5) HB2 GLU 48 + HD21 ASN 60 OK 12 98 - 12 - 9431/1.7=4, 2236/5.7=3 HB2 TYR 41 - HD21 ASN 60 lone 4 92 - 4 - 10280/9429=1, 9431/1.7=1 HD3 ARG 81 - HD21 ASN 60 lone 3 99 - 3 - HB2 TYR 4 - HD21 ASN 60 lone 3 84 - 3 - HG3 GLU 43 - HD21 ASN 60 lone 2 65 - 3 - 10280/9429=1 Peak 9427 from nnoeabs.peaks (2.23, 6.87, 113.68 ppm; 5.16 A): 0 out of 4 assignments used, low quality = 0.42: HB3 GLN 72 - HD21 ASN 60 OK 42 94 - 45 - 9432/1.7=23, 3.0/9434=13...(6) HG2 GLU 17 - HD21 ASN 60 poor 9 65 - 14 - 3.0/9429=6, 9432/1.7=5 HG2 GLU 99 - HD21 ASN 60 lone 4 99 - 4 - 9432/1.7=2 HG2 GLU 98 - HD21 ASN 60 lone 2 90 - 3 - 9432/1.7=1 Peak 9428 from nnoeabs.peaks (2.11, 6.87, 113.68 ppm; 5.27 A): 0 out of 11 assignments used, low quality = 0.44: HB VAL 83 - HD21 ASN 60 OK 32 100 - 32 - 2.1/9796=9, 2.1/9782=7...(8) HB2 LEU 64 - HD21 ASN 60 OK 18 100 - 18 - 3.9/6978=7, 2810/5.7=3...(4) HG3 GLU 37 - HD21 ASN 60 lone 7 100 - 7 - 5.0/6978=3, 1608/5.7=2 HB3 PRO 86 - HD21 ASN 60 lone 6 97 - 6 - 9857/9934=1, 3830/7466=1 HB3 GLU 37 - HD21 ASN 60 lone 5 81 - 6 - 4.1/6978=3, 1594/5.7=1 HB2 PRO 86 - HD21 ASN 60 lone 5 96 - 5 - 3822/7466=1 HG3 GLU 104 - HD21 ASN 60 lone 3 81 - 4 - 3.0/12224=1 QE MET 21 - HD21 ASN 60 lone 3 84 - 3 - HB2 GLU 69 - HD21 ASN 60 lone 1 77 - 2 - HB3 GLU 69 - HD21 ASN 60 lone 1 77 - 2 - HG2 GLU 69 - HD21 ASN 60 lone 1 77 - 2 - Peak 9429 from nnoeabs.peaks (2.00, 6.87, 113.68 ppm; 5.23 A): 0 out of 7 assignments used, low quality = 0.42: QE MET 74 - HD21 ASN 60 OK 20 99 - 20 - 10869/3.5=5, 3.4/9425=4...(8) HB2 GLU 62 - HD21 ASN 60 OK 17 65 - 27 - 4.0/9439=17, 4.6/9439=11 HB3 GLU 17 - HD21 ASN 60 OK 11 94 - 12 - 3.0/9427=5, ~9432=4, 748/9427=1 HB3 MET 1 - HD21 ASN 60 lone 10 99 - 10 - 3.0/9434=4, ~9433=2 HB2 GLU 35 - HD21 ASN 60 lone 2 92 - 3 - HB2 GLU 44 - HD21 ASN 60 lone 2 100 - 2 - HB3 GLU 44 - HD21 ASN 60 lone 2 100 - 2 - Peak 9430 from nnoeabs.peaks (2.52, 7.37, 113.68 ppm; 4.85 A): 7 out of 7 assignments used, quality = 0.94: HG3 GLU 63 + HD22 ASN 60 OK 75 98 - 77 - 9466/1.7=30, 1.8/9431=21...(10) HG3 GLN 72 + HD22 ASN 60 OK 32 73 - 44 - 3.0/9432=18, ~9427=16...(7) HB2 ASP 61 + HD22 ASN 60 OK 32 87 - 37 - 4.4/9440=12, 9423/3.5=9...(5) HG2 MET 74 + HD22 ASN 60 OK 21 98 - 21 - ~9429=6, 9425/1.7=4...(6) HG3 GLU 95 + HD22 ASN 60 OK 15 99 - 15 - 9411/5.7=5, 9423/3.5=4...(4) HB3 ASP 36 + HD22 ASN 60 OK 14 77 - 18 - 9425/1.7=4, 9423/3.5=4...(5) HB2 ASP 36 + HD22 ASN 60 OK 13 73 - 18 - 9425/1.7=4, 9423/3.5=4...(5) Peak 9431 from nnoeabs.peaks (2.30, 7.37, 113.68 ppm; 5.46 A): 3 out of 7 assignments used, quality = 0.81: HG2 GLU 63 + HD22 ASN 60 OK 74 94 - 79 - 9426/1.7=30, ~9466=29...(8) HB2 GLU 48 + HD22 ASN 60 OK 15 98 - 15 - 9426/1.7=6, 2236/5.7=4 HG3 GLU 16 + HD22 ASN 60 OK 13 98 - 14 - 9426/1.7=6, 10234/3.5=2...(5) HB2 TYR 41 - HD22 ASN 60 lone 4 92 - 4 - 9426/1.7=2 HD3 ARG 81 - HD22 ASN 60 lone 4 99 - 4 - 9426/1.7=1 HB2 TYR 4 - HD22 ASN 60 lone 3 84 - 4 - 9426/1.7=1 HG3 GLU 43 - HD22 ASN 60 lone 2 65 - 2 - Peak 9432 from nnoeabs.peaks (2.23, 7.37, 113.68 ppm; 5.77 A): 2 out of 4 assignments used, quality = 0.63: HB3 GLN 72 + HD22 ASN 60 OK 57 100 - 58 - 9427/1.7=32, 3.0/9433=13...(7) HG2 GLU 17 + HD22 ASN 60 OK 13 87 - 15 - 9427/1.7=7, ~9429=5, 3185/9433=1 HG2 GLU 99 - HD22 ASN 60 lone 5 90 - 6 - 9427/1.7=3 HG2 GLU 98 - HD22 ASN 60 lone 3 70 - 4 - 9427/1.7=2 Peak 9433 from nnoeabs.peaks (4.16, 7.37, 113.68 ppm; 6.15 A): 3 out of 7 assignments used, quality = 0.83: HA GLN 72 + HD22 ASN 60 OK 63 100 - 63 - 3.0/9432=29, ~9427=25...(6) HB2 SER 59 + HD22 ASN 60 OK 46 100 - 46 - 4.6/6975=37, 9434/1.7=11 HA MET 1 + HD22 ASN 60 OK 16 100 - 16 - 9434/1.7=5, ~9429=5...(4) HA LYS 13 - HD22 ASN 60 lone 9 100 - 9 - 9434/1.7=3, 6969/5.7=3 HA LYS 73 - HD22 ASN 60 poor 8 77 - 10 - 6969/5.7=3, 3.6/6984=2 HA GLU 23 - HD22 ASN 60 lone 7 92 - 8 - 9434/1.7=3, 6969/5.7=2 HA LYS 47 - HD22 ASN 60 lone 6 84 - 7 - 9434/1.7=2, 6969/5.7=2 Peak 9434 from nnoeabs.peaks (4.15, 6.87, 113.68 ppm; 5.89 A): 3 out of 6 assignments used, quality = 0.75: HA GLN 72 + HD21 ASN 60 OK 57 99 - 58 - 3.0/9427=30, ~9432=21...(6) HB2 SER 59 + HD21 ASN 60 OK 32 96 - 33 - 4.6/6974=21, 9433/1.7=11 HA MET 1 + HD21 ASN 60 OK 16 97 - 16 - 3.0/9429=6, 9433/1.7=4...(4) HA LYS 13 - HD21 ASN 60 lone 8 99 - 8 - 9433/1.7=2, 6969/5.7=2 HA GLU 23 - HD21 ASN 60 lone 8 99 - 8 - 9433/1.7=2, 6969/5.7=1 HA LYS 47 - HD21 ASN 60 lone 7 97 - 7 - 9433/1.7=2, 6969/5.7=1 Peak 9435 from nnoeabs.peaks (8.40, 7.73, 117.52 ppm; 4.24 A): 3 out of 3 assignments used, quality = 0.85: H GLU 62 + H ASN 60 OK 68 100 - 69 - 7001/4.6=23, 9438/4.0=13...(12) H GLU 63 + H ASN 60 OK 41 65 - 62 - 4.0/9413=13...(12) H THR 80 + H ASN 60 OK 18 81 - 23 - 3.6/9421=6, 6999/4.6=4...(7) Peak 9436 from nnoeabs.peaks (9.13, 7.73, 117.52 ppm; 5.60 A): 1 out of 1 assignment used, quality = 0.45: H VAL 83 + H ASN 60 OK 45 61 - 74 - 10721/3.6=31...(11) Peak 9439 from nnoeabs.peaks (8.40, 6.87, 113.68 ppm; 4.68 A): 3 out of 3 assignments used, quality = 0.79: H GLU 62 + HD21 ASN 60 OK 59 100 - 59 - 9438/3.5=18, 9453/3.5=18...(9) H GLU 63 + HD21 ASN 60 OK 41 65 - 64 - 4.8/9466=17, 4.8/9426=15...(9) H THR 80 + HD21 ASN 60 OK 14 81 - 17 - 9437/3.5=5, 9438/3.5=5...(4) Peak 9440 from nnoeabs.peaks (8.40, 7.37, 113.68 ppm; 4.95 A): 3 out of 3 assignments used, quality = 0.77: H GLU 62 + HD22 ASN 60 OK 54 94 - 58 - 9439/1.7=21, 9438/3.5=19...(6) H GLU 63 + HD22 ASN 60 OK 45 87 - 52 - 9439/1.7=15, 4.8/9431=14...(7) H THR 80 + HD22 ASN 60 OK 11 57 - 19 - 9439/1.7=5, 9437/3.5=5...(4) Peak 9442 from nnoeabs.peaks (2.09, 8.58, 119.43 ppm; 5.55 A): 3 out of 11 assignments used, quality = 0.80: HB3 GLU 62 + H ASP 61 OK 56 99 - 57 - 4.0/7001=41, ~10743=15...(4) HB2 LEU 64 + H ASP 61 OK 50 61 - 81 - 9449/3.0=18, 1.8/9444=17...(14) HB2 GLU 23 + H ASP 61 OK 10 97 - 11 - 7007/4.5=5, 9450/4.0=3 HG3 GLU 104 - H ASP 61 poor 10 99 - 10 - 7007/4.5=5, 9450/4.0=2 HB3 PRO 86 - H ASP 61 lone 8 90 - 9 - ~9449=2, 9450/4.0=2, 9449/3.0=1 HG3 GLU 37 - H ASP 61 lone 7 73 - 9 - 5.0/6990=3, 1608/4.6=1 HB VAL 83 - H ASP 61 poor 7 61 - 11 - 3.0/6991=3, 3743/3.6=2 HB3 GLU 88 - H ASP 61 lone 6 73 - 8 - 12223/3.6=3, 7007/4.5=1 HB3 GLU 35 - H ASP 61 lone 6 84 - 7 - 7007/4.5=3, 9450/4.0=1 QE MET 21 - H ASP 61 lone 5 99 - 5 - 9450/4.0=1 HB2 GLU 16 - H ASP 61 lone 2 65 - 3 - 7007/4.5=1 Peak 9443 from nnoeabs.peaks (1.56, 8.58, 119.43 ppm; 4.97 A): 1 out of 6 assignments used, quality = 0.75: HD3 LYS 82 + H ASP 61 OK 75 100 - 75 - 10931=33, 10938/3.6=15...(11) HG LEU 103 - H ASP 61 lone 3 61 - 4 - ~9447=2 HD3 LYS 53 - H ASP 61 lone 2 90 - 2 - HB2 LEU 3 - H ASP 61 lone 2 92 - 2 - HB3 GLU 28 - H ASP 61 lone 1 100 - 1 - HG2 LYS 33 - H ASP 61 lone 1 77 - 1 - Peak 9444 from nnoeabs.peaks (1.48, 8.58, 119.43 ppm; 5.03 A): 4 out of 11 assignments used, quality = 0.95: HB3 LEU 64 + H ASP 61 OK 75 98 - 76 - ~9449=19, 9481/3.0=18...(14) HG LEU 64 + H ASP 61 OK 73 99 - 73 - ~9447=18, 9482/3.0=14...(14) HG2 LYS 66 + H ASP 61 OK 14 97 - 15 - 3.6/6992=4, 3.6/6992=4...(4) HG3 LYS 66 + H ASP 61 OK 14 94 - 14 - 3.6/6992=4, 3.6/6992=4...(4) HD3 LYS 40 - H ASP 61 lone 4 61 - 6 - 9445/3.0=1 HG2 LYS 73 - H ASP 61 lone 3 96 - 3 - 3270/4.6=1 HG3 LYS 53 - H ASP 61 lone 3 73 - 4 - HG LEU 57 - H ASP 61 lone 3 70 - 4 - ~9447=1, 9415/4.6=1 HG3 LYS 13 - H ASP 61 lone 3 84 - 3 - HB2 ARG 91 - H ASP 61 lone 3 100 - 3 - HG2 LYS 47 - H ASP 61 lone 3 97 - 3 - Peak 9453 from nnoeabs.peaks (2.90, 8.40, 122.15 ppm; 4.38 A): 3 out of 8 assignments used, quality = 0.82: HB2 ASN 60 + H GLU 62 OK 72 97 - 74 - 4.4/7001=26, 9437=22...(9) HE2 LYS 66 + H GLU 62 OK 20 99 - 20 - 9455/4.5=5, 3.6/10739=4...(6) HE3 LYS 66 + H GLU 62 OK 20 100 - 20 - 9455/4.5=5, 3.6/10739=4...(5) HE3 LYS 94 - H GLU 62 lone 6 87 - 7 - 4.8/7006=2, 12258/4.0=1 HE3 LYS 68 - H GLU 62 lone 4 94 - 4 - HE2 LYS 68 - H GLU 62 lone 4 90 - 4 - HE2 LYS 20 - H GLU 62 lone 2 84 - 2 - HE3 LYS 20 - H GLU 62 lone 2 81 - 2 - Peak 9454 from nnoeabs.peaks (3.06, 8.40, 122.15 ppm; 4.11 A): 4 out of 6 assignments used, quality = 0.88: HB3 ASN 60 + H GLU 62 OK 70 100 - 71 - 4.4/7001=23, 9438=21...(9) HB3 ASN 26 + H GLU 62 OK 35 99 - 35 - 1.8/7004=8, 1174/3.6=7...(7) HD2 ARG 79 + H GLU 62 OK 21 92 - 23 - 3.8/3513=4, 3.8/3522=4...(8) HD3 ARG 79 + H GLU 62 OK 20 87 - 23 - 3.8/3513=4, 3.8/3522=4...(8) HB3 HIS 105 - H GLU 62 lone 2 100 - 2 - HB3 HIS 106 - H GLU 62 lone 2 96 - 2 - Peak 9455 from nnoeabs.peaks (2.90, 8.38, 119.08 ppm; 5.44 A): 3 out of 8 assignments used, quality = 0.91: HB2 ASN 60 + H GLU 63 OK 59 97 - 61 - 9453/4.5=19, 3.5/9440=11...(11) HE3 LYS 66 + H GLU 63 OK 53 100 - 54 - 12318/2.9=12, 4.7/7021=9...(9) HE2 LYS 66 + H GLU 63 OK 53 99 - 53 - 12318/2.9=12, 4.7/7021=9...(9) HE3 LYS 94 - H GLU 63 poor 9 87 - 11 - 4.8/7015=2, 12258/4.6=2...(4) HE3 LYS 68 - H GLU 63 lone 9 94 - 9 - 12318/2.9=2, ~12318=1 HE2 LYS 68 - H GLU 63 lone 8 90 - 9 - 12318/2.9=2, ~12318=1 HE2 LYS 20 - H GLU 63 lone 5 84 - 6 - 12318/2.9=1 HE3 LYS 20 - H GLU 63 lone 5 81 - 6 - Peak 9456 from nnoeabs.peaks (4.36, 8.38, 119.08 ppm; 5.35 A): 3 out of 3 assignments used, quality = 0.89: HA ASP 61 + H GLU 63 OK 74 97 - 77 - 3.6/7010=49...(12) HA ASN 26 + H GLU 63 OK 36 100 - 35 - 10477/4.6=13...(8) HA ARG 81 + H GLU 63 OK 30 99 - 31 - 9470/4.6=8, 10743/3.6=5...(10) Peak 9457 from nnoeabs.peaks (0.71, 8.38, 119.08 ppm; 4.25 A): 6 out of 8 assignments used, quality = 0.86: QG1 VAL 58 + H GLU 63 OK 62 90 - 69 - 10720=18, 10226/2.9=13...(12) QD2 LEU 14 + H GLU 63 OK 23 100 - 23 - 10408/2.9=5, ~10409=4...(8) QD1 ILE 56 + H GLU 63 OK 19 100 - 19 - 9460/2.9=4, 8308/4.0=3...(8) QD1 ILE 8 + H GLU 63 OK 18 100 - 18 - 9460/2.9=4, 8308/4.0=3...(7) HG13 ILE 56 + H GLU 63 OK 16 99 - 16 - ~9460=3, 9460/2.9=3...(7) QD1 ILE 52 + H GLU 63 OK 16 77 - 20 - 9460/2.9=4, 10740/4.5=3...(7) QG2 VAL 78 - H GLU 63 lone 8 87 - 9 - 2.1/7021=3, ~2765=1...(4) QG1 VAL 5 - H GLU 63 lone 2 70 - 3 - Peak 9458 from nnoeabs.peaks (1.49, 8.38, 119.08 ppm; 4.73 A): 3 out of 11 assignments used, quality = 0.98: HG3 LYS 66 + H GLU 63 OK 74 100 - 74 - ~2771=15, ~2896=13...(19) HG2 LYS 66 + H GLU 63 OK 74 100 - 74 - ~2771=15, ~2896=13...(19) HB3 LEU 64 + H GLU 63 OK 72 100 - 72 - 3.9/7029=37, 4.6/7045=26...(10) HG LEU 64 - H GLU 63 OK 44 84 - 53 - 4.8/7029=30...(8) HG LEU 57 - H GLU 63 OK 13 96 - 13 - ~10745=4, ~10697=3...(4) HG2 LYS 47 - H GLU 63 lone 7 100 - 7 - 10616/2.9=1 HG2 LYS 73 - H GLU 63 lone 5 100 - 5 - 10616/2.9=1 HG3 LYS 24 - H GLU 63 lone 4 77 - 6 - 1105/4.6=3 HG3 LYS 13 - H GLU 63 lone 4 99 - 4 - HB2 ARG 91 - H GLU 63 lone 4 97 - 4 - HG3 LYS 33 - H GLU 63 lone 2 90 - 2 - Peak 9467 from nnoeabs.peaks (0.69, 7.72, 120.36 ppm; 3.36 A): 5 out of 5 assignments used, quality = 0.87: QG2 VAL 58 + H LEU 64 OK 69 92 - 76 - 9392=22, 9388/3.0=21...(16) QD1 LEU 14 + H LEU 64 OK 31 96 - 33 - 9475/3.0=6, 9477/3.9=5...(11) QD1 ILE 52 + H LEU 64 OK 15 94 - 16 - 9150=3, 9460/3.6=2...(6) QD2 LEU 6 + H LEU 64 OK 15 100 - 15 - 9477/3.9=2, 9461/4.6=2...(6) QD1 LEU 42 + H LEU 64 OK 14 100 - 14 - 9477/3.9=2, 9474/3.9=2...(6) Peak 9468 from nnoeabs.peaks (0.98, 7.72, 120.36 ppm; 5.27 A): 3 out of 3 assignments used, quality = 0.88: QG2 THR 80 + H LEU 64 OK 76 100 - 76 - 10762/4.5=29...(12) QG2 VAL 83 + H LEU 64 OK 39 70 - 56 - 9476/3.0=15...(10) HG LEU 55 + H LEU 64 OK 16 73 - 22 - 9476/3.0=6, 10760/3.9=4...(5) Peak 9469 from nnoeabs.peaks (1.35, 7.72, 120.36 ppm; 4.52 A): 8 out of 13 assignments used, quality = 0.94: HB2 LYS 82 + H LEU 64 OK 45 84 - 54 - 9756/4.5=9, 3.5/10933=8...(17) HG LEU 14 + H LEU 64 OK 39 98 - 40 - 2.1/9467=10, ~9475=6...(12) QB ALA 67 + H LEU 64 OK 33 61 - 54 - ~7081=17, 2981/3.0=16...(9) QB ALA 25 + H LEU 64 OK 29 70 - 41 - 3.6/6411=8, 2.1/1150=7...(12) HB3 LEU 27 + H LEU 64 OK 26 87 - 30 - 4.0/10489=8, 4.4/7042=4...(11) HG3 LYS 68 + H LEU 64 OK 26 97 - 27 - 9490/4.6=8, 10758/3.9=3...(7) HG2 LYS 39 + H LEU 64 OK 18 90 - 20 - 9490/4.6=2, 10748/4.6=2...(8) QB ALA 89 + H LEU 64 OK 15 70 - 22 - 2.1/7030=5, 9938=3...(8) HG12 ILE 8 - H LEU 64 poor 10 97 - 10 - 8304/10708=2, 9490/4.6=2 HG3 LYS 40 - H LEU 64 lone 8 100 - 8 - HG2 LYS 94 - H LEU 64 lone 7 70 - 10 - 12252/3.9=1, 10758/3.9=1...(4) HB2 LEU 70 - H LEU 64 lone 5 84 - 5 - HB3 ARG 30 - H LEU 64 lone 3 77 - 4 - Peak 9470 from nnoeabs.peaks (4.36, 7.72, 120.36 ppm; 3.81 A): 3 out of 4 assignments used, quality = 0.92: HA ASP 61 + H LEU 64 OK 75 100 - 75 - 9441=26, 3.6/7027=23...(13) HA ASN 26 + H LEU 64 OK 47 97 - 49 - 10477=10, 3.0/6411=7...(13) HA ARG 81 + H LEU 64 OK 35 100 - 35 - 9481/3.9=6, 9472/3.9=6...(10) HA SER 102 - H LEU 64 lone 1 73 - 1 - Peak 9489 from nnoeabs.peaks (0.70, 7.92, 118.10 ppm; 4.14 A): 7 out of 8 assignments used, quality = 0.72: QD2 LEU 14 + H ASP 65 OK 27 97 - 27 - 10412/4.6=5, 2.1/9490=4...(9) QG1 VAL 58 + H ASP 65 OK 23 61 - 38 - 2.1/9393=18, 9385/3.6=12...(5) QD1 ILE 56 + H ASP 65 OK 16 98 - 16 - 10682/9706=3...(5) QD1 ILE 8 + H ASP 65 OK 15 96 - 15 - 2.1/9490=2, 3.2/9492=2...(4) QD1 ILE 52 + H ASP 65 OK 13 97 - 13 - 9150/4.6=3, 9477/4.6=1...(4) QD1 LEU 42 + H ASP 65 OK 11 84 - 13 - 2.1/9492=2, 9477/4.6=2...(4) HG13 ILE 56 + H ASP 65 OK 11 84 - 13 - 9527/10785=3...(3) QD2 LEU 6 - H ASP 65 poor 9 77 - 12 - 9477/4.6=2, 9474/4.6=2...(5) Peak 9490 from nnoeabs.peaks (1.36, 7.92, 118.10 ppm; 4.75 A): 6 out of 9 assignments used, quality = 0.94: HG3 LYS 68 + H ASP 65 OK 77 92 - 84 - ~9500=20, ~2856=16...(22) HG LEU 14 + H ASP 65 OK 33 94 - 35 - 2.1/9489=9, 9469/4.6=4...(12) HB2 LYS 82 + H ASP 65 OK 25 73 - 34 - 9756/4.9=7, 1.8/10766=5...(9) HG2 LYS 39 + H ASP 65 OK 23 81 - 28 - ~9500=3, 3.0/9491=2...(11) HB3 LEU 27 + H ASP 65 OK 20 77 - 26 - 4.4/7057=5, 3.1/7053=3...(11) HG12 ILE 8 + H ASP 65 OK 19 99 - 19 - 2.1/9489=5, 312/4.6=4...(4) HG3 LYS 40 - H ASP 65 lone 9 100 - 9 - HB2 LEU 70 - H ASP 65 lone 7 92 - 8 - 4.1/7166=1 HB3 ARG 30 - H ASP 65 lone 5 87 - 5 - 4.7/7058=1 Peak 9491 from nnoeabs.peaks (1.65, 7.92, 118.10 ppm; 4.74 A): 3 out of 10 assignments used, quality = 0.99: HG2 LYS 68 + H ASP 65 OK 82 99 - 83 - ~2856=16, 2.9/9492=15...(20) HD3 LYS 68 + H ASP 65 OK 75 99 - 76 - ~9500=14, 3.5/9492=14...(21) HD2 LYS 68 + H ASP 65 OK 75 99 - 76 - ~9500=14, 3.5/9492=14...(21) HD3 LYS 39 - H ASP 65 OK 23 98 - 24 - 3.0/9490=3, 10563/3.0=3...(7) HD2 LYS 39 - H ASP 65 OK 22 97 - 23 - ~9500=4, 3.0/9490=3...(7) HB3 LEU 6 - H ASP 65 OK 17 100 - 17 - 10231/4.9=7, 3.1/9489=3...(4) HB3 ARG 79 - H ASP 65 lone 10 97 - 10 - 10243/4.9=3, 4.1/7058=2 HB2 LYS 40 - H ASP 65 lone 9 100 - 9 - 2.9/9490=1 HB ILE 76 - H ASP 65 lone 8 100 - 8 - HD3 LYS 73 - H ASP 65 lone 2 65 - 3 - Peak 9492 from nnoeabs.peaks (1.88, 7.92, 118.10 ppm; 4.30 A): 4 out of 10 assignments used, quality = 0.77: HB3 LYS 68 + H ASP 65 OK 64 87 - 74 - ~2856=19, 2857/3.0=14...(17) HB3 GLU 104 + H ASP 65 OK 17 84 - 20 - 3.0/7044=8, 4.0/10773=4...(5) HB ILE 8 + H ASP 65 OK 14 87 - 16 - 3.2/9489=4, 296/4.6=2...(5) HB VAL 54 + H ASP 65 OK 11 100 - 11 - 3.9/7058=3...(3) HG LEU 42 - H ASP 65 poor 10 84 - 12 - 2.1/9489=3, 8921/4.9=2 HB3 LEU 14 - H ASP 65 poor 10 61 - 16 - 3.1/9489=7, 3.0/9490=4 HB2 ARG 19 - H ASP 65 poor 10 94 - 10 - 797/4.6=3, 4.1/7057=2 HB3 LYS 12 - H ASP 65 poor 8 70 - 11 - 2857/3.0=3, ~2857=2, ~3009=1 HB2 LYS 20 - H ASP 65 lone 7 98 - 8 - 859/4.6=2, 4.0/7057=2 HB2 LYS 12 - H ASP 65 poor 7 61 - 11 - 2857/3.0=2, ~2857=2, ~3009=2 Peak 9505 from nnoeabs.peaks (1.33, 7.80, 119.34 ppm; 3.97 A): 6 out of 10 assignments used, quality = 0.91: QB ALA 67 + H LYS 66 OK 63 100 - 63 - 2.9/7077=22, 3.6/7078=15...(9) HB3 LEU 27 + H LYS 66 OK 33 94 - 35 - 1203=7, 1.8/1195=5...(10) HG3 LYS 68 + H LYS 66 OK 32 81 - 40 - 4.6/7078=12, 2.9/7070=7...(10) QB ALA 25 + H LYS 66 OK 21 99 - 21 - 2.9/7062=8, 9502/3.6=2...(7) HG LEU 14 + H LYS 66 OK 20 77 - 26 - 2.1/10412=7, 8407/3.0=3...(9) HB3 LEU 2 + H LYS 66 OK 17 100 - 17 - 3.1/9506=3, 1.8/7074=2...(5) HB2 LYS 82 - H LYS 66 OK 16 96 - 17 - 1.8/7069=3, 3651/4.0=2...(7) HG2 LYS 94 - H LYS 66 OK 15 99 - 15 - 7095/4.7=2, 3.0/7073=2...(6) HG2 LYS 39 - H LYS 66 OK 14 92 - 15 - 3.0/7070=2, 9502/3.6=2...(5) QB ALA 89 - H LYS 66 OK 13 99 - 13 - 2.1/7061=4, 10971/3.0=2 Peak 9506 from nnoeabs.peaks (0.82, 7.80, 119.34 ppm; 4.78 A): 7 out of 8 assignments used, quality = 0.84: QD1 LEU 70 + H LYS 66 OK 34 98 - 35 - 2.1/7074=5, 10782/6.1=4...(14) QG2 VAL 32 + H LYS 66 OK 25 92 - 28 - 9519/4.7=7, 2.1/10153=7...(5) QD2 LEU 70 + H LYS 66 OK 25 81 - 31 - 2.1/7074=5, 10782/6.1=4...(11) QD1 LEU 57 + H LYS 66 OK 23 98 - 23 - 2645/4.8=3, 2645/4.8=3...(7) QD2 LEU 103 + H LYS 66 OK 19 99 - 19 - 4499/3.6=7, 3.9/7065=3...(6) QD2 LEU 2 + H LYS 66 OK 19 84 - 23 - 5.0/11124=3, 3.1/9505=3...(8) QG2 ILE 15 + H LYS 66 OK 15 87 - 17 - 3.0/8436=4, 9514/4.0=2...(4) QD2 LEU 38 - H LYS 66 lone 7 100 - 7 - Peak 9507 from nnoeabs.peaks (0.72, 7.80, 119.34 ppm; 4.78 A): 6 out of 11 assignments used, quality = 0.94: QD1 LEU 64 + H LYS 66 OK 59 73 - 80 - 4.0/7063=26, 4.9/7064=21...(21) QD2 LEU 27 + H LYS 66 OK 44 99 - 45 - 1219=8, 3.1/1203=6...(15) QG1 VAL 58 + H LYS 66 OK 34 99 - 35 - 9385/7063=13...(7) QD1 ILE 8 + H LYS 66 OK 29 73 - 39 - 2.1/312=5, 3.2/296=4...(14) HG13 ILE 56 + H LYS 66 OK 25 90 - 28 - 9520/4.7=6, 2.9/7069=4...(8) QG1 VAL 5 - H LYS 66 OK 23 100 - 23 - 4.0/8163=4, 2.1/8168=3...(8) QD2 LEU 14 + H LYS 66 OK 23 70 - 34 - 10412=7, ~9027=4...(9) QG2 VAL 78 - H LYS 66 OK 18 99 - 18 - 2.1/7069=2, 4.3/7077=2...(8) QD1 ILE 56 - H LYS 66 OK 16 65 - 24 - 9520/4.7=5, 3.2/7069=4...(8) HG3 ARG 81 - H LYS 66 lone 6 81 - 8 - 7053/4.6=1 HG13 ILE 93 - H LYS 66 lone 6 65 - 9 - 9504/3.6=1, 7053/4.6=1 Peak 9518 from nnoeabs.peaks (0.98, 8.48, 121.56 ppm; 5.02 A): 3 out of 3 assignments used, quality = 0.72: QG2 THR 80 + H ALA 67 OK 60 100 - 60 - 9529/4.6=21, 9476/7081=8...(16) QG2 VAL 83 + H ALA 67 OK 19 70 - 28 - 9476/7081=6, 9529/4.6=5...(9) HG LEU 55 + H ALA 67 OK 15 73 - 20 - 9529/4.6=6, 9476/7081=2...(7) Peak 9519 from nnoeabs.peaks (0.84, 8.48, 121.56 ppm; 4.68 A): 3 out of 4 assignments used, quality = 0.75: QG2 VAL 32 + H ALA 67 OK 61 98 - 62 - 1407=13, 9526/2.9=12...(12) QD1 LEU 57 + H ALA 67 OK 24 92 - 26 - 9526/2.9=5, 9530/4.6=4...(8) QD2 LEU 103 + H ALA 67 OK 16 90 - 17 - 3.9/7083=3, 9526/2.9=3...(7) QD2 LEU 38 - H ALA 67 lone 7 77 - 9 - 9526/2.9=2, 9524/3.0=1 Peak 9520 from nnoeabs.peaks (0.72, 8.48, 121.56 ppm; 4.18 A): 3 out of 8 assignments used, quality = 0.95: HG13 ILE 56 + H ALA 67 OK 76 100 - 76 - ~9528=15, 3.2/9521=13...(20) QD1 ILE 56 + H ALA 67 OK 69 94 - 74 - ~9528=16, 9527/2.9=13...(18) QG1 VAL 58 + H ALA 67 OK 38 99 - 38 - 9385/7081=12, 9384/2.9=8...(9) QD1 ILE 8 - H ALA 67 OK 36 97 - 37 - 2.1/8294=5, 2.1/8296=4...(13) QD2 LEU 14 - H ALA 67 OK 28 96 - 29 - 10412/4.7=5...(7) QG2 VAL 78 - H ALA 67 OK 18 99 - 19 - 2.1/7086=2, 9527/2.9=2...(6) QD2 LEU 27 - H ALA 67 OK 18 84 - 22 - 4.7/7084=3, 1219/4.7=3...(7) QG1 VAL 5 - H ALA 67 OK 17 92 - 18 - 2.1/7087=3, 10194/2.9=2...(6) Peak 9521 from nnoeabs.peaks (0.61, 8.48, 121.56 ppm; 5.95 A): 2 out of 2 assignments used, quality = 0.73: QG2 ILE 56 + H ALA 67 OK 67 81 - 83 - 9322/3.0=22, ~10783=18...(18) QD1 ILE 7 + H ALA 67 OK 19 97 - 20 - 10373/9518=5...(5) Peak 9522 from nnoeabs.peaks (2.13, 8.48, 121.56 ppm; 5.34 A): 5 out of 11 assignments used, quality = 0.95: HB2 LEU 64 + H ALA 67 OK 65 77 - 84 - 3.0/7081=42, ~2981=27...(16) HB2 GLU 69 + H ALA 67 OK 46 100 - 46 - 4.0/7120=22, 3094/3.6=11...(7) HB3 GLU 69 + H ALA 67 OK 46 100 - 46 - 4.0/7120=22, 3094/3.6=11...(7) HG2 GLU 69 + H ALA 67 OK 33 100 - 33 - 5.1/7120=18, 2882/3.6=5...(6) HB2 PRO 86 + H ALA 67 OK 31 96 - 33 - 3815/3.6=8, 2.3/7085=7...(8) HB VAL 83 - H ALA 67 OK 18 77 - 23 - 2.1/9518=9, ~9818=4...(6) HB3 GLU 37 - H ALA 67 OK 11 100 - 11 - 8839/1401=3, 8824/1389=1...(4) HG2 GLU 88 - H ALA 67 poor 8 81 - 10 - 9915/9518=5, 9533/4.6=1, ~9916=1 HG2 GLU 44 - H ALA 67 lone 8 97 - 8 - 9533/4.6=2, 3110/7120=1 HG3 GLU 37 - H ALA 67 lone 5 65 - 8 - 8849/1401=1, 12286/4.7=1 HB2 GLU 75 - H ALA 67 lone 4 96 - 4 - Peak 9523 from nnoeabs.peaks (2.71, 8.48, 121.56 ppm; 5.58 A): 1 out of 1 assignment used, quality = 0.73: HB2 ASP 65 + H ALA 67 OK 73 96 - 76 - 7066/4.7=34, 3.0/7083=23...(8) Peak 9529 from nnoeabs.peaks (0.98, 8.19, 116.17 ppm; 3.89 A): 3 out of 3 assignments used, quality = 0.76: QG2 THR 80 + H LYS 68 OK 65 100 - 65 - 2.1/9703=12...(16) HG LEU 55 + H LYS 68 OK 19 73 - 26 - 10260/2.9=5, 10256/4.6=4...(9) QG2 VAL 83 + H LYS 68 OK 16 70 - 23 - 9476/7099=4, 10260/2.9=4...(8) Peak 9530 from nnoeabs.peaks (0.84, 8.19, 116.17 ppm; 4.60 A): 5 out of 5 assignments used, quality = 0.72: QD2 LEU 64 + H LYS 68 OK 37 61 - 60 - 4.0/7099=32...(11) QG2 VAL 32 + H LYS 68 OK 30 87 - 35 - 9519/4.6=13, 9526/3.6=7...(7) QD1 LEU 57 + H LYS 68 OK 19 73 - 26 - 9519/4.6=5, 9723/9703=4...(9) QD2 LEU 103 + H LYS 68 OK 12 70 - 17 - 3.9/7100=5, 9519/4.6=3...(6) QD1 LEU 38 + H LYS 68 OK 10 70 - 15 - 12320/4.6=4, 8921/1934=2...(5) Peak 9531 from nnoeabs.peaks (0.73, 8.19, 116.17 ppm; 4.08 A): 7 out of 10 assignments used, quality = 0.91: QD1 LEU 64 + H LYS 68 OK 54 92 - 59 - 4.0/7099=26, 2.1/9530=10...(17) QG2 VAL 78 + H LYS 68 OK 29 92 - 32 - ~10904=7, 10905/2.9=6...(11) QG1 VAL 78 + H LYS 68 OK 27 81 - 34 - 10904/2.9=7, 10351/4.0=5...(11) QG1 VAL 5 + H LYS 68 OK 25 99 - 25 - 8182/2.9=5, ~10368=3...(8) QG1 VAL 58 + H LYS 68 OK 25 90 - 27 - 9385/7099=12...(5) QD2 LEU 27 + H LYS 68 OK 23 100 - 23 - 8640/2.9=4, 4.7/7101=3...(8) HG13 ILE 56 + H LYS 68 OK 14 70 - 20 - 9525/3.6=6, 9527/3.6=6...(4) HG3 ARG 81 - H LYS 68 lone 6 96 - 6 - 9724/9703=1 HG13 ILE 93 - H LYS 68 lone 5 87 - 6 - 2806/7099=1 QG2 ILE 93 - H LYS 68 lone 4 61 - 7 - Peak 9533 from nnoeabs.peaks (2.14, 8.19, 116.17 ppm; 4.16 A): 3 out of 11 assignments used, quality = 0.72: HB2 GLU 69 + H LYS 68 OK 38 84 - 46 - 4.0/7122=22...(7) HB3 GLU 69 + H LYS 68 OK 38 84 - 46 - 4.0/7122=22...(7) HG2 GLU 69 + H LYS 68 OK 27 84 - 32 - 5.1/7122=16...(5) HG2 GLU 44 - H LYS 68 lone 9 99 - 9 - 4.8/6704=3, 3110/4.6=1 HG2 GLU 88 - H LYS 68 lone 8 100 - 8 - 9915/9529=6 HB2 PRO 86 - H LYS 68 poor 6 57 - 11 - 2.3/7102=4, 9522/4.6=1 HB3 GLU 37 - H LYS 68 lone 6 81 - 7 - 4.1/6567=3, 4.6/8941=1 HB2 GLU 75 - H LYS 68 lone 5 99 - 5 - 2.9/10789=2 HG2 GLU 104 - H LYS 68 lone 4 96 - 4 - 4538/4.0=1 HB3 GLU 23 - H LYS 68 lone 2 81 - 3 - ~8513=1 HB3 GLU 95 - H LYS 68 lone 2 61 - 3 - 3.0/10789=2 Peak 9534 from nnoeabs.peaks (0.97, 7.90, 119.49 ppm; 5.63 A): 3 out of 3 assignments used, quality = 0.76: QG2 THR 80 + H GLU 69 OK 52 87 - 60 - 10260/3.6=18...(7) HG LEU 55 + H GLU 69 OK 30 99 - 30 - 8510/3.6=9, 10258/4.6=6...(8) QG2 VAL 83 + H GLU 69 OK 29 99 - 29 - 8510/3.6=7, 9529/4.6=5...(7) Peak 9535 from nnoeabs.peaks (0.79, 7.90, 119.49 ppm; 4.61 A): 3 out of 8 assignments used, quality = 0.52: QD2 LEU 70 + H GLU 69 OK 31 84 - 37 - 4.6/7137=25, ~10795=4...(6) QD2 LEU 57 + H GLU 69 OK 18 100 - 17 - 2.1/9537=3, 3.1/7124=3...(6) QD1 ILE 76 + H GLU 69 OK 17 98 - 17 - 9639/7119=2, 9639/7119=2...(7) QG2 ILE 8 - H GLU 69 lone 9 96 - 9 - 3.0/9536=2, 3.1/7127=1 QG2 ILE 52 - H GLU 69 poor 9 73 - 12 - 3.1/9536=4, 4.3/7120=3, ~10794=1 QD2 LEU 2 - H GLU 69 lone 6 81 - 7 - QG2 ILE 15 - H GLU 69 lone 6 77 - 7 - 7154/4.6=2 QG2 ILE 7 - H GLU 69 lone 5 99 - 5 - Peak 9536 from nnoeabs.peaks (0.69, 7.90, 119.49 ppm; 5.53 A): 6 out of 8 assignments used, quality = 0.71: QD1 LEU 42 + H GLU 69 OK 32 99 - 32 - 1935/4.6=15, 4.7/7137=10...(4) QD1 ILE 52 + H GLU 69 OK 20 100 - 20 - 9542/4.6=4, 3.1/9535=4...(6) QD1 LEU 14 + H GLU 69 OK 17 77 - 22 - 2.1/7127=4, 10402/9534=3...(6) QD2 LEU 14 + H GLU 69 OK 16 73 - 22 - 9542/4.6=5, 2.1/7127=4...(7) QD2 LEU 6 + H GLU 69 OK 14 98 - 14 - 8229/9538=2, 9542/4.6=2 QD1 ILE 8 + H GLU 69 OK 12 70 - 17 - 3.0/9535=4, 9542/4.6=3...(5) QG2 VAL 58 - H GLU 69 poor 10 70 - 14 - 10221/9534=2...(3) QD1 ILE 56 - H GLU 69 poor 10 77 - 12 - 9512/7119=2, 9542/4.6=1...(4) Peak 9537 from nnoeabs.peaks (1.50, 7.90, 119.49 ppm; 5.06 A): 5 out of 11 assignments used, quality = 0.90: HG3 LYS 66 + H GLU 69 OK 54 97 - 56 - 3.7/7119=22...(12) HG2 LYS 66 + H GLU 69 OK 52 94 - 55 - 3.7/7119=22...(12) HB3 LEU 64 + H GLU 69 OK 31 92 - 34 - 3.0/2807=4, 2825=3...(15) HG LEU 57 + H GLU 69 OK 20 100 - 20 - 2.1/9535=8, 3.0/7124=3...(5) HG2 LYS 73 + H GLU 69 OK 14 96 - 15 - 4.9/7196=6, 10819/4.6=1 HG2 LYS 47 - H GLU 69 lone 7 94 - 8 - 12182/3200=1 HB2 ARG 91 - H GLU 69 lone 6 81 - 8 - 3.5/9538=3, ~10794=1 HG3 LYS 13 - H GLU 69 lone 6 100 - 6 - HG LEU 2 - H GLU 69 lone 6 77 - 7 - 2.1/9535=2 HG3 LYS 24 - H GLU 69 lone 3 96 - 3 - HG3 LYS 33 - H GLU 69 lone 2 99 - 2 - Peak 9538 from nnoeabs.peaks (2.66, 7.90, 119.49 ppm; 5.43 A): 0 out of 5 assignments used, low quality = 0.40: HB3 ASP 65 - H GLU 69 OK 32 73 - 44 - 3.0/7118=25, 9488/4.6=6...(8) HB3 TYR 41 - H GLU 69 OK 11 61 - 19 - 4.1/7137=11, 1897/4.6=3 HD3 ARG 91 - H GLU 69 lone 5 99 - 5 - 3.5/9537=1 HD2 ARG 30 - H GLU 69 lone 2 73 - 3 - HB3 ASN 51 - H GLU 69 lone 2 65 - 3 - Peak 9542 from nnoeabs.peaks (0.70, 7.96, 119.43 ppm; 4.94 A): 6 out of 8 assignments used, quality = 0.90: QD1 LEU 42 + H LEU 70 OK 66 84 - 78 - 2.1/1927=17, 2.1/1943=17...(15) QD2 LEU 14 + H LEU 70 OK 32 97 - 33 - 9543/3.9=7, 10814/3.0=6...(10) QD1 ILE 52 + H LEU 70 OK 28 97 - 29 - 9152/4.6=4, 10814/3.0=3...(11) QD1 ILE 8 + H LEU 70 OK 21 96 - 22 - 9543/3.9=4, 2.1/7150=4...(6) QD2 LEU 6 + H LEU 70 OK 16 77 - 20 - 9543/3.9=3, 9536/4.6=2...(10) QD1 ILE 56 + H LEU 70 OK 10 98 - 10 - 8306/2978=2, 9536/4.6=1...(5) QG1 VAL 58 - H LEU 70 lone 6 61 - 9 - ~9390=4, ~10814=1 HG13 ILE 56 - H LEU 70 lone 5 84 - 6 - Peak 9550 from nnoeabs.peaks (0.72, 8.26, 119.60 ppm; 3.81 A): 4 out of 16 assignments used, quality = 0.81: QG2 VAL 78 + H ALA 71 OK 66 100 - 66 - 10292/2.9=23, ~9685=17...(10) QD2 LEU 27 + H ALA 71 OK 23 92 - 25 - 2.1/1220=3, 1212=3...(12) QG1 VAL 5 + H ALA 71 OK 17 97 - 17 - 2.1/10370=4, 2.1/10823=3...(5) QD2 LEU 14 + H ALA 71 OK 12 90 - 13 - 9558/4.6=2, 12015/2.9=2...(6) QD1 ILE 8 - H ALA 71 lone 9 92 - 9 - 2.1/7159=2, 9558/4.6=1 QD2 LEU 14 - H PHE 45 poor 6 58 - 11 - 8414/3.7=2, ~8997=2...(4) HG13 ILE 56 - H ALA 71 lone 6 99 - 6 - QD2 LEU 27 - H PHE 45 lone 6 60 - 9 - 2.1/1220=1, 1212=1, ~8996=1 QD1 ILE 56 - H ALA 71 lone 5 87 - 6 - QG1 VAL 58 - H ALA 71 lone 5 100 - 5 - 9558/4.6=1 QG1 VAL 5 - H PHE 45 lone 4 65 - 5 - 2.1/10370=1 QG1 VAL 58 - H PHE 45 lone 3 71 - 5 - 8975/4.6=2 QD1 ILE 8 - H PHE 45 lone 3 60 - 5 - 8975/4.6=2 QG2 VAL 78 - H PHE 45 lone 3 71 - 4 - 10292/3178=1 HG13 ILE 56 - H PHE 45 lone 1 68 - 2 - QD1 ILE 56 - H PHE 45 lone 1 55 - 2 - 8975/4.6=1 Peak 9554 from nnoeabs.peaks (4.00, 7.91, 115.96 ppm; 3.64 A): 4 out of 5 assignments used, quality = 0.89: HA GLU 69 + H GLN 72 OK 62 96 - 65 - 3087=15, 9559/3.9=8...(18) HA GLU 75 + H GLN 72 OK 54 100 - 54 - 9616/3.6=11, 9619/3.0=10...(16) HA LEU 70 + H GLN 72 OK 28 70 - 41 - 3.6/7168=16, 3.0/7143=8...(7) HA GLU 95 + H GLN 72 OK 13 57 - 22 - 4.1/7175=4, 3.0/7172=3...(11) HB3 SER 97 - H GLN 72 lone 4 61 - 6 - 9560/3.9=1, 9562/4.8=1 Peak 9555 from nnoeabs.peaks (1.94, 7.91, 115.96 ppm; 4.14 A): 5 out of 11 assignments used, quality = 0.80: HB3 LYS 73 + H GLN 72 OK 34 77 - 44 - 4.1/7196=23...(9) HB2 GLU 17 + H GLN 72 OK 32 100 - 33 - 3.0/7173=9, 740/3.9=7...(7) HB2 LYS 73 + H GLN 72 OK 32 73 - 44 - 4.1/7196=23...(9) HB2 MET 1 + H GLN 72 OK 25 100 - 26 - 9/3.0=5, 3.0/7174=5...(8) HB3 LYS 47 + H GLN 72 OK 11 70 - 16 - 3.0/9556=3, ~2169=2...(7) HB2 LYS 94 - H GLN 72 poor 7 61 - 12 - 4.0/7168=5, 3.5/9556=3 HG3 GLU 88 - H GLN 72 lone 4 100 - 4 - 9922/6.6=2, 3899/6.6=1 HB3 ARG 19 - H GLN 72 lone 4 87 - 5 - 3.0/2996=1, ~10791=1 HB VAL 32 - H GLN 72 lone 3 100 - 3 - HB3 LYS 20 - H GLN 72 lone 3 97 - 3 - HB3 ARG 46 - H GLN 72 lone 2 65 - 4 - Peak 9556 from nnoeabs.peaks (1.63, 7.91, 115.96 ppm; 4.59 A): 5 out of 9 assignments used, quality = 0.94: HG2 LYS 68 + H GLN 72 OK 67 94 - 71 - 2.9/9557=20...(18) HD3 LYS 68 + H GLN 72 OK 39 65 - 59 - 3.5/9557=18, ~10790=10...(15) HD2 LYS 68 + H GLN 72 OK 36 61 - 59 - 3.5/9557=18, ~10790=10...(15) HG3 LYS 47 + H GLN 72 OK 33 90 - 37 - 10841/3.9=10, 2169/3.0=5...(14) HD2 LYS 94 + H GLN 72 OK 30 94 - 32 - 10841/3.9=7, 10836/3.6=6...(9) HB ILE 76 - H GLN 72 OK 24 90 - 27 - 9648/3.6=13...(3) HD3 LYS 39 - H GLN 72 OK 18 96 - 19 - 3.6/9557=2, 6.0/10827=2...(6) HB2 LYS 40 - H GLN 72 poor 10 84 - 11 - 10834/3.6=2, 1793/4.6=1...(5) HB3 LEU 6 - H GLN 72 lone 5 77 - 6 - 3.1/10847=1 Peak 9557 from nnoeabs.peaks (1.84, 7.91, 115.96 ppm; 4.43 A): 2 out of 7 assignments used, quality = 0.67: HB2 LYS 68 + H GLN 72 OK 61 98 - 62 - 3008=12, ~10790=9...(15) HB3 LYS 66 + H GLN 72 OK 14 70 - 20 - 4.7/7097=4, 1.8/10776=4...(5) HB3 LYS 90 - H GLN 72 lone 8 92 - 9 - 3008=1 HB3 LYS 39 - H GLN 72 poor 8 65 - 12 - 4.0/10827=3, 3.6/9556=2 HB VAL 5 - H GLN 72 lone 7 70 - 10 - 2.1/9558=4, 10823/4.6=2 HB2 LYS 53 - H GLN 72 lone 4 100 - 4 - HG2 ARG 46 - H GLN 72 lone 2 61 - 3 - Peak 9558 from nnoeabs.peaks (0.72, 7.91, 115.96 ppm; 4.20 A): 5 out of 8 assignments used, quality = 0.71: QG2 VAL 78 + H GLN 72 OK 44 99 - 45 - 10292/3.6=22, 9550/4.6=9...(7) QD2 LEU 14 + H GLN 72 OK 18 94 - 19 - 4.9/10827=3, 8386/3.0=2...(6) QD2 LEU 27 + H GLN 72 OK 17 87 - 20 - 2.1/10847=7, 9550/4.6=3...(7) QG1 VAL 5 + H GLN 72 OK 13 94 - 14 - 10292/3.6=3, 9550/4.6=2...(4) QG1 VAL 58 + H GLN 72 OK 11 100 - 11 - 9385/2807=2, 2.1/9393=1 QD1 ILE 8 - H GLN 72 poor 10 96 - 10 - 3.0/10847=2, 9550/4.6=1 HG13 ILE 56 - H GLN 72 lone 7 100 - 7 - QD1 ILE 56 - H GLN 72 lone 6 92 - 6 - Peak 9570 from nnoeabs.peaks (4.00, 6.85, 111.53 ppm; 5.25 A): 4 out of 4 assignments used, quality = 0.93: HA GLU 69 + HE21 GLN 72 OK 77 97 - 80 - 10803/1.7=30, 10804=28...(10) HA GLU 75 + HE21 GLN 72 OK 63 100 - 64 - 9571/1.7=17, 9562/3.5=15...(10) HA LEU 70 + HE21 GLN 72 OK 12 65 - 18 - 9559/4.4=4, 9554/6.6=4...(5) HB3 SER 97 + HE21 GLN 72 OK 10 65 - 15 - 9562/3.5=3, 9571/1.7=3...(6) Peak 9571 from nnoeabs.peaks (4.00, 7.44, 111.53 ppm; 4.84 A): 3 out of 4 assignments used, quality = 0.89: HA GLU 69 + HE22 GLN 72 OK 70 97 - 73 - 10803=24, 10804/1.7=22...(10) HA GLU 75 + HE22 GLN 72 OK 57 100 - 57 - 9570/1.7=14, 9562/3.5=13...(10) HA LEU 70 + HE22 GLN 72 OK 10 65 - 16 - 9559/4.4=3, 9554/6.6=3...(5) HB3 SER 97 - HE22 GLN 72 poor 9 65 - 13 - 9562/3.5=3, 9570/1.7=2...(6) Peak 9572 from nnoeabs.peaks (2.92, 7.44, 111.53 ppm; 5.65 A): 4 out of 9 assignments used, quality = 0.85: HE2 LYS 68 + HE22 GLN 72 OK 56 97 - 58 - 5.0/12304=15, ~9573=11...(9) HE3 LYS 68 + HE22 GLN 72 OK 54 94 - 58 - 5.0/12304=15, ~9573=11...(9) HE2 LYS 94 + HE22 GLN 72 OK 15 100 - 15 - ~9567=3, ~9573=3...(5) HE3 LYS 94 + HE22 GLN 72 OK 15 98 - 15 - ~9567=3, 9573/1.7=3...(5) HE3 LYS 20 - HE22 GLN 72 lone 5 99 - 5 - ~9573=1 HE2 LYS 20 - HE22 GLN 72 lone 5 99 - 5 - ~9573=1 HE3 LYS 66 - HE22 GLN 72 lone 5 73 - 7 - 4.7/12304=2 HE3 LYS 90 - HE22 GLN 72 lone 5 61 - 8 - 4.8/12304=2, ~12236=1, ~12232=1 HB2 ASN 10 - HE22 GLN 72 lone 4 90 - 5 - 8360/3.5=1, ~8358=1 Peak 9573 from nnoeabs.peaks (2.90, 6.85, 111.53 ppm; 5.91 A): 4 out of 9 assignments used, quality = 0.83: HE3 LYS 68 + HE21 GLN 72 OK 53 100 - 53 - ~9572=12, 3.6/9574=11...(8) HE2 LYS 68 + HE21 GLN 72 OK 53 99 - 53 - ~9572=12, 3.6/9574=11...(8) HE3 LYS 94 + HE21 GLN 72 OK 15 98 - 15 - ~9567=4, ~9572=3...(4) HE2 LYS 94 + HE21 GLN 72 OK 12 77 - 15 - ~9567=4, ~9572=3...(4) HE2 LYS 20 - HE21 GLN 72 lone 5 97 - 5 - ~9572=1, 9572/1.7=1 HE3 LYS 20 - HE21 GLN 72 lone 5 96 - 5 - ~9572=1, 9572/1.7=1 HE3 LYS 66 - HE21 GLN 72 lone 5 99 - 5 - 9572/1.7=1 HB2 ASN 60 - HE21 GLN 72 lone 4 84 - 5 - HE2 LYS 66 - HE21 GLN 72 lone 4 92 - 4 - ~9572=1 Peak 9574 from nnoeabs.peaks (1.65, 6.85, 111.53 ppm; 5.36 A): 3 out of 9 assignments used, quality = 0.96: HG2 LYS 68 + HE21 GLN 72 OK 71 100 - 72 - 10790/5.7=14, ~12304=14...(14) HD3 LYS 68 + HE21 GLN 72 OK 64 98 - 66 - ~12304=13, 9575/1.7=11...(13) HD2 LYS 68 + HE21 GLN 72 OK 64 97 - 66 - ~12304=13, 9575/1.7=11...(14) HD3 LYS 39 - HE21 GLN 72 lone 9 99 - 9 - 9564/3.5=2, 9575/1.7=1...(4) HB2 LYS 40 - HE21 GLN 72 lone 8 100 - 8 - ~9565=1, 9564/3.5=1, 4.1/8961=1 HB ILE 76 - HE21 GLN 72 lone 8 100 - 8 - ~10880=2, 9564/3.5=1...(4) HD2 LYS 39 - HE21 GLN 72 lone 8 94 - 8 - 9575/1.7=2, ~9564=1...(4) HB3 ARG 79 - HE21 GLN 72 lone 4 94 - 4 - HB3 LEU 6 - HE21 GLN 72 lone 3 100 - 3 - Peak 9575 from nnoeabs.peaks (1.65, 7.44, 111.53 ppm; 5.06 A): 3 out of 12 assignments used, quality = 0.95: HG2 LYS 68 + HE22 GLN 72 OK 63 94 - 67 - 2.9/12304=16...(14) HD2 LYS 68 + HE22 GLN 72 OK 63 100 - 63 - 3.5/12304=15...(14) HD3 LYS 68 + HE22 GLN 72 OK 62 100 - 63 - 3.5/12304=15...(13) HD2 LYS 39 - HE22 GLN 72 lone 9 100 - 9 - 3.6/12304=1, 9574/1.7=1...(5) HD3 LYS 39 - HE22 GLN 72 lone 8 92 - 9 - 3.6/12304=1, 9574/1.7=1 HB ILE 76 - HE22 GLN 72 lone 7 97 - 7 - ~10880=1, 9574/1.7=1, 9564/3.5=1 HD3 LYS 73 - HE22 GLN 72 lone 6 81 - 8 - 5.1/7189=4, ~9567=2, 3294/5.7=1 HD2 LYS 73 - HE22 GLN 72 lone 6 73 - 8 - 5.1/7189=4, ~9567=2 HB2 LYS 40 - HE22 GLN 72 lone 6 99 - 5 - 9574/1.7=1, ~9565=1 HB3 ARG 79 - HE22 GLN 72 lone 3 100 - 3 - HB3 LEU 6 - HE22 GLN 72 lone 3 100 - 3 - HB ILE 52 - HE22 GLN 72 lone 2 61 - 4 - Peak 9576 from nnoeabs.peaks (1.36, 7.84, 119.03 ppm; 5.29 A): 6 out of 9 assignments used, quality = 0.77: HB2 LEU 70 + H LYS 73 OK 47 94 - 51 - 3.0/9578=25...(6) HG3 LYS 40 + H LYS 73 OK 21 100 - 21 - 3.8/9579=4, 1827=2...(7) HB3 LEU 27 + H LYS 73 OK 18 73 - 24 - 4.0/10856=12, ~10850=4...(4) HG12 ILE 8 + H LYS 73 OK 13 100 - 13 - ~10850=3, 12204/4.1=2...(5) HG3 LYS 68 + H LYS 73 OK 12 90 - 13 - 3042/4.6=6, 7127/7196=1 HG2 LYS 39 + H LYS 73 OK 11 77 - 14 - 3.9/10559=5, 5.2/6613=1...(4) HB3 ARG 30 - H LYS 73 poor 10 90 - 11 - 1.8/10509=3, 9565/7201=1 HG LEU 14 - H LYS 73 lone 7 92 - 8 - ~10850=2 HB2 LYS 82 - H LYS 73 lone 3 70 - 5 - Peak 9577 from nnoeabs.peaks (0.80, 7.84, 119.03 ppm; 4.62 A): 7 out of 9 assignments used, quality = 0.93: QD2 LEU 2 + H LYS 73 OK 64 99 - 64 - 83=15, 12297/3.0=10...(13) QD2 LEU 70 + H LYS 73 OK 42 100 - 42 - 4.0/9578=17, 3.1/9576=9...(9) QD1 LEU 70 + H LYS 73 OK 34 90 - 39 - 4.0/9578=17, 3.1/9576=9...(5) QD1 ILE 76 + H LYS 73 OK 28 99 - 28 - 9592/4.7=6, 12297/3.0=4...(10) QG2 ILE 15 + H LYS 73 OK 15 99 - 15 - 12297/3.0=3...(4) QD2 LEU 57 + H LYS 73 OK 12 94 - 12 - 12297/3.0=1, 2.1/7207=1 QG2 ILE 7 + H LYS 73 OK 11 98 - 11 - 9592/4.7=1, 12297/3.0=1 QG2 ILE 8 - H LYS 73 poor 7 65 - 10 - 3.1/9576=2, ~10850=2 QD2 LEU 38 - H LYS 73 lone 5 65 - 7 - 9592/4.7=2 Peak 9578 from nnoeabs.peaks (4.02, 7.84, 119.03 ppm; 3.76 A): 3 out of 4 assignments used, quality = 0.73: HA LEU 70 + H LYS 73 OK 57 100 - 58 - 10810=16, 3.6/10856=8...(15) HA GLU 95 + H LYS 73 OK 22 99 - 23 - 3.0/7198=4, 4.1/7201=3...(6) HA GLU 75 + H LYS 73 OK 18 70 - 27 - 9559/4.6=5, 9619/3.6=5...(9) HB3 SER 59 - H LYS 73 poor 7 61 - 12 - 1.8/7197=2, 10857/4.7=2...(7) Peak 9579 from nnoeabs.peaks (3.85, 7.84, 119.03 ppm; 4.63 A): 5 out of 8 assignments used, quality = 0.80: HA ALA 71 + H LYS 73 OK 62 99 - 63 - 3.6/7196=31, 4.9/9578=14...(9) HA LYS 40 + H LYS 73 OK 16 77 - 21 - 3.8/9576=4, 10858/4.7=2...(7) HA ALA 67 + H LYS 73 OK 16 99 - 16 - 7169/4.6=5, 10828/4.7=2...(4) HA LYS 12 + H LYS 73 OK 14 99 - 14 - 3.7/3271=4, 7169/4.6=2...(4) HA LYS 94 + H LYS 73 OK 11 73 - 15 - 3.0/10856=3...(5) HB3 SER 49 - H LYS 73 lone 7 97 - 7 - 10858/4.7=1 HA2 GLY 100 - H LYS 73 lone 4 73 - 5 - HA2 GLY 101 - H LYS 73 lone 3 73 - 5 - Peak 9583 from nnoeabs.peaks (7.55, 7.75, 115.79 ppm; 4.50 A): 3 out of 3 assignments used, quality = 0.83: H ILE 76 + H MET 74 OK 58 84 - 70 - 9643=15, 4.6/7233=15...(16) H LEU 38 + H MET 74 OK 40 73 - 54 - 3.6/1577=8, 2.9/10858=7...(15) H LEU 14 + H MET 74 OK 33 99 - 34 - 7245/4.6=5, 3.6/10848=5...(8) Peak 9590 from nnoeabs.peaks (1.43, 7.75, 115.79 ppm; 4.60 A): 6 out of 7 assignments used, quality = 0.89: QB ALA 71 + H MET 74 OK 49 77 - 64 - 2.1/10828=20...(13) HG13 ILE 76 + H MET 74 OK 49 90 - 55 - 1.8/9591=21, 4.5/9583=11...(9) HG2 LYS 13 + H MET 74 OK 28 99 - 29 - 1.8/7219=5, 3.9/10848=5...(8) HG12 ILE 7 + H MET 74 OK 16 100 - 16 - 10871/3.0=2, 3.2/9592=2...(5) HG3 LYS 39 + H MET 74 OK 16 73 - 21 - 5.2/6594=6, 9602/6.0=6...(4) QB ALA 22 + H MET 74 OK 13 92 - 14 - 4.4/7225=3, ~10448=2...(4) HG LEU 29 - H MET 74 lone 7 92 - 8 - Peak 9591 from nnoeabs.peaks (1.07, 7.75, 115.79 ppm; 5.43 A): 2 out of 4 assignments used, quality = 0.61: HG12 ILE 76 + H MET 74 OK 53 81 - 66 - 9595/4.0=21, 4.5/9583=15...(11) HG2 ARG 91 + H MET 74 OK 16 100 - 16 - 9595/4.0=3, 2.8/7219=3...(6) HG2 LYS 82 - H MET 74 lone 4 87 - 5 - 10928=1 HB3 ARG 81 - H MET 74 lone 2 70 - 2 - Peak 9592 from nnoeabs.peaks (0.81, 7.75, 115.79 ppm; 4.69 A): 7 out of 10 assignments used, quality = 0.95: QD1 ILE 76 + H MET 74 OK 63 92 - 69 - 2.1/9591=21, 4.7/9583=11...(14) QD2 LEU 2 + H MET 74 OK 34 100 - 34 - 12297/3.6=10, 83/4.7=9...(6) QD1 LEU 70 + H MET 74 OK 33 99 - 34 - 4.0/10857=12...(7) QD2 LEU 70 + H MET 74 OK 33 100 - 33 - 4.0/10857=12, 9577/4.7=4...(7) QD2 LEU 38 + H MET 74 OK 28 87 - 32 - 4.5/6579=8, 3.8/10858=7...(7) QG2 ILE 15 + H MET 74 OK 24 100 - 24 - 4.0/7231=4, 12297/3.6=2...(7) QG2 ILE 7 + H MET 74 OK 16 87 - 18 - 3.2/9590=3, ~10871=2...(8) QD2 LEU 57 - H MET 74 poor 8 77 - 10 - 9577/4.7=1, 2.1/7219=1 QD2 LEU 103 - H MET 74 lone 4 73 - 5 - QD1 LEU 57 - H MET 74 lone 4 70 - 5 - 2.1/7219=1 Peak 9593 from nnoeabs.peaks (0.71, 7.75, 115.79 ppm; 4.94 A): 5 out of 9 assignments used, quality = 0.70: QG2 VAL 78 + H MET 74 OK 31 81 - 38 - 2.1/3478=8, 2.1/3490=8...(9) QD2 LEU 14 + H MET 74 OK 28 100 - 28 - 4.8/9583=7, 633/4.6=4...(6) QD1 ILE 8 + H MET 74 OK 19 100 - 19 - 9615/4.8=2, 10850/3.6=2...(5) QD1 LEU 42 + H MET 74 OK 15 61 - 24 - 9615/4.8=10, 10594/4.8=4...(7) QD1 ILE 56 + H MET 74 OK 11 100 - 11 - QD1 ILE 52 - H MET 74 poor 9 84 - 10 - 9615/4.8=3, 3.2/7221=1 HG13 ILE 56 - H MET 74 lone 9 97 - 9 - QG1 VAL 58 - H MET 74 lone 8 84 - 9 - 10850/3.6=1 QG1 VAL 5 - H MET 74 lone 4 61 - 7 - Peak 9618 from nnoeabs.peaks (4.16, 8.08, 116.25 ppm; 4.41 A): 6 out of 7 assignments used, quality = 0.94: HA GLN 72 + H GLU 75 OK 64 98 - 65 - 9619/2.9=13...(18) HA LYS 13 + H GLU 75 OK 47 98 - 48 - 3.6/7245=9, 9619/2.9=7...(16) HA LYS 73 + H GLU 75 OK 45 90 - 50 - 3.6/7233=18...(12) HA MET 1 + H GLU 75 OK 29 100 - 29 - 3.0/7239=5, 10859/3.6=3...(10) HB2 SER 59 + H GLU 75 OK 13 100 - 13 - 2682/4.6=2, 9612/4.8=2...(7) HA GLU 23 + H GLU 75 OK 11 81 - 13 - 9619/2.9=3, 9650/4.6=3 HA LYS 47 - H GLU 75 lone 5 70 - 8 - 9650/4.6=1, 9619/2.9=1 Peak 9643 from nnoeabs.peaks (7.75, 7.56, 115.96 ppm; 4.58 A): 3 out of 4 assignments used, quality = 0.91: H MET 74 + H ILE 76 OK 74 100 - 74 - 4.6/7245=16, 9583=16...(16) H VAL 78 + H ILE 76 OK 48 99 - 48 - 7273/4.6=19, 9626/4.0=11...(8) H GLU 37 + H ILE 76 OK 38 96 - 40 - 4.6/8772=12, 7233/4.6=7...(12) H ASN 60 - H ILE 76 poor 7 61 - 12 - 4.6/9650=2, 7233/4.6=1...(4) Peak 9644 from nnoeabs.peaks (1.97, 7.56, 115.96 ppm; 4.35 A): 9 out of 10 assignments used, quality = 0.92: HB3 MET 74 + H ILE 76 OK 47 100 - 47 - 4.3/7245=16, 1.8/9645=12...(8) HB3 ARG 46 + H ILE 76 OK 25 98 - 26 - ~9014=6, 9670/4.7=5...(7) HB3 LYS 24 + H ILE 76 OK 24 100 - 24 - 2.9/1095=2, 10352/4.7=2...(11) HB2 LYS 24 + H ILE 76 OK 24 100 - 24 - 2.9/1095=2, 10352/4.7=2...(11) HB2 GLU 37 + H ILE 76 OK 23 87 - 26 - 4.1/9643=5, 8837/4.7=4...(10) HB2 LYS 73 + H ILE 76 OK 22 96 - 23 - 4.6/9643=9, 7236/4.6=3...(6) HB3 LYS 73 + H ILE 76 OK 21 94 - 23 - 4.6/9643=9, 7236/4.6=3...(6) HB2 ARG 46 + H ILE 76 OK 21 94 - 22 - 9670/4.7=6, ~9014=6...(5) HB2 LYS 47 + H ILE 76 OK 13 100 - 13 - 10352/4.7=3, 3.0/9650=2 QE MET 1 - H ILE 76 lone 9 90 - 10 - 8028/4.7=2, 5.3/9650=2 Peak 9645 from nnoeabs.peaks (2.06, 7.56, 115.96 ppm; 4.43 A): 8 out of 13 assignments used, quality = 0.84: HB2 MET 74 + H ILE 76 OK 53 100 - 53 - 4.3/7245=16, 9595/4.5=14...(8) HB2 GLU 16 + H ILE 76 OK 17 84 - 20 - 4.0/6227=6, 1.8/7251=4...(5) HB3 GLU 43 + H ILE 76 OK 16 100 - 16 - 10608/4.7=4, 9664/4.5=2...(5) HB3 GLU 48 + H ILE 76 OK 16 77 - 21 - 9664/4.5=5, ~2231=4...(6) HB3 GLU 88 + H ILE 76 OK 16 77 - 20 - 3.0/7249=3, 3.0/3862=3...(6) HB2 MET 21 + H ILE 76 OK 14 87 - 16 - 3.0/956=4, 4.3/8538=3...(5) HB3 LEU 38 + H ILE 76 OK 12 92 - 13 - 1641/4.6=4, 4.6/7247=2 HB3 GLU 35 + H ILE 76 OK 12 65 - 18 - 4.7/8772=11, 2.9/7250=1...(4) HG2 GLU 28 - H ILE 76 lone 2 100 - 2 - HG3 GLU 28 - H ILE 76 lone 2 100 - 2 - HB2 GLU 99 - H ILE 76 lone 1 61 - 2 - HB2 GLU 98 - H ILE 76 lone 1 65 - 2 - HB3 GLU 98 - H ILE 76 lone 1 61 - 2 - Peak 9647 from nnoeabs.peaks (0.72, 7.56, 115.96 ppm; 4.44 A): 5 out of 8 assignments used, quality = 0.83: QD2 LEU 14 + H ILE 76 OK 60 94 - 64 - 626=14, 2.1/618=12...(16) QD1 ILE 8 + H ILE 76 OK 33 96 - 35 - 2.1/7255=7, 9646/4.0=5...(10) QG2 VAL 78 + H ILE 76 OK 18 99 - 18 - 4.0/9643=7, 10291/4.0=5...(4) QD1 ILE 56 + H ILE 76 OK 13 92 - 14 - 9646/4.0=1, 326/4.0=1 HG13 ILE 56 + H ILE 76 OK 11 100 - 11 - 10677/610=1 QG1 VAL 58 - H ILE 76 lone 9 100 - 9 - 2670/618=1, 9381/4.1=1 QG1 VAL 5 - H ILE 76 lone 5 94 - 6 - QD2 LEU 27 - H ILE 76 lone 2 87 - 3 - Peak 9649 from nnoeabs.peaks (3.83, 7.56, 115.96 ppm; 4.47 A): 3 out of 5 assignments used, quality = 0.71: HA ALA 71 + H ILE 76 OK 50 92 - 55 - 10829=21, 10837/4.5=16...(9) HA ALA 22 + H ILE 76 OK 30 94 - 31 - 9648/4.0=9, 8590=7...(8) HA LYS 12 + H ILE 76 OK 16 61 - 26 - 3.6/6182=11, 2.9/6161=5...(4) HA ALA 67 - H ILE 76 poor 8 65 - 12 - 10829=3, 10837/4.5=2, 9651/4.0=2 HA SER 97 - H ILE 76 lone 2 61 - 4 - 9648/4.0=1 Peak 9650 from nnoeabs.peaks (4.15, 7.56, 115.96 ppm; 4.60 A): 6 out of 6 assignments used, quality = 0.85: HA LYS 13 + H ILE 76 OK 53 98 - 54 - 2.9/6182=13, 491=10...(15) HA GLN 72 + H ILE 76 OK 32 98 - 33 - 9619/3.5=14, 9618/4.6=5...(5) HA GLU 23 + H ILE 76 OK 27 100 - 27 - 1018=4, 3.0/6369=4...(10) HA MET 1 + H ILE 76 OK 15 94 - 16 - 9619/3.5=3, 8010/4.7=3...(4) HB2 SER 59 + H ILE 76 OK 15 92 - 16 - ~9405=5, 9404/3.0=4...(5) HA LYS 47 + H ILE 76 OK 13 99 - 13 - ~12339=2, 3.0/9644=2...(4) Peak 9671 from nnoeabs.peaks (5.05, 8.89, 126.14 ppm; 5.41 A): 1 out of 2 assignments used, quality = 0.49: HA LYS 53 + H ASP 77 OK 49 100 - 50 - 9678/3.9=27, 9636/4.3=25 HA SER 59 - H ASP 77 lone 2 73 - 3 - Peak 9683 from nnoeabs.peaks (1.42, 7.75, 122.84 ppm; 4.28 A): 4 out of 7 assignments used, quality = 0.86: QB ALA 71 + H VAL 78 OK 64 87 - 74 - 10292/4.0=20...(9) HG13 ILE 76 + H VAL 78 OK 41 81 - 50 - ~9635=13, 3.2/9626=11...(10) HG12 ILE 7 + H VAL 78 OK 27 100 - 27 - 10292/4.0=6, 9688/3.0=6...(7) HG2 LYS 13 + H VAL 78 OK 11 96 - 11 - 3.9/10848=1, 10292/4.0=1...(5) HG3 LYS 39 - H VAL 78 poor 9 61 - 15 - ~9690=3, 3.0/10899=2...(5) HG LEU 29 - H VAL 78 lone 7 84 - 9 - 7266/4.6=2, 10290/4.0=1 QB ALA 22 - H VAL 78 lone 7 84 - 8 - 10290/4.0=3, 10192/4.0=1 Peak 9684 from nnoeabs.peaks (1.90, 7.75, 122.84 ppm; 5.29 A): 5 out of 11 assignments used, quality = 0.82: HB VAL 54 + H VAL 78 OK 60 81 - 75 - 11103/3.0=30...(9) HB2 ARG 19 + H VAL 78 OK 25 97 - 26 - 789/4.6=7, 10349/3.8=6...(5) HB ILE 8 + H VAL 78 OK 23 99 - 23 - 10349/3.8=6, 10348/3.0=5...(7) HB3 LEU 14 + H VAL 78 OK 13 100 - 13 - 10349/3.8=3, 10348/3.0=2...(4) HG LEU 42 + H VAL 78 OK 11 100 - 11 - 10596/4.4=3, 10349/3.8=1 HB3 LYS 33 - H VAL 78 lone 7 73 - 9 - 4.1/8744=4, 4.4/8770=2 HB3 LYS 13 - H VAL 78 lone 7 77 - 8 - 3.0/9683=3, 3.0/10848=2 HB2 LYS 33 - H VAL 78 lone 6 65 - 9 - 4.1/8744=4, 4.4/8770=2 HB2 LYS 20 - H VAL 78 lone 6 92 - 6 - 10349/3.8=1, 10348/3.0=1 HB2 LYS 13 - H VAL 78 lone 6 70 - 8 - 3.0/9683=3, 3.0/10848=2 HB2 GLU 43 - H VAL 78 lone 3 97 - 3 - Peak 9692 from nnoeabs.peaks (0.43, 8.50, 125.64 ppm; 4.44 A): 2 out of 2 assignments used, quality = 0.78: QD1 LEU 55 + H ARG 79 OK 55 100 - 56 - 4.0/11118=17, 9252/4.1=8...(12) HG2 ARG 81 + H ARG 79 OK 52 99 - 52 - 9693/4.1=18, 9716/4.6=10...(12) Peak 9697 from nnoeabs.peaks (9.19, 8.50, 125.64 ppm; 4.34 A): 2 out of 3 assignments used, quality = 0.81: H ILE 56 + H ARG 79 OK 76 100 - 76 - 9300/3.6=23, 9297=19...(19) H THR 84 + H ARG 79 OK 21 92 - 23 - 11119/4.6=5, 9698/4.1=4...(6) H GLU 35 - H ARG 79 poor 7 73 - 10 - 9699/4.1=6 Peak 9715 from nnoeabs.peaks (0.74, 8.42, 118.08 ppm; 3.88 A): 3 out of 10 assignments used, quality = 0.89: QD1 LEU 64 + H THR 80 OK 66 100 - 66 - 10244/4.0=20...(11) HG3 ARG 81 + H THR 80 OK 55 99 - 55 - 1.8/9716=18, 4.9/7308=16...(12) QG1 VAL 78 + H THR 80 OK 32 100 - 32 - 3495/4.6=12...(6) QD2 LEU 27 - H THR 80 poor 8 77 - 11 - 2.1/7299=2, 1216/4.6=2 QG1 VAL 5 - H THR 80 poor 8 65 - 12 - 8179/2.9=3, 7318/4.6=2 QG1 VAL 54 - H THR 80 lone 6 70 - 8 - 7287/4.6=3, 4.0/7297=1 HG13 ILE 93 - H THR 80 lone 5 100 - 5 - 7318/4.6=1 QG2 ILE 93 - H THR 80 lone 5 98 - 5 - 7318/4.6=1 HG13 ILE 15 - H THR 80 lone 3 92 - 3 - QD1 ILE 15 - H THR 80 lone 1 77 - 1 - Peak 9716 from nnoeabs.peaks (0.42, 8.42, 118.08 ppm; 4.55 A): 2 out of 2 assignments used, quality = 0.88: HG2 ARG 81 + H THR 80 OK 78 97 - 80 - 10917/4.0=28...(15) QD1 LEU 55 + H THR 80 OK 43 77 - 56 - 9258/2.9=14, 9280/4.6=14...(13) Peak 9735 from nnoeabs.peaks (0.61, 8.76, 122.84 ppm; 4.52 A): 2 out of 2 assignments used, quality = 0.85: QG2 ILE 56 + H ARG 81 OK 79 94 - 84 - 9734/4.2=28, 9310=28...(17) QD1 ILE 7 + H ARG 81 OK 26 87 - 30 - 10373/4.2=12...(5) Peak 9736 from nnoeabs.peaks (0.83, 8.76, 122.84 ppm; 3.71 A): 4 out of 5 assignments used, quality = 0.88: QD1 LEU 57 + H ARG 81 OK 80 99 - 80 - 9338=38, 4.0/11122=22...(18) QG2 VAL 32 + H ARG 81 OK 18 100 - 18 - 10674/9735=2, 9723/4.4=2...(9) QD2 LEU 103 + H ARG 81 OK 17 99 - 17 - 9744/4.0=2, 9723/4.4=2...(7) QD2 LEU 38 + H ARG 81 OK 12 94 - 13 - 9744/4.0=2, 9723/4.4=2...(6) QD1 LEU 70 - H ARG 81 poor 9 73 - 13 - 9744/4.0=2, 3.1/7319=2...(6) Peak 9737 from nnoeabs.peaks (1.20, 8.76, 122.84 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.88: HB2 LEU 57 + H ARG 81 OK 88 99 - 88 - 2.9/11122=48...(10) Peak 9738 from nnoeabs.peaks (1.34, 8.76, 122.84 ppm; 5.22 A): 3 out of 12 assignments used, quality = 0.95: HB2 LYS 82 + H ARG 81 OK 82 100 - 82 - 3648/4.7=34, 3.0/9740=20...(15) HG LEU 14 + H ARG 81 OK 54 99 - 55 - 10399/4.2=15, 611/4.4=13...(12) HB3 LEU 27 + H ARG 81 OK 40 100 - 40 - 8634/4.0=14, 9743/3.0=6...(12) QB ALA 67 - H ARG 81 OK 30 96 - 31 - 9528/9310=6, 9732/4.2=6...(9) HG3 LYS 68 - H ARG 81 OK 29 99 - 30 - 12321/4.2=15, 9722/4.4=6...(5) QB ALA 89 - H ARG 81 OK 27 98 - 28 - 9931/9787=12...(6) HB3 LEU 2 - H ARG 81 OK 27 87 - 31 - 8047/3.6=11, 9732/4.2=4...(9) HG2 LYS 39 - H ARG 81 OK 20 100 - 20 - 7332/4.7=4, 12321/4.2=3...(5) QB ALA 25 - H ARG 81 OK 12 98 - 12 - 9743/3.0=2, 7332/4.7=1 HG2 LYS 94 - H ARG 81 lone 8 98 - 8 - 9732/4.2=1 HG3 LYS 40 - H ARG 81 lone 6 81 - 7 - 7332/4.7=2, 9743/3.0=1 HG12 ILE 8 - H ARG 81 lone 5 65 - 8 - 8312/9735=3, 9371/10712=2 Peak 9739 from nnoeabs.peaks (1.52, 8.76, 122.84 ppm; 4.94 A): 4 out of 10 assignments used, quality = 0.93: HG12 ILE 56 + H ARG 81 OK 70 98 - 72 - 3.2/9735=27, 4.9/9298=25...(12) HB2 LEU 14 + H ARG 81 OK 39 100 - 39 - 595/4.4=8, 3.0/7312=8...(12) HG2 ARG 79 + H ARG 81 OK 37 94 - 40 - 4.1/9740=13, 3540/4.6=8...(11) HG3 ARG 79 + H ARG 81 OK 36 92 - 39 - 4.1/9740=13, 3540/4.6=8...(9) HB ILE 7 - H ARG 81 OK 22 100 - 22 - 3.2/9735=9, 12206/4.2=2...(7) HG LEU 2 - H ARG 81 OK 18 92 - 20 - 3.0/9738=2, 12206/4.2=2...(10) HB3 LEU 103 - H ARG 81 OK 18 100 - 18 - 3.1/9736=5, 9742/3.0=2...(5) HG LEU 6 - H ARG 81 OK 17 100 - 17 - 6924/9298=2, 2573/9735=2...(8) HG3 ARG 30 - H ARG 81 OK 12 99 - 12 - 7301/4.6=3, 10639/3.6=2...(4) HG3 LYS 24 - H ARG 81 lone 2 70 - 2 - Peak 9740 from nnoeabs.peaks (4.71, 8.76, 122.84 ppm; 4.91 A): 2 out of 2 assignments used, quality = 0.93: HA LYS 82 + H ARG 81 OK 79 96 - 82 - ~3582=25, ~7324=17...(16) HA ARG 79 + H ARG 81 OK 65 100 - 65 - 3.6/7308=33, 9711/4.2=16...(13) Peak 9753 from nnoeabs.peaks (9.20, 8.76, 122.84 ppm; 4.40 A): 2 out of 2 assignments used, quality = 0.92: H ILE 56 + H ARG 81 OK 84 96 - 88 - 9298=43, 9299/3.6=21...(14) H THR 84 + H ARG 81 OK 52 99 - 53 - 4.0/9787=20...(10) Peak 9754 from nnoeabs.peaks (2.88, 8.72, 124.67 ppm; 4.91 A): 0 out of 4 assignments used, low quality = 0.37: HE2 LYS 39 - H LYS 82 OK 27 99 - 28 - 3668/4.0=5, 3.5/7332=5...(9) HE3 LYS 39 - H LYS 82 OK 14 100 - 14 - 3.5/7332=5, 9479/10247=3...(4) HE2 LYS 66 - H LYS 82 lone 5 61 - 8 - 9479/10247=3, 4.7/7333=2 HB2 ASN 60 - H LYS 82 lone 2 73 - 2 - 9479/10247=1 Peak 9755 from nnoeabs.peaks (0.68, 8.72, 124.67 ppm; 4.28 A): 2 out of 5 assignments used, quality = 0.92: QG2 VAL 58 + H LYS 82 OK 88 98 - 90 - 10711=33, 10228/3.0=29...(14) QD1 LEU 14 + H LYS 82 OK 29 99 - 30 - 9803/4.5=5, 9759/4.0=5...(11) QD1 LEU 42 - H LYS 82 OK 16 97 - 16 - 9759/4.0=3, 9803/4.5=3...(5) QD1 ILE 52 - H LYS 82 OK 16 84 - 18 - 2378/4.3=3, 2.1/7326=3...(7) QD2 LEU 6 - H LYS 82 OK 15 99 - 15 - 10232/4.5=5, 9759/4.0=2...(4) Peak 9770 from nnoeabs.peaks (8.53, 8.72, 124.67 ppm; 5.05 A): 2 out of 3 assignments used, quality = 0.70: H VAL 58 + H LYS 82 OK 62 77 - 81 - 11123/3.0=31...(10) H ASN 51 + H LYS 82 OK 21 97 - 22 - 11123/3.0=8, 10927/5.1=3...(8) H LEU 2 - H LYS 82 lone 6 65 - 9 - 11123/3.0=2, 9279/7327=2 Peak 9771 from nnoeabs.peaks (8.54, 9.11, 122.38 ppm; 3.90 A): 2 out of 4 assignments used, quality = 0.84: H VAL 58 + H VAL 83 OK 82 100 - 82 - 9395=49, 9372/3.6=22...(9) H ASN 51 + H VAL 83 OK 14 90 - 16 - 9788/4.0=4, 11123/3.6=3...(7) H GLN 50 - H VAL 83 lone 9 100 - 9 - 2661/10710=2, 9788/4.0=2...(4) H LYS 12 - H VAL 83 lone 1 70 - 2 - Peak 9772 from nnoeabs.peaks (5.06, 9.11, 122.38 ppm; 3.82 A): 1 out of 2 assignments used, quality = 0.70: HA SER 59 + H VAL 83 OK 70 99 - 71 - 10721=49, 10723/3.6=15...(7) HA LYS 53 - H VAL 83 poor 8 77 - 10 - 10935/3680=2, 9784/4.0=2...(5) Peak 9773 from nnoeabs.peaks (5.40, 9.11, 122.38 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.80: HA LEU 57 + H VAL 83 OK 80 94 - 85 - 3.6/9395=40, 9797/4.0=27...(11) Peak 9778 from nnoeabs.peaks (7.72, 9.11, 122.38 ppm; 5.65 A): 3 out of 5 assignments used, quality = 0.93: H ASN 60 + H VAL 83 OK 84 99 - 85 - 3.6/10721=45...(12) H LEU 64 + H VAL 83 OK 50 96 - 53 - 4.5/9801=11...(12) H SER 49 + H VAL 83 OK 18 100 - 18 - 6806/9395=4, 4.6/9771=3...(4) H ALA 25 - H VAL 83 poor 10 77 - 13 - 2.9/7344=2, 9392/10710=2...(5) H GLU 37 - H VAL 83 lone 7 73 - 9 - 5.0/7353=1 Peak 9801 from nnoeabs.peaks (0.84, 9.11, 122.38 ppm; 5.02 A): 3 out of 5 assignments used, quality = 0.60: QD1 LEU 57 + H VAL 83 OK 32 73 - 44 - 4.0/9773=28, 9363/4.0=7...(5) QD2 LEU 64 + H VAL 83 OK 30 61 - 49 - 9758/4.6=14, 9756/4.6=13...(8) QD1 LEU 38 + H VAL 83 OK 17 70 - 24 - 9758/4.6=8, 9756/4.6=7...(6) QG2 VAL 32 - H VAL 83 lone 7 87 - 8 - 2607/9773=1, 10155/4.0=1...(4) QD2 LEU 103 - H VAL 83 lone 4 70 - 6 - 2.1/7349=2, 3.1/7349=1 Peak 9802 from nnoeabs.peaks (0.77, 9.11, 122.38 ppm; 4.71 A): 6 out of 9 assignments used, quality = 0.62: QG1 VAL 54 + H VAL 83 OK 24 99 - 24 - 10662/4.6=11...(6) QD1 LEU 27 + H VAL 83 OK 16 100 - 17 - 1223/4.6=3, 9762/3691=3...(4) QD2 LEU 42 + H VAL 83 OK 14 100 - 14 - 2.1/9803=6, 10599/7346=3 QD1 LEU 6 + H VAL 83 OK 13 99 - 13 - 2.1/9803=7, 4.0/8200=2 QD1 ILE 15 + H VAL 83 OK 11 98 - 11 - 8467/3691=3...(3) QD1 ILE 93 + H VAL 83 OK 10 99 - 10 - 10318/4.0=4, 10321/4.6=1 QG2 ILE 52 - H VAL 83 poor 10 84 - 12 - 3.1/9803=4, 3.2/7348=2 HG13 ILE 15 - H VAL 83 poor 9 90 - 10 - 8463/7347=4...(4) QG2 ILE 93 - H VAL 83 lone 5 77 - 7 - 10319/4.0=1 Peak 9803 from nnoeabs.peaks (0.69, 9.11, 122.38 ppm; 3.67 A): 6 out of 6 assignments used, quality = 0.89: QG2 VAL 58 + H VAL 83 OK 62 87 - 72 - 10710=27, 4.0/9395=20...(14) QD1 LEU 14 + H VAL 83 OK 33 92 - 36 - 10402/4.0=8, 9805/4.0=5...(9) QD2 LEU 6 + H VAL 83 OK 25 100 - 24 - 10232=5, 9807/4.0=3...(11) QD1 LEU 42 + H VAL 83 OK 20 100 - 20 - 2.1/9802=3, 9807/4.0=2...(8) QD1 ILE 52 + H VAL 83 OK 16 97 - 16 - 9807/4.0=2, 3.1/9802=2...(9) QD1 ILE 56 + H VAL 83 OK 16 57 - 28 - 9806/4.0=5, 3.2/7345=5...(9) Peak 9830 from nnoeabs.peaks (0.69, 9.20, 113.18 ppm; 4.79 A): 6 out of 6 assignments used, quality = 0.94: QD1 LEU 14 + H THR 84 OK 62 92 - 68 - 9835/4.0=13...(15) QG2 VAL 58 + H THR 84 OK 40 87 - 46 - 10710/4.6=22...(7) QD2 LEU 6 + H THR 84 OK 33 100 - 33 - 10232/4.6=7, 4.6/11107=6...(10) QD1 LEU 42 + H THR 84 OK 28 100 - 28 - 9807/4.0=4, 3.1/9831=4...(9) QD1 ILE 56 + H THR 84 OK 27 57 - 47 - 9806/4.0=8, 2.1/2577=8...(12) QD1 ILE 52 + H THR 84 OK 21 97 - 21 - 9803/4.6=3, 9807/4.0=3...(8) Peak 9831 from nnoeabs.peaks (1.80, 9.20, 113.18 ppm; 4.50 A): 5 out of 7 assignments used, quality = 0.82: HB2 GLU 88 + H THR 84 OK 64 97 - 66 - 3.0/9921=14, 9816/4.0=13...(11) HB2 GLU 104 + H THR 84 OK 21 97 - 22 - 9816/4.0=4, 9920=3...(8) HB2 LEU 42 + H THR 84 OK 15 99 - 15 - 3.1/9830=4, 9816/4.0=3...(5) HB2 LYS 90 + H THR 84 OK 14 92 - 15 - 9816/4.0=5, 9813/4.0=3...(4) HB ILE 93 + H THR 84 OK 12 100 - 12 - 9816/4.0=3, 9813/4.0=2...(4) HB2 LYS 39 - H THR 84 lone 8 99 - 8 - 9816/4.0=2, 9813/4.0=2 HG3 ARG 46 - H THR 84 lone 4 77 - 6 - 3.0/9832=2, 3.0/9832=1 Peak 9832 from nnoeabs.peaks (1.96, 9.20, 113.18 ppm; 5.16 A): 3 out of 14 assignments used, quality = 0.55: HG3 GLU 88 + H THR 84 OK 40 73 - 55 - 1.8/9921=22, 3.0/9831=18...(6) HB3 LYS 24 + H THR 84 OK 14 100 - 14 - 4.0/9919=7, 9860/4.6=5 HB2 LYS 24 + H THR 84 OK 14 100 - 14 - 4.0/9919=7, 9860/4.6=5 HB3 ARG 46 - H THR 84 lone 6 100 - 6 - 9860/4.6=3, 3.0/9831=1 HB2 GLU 37 - H THR 84 lone 5 65 - 8 - 3.0/7360=2, 9860/4.6=1 QE MET 1 - H THR 84 lone 5 70 - 7 - 9860/4.6=3 HB2 ARG 46 - H THR 84 lone 4 77 - 6 - 9860/4.6=3, 3.0/9831=1 HB2 LYS 73 - H THR 84 lone 4 100 - 4 - 9860/4.6=2 HB3 LYS 73 - H THR 84 lone 4 100 - 4 - 9860/4.6=2 HB2 LYS 47 - H THR 84 lone 4 94 - 4 - 9860/4.6=2 HB3 MET 74 - H THR 84 lone 3 100 - 3 - 9860/4.6=1 HB VAL 32 - H THR 84 lone 3 61 - 4 - HB2 GLU 17 - H THR 84 lone 2 65 - 2 - HB2 MET 1 - H THR 84 lone 1 65 - 2 - Peak 9833 from nnoeabs.peaks (3.91, 9.20, 113.18 ppm; 5.48 A): 2 out of 7 assignments used, quality = 0.87: HA ALA 89 + H THR 84 OK 64 97 - 66 - 9928/4.0=42, 9825/4.0=13...(10) HB2 SER 85 + H THR 84 OK 62 99 - 63 - 4.0/7368=38, 3.0/9834=22...(10) HA GLU 63 - H THR 84 lone 7 98 - 7 - 7373/4.6=1 HB3 SER 9 - H THR 84 lone 6 65 - 9 - 3.0/7364=2, 10409/8399=2...(4) HB2 SER 102 - H THR 84 lone 6 81 - 7 - HA3 GLY 101 - H THR 84 lone 5 77 - 7 - 9824/4.0=1 HA TYR 41 - H THR 84 lone 2 61 - 3 - Peak 9834 from nnoeabs.peaks (5.13, 9.20, 113.18 ppm; 5.33 A): 3 out of 4 assignments used, quality = 0.65: HA SER 85 + H THR 84 OK 54 99 - 55 - 3.0/7368=41, 3.0/9833=14...(5) HA ILE 7 + H THR 84 OK 14 100 - 14 - 7372/4.6=4, 8239/6929=2...(4) HA LEU 3 + H THR 84 OK 11 100 - 11 - 7372/4.6=3, 8105/9701=1 HA TYR 4 - H THR 84 poor 9 87 - 10 - 7372/4.6=2, 8140/4.0=2 Peak 9844 from nnoeabs.peaks (7.45, 7.69, 115.56 ppm; 5.84 A): 0 out of 4 assignments used, low quality = 0.12: HE3 TRP 92 - H SER 85 OK 12 65 - 19 - 9848/4.0=5, 9794/9793=4...(5) HE ARG 19 - H SER 85 lone 9 100 - 9 - 7.4/6292=4, 11050/854=1 HE22 GLN 72 - H SER 85 lone 9 96 - 9 - 9848/4.0=2 HD22 ASN 26 - H SER 85 lone 2 61 - 3 - Peak 9859 from nnoeabs.peaks (2.10, 7.69, 115.56 ppm; 3.71 A): 4 out of 9 assignments used, quality = 0.86: HB VAL 83 + H SER 85 OK 54 96 - 57 - 9774=18, 4.4/7368=18...(7) HB3 PRO 86 + H SER 85 OK 44 100 - 44 - 9858/3.0=8, ~3790=6...(12) HB2 PRO 86 + H SER 85 OK 27 77 - 36 - ~9858=6, ~3790=6...(10) QE MET 21 + H SER 85 OK 26 98 - 27 - 993=8, 3.4/977=3...(8) HB2 GLU 23 - H SER 85 poor 10 65 - 15 - 4.6/10951=4, 4.0/6359=3...(4) HB2 LEU 64 - H SER 85 lone 9 96 - 10 - 7360/4.6=2, 3750/9779=1 HG3 GLU 104 - H SER 85 lone 6 97 - 7 - 3.0/10297=1 HG3 GLU 37 - H SER 85 lone 5 99 - 5 - HB3 GLU 62 - H SER 85 lone 2 73 - 2 - Peak 9860 from nnoeabs.peaks (1.97, 7.69, 115.56 ppm; 5.07 A): 0 out of 10 assignments used, low quality = 0.36: HB3 LYS 24 - H SER 85 OK 16 100 - 16 - 4.0/10951=9, 9832/4.6=3 HB2 LYS 24 - H SER 85 OK 16 100 - 16 - 4.0/10951=9, 9832/4.6=3 HB3 ARG 46 - H SER 85 OK 10 98 - 11 - 3.0/9861=6, 9832/4.6=1 QE MET 1 - H SER 85 poor 10 90 - 11 - 8036=3, 5.3/8001=2...(4) HB2 ARG 46 - H SER 85 lone 9 94 - 10 - 3.0/9861=6 HB2 LYS 47 - H SER 85 lone 7 100 - 7 - ~9866=3 HB2 LYS 73 - H SER 85 lone 6 96 - 6 - 3.0/7374=1 HB3 LYS 73 - H SER 85 lone 5 94 - 6 - 3.0/7374=1 HB2 GLU 37 - H SER 85 lone 4 87 - 5 - 9832/4.6=1, 3.0/9859=1 HB3 MET 74 - H SER 85 lone 4 100 - 4 - Peak 9861 from nnoeabs.peaks (1.83, 7.69, 115.56 ppm; 4.79 A): 0 out of 5 assignments used, low quality = 0.28: HB3 LEU 57 - H SER 85 OK 20 96 - 20 - 9344/3.0=4, 9356/9779=3...(6) HB2 LYS 53 - H SER 85 OK 10 94 - 11 - 9202/3.0=3, ~9203=3...(4) HG2 ARG 46 - H SER 85 lone 9 97 - 10 - 3.0/9860=4, 3.0/9860=3 HB3 LYS 90 - H SER 85 lone 9 100 - 9 - 8603/10951=2, 10259/9863=1 HB2 LYS 68 - H SER 85 lone 8 98 - 9 - 10259/9863=3, 2.9/9862=2 Peak 9862 from nnoeabs.peaks (1.34, 7.69, 115.56 ppm; 5.70 A): 3 out of 10 assignments used, quality = 0.91: HG LEU 14 + H SER 85 OK 64 90 - 71 - 2.1/10413=23, ~9867=16...(14) QB ALA 89 + H SER 85 OK 61 100 - 61 - 2.9/10303=20...(13) QB ALA 25 + H SER 85 OK 34 100 - 35 - 10130/4.8=12...(6) HG2 LYS 94 - H SER 85 OK 17 100 - 17 - ~9866=3, 9878/4.8=1...(4) HG3 LYS 68 - H SER 85 OK 17 92 - 18 - 2.9/9861=6, 12321/9863=2 HB2 LYS 82 - H SER 85 OK 15 99 - 15 - 12220/9774=3...(5) HB3 LEU 27 - H SER 85 OK 15 99 - 15 - ~10487=3, ~10488=3...(4) HB3 LEU 2 - H SER 85 OK 13 98 - 13 - 9878/4.8=2, 9878/4.8=2, ~10956=1 HG2 LYS 39 - H SER 85 OK 11 98 - 11 - 10570/10413=2 QB ALA 67 - H SER 85 OK 10 100 - 10 - 9732/9863=1, 9818/9779=1 Peak 9863 from nnoeabs.peaks (0.98, 7.69, 115.56 ppm; 4.05 A): 2 out of 3 assignments used, quality = 0.60: QG2 VAL 83 + H SER 85 OK 43 65 - 65 - 4.0/7368=24, 2.1/9774=19...(9) QG2 THR 80 + H SER 85 OK 31 100 - 31 - 10914/4.6=8, 10948/4.3=5...(10) HG LEU 55 - H SER 85 poor 7 70 - 11 - 2536/4.6=3, 10948/4.3=2 Peak 9864 from nnoeabs.peaks (0.69, 7.69, 115.56 ppm; 4.54 A): 5 out of 6 assignments used, quality = 0.89: QD1 LEU 14 + H SER 85 OK 72 92 - 78 - 10413=20, 9867/3.0=17...(20) QD2 LEU 6 + H SER 85 OK 28 100 - 28 - 9867/3.0=7, 10955/4.0=4...(8) QG2 VAL 58 + H SER 85 OK 23 87 - 26 - 9867/3.0=4, 9830/4.6=4...(11) QD1 LEU 42 + H SER 85 OK 19 100 - 19 - 9867/3.0=3, 9830/4.6=3...(6) QD1 ILE 52 + H SER 85 OK 16 97 - 16 - 9867/3.0=3, 9830/4.6=2...(5) QD1 ILE 56 - H SER 85 poor 10 57 - 17 - 5.0/7368=4, 9830/4.6=3...(7) Peak 9897 from nnoeabs.peaks (7.43, 8.13, 115.38 ppm; 4.66 A): 2 out of 4 assignments used, quality = 0.83: H ALA 89 + H ASP 87 OK 72 87 - 83 - 9924/2.9=24...(17) HE3 TRP 92 + H ASP 87 OK 42 98 - 43 - 9854/3.5=7, 4.2/4095=6...(11) HE22 GLN 72 - H ASP 87 lone 9 99 - 9 - 9854/3.5=2 HE ARG 19 - H ASP 87 lone 3 77 - 4 - Peak 9898 from nnoeabs.peaks (5.13, 8.13, 115.38 ppm; 4.57 A): 3 out of 4 assignments used, quality = 0.74: HA SER 85 + H ASP 87 OK 63 92 - 69 - 3.0/9849=18, 10954=16...(9) HA ILE 7 + H ASP 87 OK 17 99 - 17 - 9858/3.9=4, 9855/3.5=4...(4) HA LEU 3 + H ASP 87 OK 16 100 - 16 - 9855/3.5=5, 9858/3.9=5...(4) HA TYR 4 - H ASP 87 lone 3 70 - 4 - Peak 9899 from nnoeabs.peaks (1.34, 8.13, 115.38 ppm; 5.60 A): 3 out of 10 assignments used, quality = 0.97: QB ALA 89 + H ASP 87 OK 85 100 - 85 - 3.6/10963=31...(14) HG LEU 14 + H ASP 87 OK 58 90 - 65 - 8407/3.5=22, 2.1/9900=18...(12) QB ALA 25 + H ASP 87 OK 47 100 - 47 - 8607/4.5=13, 8624/3.9=9...(10) HG2 LYS 94 - H ASP 87 OK 35 100 - 35 - 4.9/7503=6, 12252/3.9=5...(11) HB3 LEU 2 - H ASP 87 OK 18 98 - 18 - 9882/3.9=5, 9880/3.5=3...(4) HB2 LYS 82 - H ASP 87 OK 14 99 - 14 - 12220/3.9=2, 12220/3.9=2 HG2 LYS 39 - H ASP 87 OK 13 98 - 13 - 10570/9900=2, 9880/3.5=1 HG3 LYS 68 - H ASP 87 OK 12 92 - 13 - ~9953=5, 9880/3.5=1 QB ALA 67 - H ASP 87 OK 11 100 - 11 - 9880/3.5=2, 9882/3.9=2 HB3 LEU 27 - H ASP 87 lone 9 99 - 9 - Peak 9900 from nnoeabs.peaks (0.69, 8.13, 115.38 ppm; 5.44 A): 5 out of 6 assignments used, quality = 0.86: QD1 LEU 14 + H ASP 87 OK 66 92 - 72 - 9881/3.5=28, 4.0/9903=13...(18) QD1 LEU 42 + H ASP 87 OK 26 100 - 26 - 9881/3.5=4, 3.1/9901=3...(6) QG2 VAL 58 + H ASP 87 OK 21 87 - 24 - 9881/3.5=7, 10219/3.9=6...(7) QD2 LEU 6 + H ASP 87 OK 16 100 - 15 - 9881/3.5=4, 9867/9898=2...(6) QD1 ILE 52 + H ASP 87 OK 15 97 - 15 - 9151/10963=3, 9881/3.5=2 QD1 ILE 56 - H ASP 87 lone 4 57 - 7 - 8602/4.5=1 Peak 9901 from nnoeabs.peaks (1.81, 8.13, 115.38 ppm; 4.90 A): 2 out of 8 assignments used, quality = 0.94: HB2 LYS 90 + H ASP 87 OK 85 100 - 85 - 4.1/10963=23, ~9953=23...(15) HB2 GLU 88 + H ASP 87 OK 58 99 - 59 - 3.9/7386=20, 4.3/9897=16...(16) HB ILE 93 - H ASP 87 OK 23 90 - 26 - 3.9/7482=6, 4.4/7503=5...(7) HB2 LEU 42 - H ASP 87 OK 21 97 - 21 - 3.1/9900=5, 9908/2.9=4...(5) HB2 GLU 104 - H ASP 87 OK 17 99 - 17 - 3872/4.5=4, 9908/2.9=3...(4) HG2 ARG 46 - H ASP 87 OK 15 90 - 16 - 3.0/9902=2, 9908/2.9=2...(6) HB3 LEU 57 - H ASP 87 OK 11 92 - 12 - 10215/3.9=2, 9908/2.9=1 HB2 LYS 39 - H ASP 87 lone 6 73 - 8 - 3.0/9899=1 Peak 9902 from nnoeabs.peaks (1.95, 8.13, 115.38 ppm; 5.76 A): 7 out of 12 assignments used, quality = 0.84: HG3 GLU 88 + H ASP 87 OK 47 99 - 47 - 4.9/7386=20, 3.0/9901=10...(11) HB2 LYS 24 + H ASP 87 OK 28 77 - 36 - 4.0/7386=13, 3.0/7376=11...(8) HB3 LYS 24 + H ASP 87 OK 28 77 - 36 - 4.0/7386=13, 3.0/7376=11...(8) HB3 ARG 46 + H ASP 87 OK 16 87 - 18 - 4.0/10963=3, 3.0/9901=3...(6) HB2 GLU 17 + H ASP 87 OK 13 98 - 14 - 592/9903=4, 735/9903=2...(4) HB2 MET 1 + H ASP 87 OK 11 98 - 12 - 3.0/7380=4, 9894/3.5=3 HB VAL 32 + H ASP 87 OK 10 97 - 11 - 10158/3.9=3, 9894/3.5=2 HB3 LYS 20 - H ASP 87 poor 9 84 - 10 - 9894/3.5=2, 9866/9898=1 HB3 LYS 73 - H ASP 87 lone 5 94 - 5 - HB3 ARG 19 - H ASP 87 lone 5 65 - 7 - ~9910=2 HB2 LYS 73 - H ASP 87 lone 5 92 - 5 - HB3 MET 74 - H ASP 87 lone 2 77 - 3 - Peak 9903 from nnoeabs.peaks (3.68, 8.13, 115.38 ppm; 5.01 A): 3 out of 3 assignments used, quality = 0.90: HA LYS 90 + H ASP 87 OK 69 77 - 89 - 3.0/10963=29, ~9951=23...(19) HA LEU 14 + H ASP 87 OK 59 100 - 59 - 8422/3.5=25, 4.0/9900=11...(14) HB THR 80 + H ASP 87 OK 19 99 - 19 - 9886/3.9=4, 9885/3.5=3...(6) Peak 9912 from nnoeabs.peaks (0.99, 7.57, 119.96 ppm; 4.51 A): 4 out of 4 assignments used, quality = 0.80: QG2 THR 80 + H GLU 88 OK 58 89 - 65 - 9914/4.9=19, 9915/4.9=19...(10) QG1 VAL 83 + H GLU 88 OK 32 55 - 58 - 9927/4.6=19, 9917/3.9=17...(9) QG2 THR 80 + H LYS 24 OK 20 92 - 22 - 9915/3886=4, 9914/3893=3...(8) QG1 VAL 83 + H LYS 24 OK 11 57 - 19 - 4.0/9919=5, 9927/7400=5...(5) Peak 9919 from nnoeabs.peaks (9.20, 7.57, 120.01 ppm; 5.29 A): 3 out of 4 assignments used, quality = 0.74: H THR 84 + H GLU 88 OK 54 100 - 54 - 9831/3.9=16, 9921/4.9=15...(8) H THR 84 + H LYS 24 OK 28 99 - 29 - 4.6/10951=8, 9832/4.0=4...(8) H ILE 56 + H GLU 88 OK 21 90 - 24 - 9921/4.9=6, 9920/3.9=5...(6) H ILE 56 - H LYS 24 lone 7 87 - 8 - 10914/9912=1, 9921/3886=1 Peak 9923 from nnoeabs.peaks (4.12, 7.42, 118.87 ppm; 3.92 A): 0 out of 4 assignments used, low quality = 0.43: HA LYS 24 - H ALA 89 OK 33 81 - 41 - 3.0/7400=13, 10971/2.9=9...(10) HA GLU 104 - H ALA 89 OK 14 90 - 16 - 3.0/3878=4, 4516/4.3=4...(4) HA GLU 62 - H ALA 89 lone 6 98 - 6 - 3.0/7403=2 HA GLU 99 - H ALA 89 lone 4 96 - 4 - 3.6/10304=2 Peak 9924 from nnoeabs.peaks (4.23, 7.42, 118.87 ppm; 4.58 A): 1 out of 3 assignments used, quality = 0.73: HA ASP 87 + H ALA 89 OK 73 97 - 76 - 10962/4.5=20...(16) HA SER 49 - H ALA 89 lone 3 81 - 4 - 9055/9927=1 HB THR 31 - H ALA 89 lone 3 92 - 3 - Peak 9925 from nnoeabs.peaks (0.70, 7.42, 118.87 ppm; 4.06 A): 6 out of 8 assignments used, quality = 0.82: QD2 LEU 14 + H ALA 89 OK 49 87 - 56 - 2.1/8402=20, 2.1/8404=9...(18) QD1 LEU 14 + H ALA 89 OK 33 61 - 54 - 8402=10, 2.1/8404=9...(19) QD1 LEU 42 + H ALA 89 OK 19 96 - 19 - 9943/4.5=4, 9930/3.0=4...(6) QD1 ILE 56 + H ALA 89 OK 17 90 - 19 - 9930/3.0=2, 10682/9927=2...(7) QD1 ILE 52 + H ALA 89 OK 13 100 - 13 - 9151/4.5=4, 9930/3.0=3 QD2 LEU 6 + H ALA 89 OK 10 92 - 11 - 9930/3.0=2, 9943/4.5=1 QD1 ILE 8 - H ALA 89 lone 7 84 - 8 - HG13 ILE 56 - H ALA 89 poor 7 65 - 10 - 9806/9780=1, ~9930=1, 624/8402=1 Peak 9926 from nnoeabs.peaks (0.82, 7.42, 118.87 ppm; 4.51 A): 3 out of 10 assignments used, quality = 0.64: QD1 LEU 57 + H ALA 89 OK 51 90 - 57 - ~9929=13, 9341=13...(13) QD2 LEU 2 + H ALA 89 OK 17 96 - 17 - 9929/3.0=3, 79/2.9=2...(7) QD1 ILE 76 + H ALA 89 OK 14 73 - 18 - 9929/3.0=4, 9630/4.5=2...(6) QG2 ILE 15 - H ALA 89 lone 8 97 - 9 - ~9932=2, 9929/3.0=2, ~8456=1 QD2 LEU 70 - H ALA 89 lone 8 94 - 8 - 9929/3.0=2 QD1 LEU 70 - H ALA 89 lone 7 100 - 6 - ~9929=1 QG2 ILE 7 - H ALA 89 lone 6 65 - 10 - 9929/3.0=2, 8283/10976=1 QD2 LEU 38 - H ALA 89 lone 6 98 - 6 - 3.1/7403=2, 1653/4.3=1 QG2 VAL 32 - H ALA 89 lone 6 77 - 7 - 2.1/7405=3, 10155/4.3=1 QD2 LEU 103 - H ALA 89 lone 2 92 - 2 - Peak 9927 from nnoeabs.peaks (1.00, 7.42, 118.87 ppm; 3.52 A): 2 out of 2 assignments used, quality = 0.73: QG1 VAL 83 + H ALA 89 OK 63 81 - 79 - 9928/3.0=29, 2.1/9780=14...(18) QG2 THR 80 + H ALA 89 OK 26 73 - 36 - 9913/4.3=7, 9917/4.3=7...(12) Peak 9934 from nnoeabs.peaks (6.87, 7.42, 118.87 ppm; 5.22 A): 4 out of 5 assignments used, quality = 0.92: HD1 TRP 92 + H ALA 89 OK 84 100 - 84 - 9935/3.0=26, 9936/2.9=22...(19) HD21 ASN 60 + H ALA 89 OK 34 100 - 34 - 9936/2.9=10, 9935/3.0=8...(11) HE21 GLN 72 + H ALA 89 OK 12 57 - 20 - 12225/4.3=3, 9935/3.0=3...(8) HE1 TYR 41 + H ALA 89 OK 10 70 - 14 - 14610/3.0=4, 12225/4.3=2...(4) HE2 TYR 41 - H ALA 89 poor 8 61 - 13 - 14610/3.0=3, 12225/4.3=1 Peak 9941 from nnoeabs.peaks (0.98, 8.05, 114.83 ppm; 5.34 A): 2 out of 3 assignments used, quality = 0.74: QG2 VAL 83 + H LYS 90 OK 54 87 - 62 - 9931/3.6=22, 9825/3.6=16...(11) QG2 THR 80 + H LYS 90 OK 44 99 - 45 - 10259/4.1=8, 9727/8497=6...(15) HG LEU 55 - H LYS 90 lone 6 90 - 7 - 9931/3.6=1, 10259/4.1=1 Peak 9942 from nnoeabs.peaks (0.77, 8.05, 114.83 ppm; 4.61 A): 6 out of 9 assignments used, quality = 0.94: QD1 ILE 93 + H LYS 90 OK 71 100 - 71 - 10025/3.0=22...(18) QD2 LEU 42 + H LYS 90 OK 43 99 - 44 - 2.1/9943=8, 3.1/7419=7...(12) QD1 ILE 15 + H LYS 90 OK 32 87 - 38 - 3.2/7421=8, 2.1/3979=7...(11) HG13 ILE 15 + H LYS 90 OK 25 70 - 36 - 2.9/7421=9, 1.8/3979=7...(11) QD1 LEU 27 + H LYS 90 OK 17 100 - 17 - 9932/3.6=4...(6) QG2 ILE 52 + H LYS 90 OK 13 97 - 13 - 3.1/9151=6, 9955/4.6=2 QG1 VAL 54 - H LYS 90 lone 9 92 - 10 - 10657/10602=1...(3) QD1 LEU 6 - H LYS 90 lone 8 100 - 8 - 2.1/9943=2, 9932/3.6=1 QG2 ILE 8 - H LYS 90 lone 4 77 - 5 - 3.0/9943=1 Peak 9943 from nnoeabs.peaks (0.70, 8.05, 114.83 ppm; 5.18 A): 6 out of 8 assignments used, quality = 0.91: QD1 LEU 42 + H LYS 90 OK 49 96 - 51 - 2.1/9942=8, 3.1/7419=8...(14) QD2 LEU 14 + H LYS 90 OK 47 87 - 55 - 9925/4.5=10, 9930/3.6=8...(17) QD1 LEU 14 + H LYS 90 OK 32 61 - 53 - 9930/3.6=11, 8402/4.5=8...(15) QD1 ILE 52 + H LYS 90 OK 27 100 - 27 - 9151=12, 9930/3.6=4...(5) QD1 ILE 56 + H LYS 90 OK 16 90 - 18 - 9925/4.5=4, 9930/3.6=3...(7) QD2 LEU 6 + H LYS 90 OK 14 92 - 15 - 9930/3.6=3, 9925/4.5=2 QD1 ILE 8 - H LYS 90 poor 8 84 - 10 - 10877/9627=2, 9925/4.5=1 HG13 ILE 56 - H LYS 90 poor 7 65 - 10 - ~9323=2, ~9321=2...(4) Peak 9944 from nnoeabs.peaks (2.09, 8.05, 114.83 ppm; 4.29 A): 3 out of 9 assignments used, quality = 0.97: QE MET 21 + H LYS 90 OK 77 98 - 78 - 8537=31, 8543/3.0=19...(20) HB3 PRO 86 + H LYS 90 OK 67 87 - 77 - 4.9/9951=21, 2.3/9852=20...(21) HB3 GLU 88 + H LYS 90 OK 61 77 - 79 - 4.3/7408=25, 3.0/7412=16...(16) HB2 GLU 23 - H LYS 90 OK 25 98 - 26 - 4.6/7411=5, 9933/3.6=4...(10) HB3 GLU 62 - H LYS 90 OK 24 99 - 24 - 4.6/10977=14...(3) HG3 GLU 104 - H LYS 90 OK 22 99 - 22 - 4544/4.1=3, 3.0/7417=2...(12) HB3 GLU 35 - H LYS 90 OK 15 87 - 18 - 10308/4.1=2, 9933/3.6=2...(8) HB2 GLU 16 - H LYS 90 lone 6 70 - 9 - 9933/3.6=1 HG3 GLU 37 - H LYS 90 lone 3 70 - 4 - Peak 9945 from nnoeabs.peaks (2.51, 8.05, 114.83 ppm; 5.55 A): 5 out of 9 assignments used, quality = 0.95: HB2 ASP 87 + H LYS 90 OK 69 90 - 77 - 3.0/9951=47...(9) HB3 ASP 87 + H LYS 90 OK 69 90 - 77 - 3.0/9951=47...(9) HG3 GLU 63 + H LYS 90 OK 32 97 - 33 - 4.8/10977=23, 2794/3.6=4...(4) HG3 GLU 23 + H LYS 90 OK 13 65 - 20 - 10975/4.5=4, 2.9/9944=4...(5) HB2 ASP 61 + H LYS 90 OK 12 100 - 12 - 4.4/10977=6, 8798/10977=3 HB2 ASP 36 - H LYS 90 lone 9 100 - 9 - 8797/4.6=1, 8798/10977=1 HB3 ASP 36 - H LYS 90 lone 9 100 - 9 - 8797/4.6=1, 8798/10977=1 HG3 GLU 95 - H LYS 90 lone 6 70 - 9 - 11015/4.5=3...(3) HG2 MET 74 - H LYS 90 lone 3 61 - 6 - 7023/10977=1 Peak 9950 from nnoeabs.peaks (4.10, 8.05, 114.83 ppm; 4.80 A): 2 out of 2 assignments used, quality = 0.86: HA PRO 86 + H LYS 90 OK 73 92 - 80 - 9852=27, 3.5/10963=23...(15) HA LYS 24 + H LYS 90 OK 48 100 - 48 - 10971/3.6=16...(12) Peak 9951 from nnoeabs.peaks (4.21, 8.05, 114.83 ppm; 3.92 A): 1 out of 1 assignment used, quality = 0.84: HA ASP 87 + H LYS 90 OK 84 96 - 88 - 10962=35, 2.9/10963=18...(21) Peak 9955 from nnoeabs.peaks (0.77, 7.47, 119.03 ppm; 5.47 A): 6 out of 9 assignments used, quality = 0.92: QD1 ILE 93 + H ARG 91 OK 68 100 - 68 - 10025/3.6=25...(17) QD2 LEU 42 + H ARG 91 OK 34 99 - 34 - 3.1/7435=6, 9942/4.6=6...(9) QD1 ILE 15 + H ARG 91 OK 27 87 - 31 - 3.2/7437=10, 2.1/3989=6...(5) QD1 LEU 27 + H ARG 91 OK 20 100 - 20 - 3.1/10991=3, 9942/4.6=3...(7) HG13 ILE 15 + H ARG 91 OK 20 70 - 29 - 2.9/7437=10, 1.8/3989=6...(5) QG2 ILE 52 + H ARG 91 OK 17 97 - 17 - 9942/4.6=2, 2352/3.9=2...(5) QG1 VAL 54 - H ARG 91 lone 9 92 - 10 - 9942/4.6=1, 10653/7435=1 QD1 LEU 6 - H ARG 91 lone 6 100 - 6 - 9942/4.6=1 QG2 ILE 8 - H ARG 91 lone 4 77 - 6 - Peak 9963 from nnoeabs.peaks (4.23, 7.47, 119.03 ppm; 4.54 A): 1 out of 3 assignments used, quality = 0.84: HA ASP 87 + H ARG 91 OK 84 97 - 87 - 9896=27, 9953/4.1=21...(21) HA SER 49 - H ARG 91 lone 5 81 - 6 - 2.9/9076=2 HB THR 31 - H ARG 91 lone 3 92 - 3 - Peak 9966 from nnoeabs.peaks (7.23, 10.29, 128.25 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.96: HH2 TRP 92 + HE1 TRP 92 OK 96 96 - 100 - 5.0=100 H THR 34 - HE1 TRP 92 OK 11 81 - 14 - 14553/2.8=4, 14541/5.3=4 Peak 9967 from nnoeabs.peaks (8.13, 10.29, 128.25 ppm; 5.74 A): 3 out of 3 assignments used, quality = 0.92: H TRP 92 + HE1 TRP 92 OK 82 97 - 84 - 7.5=44, 7466/2.6=29...(7) H ASP 87 + HE1 TRP 92 OK 46 100 - 47 - 14645/2.6=13...(9) H GLY 100 + HE1 TRP 92 OK 18 94 - 19 - 14645/2.6=5, 4080/6.3=3...(5) Peak 9970 from nnoeabs.peaks (3.64, 10.29, 128.25 ppm; 5.70 A): 1 out of 1 assignment used, quality = 0.54: HA GLU 88 + HE1 TRP 92 OK 54 70 - 78 - 3.0/12227=32...(10) Peak 9971 from nnoeabs.peaks (3.09, 10.29, 128.25 ppm; 6.43 A): 1 out of 3 assignments used, quality = 0.98: HB2 TRP 92 + HE1 TRP 92 OK 98 98 - 100 - 5.3=100 HB2 PHE 96 - HE1 TRP 92 OK 38 99 - 38 - 5528/2.6=10, 4082/6.3=9...(8) HD3 ARG 30 - HE1 TRP 92 poor 10 90 - 10 - 5528/2.6=2, 14640/5.3=2 Peak 9972 from nnoeabs.peaks (2.10, 10.29, 128.25 ppm; 4.49 A): 6 out of 9 assignments used, quality = 0.93: HB VAL 83 + HE1 TRP 92 OK 84 96 - 88 - 2.1/10295=42...(12) HB3 PRO 86 + HE1 TRP 92 OK 25 100 - 25 - 3.9/9967=6, 14631/2.6=4...(10) HB2 PRO 86 + HE1 TRP 92 OK 16 77 - 21 - 3.9/9967=6, ~14631=3...(9) HG3 GLU 104 + HE1 TRP 92 OK 14 97 - 15 - 3.0/12226=5, 14631/2.6=2...(5) HG3 GLU 37 + HE1 TRP 92 OK 14 99 - 14 - 8814/5.0=7, 8815/2.6=2 HB2 LEU 64 + HE1 TRP 92 OK 11 96 - 11 - 3756/10295=3...(5) QE MET 21 - HE1 TRP 92 lone 8 98 - 8 - 8543/9970=2, 14631/2.6=1 HB2 GLU 23 - HE1 TRP 92 lone 2 65 - 3 - HB3 GLU 62 - HE1 TRP 92 lone 1 73 - 2 - Peak 9973 from nnoeabs.peaks (1.94, 10.29, 128.25 ppm; 4.80 A): 1 out of 10 assignments used, quality = 0.71: HG3 GLU 88 + HE1 TRP 92 OK 71 100 - 71 - 3.0/12227=22...(10) HB3 ARG 46 - HE1 TRP 92 lone 7 70 - 9 - 3.0/9974=3, 2084/5.3=1 HB VAL 32 - HE1 TRP 92 lone 6 100 - 6 - 10158/12227=2 HB3 LYS 20 - HE1 TRP 92 lone 5 96 - 5 - 9814/10295=1 HB3 LYS 47 - HE1 TRP 92 lone 4 65 - 5 - 9814/10295=1 HB3 ARG 19 - HE1 TRP 92 lone 3 84 - 4 - HB2 GLU 17 - HE1 TRP 92 lone 2 100 - 2 - HB2 MET 1 - HE1 TRP 92 lone 2 100 - 2 - HB3 LYS 73 - HE1 TRP 92 lone 2 81 - 2 - HB2 LYS 73 - HE1 TRP 92 lone 2 77 - 2 - Peak 9974 from nnoeabs.peaks (1.80, 10.29, 128.25 ppm; 4.34 A): 6 out of 7 assignments used, quality = 0.86: HB2 GLU 88 + HE1 TRP 92 OK 71 98 - 72 - 3.0/9970=20, 3.0/9973=19...(12) HB2 GLU 104 + HE1 TRP 92 OK 20 98 - 21 - 12226=5, 12224/2.6=3...(11) HB2 LYS 90 + HE1 TRP 92 OK 13 94 - 14 - 10308/12227=2...(7) HB2 LEU 42 + HE1 TRP 92 OK 12 99 - 12 - ~14634=5, 14632/2.6=2...(5) HB ILE 93 + HE1 TRP 92 OK 12 100 - 12 - 2.1/10001=2, 3.0/10001=1...(4) HG3 ARG 46 + HE1 TRP 92 OK 10 73 - 14 - ~5529=3, ~14529=3...(4) HB2 LYS 39 - HE1 TRP 92 lone 6 99 - 6 - Peak 9975 from nnoeabs.peaks (1.73, 10.29, 128.25 ppm; 5.12 A): 5 out of 7 assignments used, quality = 0.75: HD2 ARG 81 + HE1 TRP 92 OK 43 100 - 43 - 3.0/10000=16...(5) HB ILE 15 + HE1 TRP 92 OK 29 99 - 29 - 2.1/9999=7, 2.9/10001=5...(8) HB3 LEU 70 + HE1 TRP 92 OK 18 92 - 20 - 3.1/9999=5, 3.1/9999=4...(6) HD3 LYS 33 + HE1 TRP 92 OK 14 100 - 14 - 14667/2.8=4, ~14667=4 HD2 LYS 33 + HE1 TRP 92 OK 14 100 - 14 - 14667/2.8=4, ~14667=4 HD2 LYS 90 - HE1 TRP 92 poor 8 81 - 10 - 3.6/9974=3, ~10003=1...(4) HB2 GLU 28 - HE1 TRP 92 lone 2 70 - 2 - Peak 9983 from nnoeabs.peaks (0.79, 8.14, 118.10 ppm; 4.13 A): 3 out of 8 assignments used, quality = 0.56: QD2 LEU 57 + H TRP 92 OK 32 96 - 34 - 9985/4.0=9, 9991/4.0=6...(11) QD1 ILE 76 + H TRP 92 OK 23 84 - 27 - 2.1/7459=9, 2.1/7460=4...(9) QD1 ILE 93 + H TRP 92 OK 16 65 - 25 - 5.0/7482=13, 9955/4.6=3...(7) QG2 ILE 52 - H TRP 92 lone 8 94 - 8 - 3.2/7460=2, 2350/8.7=1 QG2 ILE 7 - H TRP 92 lone 7 90 - 8 - 9985/4.0=2, 9991/4.0=1 QD1 LEU 27 - H TRP 92 lone 5 61 - 8 - 3.1/7460=1, 3.1/10994=1 QG2 ILE 8 - H TRP 92 lone 4 100 - 4 - QD1 LEU 6 - H TRP 92 lone 1 70 - 2 - Peak 9998 from nnoeabs.peaks (1.02, 10.29, 128.25 ppm; 3.55 A): 2 out of 2 assignments used, quality = 0.79: QG1 VAL 83 + HE1 TRP 92 OK 77 99 - 77 - 10295=35, 9796/2.6=21...(17) HB3 LEU 55 + HE1 TRP 92 OK 12 87 - 14 - 3.1/10000=6, ~14637=3...(4) Peak 9999 from nnoeabs.peaks (0.81, 10.29, 128.25 ppm; 4.76 A): 7 out of 9 assignments used, quality = 0.91: QD2 LEU 57 + HE1 TRP 92 OK 54 92 - 59 - ~9342=13, 9808/10295=11...(14) QG2 ILE 15 + HE1 TRP 92 OK 33 99 - 34 - 2.1/9975=8, 14636/2.6=5...(11) QD2 LEU 70 + HE1 TRP 92 OK 26 100 - 26 - 14636/2.6=4, 3.1/9975=4...(11) QD2 LEU 2 + HE1 TRP 92 OK 24 100 - 24 - ~14634=6, 14636/2.6=5...(9) QD1 LEU 70 + HE1 TRP 92 OK 22 92 - 24 - 3.1/9975=4, 14636/2.6=3...(10) QD1 ILE 76 + HE1 TRP 92 OK 21 99 - 21 - 14636/2.6=5, 9991/5.3=4...(8) QG2 ILE 7 + HE1 TRP 92 OK 14 97 - 15 - 14636/2.6=3, 9985/5.3=2...(7) QD2 LEU 38 - HE1 TRP 92 lone 5 70 - 7 - 9996/2.6=2, ~14633=1 QG2 ILE 8 - HE1 TRP 92 lone 2 61 - 4 - Peak 10000 from nnoeabs.peaks (0.42, 10.29, 128.25 ppm; 5.47 A): 2 out of 2 assignments used, quality = 0.78: HG2 ARG 81 + HE1 TRP 92 OK 56 100 - 56 - 14637/2.6=14...(7) QD1 LEU 55 + HE1 TRP 92 OK 51 90 - 57 - 9255/5.3=19, 9276/5.3=14...(11) Peak 10001 from nnoeabs.peaks (0.75, 10.29, 128.25 ppm; 5.87 A): 7 out of 12 assignments used, quality = 0.89: HG3 ARG 81 + HE1 TRP 92 OK 54 87 - 63 - 1.8/10000=23...(8) HG13 ILE 15 + HE1 TRP 92 OK 33 100 - 33 - 2.9/9975=10, 3.2/9999=7...(6) QD1 ILE 15 + HE1 TRP 92 OK 31 96 - 32 - 3.2/9975=9, 3.0/9999=7...(6) QG2 ILE 93 + HE1 TRP 92 OK 20 100 - 20 - 10027/9970=6, 2.1/9974=4...(4) HG13 ILE 93 + HE1 TRP 92 OK 15 96 - 15 - 3.0/9974=4, 10995/5.3=3...(4) QD1 LEU 64 + HE1 TRP 92 OK 14 92 - 16 - 3.1/9972=3, ~14633=3...(6) QD2 LEU 42 + HE1 TRP 92 OK 12 77 - 16 - ~14634=7, 3.1/9974=4, ~14632=2 QD1 ILE 93 - HE1 TRP 92 poor 8 65 - 12 - 3.2/9974=4, 10025/9970=2 QG1 VAL 78 - HE1 TRP 92 lone 4 98 - 4 - QD1 LEU 27 - HE1 TRP 92 lone 4 70 - 6 - 10138/5.3=2 QG1 VAL 54 - HE1 TRP 92 lone 2 92 - 3 - QD1 LEU 6 - HE1 TRP 92 lone 1 61 - 2 - Peak 10005 from nnoeabs.peaks (0.50, 8.36, 120.59 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.86: QD2 LEU 55 + H ILE 93 OK 86 92 - 94 - 9262/3.0=36...(14) Peak 10006 from nnoeabs.peaks (1.32, 8.36, 120.59 ppm; 5.23 A): 0 out of 3 assignments used, low quality = 0.39: HB3 LEU 42 - H ILE 93 OK 21 73 - 29 - 1.8/7493=6, ~4120=5...(9) HB3 LEU 2 - H ILE 93 OK 14 81 - 18 - 4.6/6030=7, 10007/3.0=3 QB ALA 67 - H ILE 93 OK 10 65 - 15 - 10007/3.0=3, ~10998=3...(5) Peak 10033 from nnoeabs.peaks (7.45, 8.26, 121.69 ppm; 5.46 A): 5 out of 6 assignments used, quality = 0.85: H ARG 91 + H LYS 94 OK 60 81 - 74 - 3.6/7501=22, 4.6/7473=21...(16) H LYS 47 + H LYS 94 OK 33 73 - 45 - 4.9/7517=9, 4.0/7513=8...(12) HE22 GLN 72 + H LYS 94 OK 24 77 - 32 - 3.5/10035=9, 4.4/10825=6...(6) HE ARG 46 + H LYS 94 OK 15 81 - 19 - 7480/4.6=3, 6.8/6741=3...(7) HE ARG 19 + H LYS 94 OK 15 99 - 15 - 6.5/12163=3, 4.8/7513=2...(5) HD22 ASN 26 - H LYS 94 lone 6 87 - 7 - 8632/4.9=1 Peak 10034 from nnoeabs.peaks (2.41, 8.26, 121.69 ppm; 5.28 A): 6 out of 8 assignments used, quality = 0.93: HG3 MET 21 + H LYS 94 OK 62 87 - 72 - 3.4/8536=21, 1.8/8534=21...(13) HB3 MET 21 + H LYS 94 OK 57 84 - 69 - 4.3/8536=18, 3.0/8534=17...(13) HG2 GLN 72 + H LYS 94 OK 35 87 - 40 - 1.8/10035=11...(9) HG2 GLN 50 + H LYS 94 OK 18 87 - 20 - 2.9/7514=4, 2299/4.0=3...(6) HG3 MET 1 + H LYS 94 OK 12 98 - 12 - 1.8/11007=2, ~8031=2 HG3 GLN 50 + H LYS 94 OK 12 61 - 19 - 2.9/7514=4, ~4173=3...(7) HG3 GLU 17 - H LYS 94 poor 8 70 - 12 - 3.0/7514=2, ~4173=1, 3.0/7513=1 HG3 GLU 48 - H LYS 94 lone 4 70 - 6 - 3.0/7509=1 Peak 10035 from nnoeabs.peaks (2.52, 8.26, 121.69 ppm; 5.63 A): 4 out of 6 assignments used, quality = 0.83: HG3 GLU 95 + H LYS 94 OK 60 100 - 60 - 4307/4.6=28...(9) HG3 GLN 72 + H LYS 94 OK 41 87 - 47 - 9565/4.9=9, 3.0/10825=7...(12) HG2 MET 74 + H LYS 94 OK 21 100 - 21 - 7542/4.6=4, ~9610=2...(8) HG3 GLU 63 + H LYS 94 OK 11 92 - 12 - 7542/4.6=4, 3.0/11007=2 HB3 ASP 36 - H LYS 94 lone 2 61 - 4 - HB2 ASP 61 - H LYS 94 lone 2 73 - 3 - Peak 10038 from nnoeabs.peaks (3.11, 8.36, 118.50 ppm; 5.13 A): 2 out of 3 assignments used, quality = 0.81: HB2 TRP 92 + H GLU 95 OK 65 98 - 66 - 3.0/7525=31, 4105=18...(10) HB2 PHE 96 + H GLU 95 OK 45 96 - 47 - 4.1/7544=19, 4.2/7544=15...(8) HB2 HIS 105 - H GLU 95 lone 1 65 - 1 - Peak 10039 from nnoeabs.peaks (0.76, 8.36, 118.50 ppm; 5.00 A): 3 out of 12 assignments used, quality = 0.98: QG2 ILE 93 + H GLU 95 OK 82 98 - 84 - 3.2/7527=28, 4.3/7528=20...(18) QD1 ILE 93 + H GLU 95 OK 63 84 - 76 - 4.2/7527=25, 2.1/4146=14...(18) HG13 ILE 93 + H GLU 95 OK 61 84 - 73 - 4.0/7527=25, 2.1/4162=14...(13) QD1 LEU 27 - H GLU 95 OK 34 87 - 39 - 10485/4.6=8, 2.1/7535=5...(13) QG1 VAL 54 - H GLU 95 OK 30 99 - 30 - 2.1/9227=6, 3.2/10203=5...(8) QD2 LEU 42 - H GLU 95 OK 15 92 - 16 - 8924/3.6=4, 7511/4.6=3 QD1 ILE 15 - H GLU 95 OK 12 100 - 12 - 8446/3.6=3, 7508/4.6=1 HG13 ILE 15 - H GLU 95 OK 11 100 - 11 - 8450/3.6=2, 7508/4.6=1 HG3 ARG 81 - H GLU 95 lone 6 70 - 8 - 12216/10038=2, 4123/7527=1 QG1 VAL 78 - H GLU 95 lone 5 90 - 6 - QD1 LEU 64 - H GLU 95 lone 5 77 - 7 - 10254/4.9=1 QD1 LEU 6 - H GLU 95 lone 5 81 - 6 - Peak 10043 from nnoeabs.peaks (0.77, 8.21, 120.37 ppm; 4.48 A): 5 out of 20 assignments used, quality = 0.89: QD1 ILE 93 + H PHE 96 OK 53 100 - 53 - 4.2/7547=22, 10997/4.1=8...(11) QD1 LEU 27 + H PHE 96 OK 49 100 - 49 - 10138/4.1=11...(14) QG2 ILE 93 + H PHE 96 OK 39 61 - 63 - 3.2/7547=27, 4.3/7548=16...(14) QD1 ILE 93 + H GLU 104 OK 17 90 - 19 - 4.2/7547=7, 3.2/7664=2...(7) QG2 ILE 93 + H GLU 104 OK 13 50 - 26 - 3.2/7547=9, 4.3/7548=6...(5) QD2 LEU 42 - H PHE 96 lone 9 100 - 9 - 4124/7547=1, 7511/7548=1 QD1 LEU 27 - H GLU 104 lone 8 90 - 9 - QG1 VAL 54 - H PHE 96 lone 8 96 - 8 - 10039/4.5=1 QG2 ILE 52 - H PHE 96 lone 6 94 - 7 - 10421/4.6=2, 10041/4313=1 QD1 ILE 15 - H PHE 96 lone 5 92 - 5 - QD2 LEU 42 - H GLU 104 lone 5 89 - 5 - QD1 LEU 6 - H GLU 104 lone 4 90 - 4 - 229/4.3=1, 2.1/7659=1 QD1 LEU 6 - H PHE 96 lone 4 100 - 4 - HG13 ILE 15 - H PHE 96 lone 3 77 - 4 - QG1 VAL 54 - H GLU 104 lone 3 83 - 4 - QG2 ILE 8 - H PHE 96 lone 3 70 - 4 - QD1 ILE 15 - H GLU 104 lone 2 78 - 3 - QG2 ILE 52 - H GLU 104 lone 2 81 - 3 - HG13 ILE 15 - H GLU 104 lone 2 64 - 3 - QG2 ILE 8 - H GLU 104 lone 1 57 - 2 - Peak 10044 from nnoeabs.peaks (0.52, 8.21, 120.37 ppm; 4.14 A): 2 out of 2 assignments used, quality = 0.81: QD2 LEU 55 + H PHE 96 OK 77 96 - 80 - 9263/4.1=23, 9260/3.0=20...(15) QD2 LEU 55 + H GLU 104 OK 19 83 - 22 - 9283=6, 2.1/10045=5...(6) Peak 10045 from nnoeabs.peaks (0.44, 8.21, 120.37 ppm; 4.77 A): 3 out of 4 assignments used, quality = 0.89: QD1 LEU 55 + H PHE 96 OK 83 100 - 83 - 2.1/10044=35...(11) QD1 LEU 55 + H GLU 104 OK 22 90 - 24 - 2.1/10044=9, 9277=3...(7) HG2 ARG 81 + H PHE 96 OK 15 94 - 16 - 10051/4.1=6...(5) HG2 ARG 81 - H GLU 104 lone 8 81 - 10 - 10917/9705=3, 9747/4.9=2 Peak 10060 from nnoeabs.peaks (2.48, 8.22, 111.97 ppm; 5.48 A): 2 out of 5 assignments used, quality = 0.65: HG3 GLU 98 + H SER 97 OK 52 94 - 55 - 5.2/7579=35, 4.9/7580=17 HG3 GLU 23 + H SER 97 OK 28 96 - 30 - 2.9/10062=9, 12338/3.0=7...(6) HD2 ARG 91 - H SER 97 lone 5 99 - 5 - 7594/4.6=2 HB2 ASP 87 - H SER 97 lone 2 77 - 3 - HB3 ASP 87 - H SER 97 lone 2 77 - 3 - Peak 10061 from nnoeabs.peaks (2.21, 8.22, 111.97 ppm; 4.99 A): 3 out of 8 assignments used, quality = 0.92: HB2 GLU 95 + H SER 97 OK 70 98 - 72 - 3.0/7568=33, 4291=15...(10) HG2 GLU 98 + H SER 97 OK 60 99 - 61 - 5.2/7579=30...(6) HG2 GLU 99 + H SER 97 OK 33 90 - 37 - 4.7/7580=15, 4384/4.6=11...(6) HG3 PRO 86 - H SER 97 poor 10 77 - 13 - 2.3/7578=3, 2.3/7578=3, ~4346=2 HG2 MET 1 - H SER 97 lone 6 87 - 7 - 8017/8076=4 HG2 GLU 35 - H SER 97 lone 6 81 - 7 - 2.9/10062=3 HG3 GLU 35 - H SER 97 lone 6 81 - 7 - 2.9/10062=3 HB2 GLU 63 - H SER 97 lone 6 84 - 7 - 4276/7568=2, 7552/4.6=1 Peak 10062 from nnoeabs.peaks (2.07, 8.22, 111.97 ppm; 4.60 A): 0 out of 10 assignments used, low quality = 0.15: HB2 GLU 23 - H SER 97 OK 15 81 - 18 - 2.9/10060=8, ~12338=3...(4) HB3 LEU 38 - H SER 97 lone 10 100 - 10 - 9060/4.1=3, 3.0/7566=3 HB3 GLU 88 - H SER 97 lone 8 99 - 8 - 1.8/4521=2, 9060/4.1=2 HB3 GLU 43 - H SER 97 lone 7 96 - 7 - 9060/4.1=3, 3.0/7566=1 HG2 GLU 28 - H SER 97 lone 7 94 - 7 - 5.0/7580=4, 9060/4.1=2 HG3 GLU 28 - H SER 97 lone 7 94 - 7 - 5.0/7580=4, 9060/4.1=2 HB3 GLU 35 - H SER 97 lone 5 96 - 5 - 9060/4.1=1 HB2 GLU 16 - H SER 97 lone 4 100 - 4 - 9060/4.1=1 HB2 MET 74 - H SER 97 lone 4 92 - 4 - 9060/4.1=2 HB3 GLU 62 - H SER 97 lone 3 73 - 3 - Peak 10063 from nnoeabs.peaks (1.32, 8.22, 111.97 ppm; 4.65 A): 5 out of 7 assignments used, quality = 0.80: HG2 LYS 94 + H SER 97 OK 41 81 - 51 - 3.7/4181=15, 4.9/7544=11...(10) HB3 LEU 27 + H SER 97 OK 38 61 - 62 - 10073/4.1=12...(12) QB ALA 25 + H SER 97 OK 25 81 - 32 - 1154/3.0=9, 10078/4.1=7...(6) QB ALA 67 + H SER 97 OK 19 87 - 22 - 2.1/7566=4, 10078/4.1=4...(6) QB ALA 89 + H SER 97 OK 11 81 - 14 - 10007/7565=2...(5) HB3 LEU 2 - H SER 97 lone 8 96 - 9 - 10006/7567=1...(3) HB2 LYS 82 - H SER 97 lone 4 65 - 5 - Peak 10064 from nnoeabs.peaks (0.76, 8.22, 111.97 ppm; 3.66 A): 5 out of 12 assignments used, quality = 0.92: QG2 ILE 93 + H SER 97 OK 58 97 - 59 - 3.2/7565=20...(15) QD1 LEU 27 + H SER 97 OK 49 90 - 55 - 8642/4.1=12, 8641/3.0=11...(16) QD1 ILE 93 + H SER 97 OK 33 87 - 38 - 4.2/7565=17...(8) HG13 ILE 93 + H SER 97 OK 32 81 - 39 - 4.0/7565=17, 4.6/7567=6...(11) QG1 VAL 78 + H SER 97 OK 15 87 - 17 - 10904/3.0=5, ~10905=3...(6) HG3 ARG 81 - H SER 97 poor 7 65 - 10 - 12216/4.2=2, 10049/4.2=1...(5) QD1 ILE 15 - H SER 97 lone 5 100 - 5 - QG1 VAL 54 - H SER 97 lone 5 99 - 5 - QD2 LEU 42 - H SER 97 lone 4 94 - 4 - QD1 LEU 64 - H SER 97 lone 3 73 - 5 - HG13 ILE 15 - H SER 97 lone 3 100 - 3 - QD1 LEU 6 - H SER 97 lone 1 84 - 2 - Peak 10065 from nnoeabs.peaks (0.49, 8.22, 111.97 ppm; 4.70 A): 1 out of 1 assignment used, quality = 0.51: QD2 LEU 55 + H SER 97 OK 51 73 - 69 - 10050/4.2=30...(15) Peak 10084 from nnoeabs.peaks (0.47, 7.79, 120.07 ppm; 5.18 A): 0 out of 1 assignment used, low quality = 0.36: QD1 LEU 3 - H GLU 99 OK 36 90 - 40 - 8075/4.6=16, 4.7/11124=8...(8) Peak 10085 from nnoeabs.peaks (0.46, 8.14, 107.80 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.86: QD1 LEU 3 + H GLY 100 OK 86 97 - 89 - 2.1/10086=33...(12) Peak 10086 from nnoeabs.peaks (0.26, 8.14, 107.80 ppm; 5.53 A): 1 out of 1 assignment used, quality = 0.90: QD2 LEU 3 + H GLY 100 OK 90 99 - 91 - 2.1/10085=44...(12) Peak 10099 from nnoeabs.peaks (4.15, 8.02, 108.03 ppm; 4.92 A): 0 out of 7 assignments used, low quality = 0.43: HA LYS 13 - H GLY 101 OK 32 100 - 32 - 492=10, 3.6/6204=7...(10) HA LYS 47 - H GLY 101 OK 16 92 - 18 - 2.9/6761=9, ~6757=2 HA GLN 72 - H GLY 101 lone 8 100 - 8 - 492=2, 6244/7634=1 HA MET 1 - H GLY 101 lone 7 99 - 7 - ~10100=2, ~10091=1, 10427/7634=1 HA GLU 23 - H GLY 101 lone 6 97 - 7 - ~11029=2, 6244/7634=1 HB2 SER 59 - H GLY 101 lone 3 99 - 3 - HA LYS 73 - H GLY 101 lone 2 65 - 3 - Peak 10103 from nnoeabs.peaks (2.04, 8.02, 108.03 ppm; 5.13 A): 2 out of 8 assignments used, quality = 0.52: HB2 GLU 99 + H GLY 101 OK 31 100 - 31 - 4.7/7627=25, ~10098=4 HB3 GLU 99 + H GLY 101 OK 31 99 - 31 - 4.7/7627=25, ~10098=4 HB3 GLU 98 - H GLY 101 lone 8 100 - 8 - 7621/4.6=6 HB2 GLU 98 - H GLY 101 lone 8 100 - 8 - 7621/4.6=6 HG12 ILE 93 - H GLY 101 lone 7 99 - 7 - ~10325=2, ~10029=1, ~12249=1 HB3 GLU 48 - H GLY 101 lone 7 99 - 7 - 12266/7634=1, 7621/4.6=1 HB2 MET 21 - H GLY 101 lone 2 96 - 2 - HB2 GLN 50 - H GLY 101 lone 1 61 - 2 - Peak 10104 from nnoeabs.peaks (0.44, 8.02, 108.03 ppm; 5.17 A): 0 out of 2 assignments used, low quality = 0.22: QD1 LEU 55 - H GLY 101 OK 22 100 - 22 - 10107/3.0=9, 10093/3.6=4...(4) HG2 ARG 81 - H GLY 101 lone 3 94 - 4 - Peak 10105 from nnoeabs.peaks (0.24, 8.02, 108.03 ppm; 6.26 A): 1 out of 1 assignment used, quality = 0.70: QD2 LEU 3 + H GLY 101 OK 70 77 - 90 - 10108/3.0=47...(9) Peak 10111 from nnoeabs.peaks (1.80, 8.06, 115.27 ppm; 6.50 A): 5 out of 7 assignments used, quality = 0.84: HB2 LEU 42 + H SER 102 OK 48 97 - 49 - 1.8/10113=34...(3) HB2 LYS 90 + H SER 102 OK 47 87 - 54 - 2.8/10112=11, 2.8/3946=8...(12) HG3 ARG 46 + H SER 102 OK 22 84 - 27 - 2095/4.6=10, 10173/3.6=9 HB2 GLU 88 + H SER 102 OK 16 94 - 17 - 4.3/7408=4, 3.9/7398=3 HB ILE 93 + H SER 102 OK 14 100 - 14 - 10029/3.6=3, 4129/3911=2 HB2 LYS 39 - H SER 102 lone 10 100 - 10 - 1921/10113=2...(3) HB2 GLU 104 - H SER 102 lone 6 94 - 6 - Peak 10112 from nnoeabs.peaks (1.59, 8.06, 115.27 ppm; 5.73 A): 5 out of 13 assignments used, quality = 0.76: HG3 LYS 90 + H SER 102 OK 44 90 - 48 - 2.8/10111=9, 1.8/3946=8...(10) HB2 LEU 103 + H SER 102 OK 30 92 - 33 - 4.0/7644=30 HG LEU 103 + H SER 102 OK 23 84 - 27 - 5.3/7644=25 HG2 ARG 19 + H SER 102 OK 12 92 - 12 - 4.0/7641=3, 4.9/6279=3...(4) HD3 LYS 94 + H SER 102 OK 11 100 - 11 - 4242/3.6=4, 4.7/7637=1 HG3 LYS 12 - H SER 102 lone 9 100 - 9 - 3.7/7637=1 HB3 LEU 29 - H SER 102 lone 8 100 - 8 - 7649/4.6=2, 8677/4.0=2 HG2 LYS 24 - H SER 102 lone 8 94 - 9 - 5.1/7398=1 HD2 LYS 66 - H SER 102 lone 6 98 - 6 - HG LEU 27 - H SER 102 lone 5 100 - 5 - HB2 ARG 30 - H SER 102 lone 5 96 - 5 - HG3 LYS 73 - H SER 102 lone 4 100 - 4 - HB2 ARG 79 - H SER 102 lone 4 99 - 4 - Peak 10113 from nnoeabs.peaks (1.32, 8.06, 115.27 ppm; 5.11 A): 0 out of 3 assignments used, low quality = 0.15: HB3 LEU 42 - H SER 102 OK 15 73 - 20 - 3.0/10602=11, 1.8/10111=7 QB ALA 67 - H SER 102 lone 5 65 - 7 - 4.9/7641=3, 2.1/7637=2 HB3 LEU 2 - H SER 102 lone 2 81 - 3 - Peak 10146 from nnoeabs.peaks (1.52, 8.48, 122.32 ppm; 4.62 A): 9 out of 12 assignments used, quality = 0.94: HB ILE 7 + H VAL 32 OK 55 99 - 56 - 4.5/10517=13...(12) HG3 ARG 30 + H VAL 32 OK 30 87 - 35 - 2.9/10513=15, 6496/4.6=4...(11) HG12 ILE 56 + H VAL 32 OK 30 84 - 35 - 1.8/10514=7, 2578/3.6=7...(7) HG LEU 6 + H VAL 32 OK 28 97 - 28 - 10159/4.0=7, 209/4.6=7...(6) HB2 LEU 14 + H VAL 32 OK 23 99 - 23 - 8732/4.0=3, 10159/4.0=3...(7) HG3 LYS 33 + H VAL 32 OK 21 81 - 26 - 1457/4.6=10, 10145/3.0=5...(5) HG LEU 57 + H VAL 32 OK 15 70 - 21 - 2.1/6511=6, 10145/3.0=4...(6) HB3 LEU 103 + H VAL 32 OK 15 99 - 15 - 10159/4.0=4, 3.1/6511=4...(4) HG LEU 2 + H VAL 32 OK 14 100 - 14 - 68/4.6=4, 8732/4.0=2, 8726/4.7=2 HG3 LYS 24 - H VAL 32 lone 9 92 - 9 - 10145/3.0=2, 1457/4.6=2...(4) HG2 ARG 79 - H VAL 32 poor 7 73 - 10 - 6496/4.6=2 HG3 ARG 79 - H VAL 32 lone 6 70 - 9 - 6496/4.6=2 Peak 10147 from nnoeabs.peaks (4.62, 8.48, 122.32 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.61: HA ILE 8 + H VAL 32 OK 61 94 - 65 - 11115=18, 12055/3.9=16...(10) Peak 10164 from nnoeabs.peaks (4.79, 9.30, 123.65 ppm; 4.83 A): 2 out of 3 assignments used, quality = 0.49: HA THR 34 + H LYS 33 OK 44 87 - 51 - 3.0/6528=37, 3.2/8768=18 HA VAL 83 + H LYS 33 OK 10 99 - 10 - 3.0/8747=3, 6540/4.6=2...(4) HA ASN 60 - H LYS 33 lone 2 61 - 3 - Peak 10188 from nnoeabs.peaks (4.07, 7.62, 118.85 ppm; 4.35 A): 4 out of 5 assignments used, quality = 0.83: HB2 SER 49 + H GLU 48 OK 62 94 - 66 - 3.0/10189=26...(12) HA ARG 46 + H GLU 48 OK 44 97 - 45 - 3.6/6780=23, 3.0/6739=7...(10) HA LYS 66 + H GLU 48 OK 12 90 - 13 - 6762/4.6=4, 12313/4.6=1 HA GLU 17 + H GLU 48 OK 12 81 - 14 - 3.9/6794=3, 6804/4.6=2...(4) HA LYS 20 - H GLU 48 poor 8 77 - 11 - 3.0/6783=1, 6804/4.6=1 Peak 10189 from nnoeabs.peaks (4.25, 7.62, 118.85 ppm; 4.64 A): 1 out of 2 assignments used, quality = 0.78: HA SER 49 + H GLU 48 OK 78 97 - 81 - 2.9/6795=28, 9077=23...(13) HB THR 31 - H GLU 48 lone 7 90 - 8 - 6803/4.6=3 Peak 10190 from nnoeabs.peaks (4.53, 7.62, 118.85 ppm; 4.38 A): 2 out of 2 assignments used, quality = 0.60: HA PHE 45 + H GLU 48 OK 40 87 - 46 - 10620/4.0=11...(10) HA LYS 33 + H GLU 48 OK 34 100 - 34 - 10620/4.0=8, 10182/4.9=6...(10) Peak 10237 from nnoeabs.peaks (2.61, 7.72, 120.36 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.85: HB VAL 58 + H LEU 64 OK 82 92 - 90 - ~9388=26, 2.1/9392=26...(13) HG3 MET 74 + H LEU 64 OK 16 77 - 20 - 10235/3.6=9, 10236/4.6=5...(4) Peak 10238 from nnoeabs.peaks (2.72, 7.72, 120.36 ppm; 4.80 A): 4 out of 4 assignments used, quality = 0.94: HB3 ASP 61 + H LEU 64 OK 70 94 - 75 - 4.4/7027=28, 3.0/9441=23...(12) HB2 ASP 65 + H LEU 64 OK 62 94 - 66 - 7055/4.6=26...(8) HB2 ASN 26 + H LEU 64 OK 32 84 - 38 - 3.0/9470=12, 3.8/6411=8...(7) HE2 LYS 82 + H LEU 64 OK 28 77 - 36 - 3.0/10933=10...(10) Peak 10294 from nnoeabs.peaks (7.07, 9.20, 113.18 ppm; 5.25 A): 2 out of 2 assignments used, quality = 0.70: HZ3 TRP 92 + H THR 84 OK 64 100 - 65 - 9781/4.0=27, 9776/4.4=24...(9) HZ PHE 96 + H THR 84 OK 17 100 - 16 - 9781/4.0=5, 9776/4.4=4...(4) Peak 10303 from nnoeabs.peaks (7.69, 7.42, 118.87 ppm; 4.41 A): 4 out of 4 assignments used, quality = 0.84: H SER 85 + H ALA 89 OK 61 99 - 62 - 4.3/10976=13...(17) H ALA 25 + H ALA 89 OK 37 65 - 56 - 3.6/9923=18...(14) H MET 21 + H ALA 89 OK 29 96 - 30 - 8550/3.6=7, 10297/4.3=4...(12) HD22 ASN 51 + H ALA 89 OK 11 97 - 11 - 10297/4.3=1, 10299/4.3=1...(5) Peak 10304 from nnoeabs.peaks (8.13, 7.42, 118.87 ppm; 4.31 A): 2 out of 3 assignments used, quality = 0.97: H TRP 92 + H ALA 89 OK 83 99 - 83 - 4.6/7429=24, 7467=21...(19) H ASP 87 + H ALA 89 OK 82 100 - 82 - 2.9/9924=27, 3.5/9854=19...(18) H GLY 100 - H ALA 89 OK 17 98 - 17 - 3904/3.0=3, 7426/4.5=2...(7) Peak 10331 from nnoeabs.peaks (4.57, 8.50, 125.64 ppm; 5.45 A): 2 out of 2 assignments used, quality = 0.72: HA ASP 77 + H ARG 79 OK 67 100 - 67 - 7274/4.6=41...(5) HA THR 84 + H ARG 79 OK 15 96 - 15 - 3.0/9697=9, 7274/4.6=2...(4) Peak 10371 from nnoeabs.peaks (1.05, 9.31, 126.92 ppm; 4.67 A): 3 out of 4 assignments used, quality = 0.73: HB3 LEU 55 + H LEU 6 OK 47 65 - 72 - 3.9/8199=24...(9) HG12 ILE 52 + H LEU 6 OK 38 99 - 39 - 2.1/6067=8, 2365/4.6=5...(11) HB3 ARG 81 + H LEU 6 OK 19 87 - 21 - 3594/4.1=8, 1.8/6062=5...(6) HG2 LYS 82 - H LEU 6 lone 6 70 - 9 - 3.9/8217=4, 10654/10663=3 Peak 10385 from nnoeabs.peaks (4.62, 8.64, 122.61 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.49: HA ILE 8 + H ASN 10 OK 49 96 - 51 - 6102/4.6=25, 8342/4.6=19...(6) Peak 10387 from nnoeabs.peaks (4.42, 8.67, 122.72 ppm; 3.85 A): 3 out of 8 assignments used, quality = 0.81: HA SER 9 + H ASP 11 OK 69 99 - 70 - 4.1/8372=23...(12) HA GLU 48 + H ASP 11 OK 28 99 - 28 - 8354/4.6=6, 8352/4.6=5...(8) HA ILE 76 + H ASP 11 OK 17 99 - 17 - 6114/4.6=3, 340/10388=2...(8) HB THR 84 - H ASP 11 lone 5 73 - 7 - 9835/8398=2, 3.0/6142=1 HA MET 21 - H ASP 11 lone 3 84 - 4 - HA VAL 32 - H ASP 11 lone 3 84 - 3 - HA ALA 25 - H ASP 11 lone 2 90 - 2 - HA HIS 106 - H ASP 11 lone 1 70 - 1 - Peak 10388 from nnoeabs.peaks (3.93, 8.67, 122.72 ppm; 4.17 A): 2 out of 4 assignments used, quality = 0.81: HB3 SER 9 + H ASP 11 OK 78 99 - 79 - 2.8/8372=36, 1.8/6144=20...(12) HA TYR 41 + H ASP 11 OK 13 100 - 13 - 6116/4.6=3, 10409/8398=2...(5) HA GLU 44 - H ASP 11 lone 8 97 - 8 - 3.0/6141=3, 6116/4.6=2 HA GLU 63 - H ASP 11 lone 5 73 - 7 - 10409/8398=2...(3) Peak 10389 from nnoeabs.peaks (0.77, 8.67, 122.72 ppm; 3.75 A): 5 out of 10 assignments used, quality = 0.84: QD1 ILE 15 + H ASP 11 OK 56 94 - 60 - 8449/3.6=20, 8439=12...(14) HG13 ILE 15 + H ASP 11 OK 32 81 - 40 - 2.1/8439=13, ~8448=8...(9) QG2 ILE 8 + H ASP 11 OK 25 65 - 39 - 2.1/8370=7, 3.0/8369=6...(12) QG1 VAL 54 + H ASP 11 OK 20 97 - 21 - 8356/3.6=4, 2504/4.6=4...(8) QD2 LEU 42 + H ASP 11 OK 10 100 - 10 - 2.1/8370=2, 2.1/8369=1 QD1 ILE 93 - H ASP 11 lone 10 100 - 10 - 8357/4.6=3, 8356/3.6=2 QG2 ILE 52 - H ASP 11 lone 8 92 - 8 - 8357/4.6=1, 3.1/8369=1 QD1 LEU 6 - H ASP 11 lone 6 100 - 6 - 2.1/8371=1, 230/8398=1 QG2 ILE 93 - H ASP 11 lone 4 65 - 5 - 8356/3.6=1, 8359/4.6=1 QD1 LEU 27 - H ASP 11 lone 3 100 - 3 - Peak 10390 from nnoeabs.peaks (1.71, 8.67, 122.72 ppm; 4.62 A): 6 out of 16 assignments used, quality = 0.75: HG12 ILE 15 + H ASP 11 OK 36 77 - 47 - 2.1/8439=19, ~8448=13...(10) HD3 LYS 12 + H ASP 11 OK 23 96 - 25 - 6.2/6145=15, 3.0/6144=3, ~368=2 HD2 LYS 12 + H ASP 11 OK 23 96 - 25 - 6.2/6145=15, 3.0/6144=3, ~368=2 HD3 LYS 13 + H ASP 11 OK 14 98 - 14 - 3.6/8370=3, 3.6/8370=3...(5) HD2 LYS 13 + H ASP 11 OK 13 96 - 14 - 3.6/8370=3, 3.6/8370=3...(5) HB2 LEU 2 + H ASP 11 OK 12 97 - 13 - 12275/8400=2, 3.0/8371=2 HB3 LEU 70 - H ASP 11 poor 10 97 - 10 - 9544/8398=5, 8430/8396=2 HG LEU 70 - H ASP 11 lone 7 92 - 7 - 9545/8398=3 HD3 LYS 90 - H ASP 11 lone 6 87 - 7 - 3.0/6138=2 HG2 PRO 86 - H ASP 11 lone 6 73 - 8 - 9545/8398=3, 10406/8400=1 HD3 LYS 24 - H ASP 11 lone 5 87 - 6 - 6157/4.7=1 HD2 LYS 24 - H ASP 11 lone 5 84 - 6 - 6157/4.7=1 HD3 LYS 66 - H ASP 11 lone 4 97 - 4 - 6156/4.7=1 HD3 LYS 33 - H ASP 11 lone 3 73 - 4 - HD2 LYS 33 - H ASP 11 lone 3 73 - 4 - HD2 ARG 81 - H ASP 11 lone 1 70 - 2 - Peak 10397 from nnoeabs.peaks (0.79, 7.55, 122.27 ppm; 4.88 A): 4 out of 8 assignments used, quality = 0.92: QD1 ILE 76 + H LEU 14 OK 52 92 - 56 - 3449=10, 2.1/3433=9...(13) QG2 ILE 8 + H LEU 14 OK 49 99 - 50 - 3.2/8419=9, 3.0/6202=7...(13) QG2 ILE 7 + H LEU 14 OK 44 96 - 46 - 2.1/594=8, 251/3.8=7...(10) QG2 ILE 15 + H LEU 14 OK 40 61 - 66 - 4.0/6209=23, 4.4/6204=18...(12) QD2 LEU 57 - H LEU 14 OK 19 99 - 19 - 10696/4.8=3, 2.1/6192=2...(6) QD2 LEU 2 - H LEU 14 OK 16 65 - 25 - 2.1/6198=3, 3.1/6194=2...(9) QD2 LEU 70 - H LEU 14 OK 14 70 - 19 - 8429/3.8=3, 10398/4.9=2...(8) QG2 ILE 52 - H LEU 14 OK 11 87 - 12 - 3.1/6201=1 Peak 10416 from nnoeabs.peaks (8.90, 8.02, 118.48 ppm; 5.21 A): 3 out of 6 assignments used, quality = 0.91: H ARG 19 + H GLU 16 OK 85 100 - 85 - 6277/3.6=36, 6260/4.6=23...(11) H ASP 77 + H GLU 16 OK 35 90 - 39 - 10415/4.4=10, 8434/3.6=9...(7) H ARG 19 + H ARG 46 OK 11 48 - 23 - 4.7/6264=5, 6277/641=4...(7) H VAL 5 - H GLU 16 lone 6 65 - 8 - 6260/4.6=1 H ASP 77 - H ARG 46 poor 5 38 - 14 - 4.3/10614=3, 3456/9630=2...(6) H VAL 5 - H ARG 46 lone 1 25 - 2 - Peak 10427 from nnoeabs.peaks (4.16, 8.06, 118.10 ppm; 4.07 A): 5 out of 7 assignments used, quality = 0.85: HA GLN 72 + H GLU 17 OK 40 100 - 40 - 3.0/6257=9, 3.0/6251=6...(11) HA MET 1 + H GLU 17 OK 38 100 - 39 - 3.0/6256=7, 4/4.0=6...(13) HA LYS 13 + H GLU 17 OK 32 100 - 33 - 492/4.6=10, 695/4.6=4...(8) HA GLU 23 + H GLU 17 OK 32 94 - 35 - 695/4.6=7, 3.0/6250=6...(8) HB2 SER 59 + H GLU 17 OK 13 100 - 13 - 2681/3.6=3, 695/4.6=2...(5) HA LYS 73 - H GLU 17 poor 10 73 - 14 - 3.6/7231=2, ~9582=1...(5) HA LYS 47 - H GLU 17 lone 8 87 - 9 - 6226/4.6=2, 695/4.6=1 Peak 10441 from nnoeabs.peaks (1.57, 7.68, 118.10 ppm; 5.04 A): 7 out of 10 assignments used, quality = 0.77: HG2 ARG 19 + H MET 21 OK 45 65 - 69 - 4.9/6315=23, 4.9/6320=19...(10) HG3 LYS 90 + H MET 21 OK 19 70 - 27 - 4.0/8550=12, 3.8/6335=4...(6) HB3 GLU 28 + H MET 21 OK 15 99 - 16 - 4.0/6322=5, 1242/4.5=3...(4) HB2 LEU 3 + H MET 21 OK 14 81 - 18 - 3.0/8561=11, 11000/10032=1 HG2 LYS 24 + H MET 21 OK 12 61 - 19 - ~958=3, ~957=3, ~8595=3...(7) HD3 LYS 53 + H MET 21 OK 12 77 - 15 - 1.8/6326=4, 3.0/6326=3...(4) HD3 LYS 82 + H MET 21 OK 10 100 - 10 - 9838/8560=3, 1.8/6326=2 HG LEU 103 - H MET 21 lone 5 77 - 6 - 5.3/6339=2, 4490/6359=1 HB2 LEU 103 - H MET 21 lone 4 65 - 6 - 4.0/6339=2, 4474/6359=1 HG2 LYS 33 - H MET 21 lone 2 61 - 3 - Peak 10442 from nnoeabs.peaks (0.65, 7.68, 118.10 ppm; 5.37 A): 3 out of 3 assignments used, quality = 0.91: QD1 LEU 29 + H MET 21 OK 63 100 - 63 - 8690/4.6=24, 8528/4.5=12...(16) QD2 LEU 29 + H MET 21 OK 56 96 - 59 - 8692/4.6=25, 8528/4.5=9...(14) QG2 VAL 54 + H MET 21 OK 44 99 - 44 - 8528/4.5=9, 10423/3.6=5...(13) Peak 10446 from nnoeabs.peaks (4.14, 8.81, 122.15 ppm; 5.19 A): 5 out of 9 assignments used, quality = 0.93: HA GLU 23 + H ALA 22 OK 87 98 - 89 - 3.0/6361=42, 4.5/6353=23...(12) HA GLU 99 + H ALA 22 OK 17 70 - 24 - 3.0/6343=6, 10447/3.0=5...(7) HA LYS 47 + H ALA 22 OK 15 100 - 15 - 10447/3.0=4, 10451/2.9=3...(4) HA GLU 104 + H ALA 22 OK 13 81 - 16 - 10447/3.0=4, 10451/2.9=3...(5) HA GLN 72 + H ALA 22 OK 11 81 - 13 - 6364/4.7=4, 10451/2.9=2...(4) HA LYS 13 - H ALA 22 poor 9 81 - 11 - 10451/2.9=2, 6364/4.7=2, ~6176=1 HA MET 1 - H ALA 22 poor 7 70 - 10 - 8001/4.6=3, 6364/4.7=1 HA GLU 62 - H ALA 22 poor 7 61 - 11 - 10447/3.0=3, 3.0/6351=2...(4) HB2 SER 59 - H ALA 22 lone 6 65 - 8 - 6364/4.7=2, 1.8/6344=2 Peak 10457 from nnoeabs.peaks (1.95, 8.28, 117.00 ppm; 4.40 A): 4 out of 11 assignments used, quality = 0.82: HB2 LYS 24 + H GLU 23 OK 45 96 - 47 - 4.4/6370=19, 4.0/6369=16...(6) HB3 LYS 24 + H GLU 23 OK 45 96 - 47 - 4.4/6370=19, 4.0/6369=16...(6) HG3 GLU 88 + H GLU 23 OK 33 90 - 38 - 4.9/6369=9, 3893/4.6=6...(10) HB2 LYS 47 + H GLU 23 OK 10 81 - 12 - 3.0/6364=3, ~2147=1...(5) HB2 GLU 17 - H GLU 23 poor 9 84 - 11 - 2.9/6358=6, 737/855=1 HB3 MET 74 - H GLU 23 lone 8 96 - 9 - 10861/3.6=2, 3.0/6360=2 HB2 LYS 73 - H GLU 23 lone 8 100 - 8 - 2.9/10458=1, 6383/4.6=1 HB3 LYS 73 - H GLU 23 lone 8 100 - 8 - 2.9/10458=1, 6383/4.6=1 HB2 MET 1 - H GLU 23 lone 5 84 - 6 - 3.0/6364=1 HB3 ARG 46 - H GLU 23 lone 5 99 - 5 - HB VAL 32 - H GLU 23 lone 5 81 - 6 - 3.0/6360=1, 10158/4.0=1 Peak 10458 from nnoeabs.peaks (1.60, 8.28, 117.00 ppm; 4.63 A): 6 out of 13 assignments used, quality = 0.93: HG2 LYS 24 + H GLU 23 OK 40 90 - 45 - 5.1/6369=14...(7) HB3 LEU 29 + H GLU 23 OK 38 100 - 38 - 8581/3.6=12, 8677/3.6=9...(5) HB2 LEU 103 + H GLU 23 OK 38 87 - 43 - 1.8/4482=9, 3.0/4466=8...(8) HD3 LYS 94 + H GLU 23 OK 35 100 - 35 - 3.0/4208=4, 4241=4...(12) HG LEU 103 + H GLU 23 OK 30 77 - 39 - 3.0/4474=8, 3.0/4482=7...(7) HG LEU 27 + H GLU 23 OK 30 100 - 30 - 10483/3.6=11, 8581/3.6=9...(5) HG2 ARG 19 - H GLU 23 OK 19 87 - 22 - 12291/5.0=7, 4.0/6357=6...(5) HG3 LYS 73 - H GLU 23 OK 14 100 - 14 - 2.9/10457=1, 2.9/10457=1...(5) HG3 LYS 12 - H GLU 23 OK 14 100 - 14 - 8581/3.6=2, 8572/3.6=1...(4) HD2 LYS 66 - H GLU 23 OK 12 99 - 12 - 12290/5.0=2, 8581/3.6=2 HG3 LYS 90 - H GLU 23 poor 9 84 - 11 - 1084/4.6=2, 10464/5.0=1 HB2 ARG 30 - H GLU 23 lone 9 98 - 9 - 8581/3.6=2, 8572/3.6=1 HB2 ARG 79 - H GLU 23 lone 4 100 - 4 - 8581/3.6=1 Peak 10489 from nnoeabs.peaks (7.71, 8.24, 116.83 ppm; 4.18 A): 2 out of 4 assignments used, quality = 0.81: H ALA 25 + H LEU 27 OK 72 99 - 73 - 3.0/8605=24, 4.6/6419=23...(11) H LEU 64 + H LEU 27 OK 32 100 - 32 - 10477/3.6=10, 6411/4.6=6...(11) H SER 49 - H LEU 27 lone 5 92 - 6 - 6411/4.6=1, 10477/3.6=1 H ASN 60 - H LEU 27 lone 5 77 - 6 - 6973/4.7=1 Peak 10505 from nnoeabs.peaks (8.94, 9.09, 125.04 ppm; 4.33 A): 2 out of 2 assignments used, quality = 0.60: H VAL 5 + H ARG 30 OK 40 61 - 65 - 3.9/8165=18, 8162=16...(11) H LEU 57 + H ARG 30 OK 33 96 - 34 - 8237/8238=7, 10693/4.0=6...(10) Peak 10513 from nnoeabs.peaks (1.39, 8.48, 122.32 ppm; 5.12 A): 0 out of 3 assignments used, low quality = 0.29: HB3 ARG 30 - H VAL 32 OK 20 65 - 31 - 6494/4.6=8, 2.9/10146=5...(10) HG3 LYS 94 - H VAL 32 OK 11 96 - 12 - 10335/4.0=2, 2.9/6509=2...(5) HB2 LEU 70 - H VAL 32 lone 5 57 - 9 - 3.1/6511=2, 10335/4.0=2 Peak 10514 from nnoeabs.peaks (0.71, 8.48, 122.32 ppm; 4.54 A): 8 out of 9 assignments used, quality = 0.95: QD1 ILE 8 + H VAL 32 OK 65 100 - 65 - 4.1/10147=28...(13) HG13 ILE 56 + H VAL 32 OK 42 100 - 42 - 2586/3.6=10, 9313/4.6=8...(10) QD1 ILE 56 + H VAL 32 OK 39 99 - 39 - 4.2/6505=6, 2594/3.6=6...(10) QD2 LEU 14 + H VAL 32 OK 18 99 - 18 - 10518/3.9=5, 3.1/10146=3...(5) QG2 VAL 78 + H VAL 32 OK 16 94 - 17 - 10902/11114=8, 178/4.6=1...(4) QG1 VAL 5 + H VAL 32 OK 15 81 - 19 - 4.1/6512=8, 178/4.6=3...(4) QD1 ILE 52 + H VAL 32 OK 15 65 - 23 - 3.2/2349=3, 2.1/2365=3...(10) QG1 VAL 58 + H VAL 32 OK 15 96 - 15 - 4.2/10517=2, 287/10147=2...(6) QD2 LEU 27 - H VAL 32 lone 4 70 - 6 - Peak 10516 from nnoeabs.peaks (7.83, 8.48, 122.32 ppm; 4.88 A): 3 out of 5 assignments used, quality = 0.68: H SER 9 + H VAL 32 OK 58 81 - 72 - 3.6/10147=35...(11) H LEU 3 + H VAL 32 OK 15 61 - 24 - 4.0/6507=6, 4.6/8122=3...(8) H TYR 41 + H VAL 32 OK 11 100 - 11 - 10515/4.0=3, 288/10147=1 H ASN 26 - H VAL 32 lone 5 77 - 6 - 3.6/6508=3 H LYS 73 - H VAL 32 lone 4 73 - 5 - 4.1/6509=1 Peak 10517 from nnoeabs.peaks (8.82, 8.48, 122.32 ppm; 5.59 A): 2 out of 3 assignments used, quality = 0.53: H ILE 8 + H VAL 32 OK 46 61 - 75 - 3.0/10147=45...(9) H ALA 22 + H VAL 32 OK 13 100 - 13 - 3.6/6508=3, 6346/3.0=2, ~10448=2 H SER 59 - H VAL 32 poor 8 61 - 13 - 281/10147=3, 4.2/10514=2...(5) Peak 10538 from nnoeabs.peaks (0.82, 8.19, 118.33 ppm; 5.21 A): 8 out of 10 assignments used, quality = 0.90: QD2 LEU 38 + H ASP 36 OK 50 98 - 51 - 4.5/8941=8, 2.1/8781=8...(12) QD1 LEU 70 + H ASP 36 OK 26 100 - 26 - 9549/4.7=5, 4.6/7141=4...(4) QD2 LEU 70 + H ASP 36 OK 25 94 - 26 - 10278/4.7=8, 4.6/7141=4...(5) QD2 LEU 2 + H ASP 36 OK 22 96 - 23 - 8057/4.7=6, 10125/3.6=5 QD1 ILE 76 + H ASP 36 OK 21 73 - 29 - 4.7/8772=15, ~8802=1 QD2 LEU 103 + H ASP 36 OK 18 92 - 19 - 4499/3.0=3, 3.9/6562=2...(7) QG2 VAL 32 + H ASP 36 OK 17 77 - 23 - 10163/8794=3, 8775/4.6=3...(6) QD1 LEU 57 + H ASP 36 OK 14 90 - 15 - 10698/3.6=5, 8775/4.6=2 QG2 ILE 15 - H ASP 36 lone 7 97 - 8 - QG2 ILE 7 - H ASP 36 lone 3 65 - 5 - Peak 10547 from nnoeabs.peaks (3.61, 7.53, 119.20 ppm; 5.15 A): 1 out of 1 assignment used, quality = 0.90: HA LYS 39 + H LEU 38 OK 90 100 - 90 - 3.0/6596=47, 3.6/6616=40...(14) Peak 10554 from nnoeabs.peaks (9.18, 7.53, 119.20 ppm; 5.64 A): 2 out of 3 assignments used, quality = 0.78: H GLU 35 + H LEU 38 OK 69 94 - 74 - 4.6/8858=26...(12) H ILE 56 + H LEU 38 OK 28 99 - 28 - 5.0/8851=6, 4.9/8851=6...(8) H THR 84 - H LEU 38 lone 6 70 - 9 - 4.4/6584=2, 11107/10555=1 Peak 10555 from nnoeabs.peaks (9.31, 7.53, 119.20 ppm; 5.61 A): 2 out of 2 assignments used, quality = 0.90: H LYS 33 + H LEU 38 OK 79 99 - 80 - 4.1/8932=36, 4.6/8858=26...(10) H LEU 6 + H LEU 38 OK 52 97 - 54 - 8819/4.6=14, 8818/4.6=14...(12) Peak 10556 from nnoeabs.peaks (8.20, 8.08, 116.94 ppm; 4.40 A): 3 out of 4 assignments used, quality = 0.93: H GLU 43 + H LYS 39 OK 69 100 - 69 - 6681/3.0=31, 3.6/6595=10...(20) H ASP 36 + H LYS 39 OK 65 92 - 70 - 3.0/8949=27, 4.6/6577=10...(16) H LYS 68 + H LYS 39 OK 38 94 - 40 - 10557/3.0=6, 4.0/6605=5...(14) H PHE 96 - H LYS 39 lone 5 70 - 7 - 4.6/8954=1 Peak 10590 from nnoeabs.peaks (2.02, 7.96, 115.96 ppm; 4.12 A): 0 out of 7 assignments used, low quality = 0.41: HB2 GLU 35 - H LEU 42 OK 22 77 - 29 - 4.7/6678=5, 2.9/10591=5...(10) HG12 ILE 93 - H LEU 42 OK 14 77 - 19 - 3.0/6673=4, 2.1/6677=4...(7) HB3 LYS 94 - H LEU 42 OK 11 100 - 11 - 3.0/6665=3, 12303/4.6=1 HB2 GLN 50 - H LEU 42 lone 9 100 - 9 - 4.5/6664=3, 9103/4.7=2 HB3 GLU 17 - H LEU 42 poor 9 73 - 12 - ~10345=2, 12028/4.0=2...(5) HB2 GLU 62 - H LEU 42 lone 6 97 - 6 - ~10345=2 HB3 GLU 99 - H LEU 42 lone 1 77 - 1 - Peak 10591 from nnoeabs.peaks (2.20, 7.96, 115.96 ppm; 4.78 A): 5 out of 9 assignments used, quality = 0.79: HG2 GLU 43 + H LEU 42 OK 40 84 - 48 - 5.0/6685=19, 1.8/6668=13...(8) HG3 GLU 35 + H LEU 42 OK 28 99 - 28 - 2.9/10590=12, 6695/4.6=5...(6) HG2 GLU 35 + H LEU 42 OK 28 99 - 28 - 2.9/10590=12, 6695/4.6=5...(6) HB2 GLU 63 + H LEU 42 OK 21 99 - 21 - 2773/3.6=5, 9461/4.7=3...(6) HG2 MET 1 + H LEU 42 OK 14 100 - 14 - 8015/4.0=6, 8015/6674=1...(4) HG3 PRO 86 - H LEU 42 lone 7 98 - 7 - 1.8/8914=2 HB2 GLU 95 - H LEU 42 lone 6 100 - 6 - 4286/3124=1 HB3 GLU 75 - H LEU 42 lone 3 87 - 4 - HG2 GLU 98 - H LEU 42 lone 1 81 - 1 - Peak 10610 from nnoeabs.peaks (1.69, 8.19, 117.17 ppm; 4.71 A): 9 out of 20 assignments used, quality = 0.89: HB3 LYS 40 + H GLU 43 OK 53 96 - 55 - 3.0/1779=21, 4.3/6683=20...(8) HG LEU 70 + H GLU 43 OK 30 97 - 30 - 4.9/6685=10, 3150/4.6=8...(8) HB3 ARG 91 + H GLU 43 OK 24 94 - 25 - ~4026=3, 3.0/6692=3...(11) HD3 LYS 90 + H GLU 43 OK 20 99 - 20 - 2.9/6688=4, 3.6/6687=3...(6) HB2 LEU 2 + H GLU 43 OK 15 92 - 17 - ~10124=4, ~10125=3...(5) HG12 ILE 15 + H GLU 43 OK 13 100 - 13 - 2.1/6691=2, 1.8/6691=2 HD3 LYS 66 + H GLU 43 OK 11 92 - 12 - 6.1/7078=3, 5.1/10774=3 HD3 LYS 47 + H GLU 43 OK 11 92 - 12 - 2200/4.6=2, 3.9/6693=1 HD2 LYS 47 + H GLU 43 OK 10 90 - 12 - 2200/4.6=2, 3.9/6693=1 HG2 PRO 86 - H GLU 43 lone 9 100 - 9 - 1.8/6695=1 HB3 LYS 53 - H GLU 43 lone 8 98 - 8 - 9187/4.6=2 HD2 LYS 20 - H GLU 43 poor 8 81 - 10 - 3.5/6689=2 HG3 LYS 20 - H GLU 43 lone 7 70 - 10 - 3.0/6689=2 HD3 LYS 20 - H GLU 43 lone 7 70 - 10 - 3.5/6689=2 HD3 LYS 12 - H GLU 43 lone 7 94 - 7 - HD2 LYS 12 - H GLU 43 lone 7 94 - 7 - HD2 LYS 13 - H GLU 43 lone 5 94 - 5 - 3.6/6693=1 HD3 LYS 13 - H GLU 43 lone 4 90 - 5 - 3.6/6693=1 HD2 LYS 24 - H GLU 43 lone 3 99 - 3 - HD3 LYS 24 - H GLU 43 lone 3 99 - 3 - Peak 10614 from nnoeabs.peaks (0.88, 8.02, 118.14 ppm; 4.87 A): 5 out of 8 assignments used, quality = 0.88: QG2 ILE 76 + H ARG 46 OK 68 100 - 68 - 3.2/9630=16...(15) HG13 ILE 7 + H ARG 46 OK 23 94 - 24 - 12098/4.5=4, 12099/4.5=4...(7) QG2 ILE 76 + H GLU 16 OK 22 48 - 47 - 9638/3.0=10, 9627/4.6=8...(14) HG13 ILE 8 + H ARG 46 OK 22 100 - 22 - 12098/4.5=3, 12099/4.5=3...(9) QD1 LEU 2 + H ARG 46 OK 21 100 - 21 - 12098/4.5=2, 9025/3.0=2...(7) QD1 LEU 2 - H GLU 16 poor 7 47 - 14 - 89/4.4=3, 8055/5.1=2...(4) HG13 ILE 7 - H GLU 16 poor 6 41 - 15 - 268/4.4=4, 10118/676=2...(4) HG13 ILE 8 - H GLU 16 lone 4 47 - 9 - 10426/5.1=1 Peak 10621 from nnoeabs.peaks (3.94, 7.62, 118.85 ppm; 5.54 A): 3 out of 4 assignments used, quality = 0.76: HA GLU 44 + H GLU 48 OK 58 96 - 60 - 1998/4.6=21, 1999/4.7=15...(12) HA TYR 41 + H GLU 48 OK 28 65 - 42 - 6758/4.6=7, 2133/4.7=6...(13) HB3 SER 9 + H GLU 48 OK 21 61 - 34 - 4.6/6121=5, 6758/4.6=5...(10) HB2 SER 97 - H GLU 48 lone 8 99 - 8 - 4182/10622=2, 6758/4.6=1 Peak 10622 from nnoeabs.peaks (3.87, 7.62, 118.85 ppm; 5.34 A): 6 out of 9 assignments used, quality = 0.95: HB3 SER 49 + H GLU 48 OK 73 92 - 79 - 3.0/10189=36...(7) HA LYS 40 + H GLU 48 OK 39 100 - 39 - 4.8/10621=6, 10619/3.0=5...(15) HA LYS 94 + H GLU 48 OK 35 100 - 35 - 4.7/6785=9, 4172/4.7=7...(8) HA GLU 43 + H GLU 48 OK 27 73 - 37 - 3.7/6793=6, 3.0/1976=6...(10) HA LEU 38 + H GLU 48 OK 19 97 - 20 - 2.9/6592=2, 3.6/6612=2...(6) HA LYS 12 + H GLU 48 OK 17 87 - 20 - ~12314=6, 10619/3.0=4...(4) HA2 GLY 101 - H GLU 48 lone 9 100 - 9 - 10619/3.0=1, 6757/4.6=1 HA2 GLY 100 - H GLU 48 lone 9 100 - 9 - 10619/3.0=1 HA ALA 67 - H GLU 48 lone 7 84 - 8 - 10619/3.0=1 Peak 10630 from nnoeabs.peaks (2.31, 8.55, 120.13 ppm; 4.81 A): 3 out of 6 assignments used, quality = 0.66: HB2 GLU 48 + H GLN 50 OK 42 70 - 60 - 3.0/12314=19...(12) HG2 GLU 48 + H GLN 50 OK 30 65 - 47 - 4.1/12314=16...(6) HG3 GLU 16 + H GLN 50 OK 17 70 - 25 - 3.0/6814=5, 1.8/10807=5...(8) HB2 TYR 41 - H GLN 50 lone 8 100 - 8 - 8891/6.6=2 HG3 GLU 43 - H GLN 50 lone 7 97 - 7 - 1.8/6814=1, 6801/4.6=1 HD3 ARG 81 - H GLN 50 lone 6 97 - 6 - 6.2/10926=2, 9746/2648=1 Peak 10659 from nnoeabs.peaks (1.53, 8.64, 131.90 ppm; 4.74 A): 4 out of 11 assignments used, quality = 0.95: HG12 ILE 56 + H LEU 55 OK 64 99 - 65 - ~9304=17, 2577/4.7=16...(13) HG2 ARG 79 + H LEU 55 OK 52 100 - 52 - 12198/2.9=9, ~12328=7...(14) HG3 ARG 79 + H LEU 55 OK 51 100 - 52 - 12199/2.9=9, ~12328=7...(13) HG LEU 6 + H LEU 55 OK 39 92 - 43 - 5.3/8199=18, 10209/4.1=6...(8) HB2 LEU 3 - H LEU 55 OK 20 65 - 31 - 4.4/8121=22, 6892/4.6=2...(5) HB ILE 7 - H LEU 55 OK 20 84 - 24 - 10209/4.1=6, 10207/4.1=5...(7) HB2 LEU 14 - H LEU 55 OK 17 84 - 20 - 6924/4.7=4, 10207/4.1=3...(5) HG3 ARG 30 - H LEU 55 OK 16 99 - 16 - 10207/4.1=3, 10209/4.1=3...(7) HD3 LYS 53 - H LEU 55 OK 11 70 - 16 - 9194/4.8=7, 2458/4.6=5 HG2 LYS 33 - H LEU 55 OK 11 84 - 13 - 4.9/9294=6, 1446/9294=2 HB3 LEU 103 - H LEU 55 lone 5 87 - 5 - 9251/4.8=1 Peak 10660 from nnoeabs.peaks (2.29, 8.64, 131.90 ppm; 5.41 A): 4 out of 6 assignments used, quality = 0.90: HB2 TYR 4 + H LEU 55 OK 84 99 - 85 - 3.8/8121=31, 9239/4.1=25...(8) HB2 GLU 48 + H LEU 55 OK 20 90 - 22 - 9239/4.1=5, 10204/3.6=4...(6) HG2 GLU 63 + H LEU 55 OK 13 96 - 14 - 9239/4.1=3, 10204/3.6=3...(5) HG3 GLU 16 + H LEU 55 OK 10 90 - 11 - 9239/4.1=2, 10204/3.6=2 HG2 GLU 95 - H LEU 55 lone 6 73 - 9 - 4.8/9293=5, 9246/4.1=2 HG2 GLU 23 - H LEU 55 lone 2 70 - 3 - Peak 10661 from nnoeabs.peaks (2.44, 8.64, 131.90 ppm; 5.69 A): 3 out of 7 assignments used, quality = 0.72: HB3 TYR 4 + H LEU 55 OK 63 77 - 82 - 3.8/8121=33, 9238/4.1=28...(7) HB2 ASP 11 + H LEU 55 OK 12 90 - 14 - 9238/4.1=6, 8362/4.5=2...(4) HG3 GLU 48 + H LEU 55 OK 11 81 - 14 - 3.0/10660=6, 9238/4.1=4...(4) HG3 GLU 17 - H LEU 55 lone 6 81 - 7 - 9238/4.1=1 HG3 GLN 50 - H LEU 55 lone 4 87 - 4 - HG3 GLU 99 - H LEU 55 lone 3 99 - 3 - HG2 GLN 72 - H LEU 55 lone 2 61 - 3 - Peak 10667 from nnoeabs.peaks (0.82, 9.19, 126.37 ppm; 4.51 A): 5 out of 8 assignments used, quality = 0.89: QD1 LEU 57 + H ILE 56 OK 70 100 - 70 - 2641/4.5=15...(15) QG2 VAL 32 + H ILE 56 OK 43 97 - 44 - 10165/3.0=15...(8) QD2 LEU 2 + H ILE 56 OK 16 73 - 22 - 4.7/9297=5, 9273/4.5=3...(7) QD2 LEU 38 + H ILE 56 OK 14 100 - 14 - 4.5/10554=5, 10674/4.0=3...(4) QD2 LEU 103 + H ILE 56 OK 14 100 - 14 - 10674/4.0=3, 6941/4.5=2...(5) QD1 LEU 70 - H ILE 56 lone 9 94 - 10 - 6941/4.5=3, 10674/4.0=1 QD2 LEU 70 - H ILE 56 lone 4 70 - 5 - 6941/4.5=1 QG2 ILE 15 - H ILE 56 lone 3 77 - 4 - Peak 10685 from nnoeabs.peaks (8.45, 8.93, 126.55 ppm; 5.49 A): 2 out of 3 assignments used, quality = 0.98: H ILE 7 + H LEU 57 OK 97 99 - 97 - 8237=42, 4.6/9333=35...(22) H LEU 29 + H LEU 57 OK 49 100 - 49 - 4.6/10505=14...(15) H LYS 53 - H LEU 57 OK 23 84 - 28 - 233/8239=3, 6069/9333=3...(13) Peak 10693 from nnoeabs.peaks (1.37, 8.93, 126.55 ppm; 4.78 A): 3 out of 5 assignments used, quality = 0.71: HG12 ILE 8 + H LEU 57 OK 49 87 - 56 - 4.6/9331=18, 8312/4.1=11...(15) HB3 ARG 30 + H LEU 57 OK 30 99 - 31 - 4.0/10505=12...(8) HB2 LEU 70 + H LEU 57 OK 20 98 - 20 - 3.1/6941=4, 9371/4.6=3...(7) HG3 LYS 94 - H LEU 57 lone 4 98 - 4 - HG3 LYS 40 - H LEU 57 lone 4 73 - 5 - Peak 10712 from nnoeabs.peaks (8.75, 8.54, 114.40 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.80: H ARG 81 + H VAL 58 OK 80 98 - 81 - 10926=38, 11122/3.6=29...(14) Peak 10722 from nnoeabs.peaks (3.92, 7.73, 117.52 ppm; 5.39 A): 3 out of 5 assignments used, quality = 0.83: HA GLU 63 + H ASN 60 OK 75 97 - 77 - 3.0/9413=22, 3.0/9414=18...(13) HB3 SER 9 + H ASN 60 OK 22 99 - 22 - 8349/4.6=11, 8349/6967=3...(5) HA TYR 41 + H ASN 60 OK 16 98 - 16 - 9402/4.6=4, 2773/9413=1...(4) HB2 SER 85 - H ASN 60 lone 5 65 - 7 - 9389/9410=2 HA GLU 44 - H ASN 60 lone 3 73 - 4 - 9402/4.6=2 Peak 10724 from nnoeabs.peaks (4.70, 8.80, 115.50 ppm; 5.54 A): 2 out of 2 assignments used, quality = 0.90: HA LYS 82 + H SER 59 OK 86 100 - 86 - 10228/4.2=31...(10) HA ARG 79 + H SER 59 OK 31 87 - 36 - 10723/3.0=10, 9421/4.6=9...(8) Peak 10725 from nnoeabs.peaks (1.91, 7.73, 117.52 ppm; 5.71 A): 6 out of 12 assignments used, quality = 0.80: HB ILE 8 + H ASN 60 OK 51 90 - 57 - 8300/9422=17...(5) HB3 LEU 14 + H ASN 60 OK 34 99 - 34 - 3.1/9420=9, 9400/4.6=8...(7) HG LEU 42 + H ASN 60 OK 14 92 - 15 - 2.1/9420=5, 9400/4.6=3...(4) HB3 LYS 13 + H ASN 60 OK 11 96 - 12 - 3.0/6969=3, 3.0/9415=3 HB2 ARG 19 + H ASN 60 OK 11 81 - 13 - 9400/4.6=3, 788/4.6=2...(4) HB2 LYS 13 + H ASN 60 OK 10 92 - 11 - 3.0/6969=3, 3.0/9415=3 HB2 GLU 43 - H ASN 60 lone 9 100 - 9 - 3.0/9413=2, 9400/4.6=1 HB3 LYS 47 - H ASN 60 poor 8 65 - 11 - 4.7/6795=5, 3.0/6969=2 HB3 LYS 33 - H ASN 60 lone 6 94 - 6 - 2.8/9415=2, 4.4/8770=1 HB2 LYS 20 - H ASN 60 lone 6 70 - 8 - 9400/4.6=2, 3.0/6970=1 HB2 LYS 33 - H ASN 60 lone 6 90 - 6 - 2.8/9415=2, 4.4/8770=1 HB2 LYS 94 - H ASN 60 lone 4 73 - 5 - 2.9/9416=1 Peak 10735 from nnoeabs.peaks (7.94, 8.40, 122.15 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.53: H ASP 65 + H GLU 62 OK 53 70 - 76 - 4.6/7027=29, 2731/3.0=24...(13) Peak 10738 from nnoeabs.peaks (1.80, 8.40, 122.15 ppm; 5.33 A): 2 out of 9 assignments used, quality = 0.68: HB3 GLU 63 + H GLU 62 OK 53 65 - 81 - 4.0/7010=47, 4.6/7027=31...(8) HB2 GLU 104 + H GLU 62 OK 32 84 - 38 - ~4529=8, 3.0/7005=7...(8) HB VAL 78 - H GLU 62 poor 9 73 - 12 - 4.4/7295=6, 10288/3569=1 HB2 GLU 88 - H GLU 62 poor 9 84 - 10 - 1.8/7007=2, ~2727=1, 4522/3.0=1 HB2 LEU 42 - H GLU 62 lone 8 90 - 9 - 3.1/10740=5 HB2 LYS 90 - H GLU 62 lone 5 73 - 6 - 4.1/10977=3 HB2 LYS 39 - H GLU 62 lone 5 100 - 5 - HB ILE 93 - H GLU 62 lone 3 97 - 4 - HG3 ARG 46 - H GLU 62 lone 3 94 - 4 - Peak 10739 from nnoeabs.peaks (1.50, 8.40, 122.15 ppm; 5.03 A): 3 out of 11 assignments used, quality = 0.79: HB3 LEU 64 + H GLU 62 OK 65 87 - 75 - 3.9/7027=32...(9) HG3 LYS 66 + H GLU 62 OK 23 94 - 25 - 9458/4.5=6, 3.6/9453=5...(7) HG2 LYS 66 + H GLU 62 OK 22 90 - 25 - 9458/4.5=6, 3.6/9453=5...(7) HG LEU 57 - H GLU 62 lone 6 100 - 6 - HG3 LYS 24 - H GLU 62 lone 5 98 - 5 - 1105/7027=2 HG2 LYS 47 - H GLU 62 lone 4 90 - 4 - HG2 LYS 73 - H GLU 62 lone 4 92 - 4 - HG3 LYS 13 - H GLU 62 lone 3 99 - 3 - HG3 LYS 33 - H GLU 62 lone 2 100 - 2 - HG LEU 2 - H GLU 62 lone 2 84 - 2 - HB2 ARG 91 - H GLU 62 lone 2 73 - 3 - Peak 10740 from nnoeabs.peaks (0.70, 8.40, 122.15 ppm; 5.73 A): 6 out of 7 assignments used, quality = 0.61: QD1 ILE 52 + H GLU 62 OK 20 99 - 20 - 9150/7027=3, 9448/3.6=3...(5) QD2 LEU 14 + H GLU 62 OK 18 94 - 19 - 9457/4.5=4, 9420/9435=2...(8) QD1 LEU 42 + H GLU 62 OK 15 90 - 17 - 9448/3.6=4, 3.1/10738=3...(5) QD1 ILE 56 + H GLU 62 OK 13 96 - 13 - 9457/4.5=4, 9420/9435=2...(5) QD1 ILE 8 + H GLU 62 OK 12 92 - 13 - 9457/4.5=3, 9420/9435=3...(4) QD2 LEU 6 + H GLU 62 OK 10 84 - 12 - 9448/3.6=3, 9467/7027=1 HG13 ILE 56 - H GLU 62 lone 7 77 - 9 - 9457/4.5=3, 9420/9435=1 Peak 10741 from nnoeabs.peaks (3.92, 8.40, 122.15 ppm; 5.05 A): 2 out of 4 assignments used, quality = 0.75: HA GLU 63 + H GLU 62 OK 71 90 - 79 - 2.9/7010=50, 3.6/7027=35...(8) HA TYR 41 + H GLU 62 OK 13 100 - 12 - 7019/4.5=3, ~2733=2...(4) HB3 SER 9 - H GLU 62 lone 7 100 - 7 - 7019/4.5=2, 10722/9435=1 HA GLU 44 - H GLU 62 lone 3 87 - 3 - Peak 10749 from nnoeabs.peaks (2.63, 8.38, 119.08 ppm; 5.50 A): 4 out of 4 assignments used, quality = 0.77: HB3 ASP 65 + H GLU 63 OK 51 90 - 58 - 4.0/7045=38, 2733/3.6=25...(4) HG3 MET 74 + H GLU 63 OK 31 97 - 32 - 10235/2.9=9, 3.4/7015=5...(9) HB3 TYR 41 + H GLU 63 OK 25 96 - 25 - 3.0/7019=6, 1892/2.9=4...(8) HB3 ASP 77 + H GLU 63 OK 10 99 - 10 - 2733/3.6=4, 7056/7045=3 Peak 10766 from nnoeabs.peaks (1.78, 7.92, 118.10 ppm; 4.66 A): 3 out of 7 assignments used, quality = 0.96: HB3 GLU 63 + H ASP 65 OK 73 100 - 73 - 4.0/7045=28, 4.6/7041=21...(12) HB2 LYS 66 + H ASP 65 OK 73 90 - 82 - 1.8/10777=27...(16) HB VAL 78 + H ASP 65 OK 39 100 - 39 - 2.1/7053=9, 10287/4.9=6...(9) HB3 LYS 82 - H ASP 65 OK 30 84 - 36 - 9758/4.9=8, 10255/4.9=6...(9) HB ILE 56 - H ASP 65 OK 21 81 - 26 - 3.2/9489=5, 2.9/9489=3...(11) HG3 ARG 19 - H ASP 65 OK 10 70 - 15 - 7069/4.6=3, 3.0/9492=2...(4) HG3 ARG 46 - H ASP 65 lone 6 92 - 7 - 7032/4.6=1 Peak 10767 from nnoeabs.peaks (2.02, 7.92, 118.10 ppm; 4.92 A): 2 out of 9 assignments used, quality = 0.63: HB2 GLU 62 + H ASP 65 OK 58 99 - 59 - 3.0/2731=33, 4.6/7045=28...(4) HB3 LYS 94 + H ASP 65 OK 11 100 - 11 - ~9500=2, 2726/2731=2...(5) HB3 GLU 99 - H ASP 65 poor 10 70 - 14 - 3.0/7044=8, 3.9/7057=4 HB2 GLU 35 - H ASP 65 poor 9 84 - 11 - 4.7/10773=4, 7015/7045=2 HB2 GLN 50 - H ASP 65 lone 8 100 - 8 - 10629/4.9=2 HG12 ILE 93 - H ASP 65 lone 7 70 - 9 - 1.8/7053=3, 3.2/7053=3, ~9504=2 QE MET 74 - H ASP 65 lone 6 61 - 10 - 7015/7045=2 HB3 GLU 17 - H ASP 65 lone 5 81 - 6 - 2726/2731=1 HB3 MET 1 - H ASP 65 lone 2 65 - 3 - Peak 10768 from nnoeabs.peaks (2.51, 7.92, 118.10 ppm; 4.90 A): 4 out of 9 assignments used, quality = 0.76: HG3 GLU 63 + H ASP 65 OK 52 94 - 55 - 4.8/7045=27...(5) HB2 ASP 61 + H ASP 65 OK 34 100 - 34 - 4.4/10735=13, 7034/4.6=7...(7) HB3 ASP 36 + H ASP 65 OK 13 100 - 13 - 3.6/10773=5, 7034/4.6=2 HB2 ASP 36 + H ASP 65 OK 13 100 - 13 - 3.6/10773=5, 7034/4.6=2 HG3 GLU 95 - H ASP 65 lone 5 61 - 8 - 7034/4.6=2, 7023/7045=2 HB3 ASP 87 - H ASP 65 lone 3 94 - 3 - HB2 ASP 87 - H ASP 65 lone 3 94 - 3 - HD2 ARG 91 - H ASP 65 lone 2 57 - 4 - HG3 GLU 23 - H ASP 65 lone 2 73 - 2 - Peak 10773 from nnoeabs.peaks (8.20, 7.92, 118.10 ppm; 4.66 A): 4 out of 6 assignments used, quality = 0.85: H LYS 68 + H ASP 65 OK 69 81 - 85 - 7099/3.6=24, 2855/3.0=23...(21) H GLU 104 + H ASP 65 OK 24 73 - 33 - 3.0/7044=9, 4.9/7052=8...(8) H GLU 43 + H ASP 65 OK 22 97 - 22 - 2855/3.0=4, 9487/4.0=3...(7) H ASP 36 + H ASP 65 OK 21 77 - 28 - 2855/3.0=5, 9487/4.0=3...(8) H PHE 96 - H ASP 65 lone 5 87 - 6 - 9705/9706=2 H SER 97 - H ASP 65 lone 4 73 - 6 - 9705/9706=1 Peak 10789 from nnoeabs.peaks (4.01, 8.19, 116.17 ppm; 4.64 A): 2 out of 4 assignments used, quality = 0.70: HA GLU 69 + H LYS 68 OK 50 73 - 68 - 3.0/7122=32, 3.6/7116=18...(10) HA LEU 70 + H LYS 68 OK 41 94 - 44 - 3.0/7116=20, ~7142=14...(7) HA GLU 95 - H LYS 68 poor 9 87 - 11 - 11014/3.6=3, 11012/3.6=3 HA GLU 75 - H LYS 68 lone 9 92 - 10 - 7132/4.6=2, 9554/7115=1 Peak 10805 from nnoeabs.peaks (8.29, 7.90, 119.49 ppm; 4.38 A): 0 out of 2 assignments used, low quality = 0.18: H LEU 103 - H GLU 69 OK 18 100 - 18 - 3.0/7118=9, 7647/3.6=5 H GLU 23 - H GLU 69 lone 8 90 - 9 - 6357/3.6=4, 10806/3.0=1 Peak 10819 from nnoeabs.peaks (1.48, 7.96, 119.43 ppm; 4.85 A): 8 out of 12 assignments used, quality = 0.91: HG2 LYS 66 + H LEU 70 OK 48 96 - 50 - 3.7/7139=15, 1.8/10778=8...(13) HG3 LYS 66 + H LEU 70 OK 46 92 - 50 - 3.7/7139=15, 10778=8...(13) HG2 LYS 73 + H LEU 70 OK 27 94 - 29 - ~9581=9, 10813/3.0=8...(6) HB3 LEU 64 + H LEU 70 OK 19 97 - 19 - 2825/4.6=4, 9481/10736=3...(7) HD3 LYS 40 + H LEU 70 OK 16 65 - 24 - 6.2/6638=6, 3.0/7150=6...(5) HG LEU 64 + H LEU 70 OK 15 100 - 15 - 2833/4.6=4, 9445/10736=2...(7) HD2 LYS 40 + H LEU 70 OK 15 61 - 24 - 6.2/6638=6, 3.0/7150=6...(5) HG LEU 57 + H LEU 70 OK 10 65 - 16 - 10813/3.0=3, 2.1/7154=2...(8) HG3 LYS 13 - H LEU 70 lone 8 81 - 10 - 10813/3.0=2, 10959/4.9=1 HG2 LYS 47 - H LEU 70 lone 7 96 - 8 - 10813/3.0=1 HB2 ARG 91 - H LEU 70 lone 6 100 - 6 - ~10992=1 HG3 LYS 53 - H LEU 70 lone 2 77 - 2 - Peak 10823 from nnoeabs.peaks (1.86, 8.26, 119.60 ppm; 5.04 A): 5 out of 16 assignments used, quality = 0.68: HB3 LYS 68 + H ALA 71 OK 33 87 - 38 - 3.0/12163=12...(7) HB VAL 5 + H ALA 71 OK 22 100 - 22 - 2.1/10370=7, 2.1/10369=5...(6) HB3 LYS 66 + H ALA 71 OK 16 100 - 16 - 9557/4.6=2, 2904/4.1=2...(6) HB2 LYS 12 + H ALA 71 OK 15 99 - 15 - 3.0/7164=3, 3.6/7161=1...(4) HB3 LYS 12 + H ALA 71 OK 15 97 - 15 - 3.0/7164=3, 3.6/7161=1...(4) HB3 LYS 39 - H ALA 71 lone 9 100 - 9 - 9557/4.6=1 HB3 LYS 68 - H PHE 45 poor 7 55 - 12 - 3.0/12163=4, 4.6/7166=3...(4) HB VAL 5 - H PHE 45 lone 5 71 - 6 - 2.1/10370=2, 2.1/10369=2 HB3 LYS 66 - H PHE 45 lone 4 71 - 6 - HB3 GLU 104 - H ALA 71 lone 3 90 - 3 - HB2 LYS 12 - H PHE 45 lone 3 68 - 4 - HB3 LYS 12 - H PHE 45 lone 3 65 - 5 - HB3 LYS 39 - H PHE 45 lone 3 70 - 4 - HB2 LYS 53 - H ALA 71 lone 2 65 - 3 - HB3 GLU 104 - H PHE 45 lone 2 58 - 3 - HB2 LYS 53 - H PHE 45 lone 1 39 - 2 - Peak 10826 from nnoeabs.peaks (7.75, 7.91, 115.96 ppm; 4.47 A): 3 out of 3 assignments used, quality = 0.82: H MET 74 + H GLN 72 OK 65 94 - 69 - 4.7/7196=23...(12) H VAL 78 + H GLN 72 OK 40 100 - 40 - 10830/3.6=16...(5) H GLU 37 + H GLN 72 OK 14 81 - 17 - 7213/4.6=3, 10848/3.0=3...(5) Peak 10827 from nnoeabs.peaks (8.08, 7.91, 115.96 ppm; 4.67 A): 5 out of 5 assignments used, quality = 0.82: H GLU 75 + H GLN 72 OK 56 99 - 57 - 2.9/9554=14...(11) H ILE 15 + H GLN 72 OK 21 97 - 22 - 6208/3.0=5, 6206/3.6=3...(5) H GLU 17 + H GLN 72 OK 21 65 - 32 - 5.1/7173=6, 4.0/9555=6...(8) H LYS 13 + H GLN 72 OK 21 98 - 21 - 6173/3.0=4, 2.9/7171=4...(6) H LYS 39 + H GLN 72 OK 17 100 - 17 - 6613/4.6=3, 4.0/9557=2...(5) Peak 10847 from nnoeabs.peaks (0.77, 7.91, 115.96 ppm; 4.27 A): 0 out of 10 assignments used, low quality = 0.36: QG1 VAL 54 - H GLN 72 OK 23 96 - 25 - 10210/3.6=14, 10658/3.6=9 QD1 LEU 27 - H GLN 72 OK 17 100 - 16 - 2.1/9558=5, 1220/4.6=4 QD1 ILE 93 - H GLN 72 lone 9 100 - 9 - 4169/4.6=4 QD2 LEU 42 - H GLN 72 lone 8 100 - 8 - 8924/3.6=4, 1943/7143=1 QD1 ILE 15 - H GLN 72 lone 8 92 - 9 - 5.0/10827=3, 8446/3.6=2 QG2 ILE 93 - H GLN 72 poor 6 61 - 10 - 4.3/7168=5, 4145/4.6=2 HG13 ILE 15 - H GLN 72 lone 5 77 - 7 - 4.6/10827=3, 10838/3.6=1 QG2 ILE 8 - H GLN 72 lone 4 70 - 6 - 3.0/9558=2 QG2 ILE 52 - H GLN 72 lone 4 94 - 4 - QD1 LEU 6 - H GLN 72 lone 3 100 - 3 - Peak 10855 from nnoeabs.peaks (8.10, 7.84, 119.03 ppm; 4.73 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10856 from nnoeabs.peaks (8.25, 7.84, 119.03 ppm; 4.85 A): 3 out of 4 assignments used, quality = 0.73: H ALA 71 + H LYS 73 OK 49 81 - 60 - 4.6/7196=26, 3.6/9578=21...(5) H LEU 27 + H LYS 73 OK 40 99 - 40 - 8637/3.6=11, 6433=8...(13) H LYS 94 + H LYS 73 OK 12 65 - 19 - 7168/4.6=4, 10825/4.6=4...(4) H PHE 45 - H LYS 73 lone 8 81 - 10 - 7168/4.6=3, 3131/9578=1 Peak 10857 from nnoeabs.peaks (4.02, 7.75, 115.79 ppm; 4.29 A): 4 out of 4 assignments used, quality = 0.77: HA LEU 70 + H MET 74 OK 49 100 - 49 - 10810/4.7=16...(9) HA GLU 75 + H MET 74 OK 33 61 - 54 - 2.9/7233=20, 3.5/9583=12...(9) HA GLU 95 + H MET 74 OK 24 100 - 24 - 9578/4.7=5, 4.1/7228=4...(7) HB3 SER 59 + H MET 74 OK 12 70 - 16 - 1.8/7216=3, 9578/4.7=2...(9) Peak 10858 from nnoeabs.peaks (3.86, 7.75, 115.79 ppm; 4.24 A): 7 out of 10 assignments used, quality = 0.83: HA LEU 38 + H MET 74 OK 36 94 - 39 - 2.9/6579=10, 3.6/6594=7...(10) HA ALA 71 + H MET 74 OK 36 61 - 59 - ~10871=13, 3.6/10826=12...(13) HA LYS 40 + H MET 74 OK 21 100 - 21 - 3.6/7215=3, 1781/4.0=2...(7) HB3 SER 49 + H MET 74 OK 17 96 - 18 - ~9074=4, 9068/6.0=2...(5) HA LYS 12 + H MET 74 OK 17 92 - 18 - 3.6/7231=5, 3.7/3281=3...(6) HA ALA 67 + H MET 74 OK 13 90 - 14 - 9611/4.8=2, 10860/4.0=2...(4) HA LYS 94 + H MET 74 OK 11 100 - 11 - 11014/10857=1...(3) HA GLU 43 - H MET 74 poor 10 65 - 15 - 9610/6.0=4, 3.0/7226=3...(4) HA2 GLY 100 - H MET 74 lone 6 100 - 6 - 10091/6.0=1 HA2 GLY 101 - H MET 74 lone 5 100 - 5 - Peak 10864 from nnoeabs.peaks (2.19, 7.75, 115.79 ppm; 4.23 A): 10 out of 11 assignments used, quality = 0.92: HB3 GLU 75 + H MET 74 OK 46 99 - 47 - 4.0/7233=15, 2.9/9625=14...(7) HG3 GLU 75 + H MET 74 OK 33 90 - 37 - 5.0/7233=12, 4.0/9625=11...(8) HG2 GLU 75 + H MET 74 OK 31 84 - 37 - 5.0/7233=12, 4.0/9625=11...(8) HG2 MET 1 + H MET 74 OK 20 84 - 24 - 3.0/7230=6, 4.2/7216=3...(10) HG2 GLU 35 + H MET 74 OK 18 90 - 20 - 2.9/7230=5, 4.9/8771=4...(5) HG3 GLU 35 + H MET 74 OK 18 90 - 20 - 2.9/7230=5, 4.9/8771=4...(5) HB3 GLN 50 + H MET 74 OK 13 90 - 14 - 2290/3.0=3, 3.0/7225=3...(5) HG2 GLU 43 + H MET 74 OK 12 100 - 12 - 3.0/7226=3, 3.7/10858=2, ~3328=1 HB2 GLU 95 + H MET 74 OK 12 61 - 19 - 3.0/10857=6, 2.9/7228=6...(5) HB2 GLU 63 + H MET 74 OK 11 87 - 13 - 10236/4.8=3, 3.0/7228=2...(4) HG3 PRO 86 - H MET 74 lone 5 92 - 6 - 7242/4.6=2 Peak 10897 from nnoeabs.peaks (0.70, 8.89, 126.14 ppm; 5.33 A): 6 out of 7 assignments used, quality = 0.82: QD1 ILE 8 + H ASP 77 OK 33 90 - 37 - 9646/4.4=9, 10877/4.3=8...(7) QD2 LEU 14 + H ASP 77 OK 33 92 - 35 - 626/4.6=10, 9646/4.4=6...(7) QD1 LEU 42 + H ASP 77 OK 29 92 - 32 - 10877/4.3=10, 9646/4.4=8...(6) QD1 ILE 52 + H ASP 77 OK 22 99 - 22 - 10640/4.3=7, 9173/3.6=5...(4) QD2 LEU 6 + H ASP 77 OK 16 87 - 18 - 9646/4.4=4, 10877/4.3=4...(6) QD1 ILE 56 + H ASP 77 OK 12 94 - 13 - 9646/4.4=3, 10877/4.3=2 HG13 ILE 56 - H ASP 77 lone 6 73 - 8 - 9646/4.4=2, 8317/3.6=1 Peak 10898 from nnoeabs.peaks (0.88, 7.75, 122.84 ppm; 4.96 A): 3 out of 7 assignments used, quality = 0.92: QG2 ILE 76 + H VAL 78 OK 82 98 - 84 - 9635/3.0=33, 4.3/7273=25...(13) QD2 LEU 64 + H VAL 78 OK 36 77 - 48 - 10906/4.0=25...(7) HG13 ILE 8 + H VAL 78 OK 25 92 - 27 - 2.9/9684=4, 7264/4.6=4...(9) HG13 ILE 7 - H VAL 78 OK 22 73 - 30 - 1.8/9683=8, ~9688=6...(8) QD1 LEU 2 - H VAL 78 OK 19 99 - 19 - 84/4.6=5, 7264/4.6=3...(6) QD1 LEU 38 - H VAL 78 OK 14 70 - 21 - 10894/4.4=7, 10906/4.0=4...(6) QD1 LEU 103 - H VAL 78 poor 9 84 - 11 - 10906/4.0=4, 10894/4.4=2...(4) Peak 10899 from nnoeabs.peaks (1.66, 7.75, 122.84 ppm; 5.46 A): 6 out of 14 assignments used, quality = 0.93: HB ILE 76 + H VAL 78 OK 65 84 - 78 - 4.4/7273=28, ~9635=28...(12) HB3 ARG 79 + H VAL 78 OK 37 100 - 37 - 4.1/7281=17, 10908/4.0=7...(5) HD3 LYS 73 + H VAL 78 OK 27 96 - 28 - 3.0/3281=5, 5.1/3237=4...(9) HD2 LYS 73 + H VAL 78 OK 26 92 - 28 - 3.0/3281=5, 5.1/3237=4...(9) HD2 LYS 68 + H VAL 78 OK 25 99 - 26 - ~9690=6, 10289/4.0=5...(7) HD3 LYS 68 + H VAL 78 OK 25 98 - 26 - ~9690=6, 10289/4.0=6...(7) HD2 LYS 39 - H VAL 78 OK 24 100 - 24 - ~9690=6, 10289/4.0=3...(9) HG2 LYS 68 - H VAL 78 OK 17 77 - 23 - 10289/4.0=6, ~10348=4...(8) HD3 LYS 39 - H VAL 78 OK 14 73 - 19 - 10289/4.0=3, 3.0/9683=2...(8) HB3 LEU 6 - H VAL 78 OK 13 94 - 14 - 7290/4.6=3, 10893/4.4=2...(5) HB2 LYS 40 - H VAL 78 lone 7 90 - 8 - HB ILE 52 - H VAL 78 lone 5 84 - 7 - 10893/4.4=3, 7290/4.6=1 HG3 LYS 20 - H VAL 78 lone 4 70 - 6 - 10893/4.4=2, 3.0/9684=1 HD3 LYS 20 - H VAL 78 lone 3 70 - 5 - 10893/4.4=1, 3.5/9684=1 Peak 10919 from nnoeabs.peaks (1.38, 8.42, 118.08 ppm; 5.31 A): 0 out of 5 assignments used, low quality = 0.40: HB3 ARG 30 - H THR 80 OK 40 97 - 42 - 1.8/7299=10, 1337/4.6=8...(11) HG3 LYS 94 - H THR 80 lone 7 100 - 7 - 3.0/7299=2, 1323/7299=1 HG12 ILE 8 - H THR 80 lone 5 77 - 6 - 8294/4.6=1 HB2 LEU 70 - H THR 80 lone 4 94 - 4 - HG3 LYS 40 - H THR 80 lone 2 61 - 4 - Peak 10920 from nnoeabs.peaks (4.38, 8.42, 118.08 ppm; 6.08 A): 2 out of 4 assignments used, quality = 0.59: HA ARG 81 + H THR 80 OK 50 57 - 87 - 3.0/7308=47, ~3563=30...(9) HA ASP 61 + H THR 80 OK 19 70 - 26 - 3.0/6999=7, 3.0/2723=5...(8) HA SER 102 - H THR 80 lone 4 100 - 4 - HA GLN 50 - H THR 80 lone 3 73 - 4 - ~10200=2 Peak 10921 from nnoeabs.peaks (1.76, 8.76, 122.84 ppm; 4.08 A): 5 out of 6 assignments used, quality = 0.94: HB ILE 56 + H ARG 81 OK 75 100 - 75 - 2.1/9735=23, 3.8/9298=22...(13) HB3 LYS 82 + H ARG 81 OK 66 100 - 66 - 3659/4.7=22, 3.0/9740=13...(14) HB2 LYS 66 + H ARG 81 OK 12 99 - 12 - 9719/4.4=3, 9729/4.2=2...(4) HB VAL 78 + H ARG 81 OK 12 65 - 18 - 10288/4.2=6, 7333/4.7=3...(6) HG3 ARG 19 + H ARG 81 OK 11 100 - 11 - 7333/4.7=2, 9729/4.2=2...(4) HB3 GLU 63 - H ARG 81 lone 5 73 - 6 - 7333/4.7=1, ~3581=1 Peak 10926 from nnoeabs.peaks (8.54, 8.76, 122.84 ppm; 4.00 A): 2 out of 4 assignments used, quality = 0.84: H VAL 58 + H ARG 81 OK 82 100 - 82 - 10712=44, 3.6/11122=29...(14) H GLN 50 + H ARG 81 OK 10 99 - 10 - 2648/9338=2...(4) H ASN 51 - H ARG 81 poor 10 92 - 11 - 2648/9338=2...(5) H LYS 12 - H ARG 81 lone 1 65 - 2 - Peak 10939 from nnoeabs.peaks (0.86, 8.72, 124.67 ppm; 3.93 A): 3 out of 4 assignments used, quality = 0.79: QD2 LEU 64 + H LYS 82 OK 64 100 - 64 - 10247=27, ~9486=11...(13) QD1 LEU 103 + H LYS 82 OK 25 100 - 25 - 10247=6, 9756/4.0=5...(9) QD1 LEU 38 + H LYS 82 OK 23 100 - 23 - 9756/4.0=6, 9758/4.0=5...(8) QD1 LEU 2 - H LYS 82 lone 3 61 - 5 - 3.1/7332=1 Peak 10951 from nnoeabs.peaks (7.57, 7.69, 115.56 ppm; 4.94 A): 4 out of 4 assignments used, quality = 0.91: H GLU 88 + H SER 85 OK 68 99 - 69 - 9845/4.0=13, 9847/4.0=13...(15) H LYS 24 + H SER 85 OK 50 97 - 52 - 9845/4.0=9, 9847/4.0=9...(15) H LEU 14 + H SER 85 OK 25 81 - 31 - 4.8/10413=13, 4.9/9862=5...(6) H ILE 76 + H SER 85 OK 22 98 - 22 - 9847/4.0=4, 9845/4.0=4...(7) Peak 10963 from nnoeabs.peaks (8.04, 8.13, 115.38 ppm; 4.53 A): 1 out of 4 assignments used, quality = 0.84: H LYS 90 + H ASP 87 OK 84 97 - 87 - 9951/2.9=35, 7426=21...(17) H SER 102 - H ASP 87 poor 9 57 - 15 - 10962/2.9=5, 4.6/7629=2...(4) H ARG 46 - H ASP 87 poor 8 73 - 11 - 9852/3.5=3, 3.0/7376=2...(4) H GLY 101 - H ASP 87 lone 7 73 - 9 - 7629=2, 9852/3.5=2...(4) Peak 10975 from nnoeabs.peaks (2.50, 7.42, 118.87 ppm; 4.73 A): 5 out of 8 assignments used, quality = 0.92: HB2 ASP 87 + H ALA 89 OK 56 96 - 59 - 3.0/9924=31, 4.6/7400=15...(9) HB3 ASP 87 + H ALA 89 OK 56 96 - 59 - 3.0/9924=31, 4.6/7400=15...(9) HG3 GLU 23 + H ALA 89 OK 28 77 - 37 - 2.9/7403=9, 2.9/7404=8...(9) HD2 ARG 91 + H ALA 89 OK 27 61 - 44 - 6.1/7429=18, 9961/3.6=7...(11) HG3 GLU 63 + H ALA 89 OK 17 92 - 19 - 2794/3.0=3, 9945/4.5=3...(8) HB2 ASP 36 - H ALA 89 lone 7 100 - 6 - 8796/4.6=2 HB3 ASP 36 - H ALA 89 lone 7 100 - 6 - 8796/4.6=2 HB2 ASP 61 - H ALA 89 lone 5 99 - 5 - 9945/4.5=1 Peak 10976 from nnoeabs.peaks (1.24, 7.42, 118.87 ppm; 4.79 A): 2 out of 2 assignments used, quality = 0.45: QG2 THR 84 + H ALA 89 OK 30 100 - 30 - 4.3/10303=13...(4) QB ALA 18 + H ALA 89 OK 22 70 - 32 - ~9940=15, ~12030=5...(7) Peak 10977 from nnoeabs.peaks (8.39, 8.05, 114.83 ppm; 5.26 A): 0 out of 2 assignments used, low quality = 0.21: H GLU 63 - H LYS 90 OK 21 100 - 21 - 7019/3.6=5, 2.9/7414=4...(6) H GLU 62 - H LYS 90 lone 5 65 - 8 - 4.0/9944=3, 4.4/9945=1 Peak 10980 from nnoeabs.peaks (8.26, 7.47, 119.03 ppm; 5.04 A): 4 out of 4 assignments used, quality = 0.89: H LYS 94 + H ARG 91 OK 74 100 - 74 - 7501/3.6=19, 7473/4.6=19...(17) H PHE 45 + H ARG 91 OK 34 100 - 34 - 6735=9, 10979/3.6=5...(7) H ALA 71 + H ARG 91 OK 24 100 - 24 - 6735=5, 10979/3.6=5...(7) H GLU 23 + H ARG 91 OK 18 84 - 22 - 5.0/7446=3, 7473/4.6=3...(8) Peak 10981 from nnoeabs.peaks (6.89, 7.47, 119.03 ppm; 5.73 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10983 from nnoeabs.peaks (4.80, 7.47, 119.03 ppm; 5.24 A): 3 out of 3 assignments used, quality = 0.62: HA TRP 92 + H ARG 91 OK 47 81 - 58 - 2.9/7455=29, 3.6/7449=18...(10) HA VAL 83 + H ARG 91 OK 21 96 - 22 - ~9824=4, 3.0/10990=4...(6) HA ASN 60 + H ARG 91 OK 11 97 - 11 - 7463/4.6=5, 7483/7449=1 Peak 10985 from nnoeabs.peaks (7.00, 7.00, 84.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 91 + HE ARG 91 OK 100 100 - 100 Peak 10986 from nnoeabs.peaks (2.67, 7.00, 84.68 ppm; 5.18 A): 1 out of 3 assignments used, quality = 0.99: HD3 ARG 91 + HE ARG 91 OK 99 99 - 100 - 2.9=100 HB3 ASN 51 - HE ARG 91 OK 43 94 - 46 - 4051/4.0=7, 4032/4.6=7...(14) HD2 ARG 30 - HE ARG 91 OK 37 97 - 38 - 4051/4.0=6, 4032/4.6=6...(11) Peak 10987 from nnoeabs.peaks (2.49, 7.00, 84.68 ppm; 4.83 A): 1 out of 8 assignments used, quality = 0.99: HD2 ARG 91 + HE ARG 91 OK 99 99 - 100 - 2.9=100 HG3 GLU 23 - HE ARG 91 OK 31 100 - 31 - 10459/4.0=7, 4050/4.0=5...(10) HB2 ASP 87 - HE ARG 91 OK 31 98 - 31 - 4050/4.0=6, 4077/2.9=5...(10) HB3 ASP 87 - HE ARG 91 OK 31 98 - 31 - 4050/4.0=6, 4077/2.9=5...(10) HB2 ASP 36 - HE ARG 91 lone 4 81 - 5 - HB3 ASP 36 - HE ARG 91 lone 4 77 - 5 - HG3 GLU 98 - HE ARG 91 lone 3 65 - 5 - HB2 ASP 61 - HE ARG 91 lone 1 65 - 1 - Peak 10988 from nnoeabs.peaks (1.46, 7.00, 84.68 ppm; 5.15 A): 3 out of 14 assignments used, quality = 0.93: HG3 ARG 91 + HE ARG 91 OK 87 87 - 100 - 4.0=100 HG2 LYS 53 + HE ARG 91 OK 30 100 - 30 - 3.9/9216=6, 3.9/9216=6...(13) HD2 LYS 53 + HE ARG 91 OK 29 99 - 30 - 3.0/9216=7, 3.0/9216=7...(11) HB2 LEU 38 - HE ARG 91 OK 27 94 - 29 - 4076/2.9=4, 4067/2.9=4...(12) HG3 LYS 53 - HE ARG 91 OK 25 99 - 26 - 3.9/9216=6, 3.9/9216=6...(11) HD2 LYS 82 - HE ARG 91 OK 24 99 - 24 - 2.9/10989=5, ~4075=4...(8) HG2 LYS 20 - HE ARG 91 OK 21 97 - 22 - 4076/2.9=3, 4067/2.9=3...(9) HG LEU 38 - HE ARG 91 OK 21 99 - 21 - 4060/2.9=4, 4030/4.6=3...(9) HG13 ILE 52 - HE ARG 91 OK 11 97 - 11 - 4076/2.9=2, 4067/2.9=2...(4) HD2 LYS 40 - HE ARG 91 OK 11 100 - 10 - 3696/4.0=1, 4067/2.9=1...(5) HD3 LYS 40 - HE ARG 91 OK 10 100 - 10 - 4067/2.9=1, 4076/2.9=1...(5) HG LEU 64 - HE ARG 91 poor 8 73 - 10 - ~9962=2, ~4064=1...(5) HB2 LEU 27 - HE ARG 91 lone 5 97 - 5 - 3.0/8648=1 HG2 LYS 12 - HE ARG 91 lone 3 61 - 5 - Peak 10989 from nnoeabs.peaks (1.08, 7.00, 84.68 ppm; 5.23 A): 2 out of 3 assignments used, quality = 1.00: HG2 ARG 91 + HE ARG 91 OK 100 100 - 100 - 4.0=100 HG12 ILE 76 + HE ARG 91 OK 52 90 - 58 - 10886=15, 4075/2.9=13...(10) HG2 LYS 82 - HE ARG 91 OK 25 77 - 32 - 4075/2.9=7, 4066/2.9=7...(10) Peak 10990 from nnoeabs.peaks (2.10, 7.47, 119.03 ppm; 4.67 A): 6 out of 9 assignments used, quality = 0.94: QE MET 21 + H ARG 91 OK 64 100 - 64 - 8543/3.6=20, 8539=19...(14) HB3 PRO 86 + H ARG 91 OK 56 97 - 58 - 4.9/9963=21, 3.9/7448=14...(12) HB VAL 83 + H ARG 91 OK 25 77 - 33 - 3.0/10983=7, ~9824=5...(9) HB2 GLU 23 + H ARG 91 OK 23 90 - 26 - 2.9/7446=4, 10462/4.8=3...(11) HB3 GLU 35 + H ARG 91 OK 18 70 - 25 - 3.0/7441=4, ~1535=3...(10) HG3 GLU 104 + H ARG 91 OK 15 100 - 15 - 4544/4.1=3, 10309/4.1=2...(5) HB2 LEU 64 - H ARG 91 poor 9 77 - 12 - 3.0/7442=2, 1.8/7442=2...(4) HB3 GLU 62 - H ARG 91 lone 7 94 - 8 - 9944/4.6=2 HG3 GLU 37 - H ARG 91 lone 6 87 - 7 - 8846/3.9=2 Peak 10991 from nnoeabs.peaks (1.33, 7.47, 119.03 ppm; 4.05 A): 8 out of 10 assignments used, quality = 0.91: QB ALA 89 + H ARG 91 OK 70 100 - 70 - 2.9/7429=34, 3.6/7431=25...(10) HG2 LYS 94 + H ARG 91 OK 36 100 - 36 - 4.9/10980=7, 4.9/7449=6...(14) HB2 LYS 82 + H ARG 91 OK 16 97 - 17 - 2.9/7444=4, 3652/4.8=3...(7) QB ALA 25 + H ARG 91 OK 13 100 - 14 - 3.6/6418=2, 7407/7429=2 HG LEU 14 + H ARG 91 OK 12 81 - 15 - 7415/4.6=3, 611/3.6=3...(5) HB3 LEU 27 + H ARG 91 OK 11 96 - 12 - 3.1/9955=2, 1.8/7445=1 HG3 LYS 68 + H ARG 91 OK 11 84 - 13 - 2.9/7434=4, 3034/4.1=3...(4) HB3 LEU 2 + H ARG 91 OK 11 100 - 11 - HG2 LYS 39 - H ARG 91 poor 10 94 - 10 - 1.8/7445=1, 3.0/7433=1 QB ALA 67 - H ARG 91 lone 6 100 - 6 - Peak 10993 from nnoeabs.peaks (1.00, 8.14, 118.10 ppm; 5.30 A): 2 out of 2 assignments used, quality = 0.70: QG1 VAL 83 + H TRP 92 OK 64 87 - 74 - 14635/5.9=22...(16) QG2 THR 80 + H TRP 92 OK 17 65 - 26 - 9995/5.9=7, 14642/5.9=5...(9) Peak 10994 from nnoeabs.peaks (1.34, 8.14, 118.10 ppm; 5.33 A): 3 out of 12 assignments used, quality = 0.92: QB ALA 89 + H TRP 92 OK 81 99 - 82 - 3.6/7453=35, 2.1/3904=22...(15) HG2 LYS 94 + H TRP 92 OK 45 99 - 45 - 4.9/7473=19, 4.9/7472=12...(5) HG LEU 14 + H TRP 92 OK 25 98 - 26 - 8404/5.9=4, 8404/7467=3...(10) HB2 LYS 82 - H TRP 92 OK 21 100 - 21 - 2.9/7459=6, 3.5/7460=3...(7) QB ALA 25 - H TRP 92 OK 15 99 - 16 - 10991/4.6=2...(5) HB3 LEU 27 - H TRP 92 OK 13 100 - 13 - 3.1/9983=2, 10991/4.6=2...(4) HB3 LEU 2 - H TRP 92 OK 12 90 - 13 - 14634/5.9=3, 10991/4.6=2 HG2 LYS 39 - H TRP 92 lone 10 100 - 10 - 10991/4.6=2 HG3 LYS 68 - H TRP 92 lone 8 99 - 8 - 10991/4.6=2, 7415/7453=1 QB ALA 67 - H TRP 92 lone 8 97 - 8 - HG3 LYS 40 - H TRP 92 lone 6 77 - 7 - 3.0/7460=1, 3.0/7460=1 HG12 ILE 8 - H TRP 92 lone 3 61 - 4 - 3.1/9983=2 Peak 11006 from nnoeabs.peaks (4.03, 8.26, 121.69 ppm; 5.49 A): 2 out of 4 assignments used, quality = 0.96: HA GLU 95 + H LYS 94 OK 80 100 - 80 - 3.0/7528=26...(14) HA LEU 70 + H LYS 94 OK 79 99 - 80 - 3131=15, 3.0/3140=14...(20) HB3 SER 59 - H LYS 94 lone 6 87 - 7 - 7538/4.6=2 HA GLU 16 - H LYS 94 lone 3 57 - 6 - ~6225=1 Peak 11007 from nnoeabs.peaks (2.19, 8.26, 121.69 ppm; 5.26 A): 7 out of 10 assignments used, quality = 0.93: HB2 GLU 95 + H LYS 94 OK 62 90 - 70 - 4.0/7528=23, 4.6/7548=19...(11) HG2 GLU 43 + H LYS 94 OK 44 99 - 45 - 3.7/7502=11, 5.0/6698=10...(15) HG2 GLU 35 + H LYS 94 OK 27 100 - 27 - 4.1/7502=6, 2.9/7514=3...(9) HG3 GLU 35 + H LYS 94 OK 27 100 - 27 - 4.1/7502=6, 2.9/7514=3...(9) HG3 PRO 86 + H LYS 94 OK 19 100 - 19 - ~4183=3, 3846/7473=3...(7) HB2 GLU 63 + H LYS 94 OK 12 99 - 12 - 7539/4.6=2, 3.0/10035=2 HG2 MET 1 + H LYS 94 OK 11 99 - 11 - 1.8/10034=2, ~8031=2, 7539/4.6=1 HB3 GLN 50 - H LYS 94 poor 9 61 - 15 - 1.8/7514=4, ~4173=3...(5) HB3 GLU 75 - H LYS 94 lone 6 99 - 6 - HG3 GLU 75 - H LYS 94 lone 1 61 - 2 - Peak 11011 from nnoeabs.peaks (0.50, 8.26, 121.69 ppm; 5.87 A): 1 out of 1 assignment used, quality = 0.91: QD2 LEU 55 + H LYS 94 OK 91 99 - 91 - 9262/3.6=47...(12) Peak 11020 from nnoeabs.peaks (1.35, 7.66, 120.59 ppm; 5.05 A): 5 out of 12 assignments used, quality = 0.76: HB3 LEU 27 + H GLU 98 OK 37 99 - 38 - 10069/3.6=14...(7) HG2 LYS 94 + H GLU 98 OK 29 94 - 31 - 3.7/7582=13, 10069/3.6=5...(6) QB ALA 25 + H GLU 98 OK 27 94 - 29 - 1154/3.6=11, 10130/4.5=7...(4) QB ALA 67 + H GLU 98 OK 16 90 - 18 - 2.1/7582=5, 10069/3.6=3...(6) HG3 LYS 68 + H GLU 98 OK 10 100 - 10 - 4.0/7587=3, 10069/3.6=3 QB ALA 89 - H GLU 98 lone 7 94 - 7 - 10069/3.6=1 HG2 LYS 39 - H GLU 98 lone 5 100 - 5 - HG3 LYS 40 - H GLU 98 lone 5 90 - 5 - 3.8/7582=2 HB2 LYS 82 - H GLU 98 lone 5 99 - 5 - 10069/3.6=1 HG LEU 14 - H GLU 98 lone 5 100 - 5 - HB3 LEU 2 - H GLU 98 lone 4 77 - 5 - HG12 ILE 8 - H GLU 98 lone 2 77 - 2 - Peak 11021 from nnoeabs.peaks (0.74, 7.66, 120.59 ppm; 4.81 A): 5 out of 10 assignments used, quality = 0.76: QG2 ILE 93 + H GLU 98 OK 43 99 - 43 - 10324/4.5=21...(8) QD2 LEU 27 + H GLU 98 OK 28 73 - 38 - 10068/3.6=12...(6) HG13 ILE 93 + H GLU 98 OK 21 100 - 21 - 10068/3.6=4, 10079/4.5=4...(7) QG1 VAL 78 + H GLU 98 OK 17 100 - 17 - 10904/3.6=9, 10074/4.5=3...(4) HG3 ARG 81 + H GLU 98 OK 13 98 - 13 - 10074/4.5=4, 10079/4.5=4 QD1 LEU 64 - H GLU 98 lone 6 99 - 5 - QG1 VAL 5 - H GLU 98 lone 5 61 - 8 - 10068/3.6=2, 10079/4.5=2 QD1 ILE 15 - H GLU 98 lone 5 81 - 6 - HG13 ILE 15 - H GLU 98 lone 3 94 - 4 - QG1 VAL 54 - H GLU 98 lone 2 73 - 3 - Peak 11036 from nnoeabs.peaks (3.17, 7.45, 83.22 ppm; 3.44 A): 2 out of 3 assignments used, quality = 1.00: HD3 ARG 19 + HE ARG 19 OK 100 100 - 100 - 2.9=100 * HD2 ARG 19 + HE ARG 19 OK 100 100 - 100 - 2.9=100 HB2 HIS 106 - HE ARG 19 lone 3 90 - 3 - Peak 11037 from nnoeabs.peaks (2.31, 5.83, 83.71 ppm; 5.35 A): 1 out of 7 assignments used, quality = 1.00: * HD3 ARG 81 + HE ARG 81 OK 100 100 - 100 - 2.9=100 HB2 TYR 4 - HE ARG 81 OK 20 69 - 29 - ~10366=6, 3617/4.0=4...(9) HB2 TYR 41 - HE ARG 81 OK 19 98 - 20 - 3608/4.0=3, 3617/4.0=3...(8) HB2 GLU 48 - HE ARG 81 OK 19 91 - 21 - 3608/4.0=3, 3617/4.0=3...(9) HG2 GLU 63 - HE ARG 81 OK 15 83 - 18 - 3617/4.0=3, 3608/4.0=3...(9) HG3 GLU 16 - HE ARG 81 OK 15 91 - 16 - 3617/4.0=3, 3608/4.0=3...(6) HG3 GLU 43 - HE ARG 81 poor 9 80 - 10 - 3608/4.0=1, 3617/4.0=1...(5) Peak 11038 from nnoeabs.peaks (3.31, 7.47, 84.20 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: HD2 ARG 46 + HE ARG 46 OK 100 100 - 100 - 2.9=100 Peak 11040 from nnoeabs.peaks (3.19, 7.47, 84.20 ppm; 4.27 A): 1 out of 6 assignments used, quality = 1.00: HD3 ARG 46 + HE ARG 46 OK 100 100 - 100 - 2.9=100 HB3 TRP 92 - HE ARG 46 OK 31 100 - 31 - 4.0/7455=5, 2093/3.6=4...(11) HB2 HIS 106 - HE ARG 46 OK 22 94 - 23 - 2102/3.6=4, 2093/3.6=4...(8) HD3 ARG 19 - HE ARG 46 OK 12 70 - 17 - 2093/3.6=3, 2102/3.6=3...(6) HD2 ARG 19 - HE ARG 46 OK 12 70 - 17 - 2093/3.6=3, 2102/3.6=3...(6) HB2 ASP 77 - HE ARG 46 poor 8 77 - 10 - 2102/3.6=2, 2093/3.6=1...(7) Peak 11041 from nnoeabs.peaks (1.98, 7.47, 84.20 ppm; 4.38 A): 2 out of 10 assignments used, quality = 0.99: HB2 ARG 46 + HE ARG 46 OK 98 100 - 98 - 4.5=89, 2071/3.6=19...(16) HB3 ARG 46 + HE ARG 46 OK 72 73 - 98 - 4.5=89, 1.8/2075=16...(16) HB2 LYS 47 - HE ARG 46 OK 41 97 - 42 - 2134=6, 3.0/2168=6...(17) HB3 MET 74 - HE ARG 46 OK 33 84 - 39 - ~12326=14, ~9012=9...(7) HB2 LYS 24 - HE ARG 46 OK 13 84 - 15 - 2106/2.9=2, 2115/2.9=2...(10) HB3 LYS 24 - HE ARG 46 OK 13 84 - 15 - 2106/2.9=2, 2115/2.9=2...(10) QE MET 1 - HE ARG 46 lone 9 100 - 9 - 2088/3.6=1, 2106/2.9=1...(5) HB2 GLU 37 - HE ARG 46 lone 6 100 - 6 - 2088/3.6=1 HB2 LYS 73 - HE ARG 46 lone 5 65 - 7 - HB3 LYS 73 - HE ARG 46 lone 5 61 - 7 - Peak 11042 from nnoeabs.peaks (1.81, 7.47, 84.20 ppm; 4.51 A): 6 out of 8 assignments used, quality = 0.93: HG2 ARG 46 + HE ARG 46 OK 65 65 - 100 - 3.6=100 HB2 LYS 90 + HE ARG 46 OK 58 99 - 59 - 3934=12, 1.8/3945=8...(16) HB3 LEU 57 + HE ARG 46 OK 19 70 - 28 - ~9358=6, ~9020=4...(8) HB2 LYS 39 + HE ARG 46 OK 17 94 - 18 - 2109/2.9=4, 2118/2.9=3...(6) HB2 GLU 88 + HE ARG 46 OK 16 100 - 16 - 3.0/3869=5, 4.3/7409=3 HB ILE 93 + HE ARG 46 OK 14 99 - 14 - 3.9/7480=4, 4129/3921=1...(4) HB2 LEU 42 - HE ARG 46 lone 8 100 - 8 - HB2 GLU 104 - HE ARG 46 lone 4 100 - 4 - Peak 11043 from nnoeabs.peaks (7.47, 7.47, 84.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 46 + HE ARG 46 OK 100 100 - 100 Peak 11044 from nnoeabs.peaks (1.89, 7.45, 83.22 ppm; 4.75 A): 2 out of 7 assignments used, quality = 1.00: HB2 ARG 19 + HE ARG 19 OK 99 100 - 99 - 4.8=98, 828/2.9=10...(16) HB2 LYS 20 + HE ARG 19 OK 60 99 - 61 - 810/3.6=10, 819/3.6=10...(14) HB VAL 54 - HE ARG 19 OK 28 94 - 29 - 2.1/11049=6, 810/3.6=5...(9) HB ILE 8 - HE ARG 19 OK 24 100 - 24 - 819/3.6=6, 810/3.6=5...(8) HB3 LEU 14 - HE ARG 19 lone 9 96 - 9 - 819/3.6=1, 810/3.6=1 HG LEU 42 - HE ARG 19 lone 7 100 - 6 - 810/3.6=1, 819/3.6=1 HB2 GLU 43 - HE ARG 19 lone 6 87 - 7 - 1.8/12312=2, 12311=1 Peak 11045 from nnoeabs.peaks (1.76, 7.45, 83.22 ppm; 5.06 A): 1 out of 6 assignments used, quality = 1.00: HG3 ARG 19 + HE ARG 19 OK 100 100 - 100 - 3.6=100 HB3 LYS 82 - HE ARG 19 OK 28 100 - 28 - 813/3.6=6, 794/4.8=5...(8) HB2 LYS 66 - HE ARG 19 OK 28 100 - 28 - 813/3.6=5, 804/4.8=5...(9) HB ILE 56 - HE ARG 19 OK 20 100 - 20 - 794/4.8=4, 813/3.6=4...(7) HB3 GLU 63 - HE ARG 19 lone 5 77 - 6 - HB VAL 78 - HE ARG 19 lone 4 70 - 6 - 10349/4.8=2, 9687/6.5=2 Peak 11046 from nnoeabs.peaks (1.60, 7.45, 83.22 ppm; 4.81 A): 4 out of 13 assignments used, quality = 0.95: HG2 ARG 19 + HE ARG 19 OK 84 84 - 100 - 3.6=100 HB3 LEU 29 + HE ARG 19 OK 54 100 - 54 - 3.1/11049=13...(12) HD2 LYS 66 + HE ARG 19 OK 17 100 - 17 - 2932/3.6=5, 3.6/11045=4...(4) HD3 LYS 94 + HE ARG 19 OK 14 100 - 14 - 4243/4.8=2, 3.5/11047=2...(5) HG3 LYS 90 - HE ARG 19 lone 8 81 - 9 - HG LEU 27 - HE ARG 19 lone 7 100 - 7 - 793/4.8=1, 803/4.8=1 HB2 LEU 103 - HE ARG 19 lone 6 84 - 7 - HG3 LYS 12 - HE ARG 19 lone 6 99 - 6 - HB2 ARG 30 - HE ARG 19 lone 5 99 - 6 - HG LEU 103 - HE ARG 19 lone 5 73 - 6 - HG3 LYS 73 - HE ARG 19 lone 3 100 - 3 - HG2 LYS 24 - HE ARG 19 lone 3 87 - 4 - HB2 ARG 79 - HE ARG 19 lone 3 100 - 3 - Peak 11047 from nnoeabs.peaks (1.94, 7.45, 83.22 ppm; 5.08 A): 2 out of 10 assignments used, quality = 0.99: HB3 ARG 19 + HE ARG 19 OK 98 98 - 100 - 4.8=100 HB3 LYS 20 + HE ARG 19 OK 65 100 - 65 - 3.0/11050=12, 820/3.6=11...(14) HB2 GLU 17 - HE ARG 19 OK 33 98 - 34 - 12027/3.6=11...(10) HB2 LYS 94 - HE ARG 19 OK 16 84 - 19 - 811/3.6=3, 820/3.6=3...(8) HB VAL 32 - HE ARG 19 lone 8 99 - 8 - 820/3.6=2, 811/3.6=1 HG3 GLU 88 - HE ARG 19 lone 7 96 - 7 - ~8525=2 HB3 LYS 47 - HE ARG 19 lone 6 90 - 7 - HB2 MET 1 - HE ARG 19 lone 5 98 - 5 - HB2 LYS 13 - HE ARG 19 lone 3 61 - 4 - HB2 LYS 33 - HE ARG 19 lone 2 65 - 3 - Peak 11048 from nnoeabs.peaks (0.81, 7.45, 83.22 ppm; 4.87 A): 4 out of 10 assignments used, quality = 0.74: QG2 ILE 15 + HE ARG 19 OK 44 100 - 44 - 10120/2.9=13...(8) QD1 ILE 76 + HE ARG 19 OK 32 96 - 33 - 8519/3.6=6, 10881/2.9=5...(9) QG2 ILE 7 + HE ARG 19 OK 20 92 - 22 - 8516/4.8=4, 8514/4.8=4...(7) QD2 LEU 57 + HE ARG 19 OK 13 84 - 16 - 8519/3.6=3, 8516/4.8=2...(8) QD2 LEU 70 - HE ARG 19 lone 9 100 - 9 - 8519/3.6=1, 8516/4.8=1 QD2 LEU 2 - HE ARG 19 lone 7 100 - 7 - 8516/4.8=1, 8519/3.6=1 QD1 LEU 70 - HE ARG 19 lone 6 97 - 6 - QD1 LEU 57 - HE ARG 19 lone 4 61 - 7 - 2.1/9343=2, ~8521=1 QD2 LEU 103 - HE ARG 19 lone 3 65 - 4 - QD2 LEU 38 - HE ARG 19 lone 2 81 - 2 - Peak 11049 from nnoeabs.peaks (0.64, 7.45, 83.22 ppm; 5.30 A): 3 out of 3 assignments used, quality = 0.95: QD2 LEU 29 + HE ARG 19 OK 81 100 - 81 - 8673/3.6=26, 8686/2.9=20...(14) QD1 LEU 29 + HE ARG 19 OK 62 84 - 74 - 8520/3.6=16, ~8686=14...(14) QG2 VAL 54 + HE ARG 19 OK 34 81 - 42 - 8520/3.6=8, 8515/4.8=7...(11) Peak 11050 from nnoeabs.peaks (4.04, 7.45, 83.22 ppm; 5.79 A): 4 out of 5 assignments used, quality = 0.94: HA LYS 20 + HE ARG 19 OK 78 94 - 84 - 8503/3.6=17, 798/4.8=17...(18) HA GLU 16 + HE ARG 19 OK 46 100 - 46 - 8503/3.6=9, 798/4.8=8...(8) HA GLU 17 + HE ARG 19 OK 43 92 - 47 - 798/4.8=11, 788/4.8=11...(11) HB3 SER 59 + HE ARG 19 OK 15 98 - 14 - 8503/3.6=3, 788/4.8=2...(5) HB2 SER 49 - HE ARG 19 lone 5 77 - 7 - 798/4.8=1, 788/4.8=1 Peak 11051 from nnoeabs.peaks (7.45, 7.45, 83.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 19 + HE ARG 19 OK 100 100 - 100 Peak 11052 from nnoeabs.peaks (3.09, 7.79, 84.20 ppm; 4.61 A): 1 out of 5 assignments used, quality = 0.98: * HD3 ARG 30 + HE ARG 30 OK 98 98 - 100 - 2.9=100 HD3 ARG 79 - HE ARG 30 OK 42 79 - 54 - 1363/2.9=9, 1345/4.0=8...(17) HD2 ARG 79 - HE ARG 30 OK 38 71 - 53 - 1363/2.9=8, 1345/4.0=7...(17) HB2 PHE 96 - HE ARG 30 OK 11 88 - 12 - 3.0/4322=3, 4.2/7580=2...(4) HB2 TRP 92 - HE ARG 30 lone 4 82 - 5 - Peak 11053 from nnoeabs.peaks (2.68, 7.79, 84.20 ppm; 4.50 A): 1 out of 3 assignments used, quality = 0.98: HD2 ARG 30 + HE ARG 30 OK 98 98 - 100 - 2.9=100 HB3 ASN 51 - HE ARG 30 OK 34 99 - 34 - 1371/2.9=6, 1344/4.0=6...(10) HD3 ARG 91 - HE ARG 30 OK 26 75 - 34 - 1371/2.9=5, 1344/4.0=5...(13) Peak 11054 from nnoeabs.peaks (6.84, 7.79, 84.20 ppm; 4.92 A): 5 out of 5 assignments used, quality = 0.88: HE2 TYR 41 + HE ARG 30 OK 46 92 - 50 - 8703/4.0=11, ~8709=11...(10) HE1 TYR 41 + HE ARG 30 OK 45 88 - 52 - ~8709=12, 8703/4.0=12...(10) HD1 TYR 41 + HE ARG 30 OK 37 71 - 52 - 8709/2.9=17, 8710/2.9=10...(10) HD2 TYR 41 + HE ARG 30 OK 28 60 - 46 - 8709/2.9=15, 8710/2.9=8...(9) HE21 GLN 72 + HE ARG 30 OK 13 94 - 13 - 8703/4.0=4, 8697/5.0=3...(5) Peak 11055 from nnoeabs.peaks (1.53, 7.79, 84.20 ppm; 5.05 A): 3 out of 10 assignments used, quality = 1.00: HG3 ARG 30 + HE ARG 30 OK 99 99 - 100 - 4.0=100 HG2 ARG 79 + HE ARG 30 OK 71 98 - 73 - 1361/2.9=9, 1370/2.9=9...(24) HG3 ARG 79 + HE ARG 30 OK 71 97 - 73 - 1361/2.9=9, 1370/2.9=9...(24) HG LEU 6 - HE ARG 30 OK 39 98 - 40 - ~8723=9, ~8722=9...(9) HB2 LEU 14 - HE ARG 30 OK 21 96 - 22 - ~8723=4, 3.1/10412=3...(8) HB ILE 7 - HE ARG 30 OK 13 96 - 14 - 6486/7.4=2, 1343/4.0=2...(7) HG12 ILE 56 - HE ARG 30 OK 12 99 - 11 - 1370/2.9=2, 1361/2.9=1...(6) HB3 LEU 103 - HE ARG 30 OK 10 97 - 10 - 1370/2.9=2, 1361/2.9=1...(5) HG LEU 2 - HE ARG 30 lone 5 79 - 7 - HG2 LYS 33 - HE ARG 30 lone 1 60 - 2 - Peak 11056 from nnoeabs.peaks (1.31, 7.79, 84.20 ppm; 5.08 A): 3 out of 3 assignments used, quality = 0.77: HG2 ARG 30 + HE ARG 30 OK 60 60 - 100 - 4.0=100 HB3 LEU 42 + HE ARG 30 OK 30 90 - 34 - ~8723=6, 1360/2.9=6...(8) HG LEU 3 + HE ARG 30 OK 18 79 - 22 - 5.0/11124=5, 1369/2.9=4...(7) Peak 11057 from nnoeabs.peaks (7.80, 7.79, 84.20 ppm; diagonal): 1 out of 1 assignment used, quality = 0.88: * HE ARG 30 + HE ARG 30 OK 88 88 - 100 Peak 11058 from nnoeabs.peaks (1.72, 5.83, 83.71 ppm; 4.71 A): 1 out of 12 assignments used, quality = 0.95: HD2 ARG 81 + HE ARG 81 OK 95 95 - 100 - 2.9=100 HB ILE 15 - HE ARG 81 OK 31 86 - 36 - 3634/2.9=6, 3607/4.0=5...(13) HD2 LYS 33 - HE ARG 81 OK 25 97 - 26 - 3634/2.9=4, 3616/4.0=4...(8) HD3 LYS 33 - HE ARG 81 OK 25 97 - 26 - 3634/2.9=4, 3616/4.0=4...(8) HB3 LEU 70 - HE ARG 81 OK 16 100 - 16 - 3607/4.0=3, 3616/4.0=2...(6) HG LEU 70 - HE ARG 81 lone 3 61 - 5 - ~3634=1, ~3161=1 HB2 LEU 2 - HE ARG 81 lone 1 73 - 2 - HD3 LYS 13 - HE ARG 81 lone 1 77 - 1 - HD2 LYS 12 - HE ARG 81 lone 1 69 - 1 - HD3 LYS 12 - HE ARG 81 lone 1 69 - 1 - HD3 LYS 66 - HE ARG 81 lone 1 73 - 1 - HD2 LYS 13 - HE ARG 81 lone 1 69 - 1 - Peak 11059 from nnoeabs.peaks (0.73, 5.83, 83.71 ppm; 5.42 A): 2 out of 9 assignments used, quality = 0.96: HG3 ARG 81 + HE ARG 81 OK 94 94 - 100 - 4.0=100 QG1 VAL 5 + HE ARG 81 OK 42 99 - 42 - ~3630=11, ~3621=10...(11) HG13 ILE 93 - HE ARG 81 OK 30 83 - 36 - 10018/5.0=12, 3633/2.9=5...(10) QD1 LEU 64 - HE ARG 81 OK 29 89 - 33 - 10248/7.0=8, 9483/6.3=7...(7) QD2 LEU 27 - HE ARG 81 OK 15 100 - 15 - 3633/2.9=2, 3624/2.9=2...(6) QG1 VAL 58 - HE ARG 81 OK 13 91 - 15 - ~10717=4, 3597/5.0=1...(8) QG1 VAL 78 - HE ARG 81 OK 11 77 - 15 - 3606/4.0=2, 3633/2.9=2...(7) QG2 VAL 78 - HE ARG 81 OK 11 94 - 11 - ~3633=2, ~3624=2...(5) HG13 ILE 56 - HE ARG 81 lone 1 73 - 2 - Peak 11060 from nnoeabs.peaks (0.44, 5.83, 83.71 ppm; 5.55 A): 2 out of 2 assignments used, quality = 0.98: HG2 ARG 81 + HE ARG 81 OK 94 94 - 100 - 4.0=100 QD1 LEU 55 + HE ARG 81 OK 71 100 - 71 - 9280/7.0=20, 9253/2.9=20...(7) Peak 11061 from nnoeabs.peaks (5.84, 5.83, 83.71 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HE ARG 81 + HE ARG 81 OK 99 99 - 100 Peak 11097 from nnoeabs.peaks (3.06, 8.15, 125.33 ppm; 4.24 A): 2 out of 7 assignments used, quality = 0.98: HB3 HIS 106 + H HIS 106 OK 90 90 - 100 - 4.0=100 * HB3 HIS 105 + H HIS 106 OK 85 100 - 85 - 4.7=76, 4552/3.6=36, 11095/2.9=4 HB3 ASN 60 - H HIS 106 lone 2 98 - 2 - HB3 ASN 26 - H HIS 106 lone 2 100 - 2 - HD2 ARG 79 - H HIS 106 lone 1 97 - 1 - HD3 ARG 79 - H HIS 106 lone 1 94 - 1 - HD3 ARG 30 - H HIS 106 lone 1 61 - 1 - Peak 11098 from nnoeabs.peaks (8.37, 8.47, 123.25 ppm; 4.41 A): 3 out of 4 assignments used, quality = 0.83: H TYR 4 + H LYS 53 OK 75 99 - 76 - 5.0/9182=22, 5.0/9181=17...(15) H ILE 93 + H LYS 53 OK 18 100 - 18 - 11100/4.7=5, 131/9182=3...(5) H GLU 95 + H LYS 53 OK 16 99 - 16 - 11100/4.7=3, 4.0/9180=3...(5) H GLU 63 - H LYS 53 lone 2 61 - 4 - 4.0/9180=2 Peak 11100 from nnoeabs.peaks (8.36, 8.49, 120.76 ppm; 4.73 A): 3 out of 3 assignments used, quality = 0.92: H TYR 4 + H VAL 54 OK 86 100 - 86 - 10203/3.0=24...(18) H ILE 93 + H VAL 54 OK 31 100 - 31 - 10203/3.0=8, 9293/4.6=7...(7) H GLU 95 + H VAL 54 OK 22 100 - 21 - 10203/3.0=5, 9227/4.0=4...(6) Peak 11101 from nnoeabs.peaks (5.20, 8.49, 120.76 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.50: HA VAL 78 + H VAL 54 OK 50 97 - 52 - 11103/3.9=20, 3477=14...(8) Peak 11106 from nnoeabs.peaks (8.91, 8.49, 120.76 ppm; 6.19 A): 3 out of 3 assignments used, quality = 0.87: H VAL 5 + H VAL 54 OK 60 90 - 67 - 4.6/11100=23...(11) H ASP 77 + H VAL 54 OK 48 65 - 74 - 3.9/9242=42, 3.9/9241=20...(6) H ARG 19 + H VAL 54 OK 39 97 - 40 - 8505/4.0=9, 6285/3.9=6...(10) Peak 11107 from nnoeabs.peaks (9.19, 9.31, 126.92 ppm; 5.17 A): 2 out of 2 assignments used, quality = 0.96: H ILE 56 + H LEU 6 OK 94 98 - 96 - 11108=34, 3.0/8216=30...(20) H THR 84 + H LEU 6 OK 37 98 - 38 - 8167/4.1=10, 9830/4.6=4...(12) Peak 11108 from nnoeabs.peaks (9.32, 9.19, 126.37 ppm; 4.78 A): 2 out of 2 assignments used, quality = 0.96: H LEU 6 + H ILE 56 OK 93 100 - 93 - 8216/3.0=28, 11107=27...(20) H LYS 33 + H ILE 56 OK 38 87 - 43 - 9311/4.0=8, 4.1/10667=7...(12) Peak 11112 from nnoeabs.peaks (8.55, 8.80, 128.92 ppm; 5.41 A): 4 out of 4 assignments used, quality = 0.94: H VAL 58 + H ILE 8 OK 91 97 - 93 - 3.0/8298=47, 4.0/8290=29...(15) H GLN 50 + H ILE 8 OK 22 100 - 22 - 2649/8298=4, 9104/4.0=3...(9) H ASN 51 + H ILE 8 OK 13 77 - 17 - 9107/4.0=3, 2649/8298=2...(8) H LYS 12 + H ILE 8 OK 11 84 - 14 - 3.6/6093=8, 6148/3.0=3 Peak 11114 from nnoeabs.peaks (4.57, 8.48, 122.32 ppm; 4.94 A): 0 out of 2 assignments used, low quality = 0.20: HA ASP 77 - H VAL 32 OK 20 99 - 20 - 3.0/9679=6, 3.0/9680=4...(5) HA THR 84 - H VAL 32 lone 2 81 - 2 - Peak 11116 from nnoeabs.peaks (7.75, 8.49, 120.76 ppm; 6.45 A): 3 out of 3 assignments used, quality = 0.95: H VAL 78 + H VAL 54 OK 92 100 - 92 - 3.0/11101=50...(11) H MET 74 + H VAL 54 OK 25 94 - 26 - 11105/3.9=6...(8) H GLU 37 + H VAL 54 OK 15 81 - 18 - 11105/3.9=6...(4) Peak 11118 from nnoeabs.peaks (4.66, 8.50, 125.64 ppm; 3.78 A): 2 out of 2 assignments used, quality = 0.67: HA LEU 55 + H ARG 79 OK 47 84 - 57 - 11117=18, 3.6/9697=15...(12) HA LEU 27 + H ARG 79 OK 37 99 - 37 - 12329/4.1=11...(10) Peak 11119 from nnoeabs.peaks (9.20, 8.42, 118.08 ppm; 5.45 A): 2 out of 2 assignments used, quality = 0.78: H ILE 56 + H THR 80 OK 55 73 - 75 - 9701/2.9=25...(10) H THR 84 + H THR 80 OK 52 99 - 52 - 10914/4.0=15...(7) Peak 11122 from nnoeabs.peaks (5.40, 8.76, 122.84 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.68: HA LEU 57 + H ARG 81 OK 68 96 - 71 - 9334=25, 3.6/10712=19...(12) Peak 11124 from nnoeabs.peaks (7.79, 7.84, 122.56 ppm; 2.85 A): 0 out of 6 assignments used, low quality = 0.15: H GLU 28 - H LEU 3 OK 15 99 - 15 - 3.6/8088=5, 6456/4.0=2...(6) H GLU 99 - H LEU 3 lone 7 100 - 7 - 10084/4.7=6 HE ARG 30 - H LEU 3 lone 5 99 - 5 - 4.0/6027=2 H LYS 66 - H LEU 3 lone 4 94 - 4 - H SER 9 - H LEU 3 lone 2 65 - 3 - H LYS 20 - H LEU 3 lone 1 100 - 1 - Peak 11125 from nnoeabs.peaks (8.49, 8.53, 118.16 ppm; 3.37 A): 0 out of 6 assignments used, low quality = 0.00: H THR 31 - H ASN 51 lone 7 98 - 7 - 3.9/9110=3, 6497/4.0=3 H VAL 32 - H ASN 51 lone 6 92 - 7 - 4.7/9110=3, 3.0/6828=2 H VAL 54 - H ASN 51 lone 4 100 - 4 - H ALA 67 - H ASN 51 lone 3 92 - 3 - 3.0/9108=1 H ARG 79 - H ASN 51 lone 1 94 - 2 - H LEU 2 - H ASN 51 lone 0 61 - 1 - Peak 11127 from nnoeabs.peaks (8.65, 8.76, 122.84 ppm; 4.28 A): 2 out of 3 assignments used, quality = 0.45: H LEU 55 + H ARG 81 OK 37 81 - 46 - 4.7/9298=20, 4.8/9280=20...(6) H ALA 18 + H ARG 81 OK 13 99 - 13 - 6262/4.4=8, 10378/9735=1 H ASN 10 - H ARG 81 lone 4 94 - 4 - 2537/9280=2 Peak 12269 from nnoeabs.peaks (3.00, 7.55, 122.27 ppm; 4.23 A): 4 out of 4 assignments used, quality = 0.92: HB3 ASP 11 + H LEU 14 OK 76 99 - 76 - 4.0/8394=18, 8379=16...(14) HB2 SER 9 + H LEU 14 OK 42 97 - 44 - 8324/4.8=7, 8410/4.9=6...(16) HE2 LYS 12 + H LEU 14 OK 32 94 - 34 - 7.3/6185=7, 6171/4.6=6...(8) HB2 PHE 45 + H LEU 14 OK 19 77 - 24 - 4.5/6204=5, 8461/4.6=3...(8) Peak 12276 from nnoeabs.peaks (0.75, 7.84, 122.56 ppm; 4.51 A): 8 out of 11 assignments used, quality = 0.90: QD1 LEU 27 + H LEU 3 OK 41 65 - 63 - 4.0/8088=16...(12) QG2 ILE 93 + H LEU 3 OK 31 100 - 31 - 4.0/6030=6, 4138/4.6=6...(9) HG13 ILE 15 + H LEU 3 OK 29 99 - 29 - 10118/5.0=6, 3.2/6022=3...(10) HG13 ILE 93 + H LEU 3 OK 26 97 - 27 - 4.6/6030=5, 4154/4.6=5...(8) QD1 ILE 15 + H LEU 3 OK 24 94 - 25 - 3.0/6022=3, 8467/4.0=3...(9) QG1 VAL 54 + H LEU 3 OK 21 90 - 24 - 12127/3.0=5, ~12128=4...(7) QG1 VAL 78 + H LEU 3 OK 14 99 - 14 - 4.3/6017=4, 8109/5.0=2...(7) QD2 LEU 42 + H LEU 3 OK 12 73 - 16 - 3.1/6027=6, ~96=3...(4) QD1 ILE 93 - H LEU 3 poor 10 61 - 16 - 5.0/6030=5, 4162/4.6=2...(4) QD1 LEU 64 - H LEU 3 lone 9 94 - 10 - HG3 ARG 81 - H LEU 3 lone 7 90 - 8 - 8110/4.7=1, 8109/5.0=1 Peak 12286 from nnoeabs.peaks (2.12, 7.80, 119.34 ppm; 4.20 A): 5 out of 11 assignments used, quality = 0.95: HB2 LEU 64 + H LYS 66 OK 73 97 - 76 - 3.0/7063=24, 4.6/7064=18...(17) HB2 PRO 86 + H LYS 66 OK 41 100 - 41 - 3815/3.0=7, 2.3/7068=7...(18) HB2 GLU 69 + H LYS 66 OK 35 97 - 37 - 3094/3.0=9, 4.0/7064=6...(8) HB3 GLU 69 + H LYS 66 OK 35 97 - 37 - 3094/3.0=9, 4.0/7064=6...(8) HB3 PRO 86 + H LYS 66 OK 29 77 - 38 - 2.3/7068=7, ~3815=5...(14) HG2 GLU 69 - H LYS 66 OK 25 97 - 26 - 5.1/7064=5, 2882/3.0=4...(8) HB VAL 83 - H LYS 66 OK 14 97 - 14 - ~9823=3, 7049/4.6=2...(4) HG3 GLU 37 - H LYS 66 OK 10 92 - 11 - 1.8/12287=4 HB3 GLU 37 - H LYS 66 lone 10 98 - 10 - 3.0/12287=3 HG2 GLU 44 - H LYS 66 lone 4 77 - 5 - HB2 GLU 75 - H LYS 66 lone 1 73 - 2 - Peak 12287 from nnoeabs.peaks (2.26, 7.80, 119.34 ppm; 5.00 A): 2 out of 6 assignments used, quality = 0.45: HG2 GLU 62 + H LYS 66 OK 26 99 - 26 - 4.0/7060=20, 12290/6.1=6 HG3 GLU 62 + H LYS 66 OK 26 99 - 26 - 4.0/7060=20, 12290/6.1=6 HG2 GLU 37 - H LYS 66 lone 10 100 - 10 - 12290/6.1=2, 1.8/12286=2 HG2 GLU 17 - H LYS 66 lone 5 77 - 6 - 3.9/732=2 HG2 GLU 23 - H LYS 66 lone 4 90 - 5 - 12290/6.1=2 HG2 GLU 95 - H LYS 66 lone 4 87 - 5 - 12290/6.1=2 Peak 12294 from nnoeabs.peaks (4.33, 7.71, 119.26 ppm; 4.26 A): 0 out of 2 assignments used, low quality = 0.19: HA ASP 65 - H ALA 25 OK 19 84 - 22 - 3.0/7047=9, 3.6/7062=7...(4) HA GLU 28 - H ALA 25 lone 3 73 - 5 - ~6450=2 Peak 12303 from nnoeabs.peaks (2.01, 8.19, 117.17 ppm; 3.45 A): 5 out of 9 assignments used, quality = 0.93: QE MET 74 + H GLU 43 OK 59 99 - 60 - 9585=20, 9589/4.6=8...(14) HB2 GLU 35 + H GLU 43 OK 54 100 - 54 - 1540=11, 1.8/1547=10...(20) HB3 GLU 44 + H GLU 43 OK 34 98 - 35 - 3.9/6697=15, 3.0/6684=8...(8) HB2 GLU 44 + H GLU 43 OK 34 98 - 35 - 3.9/6697=15, 3.0/6684=8...(8) HB3 LYS 94 + H GLU 43 OK 20 73 - 27 - 4.0/6698=5, 4196/2.9=4...(8) HB3 GLU 17 - H GLU 43 lone 10 100 - 10 - 8916/4.6=2, 12028/4.6=1, 1540=1 HB3 MET 1 - H GLU 43 lone 10 99 - 10 - 3.0/6695=1, 10339/4.6=1 HB2 GLU 62 - H GLU 43 lone 3 94 - 3 - HB2 GLN 50 - H GLU 43 lone 2 70 - 3 - Peak 12304 from nnoeabs.peaks (1.85, 7.44, 111.53 ppm; 6.04 A): 2 out of 8 assignments used, quality = 0.79: HB2 LYS 68 + HE22 GLN 72 OK 77 94 - 82 - 9557/6.6=16, ~12167=14...(14) HB3 LYS 90 + HE22 GLN 72 OK 10 84 - 12 - 9557/6.6=2, 12164/3.5=2 HB3 LYS 66 - HE22 GLN 72 poor 9 81 - 11 - 9557/6.6=4, 10793/10803=3 HB3 LYS 39 - HE22 GLN 72 lone 8 77 - 10 - 9557/6.6=2, 3.6/9575=2...(4) HB VAL 5 - HE22 GLN 72 lone 7 81 - 8 - ~9566=3, 9557/6.6=2, ~9569=1 HB2 LYS 12 - HE22 GLN 72 lone 6 70 - 8 - ~12167=2, ~9563=2, ~12166=1 HB2 LYS 53 - HE22 GLN 72 lone 6 98 - 6 - 9557/6.6=1 HB3 LYS 12 - HE22 GLN 72 lone 4 61 - 7 - ~12167=2, ~12166=1 Peak 12339 from nnoeabs.peaks (4.43, 7.47, 116.94 ppm; 5.02 A): 4 out of 5 assignments used, quality = 0.70: HA GLU 48 + H LYS 47 OK 53 99 - 53 - 3.0/6780=30, 3.0/9030=12...(4) HA SER 9 + H LYS 47 OK 16 100 - 16 - 3.0/6758=7, 6790/4.6=3 HA ILE 76 + H LYS 47 OK 14 99 - 14 - 6790/4.6=5, 9014/6766=3, ~9650=2 HA ALA 25 + H LYS 47 OK 11 61 - 17 - 3.6/6418=6, ~6396=5, 6790/4.6=2 HB THR 84 - H LYS 47 lone 2 96 - 2 - Peak 2 from cnoeabs.peaks (4.16, 4.16, 54.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 1 + HA MET 1 OK 100 100 - 100 Peak 3 from cnoeabs.peaks (1.94, 4.16, 54.51 ppm; 3.63 A): 2 out of 11 assignments used, quality = 1.00: * HB2 MET 1 + HA MET 1 OK 100 100 - 100 - 3.0=100 HB2 GLU 17 + HA MET 1 OK 51 100 - 52 - 1.8/4=8, 739/3.0=8...(20) HB3 LYS 47 - HA MET 1 OK 21 70 - 31 - 1.8/7=6, ~21=3, ~14=3...(13) HB3 LYS 73 - HA MET 1 OK 21 77 - 27 - 1.8/7=3, 17/3.0=2...(13) HB2 LYS 73 - HA MET 1 OK 16 73 - 22 - 4.1/7197=2, 2.9/8008=2...(11) HB3 LYS 20 - HA MET 1 OK 15 97 - 15 - 4.6/8001=2, 17/3.0=1...(5) HB3 ARG 46 - HA MET 1 poor 8 65 - 11 - 1.8/7=3, ~21=2, ~14=1 HB3 ARG 19 - HA MET 1 lone 5 87 - 6 - HB VAL 32 - HA MET 1 lone 4 100 - 4 - HG3 GLU 88 - HA MET 1 lone 4 100 - 4 - HB2 LYS 94 - HA MET 1 lone 3 61 - 5 - 2.9/8009=1 Peak 4 from cnoeabs.peaks (2.00, 4.16, 54.51 ppm; 3.47 A): 2 out of 7 assignments used, quality = 1.00: * HB3 MET 1 + HA MET 1 OK 100 100 - 100 - 3.0=100 HB3 GLU 17 + HA MET 1 OK 48 99 - 49 - 11/3.0=7, 1.8/3=7...(19) HB2 GLU 35 - HA MET 1 OK 28 99 - 28 - 1.8/695=4, 2.9/5=4...(11) QE MET 74 - HA MET 1 OK 18 100 - 18 - 6005/3.6=3, 3.4/9612=2...(8) HB3 GLU 44 - HA MET 1 OK 10 100 - 10 - 11/3.0=1, 32/4.2=1, 25/4.2=1 HB2 GLU 44 - HA MET 1 OK 10 100 - 10 - 11/3.0=1, 32/4.2=1, 25/4.2=1 HB2 GLU 62 - HA MET 1 lone 2 84 - 3 - Peak 5 from cnoeabs.peaks (2.20, 4.16, 54.51 ppm; 3.97 A): 2 out of 9 assignments used, quality = 0.95: * HG2 MET 1 + HA MET 1 OK 93 100 - 93 - 4.2=87, 3.3/7=12...(9) HG3 GLU 35 + HA MET 1 OK 36 100 - 36 - 19/3.0=6, 12/3.0=5...(13) HG2 GLU 35 - HA MET 1 OK 36 100 - 36 - 19/3.0=6, 12/3.0=5...(13) HG3 PRO 86 - HA MET 1 OK 14 100 - 15 - 19/3.0=3, 12/3.0=3...(6) HB3 GLU 75 - HA MET 1 OK 11 94 - 12 - 4.0/9618=3, 2.9/9619=2...(4) HB2 GLU 63 - HA MET 1 lone 7 100 - 7 - 19/3.0=1, 12/3.0=1, 6006/3.6=1 HG2 GLU 43 - HA MET 1 lone 6 92 - 7 - 6006/3.6=2 HB2 GLU 95 - HA MET 1 lone 6 98 - 6 - HG2 GLU 98 - HA MET 1 lone 1 70 - 1 - Peak 6 from cnoeabs.peaks (2.42, 4.16, 54.51 ppm; 4.41 A): 2 out of 9 assignments used, quality = 1.00: * HG3 MET 1 + HA MET 1 OK 100 100 - 100 - 4.2=100 HG3 GLU 17 + HA MET 1 OK 52 90 - 59 - 20/3.0=9, 3.0/4=9...(14) HG2 GLN 72 - HA MET 1 OK 39 98 - 40 - 3210=5, 20/3.0=5...(12) HG3 GLN 50 - HA MET 1 OK 11 84 - 13 - 6007/3.6=2, 20/3.0=2...(4) HG3 GLU 48 - HA MET 1 OK 10 90 - 11 - 6007/3.6=2, 20/3.0=1...(4) HG3 MET 21 - HA MET 1 poor 10 65 - 15 - 1.8/8005=5, 5.1/8001=3 HB3 MET 21 - HA MET 1 poor 9 61 - 15 - 4.0/8001=4, 3.0/8005=4 HG2 GLN 50 - HA MET 1 lone 6 65 - 9 - 1.8/3210=1, ~20=1 HB2 ASP 11 - HA MET 1 lone 4 81 - 5 - Peak 7 from cnoeabs.peaks (1.98, 4.16, 54.51 ppm; 3.43 A): 7 out of 9 assignments used, quality = 0.90: * QE MET 1 + HA MET 1 OK 70 100 - 70 - 5.3=27, 39/3.0=19...(12) HB2 LYS 47 + HA MET 1 OK 30 96 - 32 - 21/3.0=5, 14/3.0=5...(11) HB3 MET 74 + HA MET 1 OK 19 81 - 23 - 21/3.0=4, 14/3.0=3...(13) HB2 LYS 73 + HA MET 1 OK 15 61 - 24 - 1.8/3=3, 21/3.0=3...(13) HB2 ARG 46 + HA MET 1 OK 14 100 - 14 - 21/3.0=3, 14/3.0=3...(6) HB3 LYS 24 + HA MET 1 OK 10 81 - 12 - 14/3.0=1, 21/3.0=1...(4) HB2 LYS 24 + HA MET 1 OK 10 81 - 12 - 14/3.0=1, 21/3.0=1...(4) HB3 ARG 46 - HA MET 1 lone 6 70 - 9 - ~21=1, ~14=1, 21/3.0=1, 14/3.0=1 HB2 GLU 37 - HA MET 1 lone 6 100 - 5 - Peak 8 from cnoeabs.peaks (8.51, 4.16, 54.51 ppm; 3.45 A): 1 out of 4 assignments used, quality = 0.94: * H LEU 2 + HA MET 1 OK 94 100 - 94 - 3.6=90, 3.0/8002=14...(10) H ARG 79 - HA MET 1 OK 14 92 - 15 - 29/4.2=3, 36/4.2=3...(5) H THR 31 - HA MET 1 OK 10 84 - 12 - 29/4.2=2, 36/4.2=2...(5) H VAL 54 - HA MET 1 lone 4 61 - 7 - 29/4.2=1, 22/3.0=1 Peak 9 from cnoeabs.peaks (4.16, 1.94, 32.61 ppm; 3.03 A): 1 out of 14 assignments used, quality = 1.00: * HA MET 1 + HB2 MET 1 OK 100 100 - 100 - 3.0=100 HA GLN 72 - HB2 MET 1 OK 22 100 - 22 - 16/1.8=4, 30/3.0=3...(8) HA LYS 47 - HB2 MET 1 OK 18 81 - 23 - 3.0/14=4, 16/1.8=3...(8) HA LYS 73 - HB2 MET 1 OK 16 81 - 20 - 16/1.8=4, 3.0/14=2...(7) HA LYS 13 - HB2 MET 1 lone 5 100 - 5 - 16/1.8=1 HA MET 1 - HB3 LYS 20 poor 4 40 - 10 - 3=2, 8001/4.6=2 HA GLU 23 - HB3 LYS 20 poor 4 31 - 13 - ~855=3, ~6358=2, ~1027=1...(7) HA GLU 23 - HB2 MET 1 lone 4 90 - 4 - HB2 SER 59 - HB2 MET 1 lone 3 100 - 3 - HA LYS 47 - HB3 LYS 20 lone 2 27 - 8 - HB2 SER 59 - HB3 LYS 20 lone 1 40 - 3 - HA GLN 72 - HB3 LYS 20 lone 1 39 - 2 - HA LYS 73 - HB3 LYS 20 lone 1 27 - 2 - HA LYS 13 - HB3 LYS 20 lone 1 39 - 1 - Peak 10 from cnoeabs.peaks (1.94, 1.94, 32.61 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 MET 1 + HB2 MET 1 OK 100 100 - 100 HB3 LYS 20 - HB3 LYS 20 OK 36 36 - 100 Peak 11 from cnoeabs.peaks (2.00, 1.94, 32.61 ppm; 2.40 A): 1 out of 14 assignments used, quality = 1.00: * HB3 MET 1 + HB2 MET 1 OK 100 100 - 100 - 1.8=100 HB3 GLU 17 - HB2 MET 1 OK 37 99 - 38 - 746=7, 25/3.0=3...(19) HB2 GLU 35 - HB2 MET 1 OK 17 99 - 18 - 746=2, 2.9/12=2...(7) HB3 GLU 17 - HB3 LYS 20 OK 10 39 - 27 - 746=5, 2.9/727=2...(12) HB2 GLU 44 - HB2 MET 1 lone 7 100 - 6 - HB3 GLU 44 - HB2 MET 1 lone 7 100 - 6 - QE MET 74 - HB2 MET 1 lone 6 100 - 6 - HB3 MET 1 - HB3 LYS 20 lone 3 40 - 7 - 17=2 HB2 GLU 62 - HB2 MET 1 lone 1 84 - 1 - HB2 GLU 35 - HB3 LYS 20 lone 1 38 - 2 - QE MET 74 - HB3 LYS 20 lone 1 40 - 2 - HB2 GLU 44 - HB3 LYS 20 lone 0 40 - 1 - HB3 GLU 44 - HB3 LYS 20 lone 0 40 - 1 - HB2 GLU 62 - HB3 LYS 20 lone 0 28 - 0 - Peak 12 from cnoeabs.peaks (2.20, 1.94, 32.61 ppm; 3.36 A): 1 out of 18 assignments used, quality = 1.00: * HG2 MET 1 + HB2 MET 1 OK 100 100 - 100 - 3.0=100 HG3 GLU 35 - HB2 MET 1 OK 34 100 - 35 - 19/1.8=6, 33/3.0=4...(15) HG2 GLU 35 - HB2 MET 1 OK 34 100 - 35 - 19/1.8=6, 33/3.0=4...(15) HG3 PRO 86 - HB2 MET 1 OK 18 100 - 18 - ~12333=3, 19/1.8=3...(10) HB2 GLU 63 - HB2 MET 1 lone 7 100 - 7 - 19/1.8=1 HG2 MET 1 - HB3 LYS 20 poor 6 40 - 14 - 24=3, 1.8/31=2, 3.3/38=2...(5) HB3 GLU 75 - HB2 MET 1 lone 5 94 - 6 - 19/1.8=1, 5/3.0=1 HB2 GLU 95 - HB2 MET 1 lone 5 98 - 5 - HG2 GLU 43 - HB2 MET 1 lone 5 92 - 5 - HG2 GLU 43 - HB3 LYS 20 lone 2 33 - 6 - HG3 GLU 35 - HB3 LYS 20 lone 1 40 - 4 - HG2 GLU 35 - HB3 LYS 20 lone 1 40 - 4 - HG3 PRO 86 - HB3 LYS 20 lone 1 39 - 3 - HG2 GLU 98 - HB2 MET 1 lone 1 70 - 1 - HB2 GLU 63 - HB3 LYS 20 lone 1 40 - 2 - HB2 GLU 95 - HB3 LYS 20 lone 1 37 - 2 - HB3 GLU 75 - HB3 LYS 20 lone 0 34 - 1 - HG2 GLU 98 - HB3 LYS 20 lone 0 22 - 1 - Peak 13 from cnoeabs.peaks (2.42, 1.94, 32.61 ppm; 3.70 A): 2 out of 18 assignments used, quality = 1.00: * HG3 MET 1 + HB2 MET 1 OK 100 100 - 100 - 3.0=100 HG3 GLU 17 + HB2 MET 1 OK 57 90 - 64 - 20/1.8=9, 1.8/753=9...(24) HG2 GLN 72 - HB2 MET 1 OK 32 98 - 33 - 20/1.8=5, 6/3.0=4...(14) HG3 GLU 17 - HB3 LYS 20 OK 11 31 - 35 - 1.8/753=5, 3.9/727=4...(13) HG3 GLN 50 - HB2 MET 1 poor 9 84 - 10 - 20/1.8=2, 6/3.0=1, 27/3.0=1 HG3 GLU 48 - HB2 MET 1 lone 8 90 - 9 - 20/1.8=1, 6007/4.6=1 HG3 MET 1 - HB3 LYS 20 poor 7 40 - 18 - 31=3, 1.8/24=2, 3.3/38=2...(6) HG3 MET 21 - HB2 MET 1 lone 6 65 - 9 - ~8005=2 HB3 MET 21 - HB2 MET 1 lone 5 61 - 9 - ~8005=1, 4.0/6325=1 HG2 GLN 50 - HB2 MET 1 lone 5 65 - 8 - ~20=1 HB2 ASP 11 - HB2 MET 1 lone 3 81 - 3 - HB3 MET 21 - HB3 LYS 20 poor 3 19 - 13 - 4.0/6325=8, ~8564=2, ~12042=1 HG3 MET 21 - HB3 LYS 20 poor 2 21 - 11 - 5.1/6325=5, ~12042=1 HG3 GLU 48 - HB3 LYS 20 lone 2 31 - 5 - HG2 GLN 72 - HB3 LYS 20 lone 1 37 - 3 - HB2 ASP 11 - HB3 LYS 20 lone 1 27 - 2 - HG2 GLN 50 - HB3 LYS 20 lone 0 21 - 2 - 6336/4.6=1 HG3 GLN 50 - HB3 LYS 20 lone 0 28 - 1 - Peak 14 from cnoeabs.peaks (1.98, 1.94, 32.61 ppm; 2.40 A): 2 out of 18 assignments used, quality = 0.61: * QE MET 1 + HB2 MET 1 OK 53 100 - 53 - 38=26, 39/1.8=16...(9) HB2 LYS 47 + HB2 MET 1 OK 18 96 - 19 - 21/1.8=4, 35/3.0=2...(6) HB3 MET 74 - HB2 MET 1 poor 9 81 - 11 - 21/1.8=3, ~3340=1, 7/3.0=1 HB2 ARG 46 - HB2 MET 1 lone 9 100 - 8 - 21/1.8=2, 28/3.0=1, 35/3.0=1 HB2 LYS 73 - HB2 MET 1 poor 8 61 - 13 - 21/1.8=2, 3.0/9=1 HB2 LYS 24 - HB2 MET 1 lone 4 81 - 5 - 21/1.8=1 HB3 LYS 24 - HB2 MET 1 lone 4 81 - 5 - 21/1.8=1 HB3 ARG 46 - HB2 MET 1 lone 4 70 - 6 - ~21=1, 21/1.8=1 HB2 GLU 37 - HB2 MET 1 lone 3 100 - 3 - QE MET 1 - HB3 LYS 20 lone 3 40 - 7 - 38=3 HB2 LYS 47 - HB3 LYS 20 lone 2 35 - 7 - HB2 GLU 37 - HB3 LYS 20 lone 1 40 - 2 - HB2 ARG 46 - HB3 LYS 20 lone 0 40 - 1 - HB2 LYS 73 - HB3 LYS 20 lone 0 19 - 2 - HB3 LYS 24 - HB3 LYS 20 lone 0 27 - 1 - HB2 LYS 24 - HB3 LYS 20 lone 0 27 - 1 - HB3 ARG 46 - HB3 LYS 20 lone 0 22 - 1 - HB3 MET 74 - HB3 LYS 20 lone 0 27 - 0 - Peak 15 from cnoeabs.peaks (8.51, 1.94, 32.61 ppm; 5.38 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 2 + HB2 MET 1 OK 100 100 - 100 - 4.6=100 H ARG 79 - HB2 MET 1 OK 30 92 - 32 - 29/3.0=8, 36/3.0=8...(5) H THR 31 - HB2 MET 1 OK 23 84 - 28 - 29/3.0=6, 36/3.0=6...(7) H VAL 54 - HB2 MET 1 poor 9 61 - 15 - 22/1.8=3, 29/3.0=3...(5) H LEU 2 - HB3 LYS 20 poor 5 40 - 11 - 3.6/3=3, 6004=2, 4.6/17=1 H VAL 54 - HB3 LYS 20 poor 2 19 - 12 - ~2483=3, 6896/1.8=2...(4) H THR 31 - HB3 LYS 20 lone 2 28 - 7 - 4.6/6509=3, 3.9/8728=2 H ARG 79 - HB3 LYS 20 lone 1 33 - 4 - Peak 16 from cnoeabs.peaks (4.16, 2.00, 32.61 ppm; 3.49 A): 1 out of 7 assignments used, quality = 1.00: * HA MET 1 + HB3 MET 1 OK 100 100 - 100 - 3.0=100 HA GLN 72 - HB3 MET 1 OK 29 100 - 29 - 9/1.8=5, 30/3.0=4...(12) HA LYS 73 - HB3 MET 1 OK 25 81 - 31 - 9/1.8=4, 3.6/7230=4...(11) HA LYS 47 - HB3 MET 1 OK 24 81 - 31 - 3.0/21=5, 9/1.8=4...(10) HA LYS 13 - HB3 MET 1 lone 8 100 - 8 - 9/1.8=1 HA GLU 23 - HB3 MET 1 lone 5 90 - 6 - HB2 SER 59 - HB3 MET 1 lone 5 100 - 5 - Peak 17 from cnoeabs.peaks (1.94, 2.00, 32.61 ppm; 2.40 A): 1 out of 11 assignments used, quality = 1.00: * HB2 MET 1 + HB3 MET 1 OK 100 100 - 100 - 1.8=100 HB2 GLU 17 - HB3 MET 1 OK 39 100 - 40 - 739=8, 31/3.0=3...(18) HB3 LYS 47 - HB3 MET 1 OK 12 70 - 18 - 1.8/21=4, ~14=2...(5) HB3 LYS 73 - HB3 MET 1 OK 12 77 - 15 - 1.8/21=2, 3.0/16=2...(4) HB2 LYS 73 - HB3 MET 1 poor 8 73 - 11 - 3.0/16=2, 4.6/7230=1 HB3 LYS 20 - HB3 MET 1 lone 6 97 - 6 - HB3 ARG 46 - HB3 MET 1 lone 4 65 - 7 - 1.8/21=2 HB3 ARG 19 - HB3 MET 1 lone 2 87 - 2 - HB VAL 32 - HB3 MET 1 lone 2 100 - 2 - HG3 GLU 88 - HB3 MET 1 lone 1 100 - 1 - HB2 LYS 94 - HB3 MET 1 lone 1 61 - 1 - Peak 18 from cnoeabs.peaks (2.00, 2.00, 32.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 1 + HB3 MET 1 OK 100 100 - 100 Peak 19 from cnoeabs.peaks (2.20, 2.00, 32.61 ppm; 3.41 A): 1 out of 9 assignments used, quality = 1.00: * HG2 MET 1 + HB3 MET 1 OK 100 100 - 100 - 3.0=100 HG3 GLU 35 - HB3 MET 1 OK 39 100 - 39 - 12/1.8=6, 33/3.0=4...(17) HG2 GLU 35 - HB3 MET 1 OK 39 100 - 39 - 12/1.8=6, 33/3.0=4...(17) HG3 PRO 86 - HB3 MET 1 OK 19 100 - 19 - ~12333=3, 12/1.8=3...(9) HB2 GLU 63 - HB3 MET 1 lone 8 100 - 8 - 12/1.8=1 HB3 GLU 75 - HB3 MET 1 lone 8 94 - 8 - 4.0/7239=2, 5/3.0=1 HG2 GLU 43 - HB3 MET 1 lone 6 92 - 7 - HB2 GLU 95 - HB3 MET 1 lone 6 98 - 6 - HG2 GLU 98 - HB3 MET 1 lone 1 70 - 1 - Peak 20 from cnoeabs.peaks (2.42, 2.00, 32.61 ppm; 3.64 A): 2 out of 9 assignments used, quality = 1.00: * HG3 MET 1 + HB3 MET 1 OK 100 100 - 100 - 3.0=100 HG3 GLU 17 + HB3 MET 1 OK 56 90 - 63 - 1.8/754=9, 3.0/739=8...(24) HG2 GLN 72 - HB3 MET 1 OK 29 98 - 30 - 13/1.8=4, 6/3.0=3...(13) HG3 GLN 50 - HB3 MET 1 poor 9 84 - 10 - 13/1.8=1, 6/3.0=1 HG3 GLU 48 - HB3 MET 1 lone 8 90 - 9 - 13/1.8=1 HG3 MET 21 - HB3 MET 1 lone 6 65 - 9 - ~8005=2 HG2 GLN 50 - HB3 MET 1 lone 5 65 - 7 - HB3 MET 21 - HB3 MET 1 lone 5 61 - 8 - ~8005=1 HB2 ASP 11 - HB3 MET 1 lone 3 81 - 3 - Peak 21 from cnoeabs.peaks (1.98, 2.00, 32.61 ppm; 2.40 A): 3 out of 9 assignments used, quality = 0.66: * QE MET 1 + HB3 MET 1 OK 53 100 - 53 - 39=26, 38/1.8=15...(8) HB2 LYS 47 + HB3 MET 1 OK 17 96 - 19 - 14/1.8=4, 35/3.0=2...(6) HB3 MET 74 + HB3 MET 1 OK 13 81 - 16 - 3348=3, 14/1.8=2...(8) HB2 LYS 73 - HB3 MET 1 poor 9 61 - 15 - 14/1.8=2, 1.8/17=2...(4) HB2 ARG 46 - HB3 MET 1 lone 9 100 - 9 - 14/1.8=2, 28/3.0=1, 35/3.0=1 HB3 LYS 24 - HB3 MET 1 lone 4 81 - 5 - 14/1.8=1 HB2 LYS 24 - HB3 MET 1 lone 4 81 - 5 - 14/1.8=1 HB3 ARG 46 - HB3 MET 1 lone 4 70 - 6 - 14/1.8=1 HB2 GLU 37 - HB3 MET 1 lone 3 100 - 3 - Peak 22 from cnoeabs.peaks (8.51, 2.00, 32.61 ppm; 5.44 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 2 + HB3 MET 1 OK 100 100 - 100 - 4.6=100 H ARG 79 - HB3 MET 1 OK 31 92 - 33 - 29/3.0=8, 36/3.0=8...(5) H THR 31 - HB3 MET 1 OK 23 84 - 27 - 29/3.0=6, 36/3.0=6...(5) H VAL 54 - HB3 MET 1 OK 14 61 - 23 - 4.7/9185=10, 29/3.0=3...(6) Peak 23 from cnoeabs.peaks (4.16, 2.20, 30.51 ppm; 4.37 A): 1 out of 7 assignments used, quality = 1.00: * HA MET 1 + HG2 MET 1 OK 100 100 - 100 - 4.2=100 HA GLN 72 - HG2 MET 1 OK 37 100 - 37 - 30/1.8=7, 16/3.0=6...(10) HA LYS 47 - HG2 MET 1 OK 33 81 - 41 - 3.0/28=6, 30/1.8=6...(13) HA LYS 73 - HG2 MET 1 OK 28 81 - 35 - 16/3.0=5, 30/1.8=5...(13) HA LYS 13 - HG2 MET 1 lone 9 100 - 8 - 16/3.0=2, 30/1.8=2...(4) HB2 SER 59 - HG2 MET 1 lone 8 100 - 7 - 4.0/9401=1, 30/1.8=1...(4) HA GLU 23 - HG2 MET 1 lone 6 90 - 7 - 30/1.8=1, 16/3.0=1 Peak 24 from cnoeabs.peaks (1.94, 2.20, 30.51 ppm; 3.38 A): 2 out of 11 assignments used, quality = 1.00: * HB2 MET 1 + HG2 MET 1 OK 100 100 - 100 - 3.0=100 HB2 GLU 17 + HG2 MET 1 OK 57 100 - 58 - 1.8/25=9, 31/1.8=9...(23) HB3 LYS 47 - HG2 MET 1 OK 22 70 - 32 - 1.8/28=6, ~35=4...(13) HB3 LYS 73 - HG2 MET 1 OK 19 77 - 25 - 31/1.8=3, 1.8/28=3...(12) HB2 LYS 73 - HG2 MET 1 OK 14 73 - 19 - 3.0/23=2, 31/1.8=2...(9) HB3 LYS 20 - HG2 MET 1 OK 13 97 - 13 - 31/1.8=2, 38/3.3=2, 12=1...(6) HB3 ARG 46 - HG2 MET 1 poor 8 65 - 12 - 1.8/28=3, ~35=2, ~21=1...(6) HB VAL 32 - HG2 MET 1 lone 4 100 - 3 - HB3 ARG 19 - HG2 MET 1 lone 3 87 - 3 - HG3 GLU 88 - HG2 MET 1 lone 3 100 - 2 - HB2 LYS 94 - HG2 MET 1 lone 3 61 - 4 - Peak 25 from cnoeabs.peaks (2.00, 2.20, 30.51 ppm; 3.12 A): 2 out of 7 assignments used, quality = 1.00: * HB3 MET 1 + HG2 MET 1 OK 100 100 - 100 - 3.0=100 HB3 GLU 17 + HG2 MET 1 OK 53 99 - 54 - 32/1.8=8, 1.8/24=7...(24) HB2 GLU 35 - HG2 MET 1 OK 28 99 - 28 - 32/1.8=4, 1539=3...(11) HB3 GLU 44 - HG2 MET 1 OK 11 100 - 11 - 32/1.8=2, 39/3.3=1...(4) HB2 GLU 44 - HG2 MET 1 OK 11 100 - 11 - 32/1.8=2, 39/3.3=1...(4) QE MET 74 - HG2 MET 1 OK 11 100 - 11 - 39/3.3=2, 32/1.8=2, 4/4.2=1 HB2 GLU 62 - HG2 MET 1 lone 2 84 - 3 - Peak 26 from cnoeabs.peaks (2.20, 2.20, 30.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 1 + HG2 MET 1 OK 100 100 - 100 Peak 27 from cnoeabs.peaks (2.42, 2.20, 30.51 ppm; 2.66 A): 1 out of 9 assignments used, quality = 1.00: * HG3 MET 1 + HG2 MET 1 OK 100 100 - 100 - 1.8=100 HG3 GLU 17 - HG2 MET 1 OK 29 90 - 33 - 3.0/25=4, 3.0/24=4...(16) HG2 GLN 72 - HG2 MET 1 OK 14 98 - 14 - 20/3.0=2, 13/3.0=2...(7) HG3 GLN 50 - HG2 MET 1 lone 4 84 - 5 - HG3 GLU 48 - HG2 MET 1 lone 3 90 - 4 - HG3 MET 21 - HG2 MET 1 lone 3 65 - 4 - HB3 MET 21 - HG2 MET 1 lone 2 61 - 4 - HG2 GLN 50 - HG2 MET 1 lone 2 65 - 3 - HB2 ASP 11 - HG2 MET 1 lone 1 81 - 2 - Peak 28 from cnoeabs.peaks (1.98, 2.20, 30.51 ppm; 3.14 A): 2 out of 9 assignments used, quality = 0.95: * QE MET 1 + HG2 MET 1 OK 93 100 - 93 - 3.3=84, 35/1.8=17...(11) HB2 LYS 47 + HG2 MET 1 OK 29 96 - 30 - 35/1.8=5, 21/3.0=5...(9) HB2 ARG 46 - HG2 MET 1 OK 14 100 - 14 - 35/1.8=3, 21/3.0=2...(5) HB3 MET 74 - HG2 MET 1 OK 13 81 - 16 - 21/3.0=3, 14/3.0=2...(6) HB2 LYS 73 - HG2 MET 1 OK 12 61 - 20 - 35/1.8=2, 1.8/24=2...(8) HB3 ARG 46 - HG2 MET 1 lone 6 70 - 9 - ~35=2, 35/1.8=1...(6) HB3 LYS 24 - HG2 MET 1 lone 6 81 - 7 - 14/3.0=1, 21/3.0=1, 35/1.8=1 HB2 LYS 24 - HG2 MET 1 lone 6 81 - 7 - 14/3.0=1, 21/3.0=1, 35/1.8=1 HB2 GLU 37 - HG2 MET 1 lone 6 100 - 6 - 35/1.8=1 Peak 29 from cnoeabs.peaks (8.51, 2.20, 30.51 ppm; 4.86 A): 4 out of 4 assignments used, quality = 0.83: * H LEU 2 + HG2 MET 1 OK 68 100 - 68 - 8/4.2=28, 36/1.8=19...(8) H ARG 79 + HG2 MET 1 OK 26 92 - 29 - 36/1.8=8, 43/3.3=7...(5) H THR 31 + HG2 MET 1 OK 19 84 - 23 - 36/1.8=6, 43/3.3=4...(5) H VAL 54 + HG2 MET 1 OK 11 61 - 17 - 4.7/9180=5, 36/1.8=3...(7) Peak 30 from cnoeabs.peaks (4.16, 2.42, 30.51 ppm; 4.58 A): 2 out of 7 assignments used, quality = 1.00: * HA MET 1 + HG3 MET 1 OK 100 100 - 100 - 4.2=100 HA GLN 72 + HG3 MET 1 OK 49 100 - 49 - 23/1.8=7, 3186=6...(14) HA LYS 47 - HG3 MET 1 OK 37 81 - 46 - 3.0/35=7, 23/1.8=6...(16) HA LYS 73 - HG3 MET 1 OK 30 81 - 37 - 3.0/7200=6, 23/1.8=5...(12) HA LYS 13 - HG3 MET 1 OK 10 100 - 10 - 16/3.0=2, 23/1.8=2...(4) HA GLU 23 - HG3 MET 1 lone 8 90 - 8 - 23/1.8=1, 16/3.0=1, 37/3.3=1 HB2 SER 59 - HG3 MET 1 lone 7 100 - 7 - 23/1.8=1, 16/3.0=1 Peak 31 from cnoeabs.peaks (1.94, 2.42, 30.51 ppm; 3.28 A): 2 out of 11 assignments used, quality = 1.00: * HB2 MET 1 + HG3 MET 1 OK 100 100 - 100 - 3.0=100 HB2 GLU 17 + HG3 MET 1 OK 58 100 - 59 - 1.8/32=9, 24/1.8=8...(27) HB3 LYS 47 - HG3 MET 1 OK 22 70 - 32 - 1.8/35=6, ~28=3...(11) HB3 LYS 73 - HG3 MET 1 OK 19 77 - 25 - 24/1.8=3, 1.8/35=3...(13) HB2 LYS 73 - HG3 MET 1 OK 14 73 - 19 - 4.1/7200=2, 3.0/30=2...(9) HB3 LYS 20 - HG3 MET 1 OK 13 97 - 13 - 24/1.8=2, 38/3.3=2...(5) HB3 ARG 46 - HG3 MET 1 poor 8 65 - 11 - 1.8/35=3, ~28=2, ~21=1...(6) HB3 ARG 19 - HG3 MET 1 lone 3 87 - 4 - HB VAL 32 - HG3 MET 1 lone 3 100 - 3 - HG3 GLU 88 - HG3 MET 1 lone 2 100 - 2 - HB2 LYS 94 - HG3 MET 1 lone 2 61 - 3 - Peak 32 from cnoeabs.peaks (2.00, 2.42, 30.51 ppm; 3.25 A): 2 out of 7 assignments used, quality = 1.00: * HB3 MET 1 + HG3 MET 1 OK 100 100 - 100 - 3.0=100 HB3 GLU 17 + HG3 MET 1 OK 57 99 - 58 - 25/1.8=9, 1.8/31=8...(25) HB2 GLU 35 - HG3 MET 1 OK 32 99 - 32 - 25/1.8=5, 2.9/33=4...(14) HB3 GLU 44 - HG3 MET 1 OK 13 100 - 12 - 25/1.8=2, 39/3.3=1...(4) HB2 GLU 44 - HG3 MET 1 OK 13 100 - 12 - 25/1.8=2, 39/3.3=1...(4) QE MET 74 - HG3 MET 1 OK 11 100 - 10 - 25/1.8=2, 39/3.3=2, 4/4.2=1 HB2 GLU 62 - HG3 MET 1 lone 2 84 - 2 - Peak 33 from cnoeabs.peaks (2.20, 2.42, 30.51 ppm; 2.56 A): 1 out of 9 assignments used, quality = 1.00: * HG2 MET 1 + HG3 MET 1 OK 100 100 - 100 - 1.8=100 HG3 GLU 35 - HG3 MET 1 OK 18 100 - 19 - 19/3.0=2, 12/3.0=2...(8) HG2 GLU 35 - HG3 MET 1 OK 18 100 - 19 - 19/3.0=2, 12/3.0=2...(8) HG3 PRO 86 - HG3 MET 1 poor 10 100 - 10 - 2.3/12333=2, 12/3.0=1...(4) HB2 GLU 63 - HG3 MET 1 lone 4 100 - 4 - HB2 GLU 95 - HG3 MET 1 lone 3 98 - 3 - HG2 GLU 43 - HG3 MET 1 lone 3 92 - 3 - HB3 GLU 75 - HG3 MET 1 lone 2 94 - 2 - HG2 GLU 98 - HG3 MET 1 lone 0 70 - 1 - Peak 34 from cnoeabs.peaks (2.42, 2.42, 30.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 1 + HG3 MET 1 OK 100 100 - 100 Peak 35 from cnoeabs.peaks (1.98, 2.42, 30.51 ppm; 3.18 A): 1 out of 9 assignments used, quality = 0.95: * QE MET 1 + HG3 MET 1 OK 95 100 - 95 - 3.3=87, 28/1.8=18...(11) HB2 LYS 47 - HG3 MET 1 OK 31 96 - 33 - 28/1.8=5, 21/3.0=5...(9) HB2 ARG 46 - HG3 MET 1 OK 15 100 - 15 - 28/1.8=3, 21/3.0=2...(5) HB2 LYS 73 - HG3 MET 1 OK 14 61 - 23 - 1.8/31=3, 21/3.0=2...(9) HB3 MET 74 - HG3 MET 1 OK 13 81 - 16 - 21/3.0=4, 28/1.8=2...(8) HB3 ARG 46 - HG3 MET 1 lone 6 70 - 9 - ~28=2, 28/1.8=1, ~21=1...(6) HB3 LYS 24 - HG3 MET 1 lone 6 81 - 7 - 14/3.0=1, 21/3.0=1, 28/1.8=1 HB2 LYS 24 - HG3 MET 1 lone 6 81 - 7 - 14/3.0=1, 21/3.0=1, 28/1.8=1 HB2 GLU 37 - HG3 MET 1 lone 6 100 - 6 - 28/1.8=1 Peak 36 from cnoeabs.peaks (8.51, 2.42, 30.51 ppm; 5.19 A): 4 out of 4 assignments used, quality = 0.86: * H LEU 2 + HG3 MET 1 OK 72 100 - 72 - 8/4.2=30, 29/1.8=24...(7) H ARG 79 + HG3 MET 1 OK 29 92 - 32 - 29/1.8=9, 43/3.3=7...(5) H THR 31 + HG3 MET 1 OK 22 84 - 26 - 29/1.8=7, 43/3.3=5...(6) H VAL 54 + HG3 MET 1 OK 11 61 - 18 - 29/1.8=4, 4.7/9179=4...(7) Peak 37 from cnoeabs.peaks (4.16, 1.98, 16.19 ppm; 4.25 A): 4 out of 7 assignments used, quality = 0.95: * HA MET 1 + QE MET 1 OK 87 100 - 87 - 5.3=51, 3.0/39=24...(13) HA GLN 72 + QE MET 1 OK 32 100 - 32 - 3.0/10839=7, 30/3.3=5...(9) HA LYS 47 + QE MET 1 OK 25 81 - 31 - 23/3.3=4, 30/3.3=4...(13) HA LYS 73 + QE MET 1 OK 22 81 - 28 - 16/4.2=4, 23/3.3=4...(10) HA LYS 13 - QE MET 1 lone 9 100 - 9 - 16/4.2=1, 30/3.3=1, 23/3.3=1 HA GLU 23 - QE MET 1 lone 6 90 - 6 - HB2 SER 59 - QE MET 1 lone 5 100 - 5 - Peak 38 from cnoeabs.peaks (1.94, 1.98, 16.19 ppm; 2.40 A): 2 out of 11 assignments used, quality = 0.61: * HB2 MET 1 + QE MET 1 OK 50 100 - 51 - 14=22, 1.8/39=16...(9) HB2 GLU 17 + QE MET 1 OK 21 100 - 21 - 1.8/39=6, 31/3.3=3...(7) HB3 LYS 47 - QE MET 1 lone 6 70 - 9 - 3.0/37=1, 31/3.3=1, 24/3.3=1 HB3 LYS 20 - QE MET 1 lone 6 97 - 6 - 14=1 HB3 LYS 73 - QE MET 1 lone 5 77 - 6 - HB2 LYS 73 - QE MET 1 lone 4 73 - 5 - HB3 ARG 46 - QE MET 1 lone 3 65 - 5 - HB VAL 32 - QE MET 1 lone 1 100 - 1 - HB3 ARG 19 - QE MET 1 lone 1 87 - 1 - HB2 LYS 94 - QE MET 1 lone 1 61 - 1 - HG3 GLU 88 - QE MET 1 lone 1 100 - 1 - Peak 39 from cnoeabs.peaks (2.00, 1.98, 16.19 ppm; 2.40 A): 2 out of 7 assignments used, quality = 0.61: * HB3 MET 1 + QE MET 1 OK 51 100 - 51 - 21=23, 1.8/38=15...(8) HB3 GLU 17 + QE MET 1 OK 21 99 - 21 - 1.8/38=6, 25/3.3=3...(8) HB2 GLU 35 - QE MET 1 lone 9 99 - 10 - 32/3.3=2, 25/3.3=2...(4) QE MET 74 - QE MET 1 lone 6 100 - 6 - 3369=1 HB3 GLU 44 - QE MET 1 lone 5 100 - 5 - HB2 GLU 44 - QE MET 1 lone 5 100 - 5 - HB2 GLU 62 - QE MET 1 lone 1 84 - 1 - Peak 40 from cnoeabs.peaks (2.20, 1.98, 16.19 ppm; 4.15 A): 1 out of 9 assignments used, quality = 1.00: * HG2 MET 1 + QE MET 1 OK 100 100 - 100 - 3.3=100 HG3 GLU 35 - QE MET 1 OK 32 100 - 33 - 33/3.3=5, 19/4.2=5...(11) HG2 GLU 35 - QE MET 1 OK 32 100 - 33 - 33/3.3=5, 19/4.2=5...(11) HG3 PRO 86 - QE MET 1 OK 22 100 - 23 - ~12333=5, 33/3.3=3...(9) HB2 GLU 63 - QE MET 1 lone 10 100 - 10 - 33/3.3=1, 19/4.2=1 HG2 GLU 43 - QE MET 1 lone 7 92 - 8 - 3.7/8031=1 HB2 GLU 95 - QE MET 1 lone 7 98 - 7 - HB3 GLU 75 - QE MET 1 lone 6 94 - 7 - HG2 GLU 98 - QE MET 1 lone 1 70 - 2 - Peak 41 from cnoeabs.peaks (2.42, 1.98, 16.19 ppm; 3.58 A): 1 out of 9 assignments used, quality = 1.00: * HG3 MET 1 + QE MET 1 OK 100 100 - 100 - 3.3=100 HG3 GLU 17 - QE MET 1 OK 38 90 - 43 - 3.0/39=8, 3.0/38=8...(13) HG2 GLN 72 - QE MET 1 OK 23 98 - 23 - 3.0/10839=5, 3.9/37=3...(8) HG3 MET 21 - QE MET 1 poor 8 65 - 12 - 1.8/8030=4, 5.1/8036=3 HB3 MET 21 - QE MET 1 poor 7 61 - 12 - 4.0/8036=3, 3.0/8030=3 HG3 GLU 48 - QE MET 1 lone 7 90 - 8 - HG3 GLN 50 - QE MET 1 lone 7 84 - 8 - HG2 GLN 50 - QE MET 1 lone 3 65 - 5 - HB2 ASP 11 - QE MET 1 lone 2 81 - 3 - Peak 42 from cnoeabs.peaks (1.98, 1.98, 16.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 1 + QE MET 1 OK 100 100 - 100 Peak 43 from cnoeabs.peaks (8.51, 1.98, 16.19 ppm; 4.83 A): 3 out of 4 assignments used, quality = 0.88: * H LEU 2 + QE MET 1 OK 79 100 - 79 - 8/5.3=21, 6008=21...(10) H ARG 79 + QE MET 1 OK 28 92 - 30 - 29/3.3=7, 36/3.3=6...(8) H THR 31 + QE MET 1 OK 19 84 - 22 - 29/3.3=5, 36/3.3=5...(5) H VAL 54 - QE MET 1 poor 9 61 - 15 - 29/3.3=3, 36/3.3=2...(5) Peak 44 from cnoeabs.peaks (8.51, 4.46, 54.47 ppm; 5.00 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 2 + HA LEU 2 OK 100 100 - 100 - 3.0=100 H ARG 79 - HA LEU 2 OK 35 92 - 38 - 60/3.0=7, 52/3.0=7...(9) H THR 31 - HA LEU 2 OK 26 84 - 31 - 68/3.7=6, 52/3.0=5...(8) H VAL 54 - HA LEU 2 OK 16 61 - 25 - ~10651=4, 52/3.0=4...(8) Peak 45 from cnoeabs.peaks (4.46, 4.46, 54.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 2 + HA LEU 2 OK 100 100 - 100 Peak 46 from cnoeabs.peaks (1.70, 4.46, 54.47 ppm; 4.04 A): 1 out of 16 assignments used, quality = 1.00: * HB2 LEU 2 + HA LEU 2 OK 100 100 - 100 - 3.0=100 HG LEU 70 - HA LEU 2 OK 33 100 - 33 - 2.1/49=4, 2.1/49=4...(15) HG12 ILE 15 - HA LEU 2 OK 27 96 - 28 - 62/3.0=3, ~12274=3...(13) HB3 LEU 70 - HA LEU 2 OK 23 81 - 28 - 3.1/49=3, 3.1/49=3...(18) HG2 PRO 86 - HA LEU 2 OK 19 94 - 20 - ~9882=3, 62/3.0=2...(9) HD3 LYS 24 - HA LEU 2 OK 16 99 - 16 - 6010/3.0=2, 3.0/48=2...(7) HD2 LYS 24 - HA LEU 2 OK 16 98 - 16 - 6010/3.0=2, 3.0/48=2...(7) HD2 LYS 13 - HA LEU 2 OK 14 100 - 14 - 62/3.0=2, 70/3.7=2...(6) HD3 LYS 13 - HA LEU 2 OK 14 100 - 14 - 62/3.0=2, 70/3.7=2...(6) HB3 LYS 53 - HA LEU 2 OK 10 73 - 14 - 6019/3.6=2, 4.4/44=1...(5) HD3 LYS 66 - HA LEU 2 lone 9 100 - 9 - 10782/4.0=2, 62/3.0=1 HD2 LYS 12 - HA LEU 2 lone 9 100 - 9 - 62/3.0=1 HD3 LYS 12 - HA LEU 2 lone 9 100 - 9 - 62/3.0=1 HD3 LYS 90 - HA LEU 2 lone 7 99 - 7 - 6019/3.6=1 HB3 LYS 40 - HA LEU 2 lone 4 65 - 6 - HB3 ARG 91 - HA LEU 2 lone 2 61 - 4 - Peak 47 from cnoeabs.peaks (1.33, 4.46, 54.47 ppm; 3.53 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LEU 2 + HA LEU 2 OK 100 100 - 100 - 3.0=100 QB ALA 25 - HA LEU 2 OK 19 98 - 20 - 3.6/51=4, 1158/3.6=4...(7) HG2 LYS 94 - HA LEU 2 OK 16 98 - 17 - 55/3.0=3, 79/4.0=2...(7) HG LEU 14 - HA LEU 2 OK 14 70 - 21 - 55/3.0=2, 71/3.7=2...(9) HB3 LEU 27 - HA LEU 2 OK 13 90 - 14 - 6020/3.6=4, 55/3.0=2...(6) QB ALA 67 - HA LEU 2 OK 12 99 - 12 - 9526/4.0=2, 55/3.0=2...(6) QB ALA 89 - HA LEU 2 lone 10 98 - 10 - 55/3.0=2, 71/3.7=1...(6) HB2 LYS 82 - HA LEU 2 poor 9 92 - 10 - 6020/3.6=2, 55/3.0=1, 6011/3.0=1 HG2 LYS 39 - HA LEU 2 lone 9 87 - 10 - 79/4.0=2, 55/3.0=1...(5) HG3 LYS 68 - HA LEU 2 lone 2 73 - 3 - Peak 48 from cnoeabs.peaks (1.51, 4.46, 54.47 ppm; 4.05 A): 2 out of 12 assignments used, quality = 1.00: * HG LEU 2 + HA LEU 2 OK 100 100 - 100 - 3.7=100 HB ILE 7 + HA LEU 2 OK 50 97 - 52 - 64/3.0=7, 56/3.0=7...(16) HB2 LEU 14 - HA LEU 2 OK 27 97 - 28 - 56/3.0=4, 64/3.0=4...(11) HB3 LEU 103 - HA LEU 2 OK 22 96 - 23 - 56/3.0=4, 64/3.0=4...(10) HG LEU 57 - HA LEU 2 OK 21 81 - 26 - 80/4.0=3, 64/3.0=3...(12) HG3 LYS 24 - HA LEU 2 OK 16 97 - 16 - 6012/3.0=2, 64/3.0=2...(8) HG12 ILE 56 - HA LEU 2 OK 11 73 - 15 - ~9309=3, 6012/3.0=2...(6) HG LEU 6 - HA LEU 2 lone 9 92 - 10 - 6021/3.6=2, 56/3.0=1...(5) HG3 ARG 30 - HA LEU 2 poor 9 77 - 11 - 6021/3.6=2, 6012/3.0=1, ~1346=1 HG3 LYS 13 - HA LEU 2 poor 8 65 - 12 - 3.0/46=1, 3.0/46=1, 64/3.0=1 HG2 ARG 79 - HA LEU 2 poor 7 61 - 11 - 4.7/44=3 HG3 LYS 33 - HA LEU 2 lone 4 90 - 4 - Peak 49 from cnoeabs.peaks (0.81, 4.46, 54.47 ppm; 3.28 A): 7 out of 10 assignments used, quality = 0.94: * QD2 LEU 2 + HA LEU 2 OK 71 100 - 71 - 4.0=55, 5.0/6018=13...(7) QG2 ILE 7 + HA LEU 2 OK 32 92 - 35 - 2.1/48=4, 3.2/50=4...(16) QD1 ILE 76 + HA LEU 2 OK 27 96 - 28 - 10286/3.0=7, 3452/4.0=4...(11) QD2 LEU 70 + HA LEU 2 OK 21 100 - 21 - 2.1/46=2, 65/3.0=2...(11) QD1 LEU 70 + HA LEU 2 OK 20 97 - 21 - 2.1/46=2, 65/3.0=2...(11) QG2 ILE 15 + HA LEU 2 OK 17 100 - 17 - 57/3.0=2, 65/3.0=2...(8) QD2 LEU 57 + HA LEU 2 OK 16 84 - 19 - 65/3.0=2, 2637/3.7=2...(12) QD1 LEU 57 - HA LEU 2 poor 10 61 - 16 - 2.1/48=2, ~12135=2...(9) QD2 LEU 103 - HA LEU 2 poor 9 65 - 13 - 4501/3.7=1, 3.1/48=1...(6) QD2 LEU 38 - HA LEU 2 lone 3 81 - 3 - Peak 50 from cnoeabs.peaks (0.88, 4.46, 54.47 ppm; 4.35 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 2 + HA LEU 2 OK 100 100 - 100 - 4.0=100 HG13 ILE 7 + HA LEU 2 OK 51 90 - 57 - 66/3.0=8, 58/3.0=8...(17) QG2 ILE 76 + HA LEU 2 OK 47 100 - 47 - 9628/3.0=7, 58/3.0=7...(12) HG13 ILE 8 - HA LEU 2 OK 25 99 - 25 - 58/3.0=4, 66/3.0=4...(9) QD1 LEU 103 - HA LEU 2 OK 16 65 - 24 - 74/3.7=4, 66/3.0=3...(13) Peak 51 from cnoeabs.peaks (7.84, 4.46, 54.47 ppm; 3.02 A): 3 out of 3 assignments used, quality = 0.87: * H LEU 3 + HA LEU 2 OK 79 100 - 79 - 3.6=61, 5.0/77=11...(11) H LYS 73 + HA LEU 2 OK 24 100 - 24 - 67/3.0=4, 83/4.0=4...(7) H ASN 26 + HA LEU 2 OK 19 99 - 19 - 67/3.0=4, 59/3.0=3...(7) Peak 52 from cnoeabs.peaks (8.51, 1.70, 43.59 ppm; 4.51 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 2 + HB2 LEU 2 OK 100 100 - 100 - 4.0=100 H ARG 79 - HB2 LEU 2 OK 30 92 - 32 - 60/1.8=7, 68/3.0=6...(6) H THR 31 - HB2 LEU 2 OK 25 84 - 29 - 68/3.0=6, 60/1.8=5...(8) H VAL 54 - HB2 LEU 2 OK 16 61 - 26 - 3.0/10651=6, 60/1.8=3...(9) Peak 53 from cnoeabs.peaks (4.46, 1.70, 43.59 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 2 + HB2 LEU 2 OK 100 100 - 100 - 3.0=100 Peak 54 from cnoeabs.peaks (1.70, 1.70, 43.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 2 + HB2 LEU 2 OK 100 100 - 100 Peak 55 from cnoeabs.peaks (1.33, 1.70, 43.59 ppm; 2.81 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LEU 2 + HB2 LEU 2 OK 100 100 - 100 - 1.8=100 HG2 LYS 94 - HB2 LEU 2 OK 15 98 - 15 - 79/3.1=2, 87/3.1=2...(5) HG LEU 14 - HB2 LEU 2 OK 14 70 - 20 - 2.1/12275=2, 2.1/10404=2...(7) QB ALA 25 - HB2 LEU 2 OK 14 98 - 14 - 3.6/59=2, 47/3.0=2...(6) HB3 LEU 27 - HB2 LEU 2 OK 11 90 - 12 - 6020/4.6=2, 3.1/12274=1...(6) QB ALA 67 - HB2 LEU 2 lone 10 99 - 10 - 9526/3.1=2, 71/3.0=1...(4) QB ALA 89 - HB2 LEU 2 lone 10 98 - 10 - 79/3.1=1, 71/3.0=1, 87/3.1=1 HG2 LYS 39 - HB2 LEU 2 lone 8 87 - 9 - 79/3.1=1, 87/3.1=1 HB2 LYS 82 - HB2 LEU 2 lone 6 92 - 7 - HG3 LYS 68 - HB2 LEU 2 lone 2 73 - 2 - Peak 56 from cnoeabs.peaks (1.51, 1.70, 43.59 ppm; 3.25 A): 2 out of 12 assignments used, quality = 1.00: * HG LEU 2 + HB2 LEU 2 OK 100 100 - 100 - 3.0=100 HB ILE 7 + HB2 LEU 2 OK 52 97 - 54 - 64/1.8=7, 2.9/58=5...(29) HB2 LEU 14 - HB2 LEU 2 OK 29 97 - 30 - 64/1.8=3, 3.1/12275=3...(11) HB3 LEU 103 - HB2 LEU 2 OK 27 96 - 29 - 64/1.8=3, 88/3.1=3...(13) HG LEU 57 - HB2 LEU 2 OK 24 81 - 30 - 64/1.8=3, 80/3.1=3...(15) HG3 LYS 24 - HB2 LEU 2 OK 12 97 - 12 - 64/1.8=2, 80/3.1=1...(4) HG LEU 6 - HB2 LEU 2 poor 10 92 - 11 - 2.1/12274=2, 2.1/12275=1 HG12 ILE 56 - HB2 LEU 2 poor 9 73 - 13 - 2.1/12275=2, 64/1.8=1...(4) HG3 LYS 13 - HB2 LEU 2 poor 8 65 - 11 - ~10394=1, 64/1.8=1 HG3 ARG 30 - HB2 LEU 2 lone 6 77 - 7 - HG2 ARG 79 - HB2 LEU 2 lone 3 61 - 5 - 4.7/52=2 HG3 LYS 33 - HB2 LEU 2 lone 3 90 - 3 - Peak 57 from cnoeabs.peaks (0.81, 1.70, 43.59 ppm; 3.62 A): 2 out of 10 assignments used, quality = 1.00: * QD2 LEU 2 + HB2 LEU 2 OK 100 100 - 100 - 3.1=100 QG2 ILE 7 + HB2 LEU 2 OK 57 92 - 62 - 2.1/56=7, 3.2/58=6...(33) QD1 ILE 76 - HB2 LEU 2 OK 44 96 - 46 - 10286/1.8=12, 3452/3.1=6...(18) QG2 ILE 15 - HB2 LEU 2 OK 39 100 - 40 - 3.0/12274=4, 657=3...(18) QD2 LEU 70 - HB2 LEU 2 OK 38 100 - 38 - 3170=4, 65/1.8=4...(22) QD1 LEU 70 - HB2 LEU 2 OK 37 97 - 38 - 3162=4, 65/1.8=3...(22) QD2 LEU 57 - HB2 LEU 2 OK 34 84 - 40 - 65/1.8=3, 2.1/56=3...(24) QD1 LEU 57 - HB2 LEU 2 OK 22 61 - 37 - 2.1/56=3, ~12135=3...(25) QD2 LEU 103 - HB2 LEU 2 OK 21 65 - 33 - 2.1/58=3, 3.1/56=3...(19) QD2 LEU 38 - HB2 LEU 2 lone 8 81 - 10 - ~12040=1, ~12039=1 Peak 58 from cnoeabs.peaks (0.88, 1.70, 43.59 ppm; 3.48 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 2 + HB2 LEU 2 OK 100 100 - 100 - 3.1=100 HG13 ILE 7 + HB2 LEU 2 OK 52 90 - 59 - 66/1.8=8, 74/3.0=6...(28) QG2 ILE 76 - HB2 LEU 2 OK 43 100 - 43 - 66/1.8=6, 82/3.1=6...(16) HG13 ILE 8 - HB2 LEU 2 OK 25 99 - 25 - 66/1.8=4, 2.1/12275=3...(10) QD1 LEU 103 - HB2 LEU 2 OK 20 65 - 30 - 66/1.8=3, 74/3.0=3...(13) Peak 59 from cnoeabs.peaks (7.84, 1.70, 43.59 ppm; 4.62 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 3 + HB2 LEU 2 OK 99 100 - 99 - 4.6=99 H LYS 73 + HB2 LEU 2 OK 58 100 - 59 - 67/1.8=12, 83/3.1=12...(11) H ASN 26 - HB2 LEU 2 OK 42 99 - 43 - 67/1.8=10, 83/3.1=7...(9) Peak 60 from cnoeabs.peaks (8.51, 1.33, 43.59 ppm; 4.71 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 2 + HB3 LEU 2 OK 100 100 - 100 - 4.0=100 H ARG 79 - HB3 LEU 2 OK 34 92 - 37 - 52/1.8=7, 68/3.0=6...(6) H THR 31 - HB3 LEU 2 OK 26 84 - 31 - 52/1.8=6, 68/3.0=6...(6) H VAL 54 - HB3 LEU 2 OK 16 61 - 27 - ~10651=5, 52/1.8=4...(8) Peak 61 from cnoeabs.peaks (4.46, 1.33, 43.59 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 2 + HB3 LEU 2 OK 100 100 - 100 - 3.0=100 Peak 62 from cnoeabs.peaks (1.70, 1.33, 43.59 ppm; 2.80 A): 1 out of 16 assignments used, quality = 1.00: * HB2 LEU 2 + HB3 LEU 2 OK 100 100 - 100 - 1.8=100 HG LEU 70 - HB3 LEU 2 OK 21 100 - 22 - 2.1/65=2, 2.1/65=2...(9) HG12 ILE 15 - HB3 LEU 2 OK 21 96 - 22 - ~10118=2, ~12274=2...(9) HB3 LEU 70 - HB3 LEU 2 OK 16 81 - 20 - 3.1/65=2, 3.1/65=1...(5) HG2 PRO 86 - HB3 LEU 2 OK 13 94 - 14 - 2.3/9882=2, 70/3.0=1...(5) HD3 LYS 13 - HB3 LEU 2 OK 10 100 - 10 - HD2 LYS 13 - HB3 LEU 2 OK 10 100 - 10 - HD3 LYS 24 - HB3 LEU 2 lone 10 99 - 10 - HD2 LYS 24 - HB3 LEU 2 lone 10 98 - 10 - HD3 LYS 66 - HB3 LEU 2 lone 7 100 - 6 - HD3 LYS 12 - HB3 LEU 2 lone 6 100 - 6 - HD2 LYS 12 - HB3 LEU 2 lone 6 100 - 6 - HB3 LYS 53 - HB3 LEU 2 lone 4 73 - 6 - HD3 LYS 90 - HB3 LEU 2 lone 4 99 - 4 - HB3 ARG 91 - HB3 LEU 2 lone 3 61 - 4 - HB3 LYS 40 - HB3 LEU 2 lone 2 65 - 3 - Peak 63 from cnoeabs.peaks (1.33, 1.33, 43.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 2 + HB3 LEU 2 OK 100 100 - 100 Peak 64 from cnoeabs.peaks (1.51, 1.33, 43.59 ppm; 3.20 A): 2 out of 12 assignments used, quality = 1.00: * HG LEU 2 + HB3 LEU 2 OK 100 100 - 100 - 3.0=100 HB ILE 7 + HB3 LEU 2 OK 51 97 - 53 - 56/1.8=6, 2.9/66=5...(28) HB2 LEU 14 - HB3 LEU 2 OK 26 97 - 27 - 56/1.8=3, 88/3.1=2...(9) HB3 LEU 103 - HB3 LEU 2 OK 26 96 - 28 - 56/1.8=3, 88/3.1=3...(12) HG LEU 57 - HB3 LEU 2 OK 24 81 - 30 - 56/1.8=3, 80/3.1=3...(14) HG3 LYS 24 - HB3 LEU 2 OK 13 97 - 13 - 56/1.8=1, 3.0/62=1...(6) HG12 ILE 56 - HB3 LEU 2 poor 10 73 - 13 - 3.2/9325=2, 2.1/10681=2...(4) HG LEU 6 - HB3 LEU 2 lone 8 92 - 9 - 56/1.8=1 HG3 LYS 13 - HB3 LEU 2 poor 8 65 - 12 - 3.0/62=1, 3.0/62=1, ~10394=1 HG3 ARG 30 - HB3 LEU 2 lone 5 77 - 7 - HG2 ARG 79 - HB3 LEU 2 lone 3 61 - 5 - 4.7/60=2 HG3 LYS 33 - HB3 LEU 2 lone 3 90 - 3 - Peak 65 from cnoeabs.peaks (0.81, 1.33, 43.59 ppm; 3.39 A): 2 out of 10 assignments used, quality = 1.00: * QD2 LEU 2 + HB3 LEU 2 OK 100 100 - 100 - 3.1=100 QG2 ILE 7 + HB3 LEU 2 OK 52 92 - 56 - 2.1/64=6, 3.0/12172=6...(31) QD1 ILE 76 - HB3 LEU 2 OK 41 96 - 43 - 10286=8, 3452/3.1=5...(20) QD2 LEU 70 - HB3 LEU 2 OK 34 100 - 34 - 2.1/62=3, 3170/1.8=3...(16) QD1 LEU 70 - HB3 LEU 2 OK 32 97 - 33 - 2.1/62=3, 57/1.8=3...(16) QG2 ILE 15 - HB3 LEU 2 OK 31 100 - 31 - 57/1.8=3, 3.2/62=2...(14) QD2 LEU 57 - HB3 LEU 2 OK 31 84 - 37 - 2.1/64=3, 3.1/12135=3...(18) QD1 LEU 57 - HB3 LEU 2 OK 20 61 - 33 - 2.1/64=3, 3.1/12135=3...(18) QD2 LEU 103 - HB3 LEU 2 OK 18 65 - 28 - 2.1/66=3, 3.1/64=3...(13) QD2 LEU 38 - HB3 LEU 2 lone 7 81 - 9 - ~12040=1, ~12039=1 Peak 66 from cnoeabs.peaks (0.88, 1.33, 43.59 ppm; 3.48 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 2 + HB3 LEU 2 OK 100 100 - 100 - 3.1=100 HG13 ILE 7 + HB3 LEU 2 OK 52 90 - 58 - 58/1.8=8, 2.1/12172=8...(27) QG2 ILE 76 - HB3 LEU 2 OK 42 100 - 42 - 58/1.8=6, 3.2/10286=6...(16) HG13 ILE 8 - HB3 LEU 2 OK 24 99 - 24 - 58/1.8=4, 74/3.0=3...(10) QD1 LEU 103 - HB3 LEU 2 OK 20 65 - 31 - 58/1.8=3, 74/3.0=3...(13) Peak 67 from cnoeabs.peaks (7.84, 1.33, 43.59 ppm; 4.04 A): 3 out of 3 assignments used, quality = 0.97: * H LEU 3 + HB3 LEU 2 OK 89 100 - 89 - 4.6=66, 6018/3.0=39...(6) H LYS 73 + HB3 LEU 2 OK 48 100 - 48 - 83/3.1=9, 59/1.8=9...(11) H ASN 26 + HB3 LEU 2 OK 41 99 - 41 - 59/1.8=6, 6413=6...(13) Peak 68 from cnoeabs.peaks (8.51, 1.51, 26.80 ppm; 4.05 A): 4 out of 4 assignments used, quality = 0.92: * H LEU 2 + HG LEU 2 OK 85 100 - 85 - 4.7=63, ~77=21...(9) H ARG 79 + HG LEU 2 OK 24 92 - 26 - 84/2.1=6, 60/3.0=5...(5) H THR 31 + HG LEU 2 OK 22 84 - 26 - 84/2.1=4, 76/2.1=4...(9) H VAL 54 + HG LEU 2 OK 12 61 - 19 - 84/2.1=3, ~10651=3...(8) Peak 69 from cnoeabs.peaks (4.46, 1.51, 26.80 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 2 + HG LEU 2 OK 100 100 - 100 - 3.7=100 Peak 70 from cnoeabs.peaks (1.70, 1.51, 26.80 ppm; 2.99 A): 1 out of 16 assignments used, quality = 1.00: * HB2 LEU 2 + HG LEU 2 OK 100 100 - 100 - 3.0=100 HG12 ILE 15 - HG LEU 2 OK 24 96 - 25 - ~10118=3, 78/2.1=3...(10) HG LEU 70 - HG LEU 2 OK 23 100 - 24 - 86/2.1=3, 78/2.1=2...(7) HB3 LEU 70 - HG LEU 2 OK 17 81 - 21 - 86/2.1=2, 78/2.1=2...(6) HG2 PRO 86 - HG LEU 2 OK 15 94 - 16 - ~8054=2, ~9882=2...(7) HD2 LYS 13 - HG LEU 2 OK 12 100 - 12 - 78/2.1=1, 86/2.1=1, 62/3.0=1 HD3 LYS 13 - HG LEU 2 OK 12 100 - 12 - 78/2.1=1, 86/2.1=1, 62/3.0=1 HD3 LYS 24 - HG LEU 2 OK 11 99 - 11 - 78/2.1=1, 86/2.1=1, 62/3.0=1 HD2 LYS 24 - HG LEU 2 OK 11 98 - 11 - 78/2.1=1, 86/2.1=1, 62/3.0=1 HD3 LYS 12 - HG LEU 2 lone 8 100 - 8 - HD2 LYS 12 - HG LEU 2 lone 8 100 - 8 - HD3 LYS 66 - HG LEU 2 lone 6 100 - 6 - 10782/2.1=1, ~12319=1 HB3 LYS 53 - HG LEU 2 lone 4 73 - 5 - HD3 LYS 90 - HG LEU 2 lone 4 99 - 4 - HB3 ARG 91 - HG LEU 2 lone 3 61 - 4 - HB3 LYS 40 - HG LEU 2 lone 3 65 - 4 - Peak 71 from cnoeabs.peaks (1.33, 1.51, 26.80 ppm; 2.94 A): 1 out of 10 assignments used, quality = 0.96: * HB3 LEU 2 + HG LEU 2 OK 96 100 - 96 - 3.0=95, ~77=9, 4.0/68=7...(5) HG LEU 14 - HG LEU 2 OK 16 70 - 23 - 2.1/628=2, 2.1/620=2...(9) HG2 LYS 94 - HG LEU 2 OK 16 98 - 16 - 79/2.1=3, 87/2.1=3...(6) QB ALA 25 - HG LEU 2 OK 14 98 - 14 - 79/2.1=2, 87/2.1=2...(5) HB3 LEU 27 - HG LEU 2 OK 10 90 - 12 - 87/2.1=2, 79/2.1=2...(5) QB ALA 89 - HG LEU 2 OK 10 98 - 10 - 79/2.1=2, 87/2.1=2...(5) QB ALA 67 - HG LEU 2 OK 10 99 - 10 - 9526/2.1=3, 87/2.1=2, 55/3.0=1 HG2 LYS 39 - HG LEU 2 poor 9 87 - 10 - 79/2.1=2, 87/2.1=2, 55/3.0=1 HB2 LYS 82 - HG LEU 2 lone 6 92 - 6 - 79/2.1=1, 87/2.1=1 HG3 LYS 68 - HG LEU 2 lone 2 73 - 2 - Peak 72 from cnoeabs.peaks (1.51, 1.51, 26.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 2 + HG LEU 2 OK 100 100 - 100 Peak 73 from cnoeabs.peaks (0.81, 1.51, 26.80 ppm; 2.93 A): 1 out of 10 assignments used, quality = 1.00: * QD2 LEU 2 + HG LEU 2 OK 100 100 - 100 - 2.1=100 QG2 ILE 7 - HG LEU 2 OK 43 92 - 47 - 251=5, 89/2.1=4...(28) QD1 ILE 76 - HG LEU 2 OK 30 96 - 31 - 10286/3.0=6, 3452/2.1=5...(14) QD2 LEU 57 - HG LEU 2 OK 25 84 - 31 - 2.1/2645=2, 89/2.1=2...(16) QG2 ILE 15 - HG LEU 2 OK 24 100 - 24 - 89/2.1=2, ~10118=2...(9) QD2 LEU 70 - HG LEU 2 OK 23 100 - 23 - 2.1/70=3, 89/2.1=2...(10) QD1 LEU 70 - HG LEU 2 OK 22 97 - 23 - 2.1/70=3, 89/2.1=2...(10) QD2 LEU 103 - HG LEU 2 OK 19 65 - 29 - 2.1/4493=4, 2.1/4509=3...(10) QD1 LEU 57 - HG LEU 2 OK 17 61 - 27 - 2.1/2637=2, ~12133=2...(15) QD2 LEU 38 - HG LEU 2 lone 6 81 - 7 - ~12040=1, ~12039=1 Peak 74 from cnoeabs.peaks (0.88, 1.51, 26.80 ppm; 3.21 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 2 + HG LEU 2 OK 100 100 - 100 - 2.1=100 HG13 ILE 7 + HG LEU 2 OK 48 90 - 54 - 82/2.1=7, 66/3.0=5...(25) QG2 ILE 76 - HG LEU 2 OK 37 100 - 37 - 82/2.1=6, 58/3.0=4...(15) QD1 LEU 103 - HG LEU 2 OK 23 65 - 36 - 2.1/4501=5, 2.1/4493=5...(18) HG13 ILE 8 - HG LEU 2 OK 20 99 - 20 - 82/2.1=3, 58/3.0=2...(9) Peak 75 from cnoeabs.peaks (7.84, 1.51, 26.80 ppm; 5.09 A): 3 out of 3 assignments used, quality = 0.97: * H LEU 3 + HG LEU 2 OK 85 100 - 85 - 6018/3.7=45, 83/2.1=24...(7) H LYS 73 + HG LEU 2 OK 62 100 - 62 - 83/2.1=15, 91/2.1=12...(10) H ASN 26 + HG LEU 2 OK 45 99 - 45 - 67/3.0=10, 83/2.1=9...(9) Peak 76 from cnoeabs.peaks (8.51, 0.81, 23.49 ppm; 5.21 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 2 + QD2 LEU 2 OK 100 100 - 100 - 4.7=100 H ARG 79 - QD2 LEU 2 OK 37 92 - 40 - 84/2.1=9, 68/2.1=8...(7) H THR 31 - QD2 LEU 2 OK 34 84 - 40 - 68/2.1=7, 84/2.1=6...(10) H VAL 54 - QD2 LEU 2 OK 17 61 - 28 - ~10651=5, 84/2.1=4...(7) Peak 77 from cnoeabs.peaks (4.46, 0.81, 23.49 ppm; 3.14 A): 1 out of 1 assignment used, quality = 0.65: * HA LEU 2 + QD2 LEU 2 OK 65 100 - 65 - 4.0=48, 6018/5.0=12...(7) Peak 78 from cnoeabs.peaks (1.70, 0.81, 23.49 ppm; 3.30 A): 1 out of 16 assignments used, quality = 1.00: * HB2 LEU 2 + QD2 LEU 2 OK 100 100 - 100 - 3.1=100 HG12 ILE 15 - QD2 LEU 2 OK 34 96 - 36 - 1.8/672=4, ~10118=4...(13) HG LEU 70 - QD2 LEU 2 OK 30 100 - 30 - 3156=4, 70/2.1=3...(13) HB3 LEU 70 - QD2 LEU 2 OK 22 81 - 27 - 1.8/3139=2, 3148=2...(10) HG2 PRO 86 - QD2 LEU 2 OK 19 94 - 20 - 1.8/8058=2, 70/2.1=2...(8) HD3 LYS 13 - QD2 LEU 2 OK 16 100 - 16 - 3.0/10394=2, 70/2.1=2...(5) HD2 LYS 13 - QD2 LEU 2 OK 16 100 - 16 - 3.0/10394=2, 70/2.1=2...(5) HD3 LYS 24 - QD2 LEU 2 OK 15 99 - 15 - 70/2.1=2, 86/2.1=1...(4) HD2 LYS 24 - QD2 LEU 2 OK 15 98 - 15 - 70/2.1=2, 86/2.1=1...(4) HD3 LYS 66 - QD2 LEU 2 OK 14 100 - 13 - 1.8/12319=2, 10782=2, 3.6/9514=1 HD3 LYS 12 - QD2 LEU 2 OK 11 100 - 11 - 86/2.1=1, 70/2.1=1 HD2 LYS 12 - QD2 LEU 2 OK 11 100 - 11 - 86/2.1=1, 70/2.1=1 HB3 LYS 53 - QD2 LEU 2 lone 7 73 - 10 - 3.0/12040=1, 6019/5.0=1 HD3 LYS 90 - QD2 LEU 2 lone 5 99 - 5 - HB3 LYS 40 - QD2 LEU 2 lone 5 65 - 7 - HB3 ARG 91 - QD2 LEU 2 lone 4 61 - 6 - Peak 79 from cnoeabs.peaks (1.33, 0.81, 23.49 ppm; 3.17 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LEU 2 + QD2 LEU 2 OK 100 100 - 100 - 3.1=100 HG2 LYS 94 - QD2 LEU 2 OK 22 98 - 23 - 2.9/8057=4, 87/2.1=3...(7) QB ALA 25 - QD2 LEU 2 OK 18 98 - 18 - 3.6/83=3, 71/2.1=2...(7) HG LEU 14 - QD2 LEU 2 OK 17 70 - 24 - 71/2.1=3, 87/2.1=2...(10) HG2 LYS 39 - QD2 LEU 2 OK 16 87 - 18 - 10569=2, 1.8/12040=2...(7) HB3 LEU 27 - QD2 LEU 2 OK 15 90 - 16 - 1.8/12040=3, 87/2.1=2...(6) QB ALA 89 - QD2 LEU 2 OK 14 98 - 14 - 2.1/9929=3, 71/2.1=2...(5) QB ALA 67 - QD2 LEU 2 OK 14 99 - 14 - 9526=3, 71/2.1=2...(4) HB2 LYS 82 - QD2 LEU 2 lone 9 92 - 10 - 87/2.1=1, 71/2.1=1, 6020/5.0=1 HG3 LYS 68 - QD2 LEU 2 lone 3 73 - 4 - Peak 80 from cnoeabs.peaks (1.51, 0.81, 23.49 ppm; 2.95 A): 2 out of 12 assignments used, quality = 1.00: * HG LEU 2 + QD2 LEU 2 OK 100 100 - 100 - 2.1=100 HB ILE 7 + QD2 LEU 2 OK 47 97 - 48 - 88/2.1=6, 2.9/82=5...(30) HG LEU 57 - QD2 LEU 2 OK 28 81 - 35 - 4.3/8048=10, 88/2.1=3...(17) HB3 LEU 103 - QD2 LEU 2 OK 26 96 - 27 - 88/2.1=3, ~4477=2...(13) HB2 LEU 14 - QD2 LEU 2 OK 22 97 - 23 - 88/2.1=3, 56/3.1=2...(8) HG3 LYS 24 - QD2 LEU 2 OK 11 97 - 11 - 88/2.1=1 HG3 LYS 13 - QD2 LEU 2 poor 7 65 - 11 - 1.8/10394=2, 3.0/78=1, 3.0/78=1 HG LEU 6 - QD2 LEU 2 lone 7 92 - 7 - HG12 ILE 56 - QD2 LEU 2 lone 6 73 - 8 - HG3 ARG 30 - QD2 LEU 2 lone 5 77 - 7 - 2.9/8716=1 HG3 LYS 33 - QD2 LEU 2 lone 3 90 - 3 - HG2 ARG 79 - QD2 LEU 2 lone 2 61 - 4 - 4.7/76=1 Peak 81 from cnoeabs.peaks (0.81, 0.81, 23.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 2 + QD2 LEU 2 OK 100 100 - 100 Peak 82 from cnoeabs.peaks (0.88, 0.81, 23.49 ppm; 2.79 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 2 + QD2 LEU 2 OK 100 100 - 100 - 2.1=100 HG13 ILE 7 - QD2 LEU 2 OK 38 90 - 43 - 74/2.1=5, 2.9/80=4...(21) QG2 ILE 76 - QD2 LEU 2 OK 36 100 - 36 - 3431=6, 74/2.1=4...(15) HG13 ILE 8 - QD2 LEU 2 OK 16 99 - 16 - 74/2.1=2, 58/3.1=2...(5) QD1 LEU 103 - QD2 LEU 2 OK 14 65 - 22 - 74/2.1=2, 3.1/80=2...(8) Peak 83 from cnoeabs.peaks (7.84, 0.81, 23.49 ppm; 3.90 A): 3 out of 3 assignments used, quality = 0.92: * H LEU 3 + QD2 LEU 2 OK 78 100 - 78 - 5.0=49, 3.6/77=31...(6) H LYS 73 + QD2 LEU 2 OK 49 100 - 50 - 9577=9, 3.0/12297=7...(12) H ASN 26 + QD2 LEU 2 OK 30 99 - 30 - 67/3.1=6, 75/2.1=5...(8) Peak 84 from cnoeabs.peaks (8.51, 0.88, 24.80 ppm; 4.58 A): 1 out of 4 assignments used, quality = 0.97: * H LEU 2 + QD1 LEU 2 OK 97 100 - 97 - 4.7=93, ~77=27...(8) H ARG 79 - QD1 LEU 2 OK 33 92 - 35 - 68/2.1=7, 76/2.1=6...(8) H THR 31 - QD1 LEU 2 OK 24 84 - 29 - 68/2.1=7, 76/2.1=5...(6) H VAL 54 - QD1 LEU 2 OK 17 61 - 28 - 4.0/11070=5, ~10651=3...(9) Peak 85 from cnoeabs.peaks (4.46, 0.88, 24.80 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 2 + QD1 LEU 2 OK 100 100 - 100 - 4.0=100 Peak 86 from cnoeabs.peaks (1.70, 0.88, 24.80 ppm; 3.25 A): 1 out of 16 assignments used, quality = 1.00: * HB2 LEU 2 + QD1 LEU 2 OK 100 100 - 100 - 3.1=100 HG12 ILE 15 - QD1 LEU 2 OK 29 96 - 30 - 1.8/10118=5, 78/2.1=3...(12) HG LEU 70 - QD1 LEU 2 OK 27 100 - 27 - 70/2.1=3, 78/2.1=3...(10) HB3 LEU 70 - QD1 LEU 2 OK 21 81 - 26 - 70/2.1=2, 78/2.1=2...(10) HG2 PRO 86 - QD1 LEU 2 OK 17 94 - 18 - 1.8/8054=3, 70/2.1=2...(7) HD3 LYS 13 - QD1 LEU 2 OK 14 100 - 14 - 70/2.1=2, 78/2.1=2...(4) HD2 LYS 13 - QD1 LEU 2 OK 14 100 - 14 - 70/2.1=2, 78/2.1=2...(4) HD3 LYS 24 - QD1 LEU 2 OK 13 99 - 13 - 70/2.1=2, 78/2.1=1...(4) HD2 LYS 24 - QD1 LEU 2 OK 12 98 - 13 - 70/2.1=2, 78/2.1=1...(4) HD3 LYS 12 - QD1 LEU 2 lone 9 100 - 9 - 78/2.1=1, 70/2.1=1 HD2 LYS 12 - QD1 LEU 2 lone 9 100 - 9 - 78/2.1=1, 70/2.1=1 HD3 LYS 66 - QD1 LEU 2 lone 9 100 - 9 - 10782/2.1=1, ~12319=1 HB3 LYS 53 - QD1 LEU 2 lone 7 73 - 9 - 4.4/84=1, 3.0/12039=1 HB3 LYS 40 - QD1 LEU 2 lone 5 65 - 8 - 3.0/10124=1, 4.3/8868=1 HD3 LYS 90 - QD1 LEU 2 lone 5 99 - 5 - HB3 ARG 91 - QD1 LEU 2 lone 4 61 - 7 - 3.0/10124=1 Peak 87 from cnoeabs.peaks (1.33, 0.88, 24.80 ppm; 3.23 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LEU 2 + QD1 LEU 2 OK 100 100 - 100 - 3.1=100 HG2 LYS 94 - QD1 LEU 2 OK 22 98 - 22 - 79/2.1=3, 71/2.1=3...(8) QB ALA 25 - QD1 LEU 2 OK 18 98 - 18 - 79/2.1=3, 71/2.1=3...(7) HG LEU 14 - QD1 LEU 2 OK 17 70 - 24 - 71/2.1=3, 79/2.1=2...(10) HB3 LEU 27 - QD1 LEU 2 OK 15 90 - 17 - 1.8/12039=3, 79/2.1=2...(7) HG2 LYS 39 - QD1 LEU 2 OK 13 87 - 15 - 79/2.1=2, 1.8/12039=2...(5) QB ALA 67 - QD1 LEU 2 OK 13 99 - 13 - 9526/2.1=3, 71/2.1=2...(4) QB ALA 89 - QD1 LEU 2 OK 13 98 - 13 - 79/2.1=2, 71/2.1=2...(5) HB2 LYS 82 - QD1 LEU 2 lone 9 92 - 9 - 79/2.1=1, 71/2.1=1, 6020/5.0=1 HG3 LYS 68 - QD1 LEU 2 lone 2 73 - 3 - Peak 88 from cnoeabs.peaks (1.51, 0.88, 24.80 ppm; 2.92 A): 2 out of 12 assignments used, quality = 1.00: * HG LEU 2 + QD1 LEU 2 OK 100 100 - 100 - 2.1=100 HB ILE 7 + QD1 LEU 2 OK 45 97 - 47 - 80/2.1=5, 2.1/89=4...(31) HB3 LEU 103 - QD1 LEU 2 OK 25 96 - 26 - 80/2.1=3, ~4477=2...(12) HG LEU 57 - QD1 LEU 2 OK 22 81 - 28 - 80/2.1=3, 3.0/12133=3...(16) HB2 LEU 14 - QD1 LEU 2 OK 22 97 - 23 - 80/2.1=3, 56/3.1=2...(6) HG3 LYS 24 - QD1 LEU 2 lone 10 97 - 10 - 80/2.1=1 HG LEU 6 - QD1 LEU 2 lone 7 92 - 7 - HG12 ILE 56 - QD1 LEU 2 lone 6 73 - 8 - HG3 LYS 13 - QD1 LEU 2 lone 6 65 - 9 - ~10394=1 HG3 ARG 30 - QD1 LEU 2 lone 5 77 - 6 - HG2 ARG 79 - QD1 LEU 2 lone 2 61 - 4 - 4.7/84=2 HG3 LYS 33 - QD1 LEU 2 lone 2 90 - 2 - Peak 89 from cnoeabs.peaks (0.81, 0.88, 24.80 ppm; 2.74 A): 1 out of 10 assignments used, quality = 1.00: * QD2 LEU 2 + QD1 LEU 2 OK 100 100 - 100 - 2.1=100 QG2 ILE 7 - QD1 LEU 2 OK 39 92 - 42 - 2.1/88=5, 73/2.1=4...(23) QD1 ILE 76 - QD1 LEU 2 OK 34 96 - 35 - 3452=7, 10286/3.1=5...(15) QD2 LEU 57 - QD1 LEU 2 OK 22 84 - 26 - 2.1/88=2, 73/2.1=2...(13) QD2 LEU 70 - QD1 LEU 2 OK 21 100 - 21 - 2.1/86=2, 73/2.1=2...(8) QG2 ILE 15 - QD1 LEU 2 OK 20 100 - 20 - 3.2/10118=3, 73/2.1=2...(6) QD1 LEU 70 - QD1 LEU 2 OK 20 97 - 21 - 2.1/86=2, 73/2.1=2...(8) QD1 LEU 57 - QD1 LEU 2 OK 14 61 - 23 - 2.1/88=2, 3.1/12133=2...(10) QD2 LEU 103 - QD1 LEU 2 OK 13 65 - 20 - 3.1/88=2, 4501/2.1=2...(6) QD2 LEU 38 - QD1 LEU 2 lone 8 81 - 10 - 2.1/12039=2, 3.1/12039=2...(4) Peak 90 from cnoeabs.peaks (0.88, 0.88, 24.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 2 + QD1 LEU 2 OK 100 100 - 100 Peak 91 from cnoeabs.peaks (7.84, 0.88, 24.80 ppm; 5.10 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 3 + QD1 LEU 2 OK 100 100 - 100 - 5.0=100 H LYS 73 + QD1 LEU 2 OK 62 100 - 63 - 83/2.1=15, 75/2.1=12...(10) H ASN 26 - QD1 LEU 2 OK 45 99 - 45 - 67/3.1=10, 83/2.1=9...(8) Peak 92 from cnoeabs.peaks (7.84, 5.13, 53.57 ppm; 4.33 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 3 + HA LEU 3 OK 100 100 - 100 - 3.0=100 H ASN 26 - HA LEU 3 OK 35 99 - 35 - 108/3.0=7, 100/3.0=7...(7) H LYS 73 - HA LEU 3 OK 32 100 - 32 - 100/3.0=6, 108/3.0=6...(7) Peak 93 from cnoeabs.peaks (5.13, 5.13, 53.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 3 + HA LEU 3 OK 100 100 - 100 Peak 94 from cnoeabs.peaks (1.55, 5.13, 53.57 ppm; 4.02 A): 3 out of 7 assignments used, quality = 1.00: * HB2 LEU 3 + HA LEU 3 OK 100 100 - 100 - 3.0=100 HD3 LYS 53 + HA LEU 3 OK 64 100 - 64 - 3.6/9202=9, 110/3.0=9...(19) HD3 LYS 82 + HA LEU 3 OK 46 84 - 55 - 3708/3.0=7, 2.9/95=6...(22) HB3 GLU 28 - HA LEU 3 OK 26 92 - 28 - 6034/3.6=5, 6025/3.0=4...(10) HG2 LYS 33 - HA LEU 3 OK 18 99 - 18 - 10522/3.0=3, 3.0/8106=2...(9) HG3 ARG 79 - HA LEU 3 lone 5 65 - 7 - HG2 ARG 79 - HA LEU 3 lone 4 61 - 6 - Peak 95 from cnoeabs.peaks (1.15, 5.13, 53.57 ppm; 3.89 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 3 + HA LEU 3 OK 100 100 - 100 - 3.0=100 HG3 LYS 82 + HA LEU 3 OK 47 87 - 55 - 103/3.0=7, 119/3.7=5...(23) HG2 LYS 40 - HA LEU 3 OK 36 96 - 38 - 103/3.0=5, 127/3.9=5...(13) HB2 LEU 29 - HA LEU 3 OK 35 92 - 39 - 103/3.0=5, 6035/3.6=4...(14) QG2 THR 31 - HA LEU 3 OK 20 94 - 21 - 6026/3.0=3, 4.0/8064=2...(10) Peak 96 from cnoeabs.peaks (1.30, 5.13, 53.57 ppm; 4.35 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 3 + HA LEU 3 OK 100 100 - 100 - 3.7=100 HB3 LEU 42 - HA LEU 3 OK 37 99 - 37 - 104/3.0=7, 112/3.0=7...(7) HG2 ARG 30 - HA LEU 3 OK 35 99 - 36 - 6027/3.0=7, 112/3.0=6...(8) HG2 LYS 90 - HA LEU 3 OK 22 87 - 26 - 104/3.0=5, 112/3.0=5...(6) Peak 97 from cnoeabs.peaks (0.26, 5.13, 53.57 ppm; 3.52 A): 1 out of 1 assignment used, quality = 0.92: * QD2 LEU 3 + HA LEU 3 OK 92 100 - 92 - 3.9=72, 6037/3.6=21...(20) Peak 98 from cnoeabs.peaks (0.46, 5.13, 53.57 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 3 + HA LEU 3 OK 100 100 - 100 - 3.9=100 Peak 99 from cnoeabs.peaks (8.36, 5.13, 53.57 ppm; 3.17 A): 3 out of 3 assignments used, quality = 0.92: * H TYR 4 + HA LEU 3 OK 88 100 - 88 - 3.6=70, 6037/3.9=15...(17) H ILE 93 + HA LEU 3 OK 21 100 - 21 - 131/3.9=3, 107/3.0=3...(7) H GLU 95 + HA LEU 3 OK 16 100 - 16 - 131/3.9=3, 115/3.0=3...(6) Peak 100 from cnoeabs.peaks (7.84, 1.55, 44.04 ppm; 4.02 A): 1 out of 3 assignments used, quality = 0.99: * H LEU 3 + HB2 LEU 3 OK 99 100 - 99 - 4.0=99 H ASN 26 - HB2 LEU 3 OK 31 99 - 31 - 108/1.8=7, 116/3.0=6...(7) H LYS 73 - HB2 LEU 3 OK 30 100 - 30 - 108/1.8=7, 116/3.0=6...(7) Peak 101 from cnoeabs.peaks (5.13, 1.55, 44.04 ppm; 4.15 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 3 + HB2 LEU 3 OK 100 100 - 100 - 3.0=100 HA TYR 4 + HB2 LEU 3 OK 63 77 - 82 - ~6037=14, 3.0/6034=12...(21) HA ILE 7 + HB2 LEU 3 OK 53 100 - 53 - 109/1.8=9, 125/3.1=7...(16) HA SER 85 - HB2 LEU 3 OK 16 96 - 16 - 109/1.8=3, 125/3.1=2...(8) Peak 102 from cnoeabs.peaks (1.55, 1.55, 44.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 3 + HB2 LEU 3 OK 100 100 - 100 Peak 103 from cnoeabs.peaks (1.15, 1.55, 44.04 ppm; 3.21 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 3 + HB2 LEU 3 OK 100 100 - 100 - 1.8=100 HG3 LYS 82 + HB2 LEU 3 OK 46 87 - 53 - ~3675=5, 119/3.0=4...(26) HG2 LYS 40 - HB2 LEU 3 OK 33 96 - 35 - 127/3.1=4, ~1821=4...(15) HB2 LEU 29 - HB2 LEU 3 OK 30 92 - 33 - 3.1/10141=5, ~1281=4...(15) QG2 THR 31 - HB2 LEU 3 OK 12 94 - 13 - 95/3.0=2, 119/3.0=2...(8) Peak 104 from cnoeabs.peaks (1.30, 1.55, 44.04 ppm; 3.70 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 3 + HB2 LEU 3 OK 100 100 - 100 - 3.0=100 HB3 LEU 42 - HB2 LEU 3 OK 37 99 - 37 - 112/1.8=7, 136/3.1=6...(13) HG2 ARG 30 - HB2 LEU 3 OK 30 99 - 30 - 112/1.8=6, 136/3.1=4...(11) HG2 LYS 90 - HB2 LEU 3 OK 25 87 - 29 - 112/1.8=5, 128/3.1=4...(12) Peak 105 from cnoeabs.peaks (0.26, 1.55, 44.04 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 3 + HB2 LEU 3 OK 100 100 - 100 - 3.1=100 Peak 106 from cnoeabs.peaks (0.46, 1.55, 44.04 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 3 + HB2 LEU 3 OK 100 100 - 100 - 3.1=100 Peak 107 from cnoeabs.peaks (8.36, 1.55, 44.04 ppm; 5.05 A): 2 out of 3 assignments used, quality = 1.00: * H TYR 4 + HB2 LEU 3 OK 100 100 - 100 - 4.4=100 H ILE 93 + HB2 LEU 3 OK 56 100 - 56 - 4.6/10999=12, 115/1.8=10...(10) H GLU 95 - HB2 LEU 3 OK 42 100 - 42 - 115/1.8=9, 139/3.1=8...(7) Peak 108 from cnoeabs.peaks (7.84, 1.15, 44.04 ppm; 4.38 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 3 + HB3 LEU 3 OK 100 100 - 100 - 4.0=100 H ASN 26 - HB3 LEU 3 OK 37 99 - 37 - 100/1.8=8, 116/3.0=7...(7) H LYS 73 - HB3 LEU 3 OK 35 100 - 35 - 100/1.8=8, 116/3.0=7...(6) Peak 109 from cnoeabs.peaks (5.13, 1.15, 44.04 ppm; 4.12 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 3 + HB3 LEU 3 OK 100 100 - 100 - 3.0=100 HA TYR 4 + HB3 LEU 3 OK 61 77 - 80 - 3.0/6035=16, ~6037=14...(20) HA ILE 7 + HB3 LEU 3 OK 55 100 - 55 - 101/1.8=9, 3.0/8282=8...(16) HA SER 85 - HB3 LEU 3 OK 16 96 - 16 - 101/1.8=3, 125/3.1=2...(7) Peak 110 from cnoeabs.peaks (1.55, 1.15, 44.04 ppm; 3.17 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 3 + HB3 LEU 3 OK 100 100 - 100 - 1.8=100 HD3 LYS 53 + HB3 LEU 3 OK 54 100 - 55 - ~9192=11, 126/3.1=6...(20) HD3 LYS 82 - HB3 LEU 3 OK 44 84 - 53 - 3708=6, 2.9/3675=5...(28) HB3 GLU 28 - HB3 LEU 3 OK 18 92 - 20 - 6034/4.4=2, 4.6/6468=2...(10) HG2 LYS 33 - HB3 LEU 3 OK 11 99 - 11 - 94/3.0=1, ~1461=1 HG3 ARG 79 - HB3 LEU 3 lone 3 65 - 5 - HG2 ARG 79 - HB3 LEU 3 lone 3 61 - 4 - Peak 111 from cnoeabs.peaks (1.15, 1.15, 44.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 3 + HB3 LEU 3 OK 100 100 - 100 Peak 112 from cnoeabs.peaks (1.30, 1.15, 44.04 ppm; 3.73 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 3 + HB3 LEU 3 OK 100 100 - 100 - 3.0=100 HB3 LEU 42 - HB3 LEU 3 OK 38 99 - 38 - 104/1.8=7, 136/3.1=6...(13) HG2 ARG 30 - HB3 LEU 3 OK 32 99 - 33 - 104/1.8=6, 136/3.1=4...(12) HG2 LYS 90 - HB3 LEU 3 OK 25 87 - 29 - 104/1.8=5, 128/3.1=4...(12) Peak 113 from cnoeabs.peaks (0.26, 1.15, 44.04 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 3 + HB3 LEU 3 OK 100 100 - 100 - 3.1=100 Peak 114 from cnoeabs.peaks (0.46, 1.15, 44.04 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 3 + HB3 LEU 3 OK 100 100 - 100 - 3.1=100 Peak 115 from cnoeabs.peaks (8.36, 1.15, 44.04 ppm; 4.89 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 4 + HB3 LEU 3 OK 100 100 - 100 - 4.4=100 H ILE 93 - HB3 LEU 3 OK 44 100 - 45 - 107/1.8=11, 131/3.1=9...(6) H GLU 95 - HB3 LEU 3 OK 38 100 - 38 - 107/1.8=8, 131/3.1=8...(6) Peak 116 from cnoeabs.peaks (7.84, 1.30, 27.70 ppm; 3.89 A): 3 out of 3 assignments used, quality = 0.94: * H LEU 3 + HG LEU 3 OK 88 100 - 89 - 5.0=48, 6029/2.1=32...(8) H LYS 73 + HG LEU 3 OK 29 100 - 29 - 132/2.1=7, 124/2.1=6...(6) H ASN 26 + HG LEU 3 OK 28 99 - 29 - 132/2.1=7, 124/2.1=6...(5) Peak 117 from cnoeabs.peaks (5.13, 1.30, 27.70 ppm; 3.99 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 3 + HG LEU 3 OK 100 100 - 100 - 3.7=100 HA TYR 4 + HG LEU 3 OK 54 77 - 70 - ~6037=18, ~6038=14...(13) HA ILE 7 - HG LEU 3 OK 42 100 - 42 - 125/2.1=8, 133/2.1=7...(11) HA SER 85 - HG LEU 3 OK 12 96 - 12 - 125/2.1=3, 133/2.1=2...(5) Peak 118 from cnoeabs.peaks (1.55, 1.30, 27.70 ppm; 3.40 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 3 + HG LEU 3 OK 100 100 - 100 - 3.0=100 HD3 LYS 53 + HG LEU 3 OK 67 100 - 67 - ~9192=17, 126/2.1=10...(21) HD3 LYS 82 - HG LEU 3 OK 39 84 - 47 - 3708/3.0=5, 134/2.1=5...(23) HB3 GLU 28 - HG LEU 3 OK 17 92 - 18 - 4.6/8665=3, 126/2.1=2...(8) HG2 LYS 33 - HG LEU 3 lone 10 99 - 10 - 10522/3.0=2, 126/2.1=1...(4) HG3 ARG 79 - HG LEU 3 lone 4 65 - 5 - HG2 ARG 79 - HG LEU 3 lone 3 61 - 5 - Peak 119 from cnoeabs.peaks (1.15, 1.30, 27.70 ppm; 3.41 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 3 + HG LEU 3 OK 100 100 - 100 - 3.0=100 HG3 LYS 82 - HG LEU 3 OK 41 87 - 47 - 135/2.1=6, 127/2.1=6...(20) HG2 LYS 40 - HG LEU 3 OK 36 96 - 37 - 127/2.1=6, 135/2.1=6...(14) HB2 LEU 29 - HG LEU 3 OK 29 92 - 32 - 135/2.1=4, 127/2.1=4...(14) QG2 THR 31 - HG LEU 3 OK 14 94 - 15 - 4.0/6495=3, 127/2.1=2...(7) Peak 120 from cnoeabs.peaks (1.30, 1.30, 27.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 3 + HG LEU 3 OK 100 100 - 100 Peak 121 from cnoeabs.peaks (0.26, 1.30, 27.70 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 3 + HG LEU 3 OK 100 100 - 100 - 2.1=100 Peak 122 from cnoeabs.peaks (0.46, 1.30, 27.70 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 3 + HG LEU 3 OK 100 100 - 100 - 2.1=100 Peak 123 from cnoeabs.peaks (8.36, 1.30, 27.70 ppm; 4.97 A): 2 out of 3 assignments used, quality = 0.98: * H TYR 4 + HG LEU 3 OK 95 100 - 95 - 6037/2.1=47, 6038/2.1=38...(18) H ILE 93 + HG LEU 3 OK 50 100 - 51 - 131/2.1=11, 139/2.1=10...(8) H GLU 95 - HG LEU 3 OK 41 100 - 41 - 139/2.1=9, 131/2.1=9...(7) Peak 124 from cnoeabs.peaks (7.84, 0.26, 24.15 ppm; 4.47 A): 1 out of 3 assignments used, quality = 0.98: * H LEU 3 + QD2 LEU 3 OK 98 100 - 98 - 4.7=85, 6029/2.1=40...(7) H ASN 26 - QD2 LEU 3 OK 39 99 - 39 - 132/2.1=9, 116/2.1=8...(8) H LYS 73 - QD2 LEU 3 OK 38 100 - 38 - 132/2.1=9, 116/2.1=8...(8) Peak 125 from cnoeabs.peaks (5.13, 0.26, 24.15 ppm; 3.28 A): 4 out of 4 assignments used, quality = 0.95: * HA LEU 3 + QD2 LEU 3 OK 85 100 - 85 - 3.9=58, 3.6/6037=18...(16) HA TYR 4 + QD2 LEU 3 OK 44 77 - 57 - 3.0/6037=21, ~6038=9...(15) HA ILE 7 + QD2 LEU 3 OK 32 100 - 32 - 117/2.1=5, 133/2.1=5...(14) HA SER 85 + QD2 LEU 3 OK 10 96 - 10 - 133/2.1=2, 117/2.1=1...(4) Peak 126 from cnoeabs.peaks (1.55, 0.26, 24.15 ppm; 3.55 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 3 + QD2 LEU 3 OK 100 100 - 100 - 3.1=100 HD3 LYS 53 + QD2 LEU 3 OK 82 100 - 82 - 3.6/9186=19, 1.8/9192=19...(27) HD3 LYS 82 - QD2 LEU 3 OK 44 84 - 53 - 118/2.1=6, 134/2.1=6...(26) HB3 GLU 28 - QD2 LEU 3 OK 19 92 - 21 - 6034/5.0=3, 118/2.1=2...(10) HG2 LYS 33 - QD2 LEU 3 OK 12 99 - 12 - 10522/3.1=2, 134/2.1=2...(4) HG3 ARG 79 - QD2 LEU 3 lone 4 65 - 6 - HG2 ARG 79 - QD2 LEU 3 lone 4 61 - 6 - Peak 127 from cnoeabs.peaks (1.15, 0.26, 24.15 ppm; 3.64 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 3 + QD2 LEU 3 OK 100 100 - 100 - 3.1=100 HG3 LYS 82 + QD2 LEU 3 OK 47 87 - 54 - 119/2.1=7, 135/2.1=7...(24) HG2 LYS 40 - QD2 LEU 3 OK 45 96 - 47 - 135/2.1=6, 119/2.1=6...(20) HB2 LEU 29 - QD2 LEU 3 OK 31 92 - 34 - 119/2.1=5, 135/2.1=4...(15) QG2 THR 31 - QD2 LEU 3 OK 15 94 - 16 - 119/2.1=2, 135/2.1=2...(8) Peak 128 from cnoeabs.peaks (1.30, 0.26, 24.15 ppm; 3.24 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 3 + QD2 LEU 3 OK 100 100 - 100 - 2.1=100 HB3 LEU 42 - QD2 LEU 3 OK 35 99 - 35 - 136/2.1=6, 104/3.1=4...(14) HG2 LYS 90 - QD2 LEU 3 OK 26 87 - 30 - 2.8/8115=5, 136/2.1=4...(14) HG2 ARG 30 - QD2 LEU 3 OK 25 99 - 25 - 136/2.1=4, 112/3.1=3...(11) Peak 129 from cnoeabs.peaks (0.26, 0.26, 24.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 3 + QD2 LEU 3 OK 100 100 - 100 Peak 130 from cnoeabs.peaks (0.46, 0.26, 24.15 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 3 + QD2 LEU 3 OK 100 100 - 100 - 2.1=100 Peak 131 from cnoeabs.peaks (8.36, 0.26, 24.15 ppm; 4.16 A): 2 out of 3 assignments used, quality = 0.97: * H TYR 4 + QD2 LEU 3 OK 94 100 - 94 - 5.0=58, 3.6/97=32...(20) H ILE 93 + QD2 LEU 3 OK 40 100 - 41 - 123/2.1=7, 139/2.1=7...(11) H GLU 95 - QD2 LEU 3 OK 35 100 - 35 - 139/2.1=7, 123/2.1=6...(10) Peak 132 from cnoeabs.peaks (7.84, 0.46, 24.71 ppm; 4.04 A): 2 out of 3 assignments used, quality = 0.95: * H LEU 3 + QD1 LEU 3 OK 93 100 - 93 - 4.7=63, 6028/2.1=31...(11) H LYS 73 + QD1 LEU 3 OK 33 100 - 33 - 116/2.1=7, 124/2.1=7...(9) H ASN 26 - QD1 LEU 3 OK 33 99 - 33 - 116/2.1=7, 124/2.1=7...(8) Peak 133 from cnoeabs.peaks (5.13, 0.46, 24.71 ppm; 4.11 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 3 + QD1 LEU 3 OK 100 100 - 100 - 3.9=100 HA TYR 4 + QD1 LEU 3 OK 58 77 - 76 - 3.0/6038=23, ~6037=19...(16) HA ILE 7 - QD1 LEU 3 OK 45 100 - 45 - 125/2.1=8, 117/2.1=7...(13) HA SER 85 - QD1 LEU 3 OK 15 96 - 15 - 125/2.1=3, 117/2.1=2...(6) Peak 134 from cnoeabs.peaks (1.55, 0.46, 24.71 ppm; 3.50 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 3 + QD1 LEU 3 OK 100 100 - 100 - 3.1=100 HD3 LYS 53 + QD1 LEU 3 OK 70 100 - 70 - ~9192=18, 126/2.1=10...(25) HD3 LYS 82 - QD1 LEU 3 OK 41 84 - 49 - 118/2.1=6, 3708/3.1=6...(25) HB3 GLU 28 - QD1 LEU 3 OK 17 92 - 19 - 6034/5.0=3, 118/2.1=2...(8) HG2 LYS 33 - QD1 LEU 3 OK 11 99 - 10 - 10522/3.1=2, 126/2.1=2...(4) HG3 ARG 79 - QD1 LEU 3 lone 4 65 - 5 - HG2 ARG 79 - QD1 LEU 3 lone 3 61 - 5 - Peak 135 from cnoeabs.peaks (1.15, 0.46, 24.71 ppm; 3.60 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 3 + QD1 LEU 3 OK 100 100 - 100 - 3.1=100 HG3 LYS 82 + QD1 LEU 3 OK 45 87 - 52 - 119/2.1=7, 127/2.1=7...(24) HG2 LYS 40 - QD1 LEU 3 OK 42 96 - 44 - 127/2.1=6, 119/2.1=6...(19) HB2 LEU 29 - QD1 LEU 3 OK 30 92 - 33 - 119/2.1=5, 127/2.1=4...(14) QG2 THR 31 - QD1 LEU 3 OK 14 94 - 15 - 119/2.1=2, 127/2.1=2...(8) Peak 136 from cnoeabs.peaks (1.30, 0.46, 24.71 ppm; 3.25 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 3 + QD1 LEU 3 OK 100 100 - 100 - 2.1=100 HB3 LEU 42 - QD1 LEU 3 OK 34 99 - 34 - 128/2.1=6, 3.0/8094=4...(13) HG2 ARG 30 - QD1 LEU 3 OK 25 99 - 25 - 128/2.1=4, 112/3.1=3...(11) HG2 LYS 90 - QD1 LEU 3 OK 23 87 - 26 - 128/2.1=5, 104/3.1=3...(15) Peak 137 from cnoeabs.peaks (0.26, 0.46, 24.71 ppm; 2.88 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 3 + QD1 LEU 3 OK 100 100 - 100 - 2.1=100 Peak 138 from cnoeabs.peaks (0.46, 0.46, 24.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 3 + QD1 LEU 3 OK 100 100 - 100 Peak 139 from cnoeabs.peaks (8.36, 0.46, 24.71 ppm; 5.05 A): 3 out of 3 assignments used, quality = 1.00: * H TYR 4 + QD1 LEU 3 OK 100 100 - 100 - 5.0=100 H ILE 93 + QD1 LEU 3 OK 58 100 - 58 - 131/2.1=11, 123/2.1=10...(15) H GLU 95 + QD1 LEU 3 OK 53 100 - 53 - 131/2.1=10, 4.5/8076=9...(14) Peak 140 from cnoeabs.peaks (8.36, 5.14, 56.58 ppm; 4.65 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 4 + HA TYR 4 OK 100 100 - 100 - 3.0=100 H ILE 93 - HA TYR 4 OK 37 100 - 37 - 147/3.0=7, 154/3.0=7...(12) H GLU 95 - HA TYR 4 OK 24 100 - 23 - 147/3.0=5, 154/3.0=4...(4) Peak 141 from cnoeabs.peaks (5.14, 5.14, 56.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 4 + HA TYR 4 OK 100 100 - 100 Peak 142 from cnoeabs.peaks (2.29, 5.14, 56.58 ppm; 4.31 A): 1 out of 5 assignments used, quality = 1.00: * HB2 TYR 4 + HA TYR 4 OK 100 100 - 100 - 3.0=100 HD3 ARG 81 - HA TYR 4 OK 24 70 - 35 - 1.8/10366=9, 3.4/8140=5...(13) HB2 GLU 48 - HA TYR 4 OK 18 97 - 18 - 6040/3.0=3, 156/3.0=3...(5) HG2 GLU 63 - HA TYR 4 OK 15 99 - 15 - 6040/3.0=3, 156/3.0=3 HG3 GLU 16 - HA TYR 4 OK 10 97 - 10 - 6040/3.0=2, 156/3.0=2 Peak 143 from cnoeabs.peaks (2.46, 5.14, 56.58 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 4 + HA TYR 4 OK 100 100 - 100 - 3.0=100 HG3 GLU 98 - HA TYR 4 lone 7 77 - 9 - 150/3.0=2, 6041/3.0=2...(4) Peak 144 from cnoeabs.peaks (6.43, 5.14, 56.58 ppm; 4.03 A): 3 out of 4 assignments used, quality = 1.00: * HD1 TYR 4 + HA TYR 4 OK 93 100 - 93 - 4.2=87, 6042/3.0=10...(13) HD2 TYR 4 + HA TYR 4 OK 90 100 - 90 - 4.3=81, 6042/3.0=10...(13) HE1 TYR 4 + HA TYR 4 OK 45 87 - 52 - 6.3=26, 8129/3.0=7...(10) HE2 TYR 4 - HA TYR 4 OK 41 81 - 51 - 6.4=25, 8129/3.0=7...(10) Peak 146 from cnoeabs.peaks (8.92, 5.14, 56.58 ppm; 3.14 A): 2 out of 3 assignments used, quality = 0.87: * H VAL 5 + HA TYR 4 OK 84 100 - 84 - 3.6=69, 6049/3.0=18...(12) H LEU 57 + HA TYR 4 OK 14 90 - 16 - 160/3.0=3, 153/3.0=3...(4) H ARG 19 - HA TYR 4 lone 4 65 - 6 - Peak 147 from cnoeabs.peaks (8.36, 2.29, 43.84 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 4 + HB2 TYR 4 OK 100 100 - 100 - 3.8=100 H ILE 93 - HB2 TYR 4 OK 29 100 - 29 - 154/1.8=7, 140/3.0=6...(13) H GLU 95 - HB2 TYR 4 OK 18 100 - 18 - 154/1.8=5, 140/3.0=4...(4) Peak 148 from cnoeabs.peaks (5.14, 2.29, 43.84 ppm; 3.86 A): 2 out of 5 assignments used, quality = 1.00: * HA TYR 4 + HB2 TYR 4 OK 100 100 - 100 - 3.0=100 HA VAL 54 + HB2 TYR 4 OK 57 73 - 78 - 3.2/9239=18, ~9245=14...(21) HA LEU 3 - HB2 TYR 4 OK 34 77 - 45 - 3.6/6040=21, 155/1.8=5...(12) HA ILE 7 - HB2 TYR 4 OK 19 87 - 22 - 8239/4.6=5, 155/1.8=3...(8) HA SER 85 - HB2 TYR 4 lone 8 97 - 8 - 155/1.8=1 Peak 149 from cnoeabs.peaks (2.29, 2.29, 43.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 4 + HB2 TYR 4 OK 100 100 - 100 Peak 150 from cnoeabs.peaks (2.46, 2.29, 43.84 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 4 + HB2 TYR 4 OK 100 100 - 100 - 1.8=100 HG3 GLU 98 - HB2 TYR 4 lone 5 77 - 6 - 143/3.0=1 Peak 151 from cnoeabs.peaks (6.43, 2.29, 43.84 ppm; 3.80 A): 3 out of 4 assignments used, quality = 1.00: HD2 TYR 4 + HB2 TYR 4 OK 100 100 - 100 - 3.7=100 * HD1 TYR 4 + HB2 TYR 4 OK 100 100 - 100 - 3.7=100 HE1 TYR 4 + HB2 TYR 4 OK 46 87 - 53 - 5.4=34, 8129/1.8=6...(8) HE2 TYR 4 - HB2 TYR 4 OK 42 81 - 52 - 5.4=34, 8129/1.8=6...(8) Peak 153 from cnoeabs.peaks (8.92, 2.29, 43.84 ppm; 4.86 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 5 + HB2 TYR 4 OK 100 100 - 100 - 4.6=100 H LEU 57 - HB2 TYR 4 OK 27 90 - 30 - 160/1.8=8, 146/3.0=6...(8) H ARG 19 - HB2 TYR 4 poor 7 65 - 11 - 6044/3.8=2, 160/1.8=2...(4) Peak 154 from cnoeabs.peaks (8.36, 2.46, 43.84 ppm; 4.29 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 4 + HB3 TYR 4 OK 100 100 - 100 - 3.8=100 H ILE 93 - HB3 TYR 4 OK 29 100 - 29 - 147/1.8=8, 140/3.0=6...(12) H GLU 95 - HB3 TYR 4 OK 18 100 - 18 - 147/1.8=5, 140/3.0=4, 6046/4.6=2 Peak 155 from cnoeabs.peaks (5.14, 2.46, 43.84 ppm; 3.78 A): 2 out of 5 assignments used, quality = 1.00: * HA TYR 4 + HB3 TYR 4 OK 100 100 - 100 - 3.0=100 HA VAL 54 + HB3 TYR 4 OK 54 73 - 74 - 3.2/9245=19, 3.2/8148=12...(20) HA LEU 3 - HB3 TYR 4 OK 28 77 - 37 - 99/3.8=12, 148/1.8=6...(12) HA ILE 7 - HB3 TYR 4 OK 19 87 - 21 - 8239/4.6=5, 148/1.8=3...(7) HA SER 85 - HB3 TYR 4 lone 7 97 - 7 - 148/1.8=1 Peak 156 from cnoeabs.peaks (2.29, 2.46, 43.84 ppm; 3.22 A): 1 out of 5 assignments used, quality = 1.00: * HB2 TYR 4 + HB3 TYR 4 OK 100 100 - 100 - 1.8=100 HD3 ARG 81 - HB3 TYR 4 OK 13 70 - 18 - ~10366=3, 142/3.0=2...(9) HB2 GLU 48 - HB3 TYR 4 OK 11 97 - 11 - 142/3.0=2, 6040/3.8=2 HG2 GLU 63 - HB3 TYR 4 lone 9 99 - 9 - 142/3.0=1, 6040/3.8=1 HG3 GLU 16 - HB3 TYR 4 lone 6 97 - 6 - 142/3.0=1 Peak 157 from cnoeabs.peaks (2.46, 2.46, 43.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 4 + HB3 TYR 4 OK 100 100 - 100 Peak 158 from cnoeabs.peaks (6.43, 2.46, 43.84 ppm; 3.76 A): 2 out of 4 assignments used, quality = 1.00: HD2 TYR 4 + HB3 TYR 4 OK 100 100 - 100 - 3.7=100 * HD1 TYR 4 + HB3 TYR 4 OK 100 100 - 100 - 3.7=100 HE1 TYR 4 - HB3 TYR 4 OK 45 87 - 52 - 5.4=33, 4.3/8129=7...(7) HE2 TYR 4 - HB3 TYR 4 OK 41 81 - 51 - 5.4=33, 4.3/8129=7...(7) Peak 160 from cnoeabs.peaks (8.92, 2.46, 43.84 ppm; 4.42 A): 1 out of 3 assignments used, quality = 0.95: * H VAL 5 + HB3 TYR 4 OK 95 100 - 95 - 4.6=86, 146/3.0=35...(10) H LEU 57 - HB3 TYR 4 OK 22 90 - 24 - 153/1.8=7, 146/3.0=6...(7) H ARG 19 - HB3 TYR 4 lone 6 65 - 8 - 6044/3.8=2, 153/1.8=2, 146/3.0=2 Peak 161 from cnoeabs.peaks (8.92, 5.11, 59.85 ppm; 4.26 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 5 + HA VAL 5 OK 100 100 - 100 - 3.0=100 H LEU 57 + HA VAL 5 OK 63 90 - 71 - 9333/3.6=22, 4.5/9301=12...(17) H ARG 19 - HA VAL 5 OK 12 65 - 18 - 167/3.0=3, 179/3.2=3...(7) Peak 162 from cnoeabs.peaks (5.11, 5.11, 59.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 5 + HA VAL 5 OK 100 100 - 100 Peak 163 from cnoeabs.peaks (1.86, 5.11, 59.85 ppm; 4.26 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 5 + HA VAL 5 OK 100 100 - 100 - 3.0=100 HB3 LYS 68 - HA VAL 5 OK 25 92 - 27 - 6060/3.6=4, 181/3.2=4...(10) HB2 LYS 12 - HA VAL 5 OK 23 100 - 23 - 6053/3.0=3, 181/3.2=3...(8) HB3 LYS 12 - HA VAL 5 OK 22 99 - 22 - 6053/3.0=3, 181/3.2=3...(8) HB3 LYS 39 - HA VAL 5 OK 21 100 - 21 - 6053/3.0=3, 181/3.2=3...(9) HB3 LYS 66 - HA VAL 5 OK 14 100 - 13 - 6053/3.0=3, 181/3.2=2...(5) HB3 GLU 104 - HA VAL 5 lone 4 94 - 4 - Peak 164 from cnoeabs.peaks (0.73, 5.11, 59.85 ppm; 3.36 A): 1 out of 12 assignments used, quality = 1.00: * QG1 VAL 5 + HA VAL 5 OK 100 100 - 100 - 3.2=100 HG13 ILE 56 - HA VAL 5 OK 37 87 - 42 - 4.9/9301=6, 9313/3.6=5...(15) QD2 LEU 27 - HA VAL 5 OK 32 100 - 32 - ~8634=4, ~8633=4...(15) QG2 VAL 78 - HA VAL 5 OK 31 99 - 32 - 174=8, 10907/3.2=5...(11) HG3 ARG 81 - HA VAL 5 OK 27 84 - 32 - 3612/3.2=5, ~3603=4...(14) QD1 ILE 56 - HA VAL 5 OK 24 61 - 38 - 5.0/9301=6, 3.0/9306=4...(16) HG13 ILE 93 - HA VAL 5 OK 20 70 - 28 - ~10198=8, ~10017=6...(8) QG1 VAL 78 - HA VAL 5 OK 15 61 - 25 - 2.1/174=5, ~10907=2...(13) QG1 VAL 58 - HA VAL 5 OK 12 98 - 12 - ~9367=3, 10714/3.0=2...(4) QD2 LEU 14 - HA VAL 5 lone 4 65 - 7 - QD1 ILE 8 - HA VAL 5 lone 3 70 - 4 - QD1 LEU 64 - HA VAL 5 lone 2 77 - 3 - Peak 165 from cnoeabs.peaks (0.95, 5.11, 59.85 ppm; 3.51 A): 2 out of 4 assignments used, quality = 1.00: * QG2 VAL 5 + HA VAL 5 OK 100 100 - 100 - 3.2=100 HG LEU 55 + HA VAL 5 OK 52 65 - 79 - 3.0/8189=18, 2.1/9261=16...(22) HB2 ARG 81 - HA VAL 5 OK 30 81 - 37 - 171/3.0=5, ~3594=4...(14) QG2 VAL 83 - HA VAL 5 OK 11 70 - 15 - 2.1/8189=3, 6055/3.0=2...(6) Peak 166 from cnoeabs.peaks (9.31, 5.11, 59.85 ppm; 3.20 A): 2 out of 2 assignments used, quality = 0.91: * H LEU 6 + HA VAL 5 OK 89 100 - 89 - 3.6=73, 178/3.2=14...(16) H LYS 33 + HA VAL 5 OK 17 90 - 19 - 178/3.2=4, 6056/3.0=4...(7) Peak 167 from cnoeabs.peaks (8.92, 1.86, 33.82 ppm; 3.75 A): 2 out of 3 assignments used, quality = 0.96: * H VAL 5 + HB VAL 5 OK 93 100 - 93 - 3.9=85, 179/2.1=22...(10) H LEU 57 + HB VAL 5 OK 37 90 - 42 - 9333/4.4=14, 179/2.1=10...(7) H ARG 19 - HB VAL 5 OK 12 65 - 18 - 179/2.1=3, 8694/8173=3...(7) Peak 168 from cnoeabs.peaks (5.11, 1.86, 33.82 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 5 + HB VAL 5 OK 100 100 - 100 - 3.0=100 Peak 169 from cnoeabs.peaks (1.86, 1.86, 33.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 5 + HB VAL 5 OK 100 100 - 100 Peak 170 from cnoeabs.peaks (0.73, 1.86, 33.82 ppm; 3.18 A): 1 out of 12 assignments used, quality = 1.00: * QG1 VAL 5 + HB VAL 5 OK 100 100 - 100 - 2.1=100 QD2 LEU 27 - HB VAL 5 OK 37 100 - 37 - ~8634=6, ~8633=5...(12) QG2 VAL 78 - HB VAL 5 OK 31 99 - 32 - 10907/2.1=6, 175=4...(13) HG3 ARG 81 - HB VAL 5 OK 28 84 - 34 - 3612/2.1=6, ~3603=5...(15) HG13 ILE 56 - HB VAL 5 OK 23 87 - 26 - 9313/4.4=4, 2592/3.9=3...(9) HG13 ILE 93 - HB VAL 5 OK 19 70 - 28 - ~10198=9, ~10017=6...(6) QG1 VAL 78 - HB VAL 5 OK 16 61 - 26 - ~10907=3, 2.1/175=3...(14) QD1 ILE 56 - HB VAL 5 OK 13 61 - 21 - ~9328=3, ~9306=3...(10) QG1 VAL 58 - HB VAL 5 OK 11 98 - 11 - ~9367=3, 10714/3.9=2, 182/2.1=1 QD1 LEU 64 - HB VAL 5 lone 3 77 - 4 - QD2 LEU 14 - HB VAL 5 lone 3 65 - 4 - QD1 ILE 8 - HB VAL 5 lone 2 70 - 3 - Peak 171 from cnoeabs.peaks (0.95, 1.86, 33.82 ppm; 3.24 A): 2 out of 4 assignments used, quality = 1.00: * QG2 VAL 5 + HB VAL 5 OK 100 100 - 100 - 2.1=100 HG LEU 55 + HB VAL 5 OK 46 65 - 70 - ~8195=14, ~8197=12...(20) HB2 ARG 81 - HB VAL 5 OK 32 81 - 39 - ~3594=5, 177/2.1=5...(18) QG2 VAL 83 - HB VAL 5 poor 8 70 - 11 - 4.0/8165=2, 177/2.1=2...(6) Peak 172 from cnoeabs.peaks (9.31, 1.86, 33.82 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 6 + HB VAL 5 OK 100 100 - 100 - 4.4=100 H LYS 33 - HB VAL 5 OK 26 90 - 29 - 184/2.1=8, 178/2.1=8...(4) Peak 173 from cnoeabs.peaks (8.92, 0.73, 20.80 ppm; 4.05 A): 2 out of 6 assignments used, quality = 1.00: * H VAL 5 + QG1 VAL 5 OK 100 100 - 100 - 4.0=100 H LEU 57 + QG1 VAL 5 OK 52 90 - 58 - 9333/4.1=18, 179/2.1=12...(17) H VAL 5 - QG2 VAL 78 OK 17 66 - 25 - 3.0/174=6, 6054=4...(8) H ARG 19 - QG1 VAL 5 OK 13 65 - 19 - 3.0/8182=3, 167/2.1=3...(6) H LEU 57 - QG2 VAL 78 poor 9 53 - 17 - 4.5/6925=2, 6931/2.1=2...(7) H ARG 19 - QG2 VAL 78 poor 5 36 - 15 - ~10904=4, ~9687=3...(5) Peak 174 from cnoeabs.peaks (5.11, 0.73, 20.80 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 5 + QG1 VAL 5 OK 100 100 - 100 - 3.2=100 HA VAL 5 - QG2 VAL 78 OK 19 66 - 28 - 164=5, 3.0/170=3...(11) Peak 175 from cnoeabs.peaks (1.86, 0.73, 20.80 ppm; 2.98 A): 1 out of 14 assignments used, quality = 1.00: * HB VAL 5 + QG1 VAL 5 OK 100 100 - 100 - 2.1=100 HB3 LYS 68 - QG1 VAL 5 OK 19 92 - 20 - 181/2.1=3, 3.0/8182=3...(9) HB VAL 5 - QG2 VAL 78 OK 17 66 - 26 - 170=5, 2.1/182=3...(11) HB3 LYS 39 - QG1 VAL 5 OK 15 100 - 15 - 181/2.1=2, 3.0/10192=1...(5) HB2 LYS 12 - QG1 VAL 5 OK 14 100 - 14 - 181/2.1=2, 163/3.2=1...(4) HB3 LYS 12 - QG1 VAL 5 OK 14 99 - 14 - 181/2.1=2, 163/3.2=1...(4) HB3 LYS 68 - QG2 VAL 78 OK 13 55 - 23 - 10351/2.1=5, ~10904=3...(9) HB3 LYS 66 - QG1 VAL 5 lone 9 100 - 9 - 181/2.1=2, 6053/4.0=1 HB3 LYS 66 - QG2 VAL 78 lone 6 66 - 8 - 10351/2.1=1, 2899/2.1=1 HB3 LYS 39 - QG2 VAL 78 lone 5 65 - 8 - 10351/2.1=1 HB2 LYS 12 - QG2 VAL 78 lone 3 65 - 5 - HB3 LYS 12 - QG2 VAL 78 lone 3 63 - 5 - HB3 GLU 104 - QG1 VAL 5 lone 2 94 - 2 - HB3 GLU 104 - QG2 VAL 78 lone 0 57 - 1 - Peak 176 from cnoeabs.peaks (0.73, 0.73, 20.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 5 + QG1 VAL 5 OK 100 100 - 100 QG2 VAL 78 + QG2 VAL 78 OK 63 63 - 100 Peak 177 from cnoeabs.peaks (0.95, 0.73, 20.80 ppm; 2.80 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 5 + QG1 VAL 5 OK 100 100 - 100 - 2.1=100 HG LEU 55 - QG1 VAL 5 OK 43 65 - 65 - 2.1/8195=19, ~8197=9...(20) HB2 ARG 81 - QG1 VAL 5 OK 27 81 - 33 - 171/2.1=4, ~3594=4...(15) QG2 VAL 5 - QG2 VAL 78 OK 17 66 - 25 - 182=4, 2.1/170=3...(10) QG2 VAL 83 - QG1 VAL 5 OK 10 70 - 15 - 4.0/8167=6, 4.0/8166=1...(4) HB2 ARG 81 - QG2 VAL 78 lone 3 46 - 7 - HG LEU 55 - QG2 VAL 78 lone 3 36 - 9 - 2.1/8195=2, 3.7/8180=2 QG2 VAL 83 - QG2 VAL 78 lone 1 38 - 3 - 4.0/8167=1 Peak 178 from cnoeabs.peaks (9.31, 0.73, 20.80 ppm; 3.57 A): 4 out of 4 assignments used, quality = 0.94: * H LEU 6 + QG1 VAL 5 OK 90 100 - 90 - 4.1=64, 6059/3.2=32...(13) H LYS 33 + QG1 VAL 5 OK 24 90 - 26 - 184/2.1=5, 166/3.2=5...(8) H LEU 6 + QG2 VAL 78 OK 14 66 - 22 - 6061=4, 3.6/174=4...(6) H LYS 33 + QG2 VAL 78 OK 11 53 - 21 - ~9682=11, ~10903=4...(4) Peak 179 from cnoeabs.peaks (8.92, 0.95, 22.19 ppm; 3.73 A): 2 out of 3 assignments used, quality = 0.96: * H VAL 5 + QG2 VAL 5 OK 93 100 - 93 - 4.0=82, 167/2.1=22...(12) H LEU 57 + QG2 VAL 5 OK 43 90 - 48 - 9333/4.1=15, 167/2.1=9...(12) H ARG 19 - QG2 VAL 5 OK 12 65 - 18 - 167/2.1=3, ~10368=2...(8) Peak 180 from cnoeabs.peaks (5.11, 0.95, 22.19 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 5 + QG2 VAL 5 OK 100 100 - 100 - 3.2=100 Peak 181 from cnoeabs.peaks (1.86, 0.95, 22.19 ppm; 3.09 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 5 + QG2 VAL 5 OK 100 100 - 100 - 2.1=100 HB3 LYS 68 - QG2 VAL 5 OK 15 92 - 16 - 175/2.1=3, 163/3.2=2...(6) HB2 LYS 12 - QG2 VAL 5 OK 14 100 - 14 - 175/2.1=2, 163/3.2=2...(4) HB3 LYS 12 - QG2 VAL 5 OK 13 99 - 13 - 175/2.1=2, 163/3.2=2...(5) HB3 LYS 39 - QG2 VAL 5 OK 12 100 - 12 - 175/2.1=2, 163/3.2=2...(4) HB3 LYS 66 - QG2 VAL 5 lone 9 100 - 9 - 175/2.1=1, 6053/4.0=1 HB3 GLU 104 - QG2 VAL 5 lone 2 94 - 2 - Peak 182 from cnoeabs.peaks (0.73, 0.95, 22.19 ppm; 2.51 A): 1 out of 12 assignments used, quality = 1.00: * QG1 VAL 5 + QG2 VAL 5 OK 100 100 - 100 - 2.1=100 QD2 LEU 27 - QG2 VAL 5 OK 31 100 - 31 - 3.1/8633=5, 3.1/8634=4...(14) HG3 ARG 81 - QG2 VAL 5 OK 21 84 - 25 - 1.8/3603=3, 2.9/3594=3...(12) QG2 VAL 78 - QG2 VAL 5 OK 21 99 - 21 - 10907=5, 170/2.1=2...(6) HG13 ILE 93 - QG2 VAL 5 OK 17 70 - 25 - 4.0/8176=6, ~10198=5...(5) HG13 ILE 56 - QG2 VAL 5 OK 13 87 - 15 - 2.9/9328=3, 9313/4.1=2...(6) QG1 VAL 78 - QG2 VAL 5 OK 10 61 - 16 - 2.1/10907=4, 10351/2.1=1...(5) QD1 ILE 56 - QG2 VAL 5 poor 8 61 - 13 - 3.2/9328=3, ~9306=1...(5) QG1 VAL 58 - QG2 VAL 5 lone 7 98 - 7 - 3.2/9367=3, 10714/4.0=1 QD1 LEU 64 - QG2 VAL 5 lone 2 77 - 3 - QD2 LEU 14 - QG2 VAL 5 lone 2 65 - 2 - QD1 ILE 8 - QG2 VAL 5 lone 2 70 - 2 - Peak 183 from cnoeabs.peaks (0.95, 0.95, 22.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 5 + QG2 VAL 5 OK 100 100 - 100 Peak 184 from cnoeabs.peaks (9.31, 0.95, 22.19 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 6 + QG2 VAL 5 OK 100 100 - 100 - 4.1=100 H LYS 33 - QG2 VAL 5 OK 24 90 - 27 - 178/2.1=7, 172/2.1=6...(6) Peak 185 from cnoeabs.peaks (9.31, 5.47, 52.09 ppm; 4.36 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 6 + HA LEU 6 OK 100 100 - 100 - 2.9=100 H LYS 33 + HA LEU 6 OK 55 90 - 62 - 4.1/10154=25, 193/3.0=12...(11) Peak 186 from cnoeabs.peaks (5.47, 5.47, 52.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 6 + HA LEU 6 OK 100 100 - 100 Peak 187 from cnoeabs.peaks (1.18, 5.47, 52.09 ppm; 3.85 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 6 + HA LEU 6 OK 100 100 - 100 - 3.0=100 HB2 LEU 57 - HA LEU 6 OK 43 73 - 58 - 6073/3.6=8, 1.8/10372=8...(17) QG2 THR 34 - HA LEU 6 OK 40 99 - 41 - 8768/2.9=10, 8755/3.7=8...(10) Peak 188 from cnoeabs.peaks (1.65, 5.47, 52.09 ppm; 4.11 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LEU 6 + HA LEU 6 OK 100 100 - 100 - 3.0=100 HB3 ARG 79 - HA LEU 6 OK 38 98 - 39 - 3.0/210=5, 196/3.0=5...(18) HB ILE 76 - HA LEU 6 OK 23 99 - 23 - 6074/3.6=5, 9646/4.0=3...(8) HD3 LYS 68 - HA LEU 6 OK 23 100 - 23 - 3.5/10372=4, 6065/2.9=3...(12) HD2 LYS 68 - HA LEU 6 OK 23 99 - 23 - 3.5/10372=4, 6065/2.9=3...(12) HG2 LYS 68 - HA LEU 6 OK 22 98 - 22 - 2.9/10372=4, 6065/2.9=3...(11) HD2 LYS 39 - HA LEU 6 OK 14 98 - 14 - 196/3.0=2, 220/4.0=2...(8) HD3 LYS 39 - HA LEU 6 OK 13 97 - 14 - 6065/2.9=2, 196/3.0=2...(8) HB2 LYS 40 - HA LEU 6 OK 11 100 - 11 - 10160/10154=2, 196/3.0=1...(5) HD3 LYS 73 - HA LEU 6 lone 2 70 - 3 - HD2 LYS 73 - HA LEU 6 lone 2 61 - 3 - Peak 189 from cnoeabs.peaks (1.52, 5.47, 52.09 ppm; 4.07 A): 4 out of 10 assignments used, quality = 1.00: * HG LEU 6 + HA LEU 6 OK 100 100 - 100 - 3.7=100 HG12 ILE 56 + HA LEU 6 OK 77 98 - 79 - 3.9/8219=13, ~8236=13...(22) HB ILE 7 + HA LEU 6 OK 69 100 - 70 - 4.0/6072=32, 2.1/8256=24...(15) HG3 ARG 30 + HA LEU 6 OK 60 99 - 61 - 4.9/8698=20, 2.9/8234=20...(10) HG3 ARG 79 - HA LEU 6 OK 39 92 - 43 - 1.8/210=6, 3.0/188=4...(23) HG2 ARG 79 - HA LEU 6 OK 39 94 - 42 - 210=7, 3.0/188=4...(20) HB2 LEU 14 - HA LEU 6 OK 36 100 - 36 - 241/3.6=6, 3.1/190=5...(14) HB3 LEU 103 - HA LEU 6 OK 22 100 - 22 - ~10231=6, 3.1/10230=4...(8) HG LEU 2 - HA LEU 6 OK 11 92 - 12 - 6079/3.6=3, 251/8256=2 HG3 LYS 24 - HA LEU 6 lone 2 70 - 2 - Peak 190 from cnoeabs.peaks (0.69, 5.47, 52.09 ppm; 3.38 A): 5 out of 5 assignments used, quality = 0.94: * QD2 LEU 6 + HA LEU 6 OK 82 100 - 82 - 4.0=59, 6067/2.9=14...(14) QD1 LEU 42 + HA LEU 6 OK 32 100 - 32 - 206/3.0=5, 198/3.0=5...(12) QD1 ILE 52 + HA LEU 6 OK 28 96 - 30 - 6067/2.9=4, 206/3.0=4...(11) QD1 LEU 14 + HA LEU 6 OK 25 94 - 26 - 6076/3.6=4, 6067/2.9=4...(8) QG2 VAL 58 + HA LEU 6 OK 10 90 - 11 - 6076/3.6=2, 198/3.0=2...(6) Peak 191 from cnoeabs.peaks (0.77, 5.47, 52.09 ppm; 3.88 A): 1 out of 9 assignments used, quality = 0.97: * QD1 LEU 6 + HA LEU 6 OK 97 100 - 97 - 4.0=89, 2.1/218=41...(12) QG1 VAL 54 - HA LEU 6 OK 37 94 - 40 - 10663/2.9=13...(10) QD2 LEU 42 - HA LEU 6 OK 37 99 - 37 - 2.1/190=7, 199/3.0=5...(10) QG2 ILE 52 - HA LEU 6 OK 35 96 - 37 - 3.1/190=5, 199/3.0=5...(12) QD1 LEU 27 - HA LEU 6 OK 13 100 - 13 - 6068/2.9=2, 6077/3.6=2...(7) QD1 ILE 15 - HA LEU 6 OK 13 90 - 14 - 6077/3.6=2, 8469/8684=2...(9) QG2 ILE 8 - HA LEU 6 poor 9 73 - 13 - 6077/3.6=4, ~8233=2...(5) QD1 ILE 93 - HA LEU 6 lone 9 100 - 9 - 6068/2.9=2, 6077/3.6=1 HG13 ILE 15 - HA LEU 6 poor 8 73 - 10 - 6077/3.6=2 Peak 192 from cnoeabs.peaks (8.46, 5.47, 52.09 ppm; 3.17 A): 3 out of 3 assignments used, quality = 0.95: * H ILE 7 + HA LEU 6 OK 88 100 - 88 - 3.6=70, 6073/3.0=12...(18) H LEU 29 + HA LEU 6 OK 46 97 - 47 - 4.6/8698=12, 4.8/8684=8...(11) H LYS 53 + HA LEU 6 OK 23 94 - 25 - 9183/3.0=4, 224/4.0=4...(8) Peak 193 from cnoeabs.peaks (9.31, 1.18, 44.10 ppm; 4.35 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 6 + HB2 LEU 6 OK 100 100 - 100 - 4.0=100 H LYS 33 + HB2 LEU 6 OK 59 90 - 66 - 4.1/10337=14, 201/1.8=13...(15) Peak 194 from cnoeabs.peaks (5.47, 1.18, 44.10 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 6 + HB2 LEU 6 OK 100 100 - 100 - 3.0=100 Peak 195 from cnoeabs.peaks (1.18, 1.18, 44.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 6 + HB2 LEU 6 OK 100 100 - 100 Peak 196 from cnoeabs.peaks (1.65, 1.18, 44.10 ppm; 3.13 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LEU 6 + HB2 LEU 6 OK 100 100 - 100 - 1.8=100 HB3 ARG 79 - HB2 LEU 6 OK 28 98 - 29 - ~3508=3, 228/3.1=3...(12) HB ILE 76 - HB2 LEU 6 OK 16 99 - 16 - 6074/4.3=2, 9646/3.1=2...(7) HD3 LYS 68 - HB2 LEU 6 OK 14 100 - 14 - 188/3.0=1, 228/3.1=1...(5) HD2 LYS 68 - HB2 LEU 6 OK 14 99 - 14 - 188/3.0=1, 228/3.1=1...(5) HG2 LYS 68 - HB2 LEU 6 OK 13 98 - 13 - 188/3.0=1, 6065/4.0=1...(5) HD2 LYS 39 - HB2 LEU 6 OK 10 98 - 10 - 220/3.1=1, 228/3.1=1 HD3 LYS 39 - HB2 LEU 6 lone 10 97 - 10 - 220/3.1=1, 228/3.1=1 HB2 LYS 40 - HB2 LEU 6 lone 7 100 - 7 - HD3 LYS 73 - HB2 LEU 6 lone 2 70 - 2 - HD2 LYS 73 - HB2 LEU 6 lone 1 61 - 2 - Peak 197 from cnoeabs.peaks (1.52, 1.18, 44.10 ppm; 3.56 A): 4 out of 10 assignments used, quality = 1.00: * HG LEU 6 + HB2 LEU 6 OK 100 100 - 100 - 3.0=100 HG12 ILE 56 + HB2 LEU 6 OK 65 98 - 66 - 3.2/8235=20, ~8236=14...(17) HB ILE 7 + HB2 LEU 6 OK 55 100 - 55 - 4.0/6073=12, ~8256=11...(16) HG3 ARG 30 + HB2 LEU 6 OK 53 99 - 53 - ~8699=8, ~8696=8...(20) HG2 ARG 79 - HB2 LEU 6 OK 37 94 - 40 - 211=4, 3.0/196=4...(19) HG3 ARG 79 - HB2 LEU 6 OK 37 92 - 41 - 3.0/196=4, 1.8/211=4...(22) HB2 LEU 14 - HB2 LEU 6 OK 36 100 - 36 - 3.1/198=4, 241/4.3=4...(18) HB3 LEU 103 - HB2 LEU 6 OK 22 100 - 23 - ~10231=7, 3.1/10229=4...(8) HG LEU 2 - HB2 LEU 6 poor 9 92 - 10 - 6079/4.3=2 HG3 LYS 24 - HB2 LEU 6 lone 1 70 - 2 - Peak 198 from cnoeabs.peaks (0.69, 1.18, 44.10 ppm; 3.44 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 6 + HB2 LEU 6 OK 100 100 - 100 - 3.1=100 QD1 LEU 42 - HB2 LEU 6 OK 43 100 - 44 - 206/1.8=7, 230/3.1=6...(18) QD1 ILE 52 - HB2 LEU 6 OK 35 96 - 37 - 206/1.8=6, 230/3.1=5...(16) QD1 LEU 14 - HB2 LEU 6 OK 32 94 - 34 - 206/1.8=5, 214/3.0=4...(13) QG2 VAL 58 - HB2 LEU 6 OK 14 90 - 16 - 206/1.8=2, 4.0/6946=2...(7) Peak 199 from cnoeabs.peaks (0.77, 1.18, 44.10 ppm; 3.44 A): 1 out of 9 assignments used, quality = 1.00: * QD1 LEU 6 + HB2 LEU 6 OK 100 100 - 100 - 3.1=100 QD2 LEU 42 - HB2 LEU 6 OK 41 99 - 41 - 2.1/198=6, 207/1.8=6...(17) QG2 ILE 52 - HB2 LEU 6 OK 36 96 - 38 - 207/1.8=5, 4.3/9183=4...(17) QG1 VAL 54 - HB2 LEU 6 OK 31 94 - 33 - 10663/4.0=8, 10655/1.8=7...(8) QD1 LEU 27 - HB2 LEU 6 OK 10 100 - 10 - 207/1.8=1, 6068/4.0=1...(5) QD1 ILE 15 - HB2 LEU 6 poor 9 90 - 10 - 207/1.8=1, 6077/4.3=1...(5) QG2 ILE 8 - HB2 LEU 6 poor 9 73 - 12 - 4.0/8288=4, 6077/4.3=2 QD1 ILE 93 - HB2 LEU 6 lone 7 100 - 7 - 207/1.8=1 HG13 ILE 15 - HB2 LEU 6 lone 6 73 - 9 - 6077/4.3=1 Peak 200 from cnoeabs.peaks (8.46, 1.18, 44.10 ppm; 4.45 A): 3 out of 3 assignments used, quality = 1.00: * H ILE 7 + HB2 LEU 6 OK 100 100 - 100 - 4.3=100 H LEU 29 + HB2 LEU 6 OK 53 97 - 55 - ~8681=13, 192/3.0=12...(12) H LYS 53 + HB2 LEU 6 OK 47 94 - 50 - 9183=10, 224/3.1=9...(10) Peak 201 from cnoeabs.peaks (9.31, 1.65, 44.10 ppm; 4.11 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 6 + HB3 LEU 6 OK 100 100 - 100 - 4.0=100 H LYS 33 + HB3 LEU 6 OK 46 90 - 51 - 193/1.8=13, 185/3.0=10...(11) Peak 202 from cnoeabs.peaks (5.47, 1.65, 44.10 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 6 + HB3 LEU 6 OK 100 100 - 100 - 3.0=100 Peak 203 from cnoeabs.peaks (1.18, 1.65, 44.10 ppm; 3.14 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 6 + HB3 LEU 6 OK 100 100 - 100 - 1.8=100 HB2 LEU 57 - HB3 LEU 6 OK 33 73 - 45 - ~2619=5, 3.9/8203=5...(17) QG2 THR 34 - HB3 LEU 6 OK 29 99 - 29 - 8755/3.0=6, 8768/4.0=5...(9) Peak 204 from cnoeabs.peaks (1.65, 1.65, 44.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 6 + HB3 LEU 6 OK 100 100 - 100 Peak 205 from cnoeabs.peaks (1.52, 1.65, 44.10 ppm; 3.69 A): 4 out of 10 assignments used, quality = 1.00: * HG LEU 6 + HB3 LEU 6 OK 100 100 - 100 - 3.0=100 HG12 ILE 56 + HB3 LEU 6 OK 69 98 - 70 - 3.2/8236=23, ~8235=14...(17) HG3 ARG 30 + HB3 LEU 6 OK 57 99 - 58 - ~8699=9, ~8696=9...(21) HB ILE 7 + HB3 LEU 6 OK 53 100 - 53 - ~8256=12, 4.0/6074=9...(18) HG3 ARG 79 - HB3 LEU 6 OK 42 92 - 46 - 3.0/3508=5, 197/1.8=3...(25) HG2 ARG 79 - HB3 LEU 6 OK 41 94 - 44 - 3.0/3508=5, 210/3.0=4...(22) HB2 LEU 14 - HB3 LEU 6 OK 38 100 - 38 - 3.1/206=4, 241/4.3=4...(21) HB3 LEU 103 - HB3 LEU 6 OK 26 100 - 26 - 3.1/10231=11, ~10229=2...(8) HG LEU 2 - HB3 LEU 6 OK 10 92 - 11 - 6079/4.3=2 HG3 LYS 24 - HB3 LEU 6 lone 1 70 - 2 - Peak 206 from cnoeabs.peaks (0.69, 1.65, 44.10 ppm; 3.50 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 6 + HB3 LEU 6 OK 100 100 - 100 - 3.1=100 QD1 LEU 42 + HB3 LEU 6 OK 45 100 - 45 - 198/1.8=7, 230/3.1=6...(18) QD1 ILE 52 - HB3 LEU 6 OK 36 96 - 38 - 198/1.8=6, 230/3.1=5...(18) QD1 LEU 14 - HB3 LEU 6 OK 32 94 - 34 - 198/1.8=5, 214/3.0=4...(13) QG2 VAL 58 - HB3 LEU 6 OK 13 90 - 14 - 198/1.8=2, 190/3.0=2...(7) Peak 207 from cnoeabs.peaks (0.77, 1.65, 44.10 ppm; 3.49 A): 1 out of 9 assignments used, quality = 1.00: * QD1 LEU 6 + HB3 LEU 6 OK 100 100 - 100 - 3.1=100 QD2 LEU 42 - HB3 LEU 6 OK 42 99 - 43 - 2.1/206=7, 199/1.8=6...(18) QG1 VAL 54 - HB3 LEU 6 OK 37 94 - 40 - 10663/4.0=8, 10655=8...(10) QG2 ILE 52 - HB3 LEU 6 OK 36 96 - 38 - 199/1.8=5, 223/3.1=4...(17) QD1 LEU 27 - HB3 LEU 6 lone 10 100 - 10 - 199/1.8=2, 6068/4.0=1...(5) QD1 ILE 15 - HB3 LEU 6 poor 10 90 - 11 - 199/1.8=1, 6077/4.3=1...(5) QD1 ILE 93 - HB3 LEU 6 lone 7 100 - 7 - 199/1.8=1 HG13 ILE 15 - HB3 LEU 6 lone 7 73 - 9 - 6077/4.3=1 QG2 ILE 8 - HB3 LEU 6 lone 7 73 - 9 - 6077/4.3=3, 199/1.8=1 Peak 208 from cnoeabs.peaks (8.46, 1.65, 44.10 ppm; 4.87 A): 3 out of 3 assignments used, quality = 1.00: * H ILE 7 + HB3 LEU 6 OK 100 100 - 100 - 4.3=100 H LEU 29 + HB3 LEU 6 OK 58 97 - 60 - ~8681=17, 192/3.0=14...(10) H LYS 53 + HB3 LEU 6 OK 48 94 - 51 - 9183/1.8=14, 224/3.1=10...(8) Peak 209 from cnoeabs.peaks (9.31, 1.52, 27.00 ppm; 4.16 A): 2 out of 4 assignments used, quality = 0.94: * H LEU 6 + HG LEU 6 OK 90 100 - 90 - 5.3=49, 6067/2.1=23...(17) H LYS 33 + HG LEU 6 OK 44 90 - 49 - 193/3.0=11, 217/2.1=10...(10) H LEU 6 - HG2 ARG 79 OK 17 50 - 35 - 2.9/210=5, 6065/3.0=4...(14) H LYS 33 - HG2 ARG 79 lone 4 40 - 9 - 6522/1.8=1 Peak 210 from cnoeabs.peaks (5.47, 1.52, 27.00 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 6 + HG LEU 6 OK 100 100 - 100 - 3.7=100 HA LEU 6 - HG2 ARG 79 OK 23 50 - 46 - 188/3.0=5, 189=4...(22) Peak 211 from cnoeabs.peaks (1.18, 1.52, 27.00 ppm; 3.94 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 6 + HG LEU 6 OK 100 100 - 100 - 3.0=100 QG2 THR 34 + HG LEU 6 OK 46 99 - 47 - 8755=15, 219/2.1=8...(9) HB2 LEU 57 - HG LEU 6 OK 38 73 - 52 - 219/2.1=8, 203/3.0=7...(15) HB2 LEU 6 - HG2 ARG 79 OK 24 50 - 49 - 3.0/210=5, 196/3.0=5...(25) QG2 THR 34 - HG2 ARG 79 lone 2 48 - 5 - 8755=1 HB2 LEU 57 - HG2 ARG 79 lone 1 30 - 5 - 3.9/6933=1 Peak 212 from cnoeabs.peaks (1.65, 1.52, 27.00 ppm; 3.09 A): 2 out of 22 assignments used, quality = 1.00: * HB3 LEU 6 + HG LEU 6 OK 100 100 - 100 - 3.0=100 HB3 ARG 79 + HG2 ARG 79 OK 47 47 - 100 - 3.0=100 HB3 ARG 79 - HG LEU 6 OK 26 98 - 26 - 228/2.1=4, 220/2.1=3...(8) HB3 LEU 6 - HG2 ARG 79 OK 16 50 - 32 - 3508/3.0=3, 3.0/210=3...(12) HB ILE 76 - HG LEU 6 OK 15 99 - 15 - 9646/2.1=3, 228/2.1=2...(6) HD3 LYS 68 - HG LEU 6 OK 11 100 - 11 - 228/2.1=2, 196/3.0=2...(4) HD2 LYS 68 - HG LEU 6 OK 11 99 - 11 - 228/2.1=2, 196/3.0=2...(4) HG2 LYS 68 - HG LEU 6 OK 10 98 - 11 - 228/2.1=1, 220/2.1=1...(4) HD2 LYS 39 - HG LEU 6 lone 10 98 - 10 - 220/2.1=2, 228/2.1=1, 196/3.0=1 HD3 LYS 39 - HG LEU 6 lone 9 97 - 10 - 220/2.1=2, 228/2.1=1, 196/3.0=1 HB2 LYS 40 - HG LEU 6 lone 6 100 - 5 - HB ILE 76 - HG2 ARG 79 lone 2 49 - 5 - 7290/4.7=1 HD3 LYS 68 - HG2 ARG 79 lone 2 50 - 5 - HD2 LYS 68 - HG2 ARG 79 lone 2 49 - 5 - HG2 LYS 68 - HG2 ARG 79 lone 2 47 - 5 - HD3 LYS 73 - HG2 ARG 79 lone 2 28 - 5 - 3508/3.0=1 HD3 LYS 73 - HG LEU 6 lone 1 70 - 2 - HD2 LYS 39 - HG2 ARG 79 lone 1 47 - 3 - HD2 LYS 73 - HG2 ARG 79 lone 1 25 - 5 - HD3 LYS 39 - HG2 ARG 79 lone 1 46 - 3 - HD2 LYS 73 - HG LEU 6 lone 1 61 - 2 - HB2 LYS 40 - HG2 ARG 79 lone 1 50 - 2 - Peak 213 from cnoeabs.peaks (1.52, 1.52, 27.00 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG LEU 6 + HG LEU 6 OK 100 100 - 100 HG2 ARG 79 - HG2 ARG 79 OK 43 43 - 100 Peak 214 from cnoeabs.peaks (0.69, 1.52, 27.00 ppm; 3.00 A): 1 out of 10 assignments used, quality = 1.00: * QD2 LEU 6 + HG LEU 6 OK 100 100 - 100 - 2.1=100 QD1 LEU 42 - HG LEU 6 OK 36 100 - 37 - 230/2.1=6, 2.1/215=4...(16) QD1 LEU 14 - HG LEU 6 OK 32 94 - 34 - 620=4, 230/2.1=4...(13) QD1 ILE 52 - HG LEU 6 OK 28 96 - 30 - 230/2.1=5, 206/3.0=3...(14) QD2 LEU 6 - HG2 ARG 79 OK 15 50 - 31 - 221=4, 221/1.8=3...(10) QG2 VAL 58 - HG LEU 6 OK 10 90 - 11 - 230/2.1=1, 198/3.0=1, 206/3.0=1 QD1 LEU 14 - HG2 ARG 79 lone 4 43 - 8 - QG2 VAL 58 - HG2 ARG 79 lone 2 40 - 5 - 10228/4.1=2 QD1 LEU 42 - HG2 ARG 79 lone 2 50 - 3 - QD1 ILE 52 - HG2 ARG 79 lone 1 45 - 3 - Peak 215 from cnoeabs.peaks (0.77, 1.52, 27.00 ppm; 2.94 A): 1 out of 18 assignments used, quality = 1.00: * QD1 LEU 6 + HG LEU 6 OK 100 100 - 100 - 2.1=100 QD2 LEU 42 - HG LEU 6 OK 33 99 - 33 - 1948/2.1=6, 2.1/214=5...(14) QG1 VAL 54 - HG LEU 6 OK 27 94 - 29 - 10209=7, 10663/5.3=4...(8) QG2 ILE 52 - HG LEU 6 OK 27 96 - 28 - 223/2.1=5, 199/3.0=3...(13) QD1 LEU 6 - HG2 ARG 79 OK 14 50 - 28 - 229=4, 229/1.8=3...(10) QD1 ILE 15 - HG LEU 6 lone 8 90 - 9 - 223/2.1=1 QD1 LEU 27 - HG LEU 6 lone 8 100 - 7 - 223/2.1=1 QD1 LEU 27 - HG2 ARG 79 poor 7 50 - 14 - 1224/3.0=2, ~10139=2...(6) HG13 ILE 15 - HG LEU 6 lone 6 73 - 8 - QG2 ILE 8 - HG LEU 6 lone 6 73 - 8 - 4.0/6088=1 QG1 VAL 54 - HG2 ARG 79 poor 5 43 - 13 - 10209=2, 2499/4.7=2...(6) QD1 ILE 93 - HG LEU 6 lone 5 100 - 5 - QD1 ILE 93 - HG2 ARG 79 lone 2 50 - 4 - QG2 ILE 52 - HG2 ARG 79 lone 1 45 - 3 - QD2 LEU 42 - HG2 ARG 79 lone 1 49 - 2 - QG2 ILE 8 - HG2 ARG 79 lone 1 30 - 2 - QD1 ILE 15 - HG2 ARG 79 lone 1 40 - 1 - HG13 ILE 15 - HG2 ARG 79 lone 0 30 - 1 - Peak 216 from cnoeabs.peaks (8.46, 1.52, 27.00 ppm; 4.59 A): 3 out of 6 assignments used, quality = 0.97: * H ILE 7 + HG LEU 6 OK 89 100 - 89 - 6072/3.7=41, 6073/3.0=23...(19) H LEU 29 + HG LEU 6 OK 49 97 - 51 - 224/2.1=11, 192/3.7=11...(8) H LYS 53 + HG LEU 6 OK 46 94 - 49 - 224/2.1=11, 9183/3.0=10...(9) H ILE 7 - HG2 ARG 79 OK 14 50 - 28 - 3.6/210=6, 4.3/211=3...(9) H LEU 29 - HG2 ARG 79 poor 5 46 - 12 - 4.6/6486=4, 6469/3.0=1 H LYS 53 - HG2 ARG 79 lone 3 43 - 7 - Peak 217 from cnoeabs.peaks (9.31, 0.69, 24.21 ppm; 4.67 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 6 + QD2 LEU 6 OK 100 100 - 100 - 4.6=100 H LYS 33 + QD2 LEU 6 OK 48 90 - 54 - 193/3.1=13, 209/2.1=12...(9) Peak 218 from cnoeabs.peaks (5.47, 0.69, 24.21 ppm; 3.38 A): 1 out of 1 assignment used, quality = 0.82: * HA LEU 6 + QD2 LEU 6 OK 82 100 - 82 - 4.0=59, 2.9/6067=14...(14) Peak 219 from cnoeabs.peaks (1.18, 0.69, 24.21 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 6 + QD2 LEU 6 OK 100 100 - 100 - 3.1=100 HB2 LEU 57 - QD2 LEU 6 OK 36 73 - 49 - 3.9/8204=7, 203/3.1=6...(16) QG2 THR 34 - QD2 LEU 6 OK 35 99 - 36 - 8755/2.1=10, 227/2.1=7...(8) Peak 220 from cnoeabs.peaks (1.65, 0.69, 24.21 ppm; 3.71 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LEU 6 + QD2 LEU 6 OK 100 100 - 100 - 3.1=100 HB3 ARG 79 - QD2 LEU 6 OK 35 98 - 36 - 228/2.1=5, 196/3.1=4...(14) HB ILE 76 - QD2 LEU 6 OK 27 99 - 27 - 2.1/10877=4, 3.0/9667=4...(10) HD3 LYS 39 - QD2 LEU 6 OK 17 97 - 17 - 3.0/10570=2, 228/2.1=2...(6) HD2 LYS 39 - QD2 LEU 6 OK 17 98 - 17 - 3.0/10570=2, 228/2.1=2...(7) HD3 LYS 68 - QD2 LEU 6 OK 16 100 - 16 - 228/2.1=2, 196/3.1=2...(9) HD2 LYS 68 - QD2 LEU 6 OK 16 99 - 16 - 228/2.1=2, 196/3.1=2...(9) HG2 LYS 68 - QD2 LEU 6 OK 16 98 - 16 - 228/2.1=2, 196/3.1=2...(6) HB2 LYS 40 - QD2 LEU 6 OK 11 100 - 11 - 4.3/8870=2, 228/2.1=1, 196/3.1=1 HD3 LYS 73 - QD2 LEU 6 lone 2 70 - 3 - HD2 LYS 73 - QD2 LEU 6 lone 2 61 - 3 - Peak 221 from cnoeabs.peaks (1.52, 0.69, 24.21 ppm; 3.09 A): 2 out of 10 assignments used, quality = 1.00: * HG LEU 6 + QD2 LEU 6 OK 100 100 - 100 - 2.1=100 HG3 ARG 30 + QD2 LEU 6 OK 47 99 - 48 - 2.9/8718=8, 4.9/10232=7...(17) HG12 ILE 56 - QD2 LEU 6 OK 39 98 - 40 - ~8236=6, ~8235=6...(15) HB ILE 7 - QD2 LEU 6 OK 36 100 - 36 - 4.0/6076=7, 599=3...(12) HB2 LEU 14 - QD2 LEU 6 OK 34 100 - 34 - 599=4, 1.8/607=3...(17) HG2 ARG 79 - QD2 LEU 6 OK 28 94 - 30 - 214=3, 229/2.1=3...(10) HG3 ARG 79 - QD2 LEU 6 OK 27 92 - 29 - 3.0/220=3, 229/2.1=3...(11) HB3 LEU 103 - QD2 LEU 6 OK 13 100 - 13 - ~10231=3, 229/2.1=1...(5) HG LEU 2 - QD2 LEU 6 lone 8 92 - 9 - HG3 LYS 24 - QD2 LEU 6 lone 1 70 - 2 - Peak 222 from cnoeabs.peaks (0.69, 0.69, 24.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 6 + QD2 LEU 6 OK 100 100 - 100 Peak 223 from cnoeabs.peaks (0.77, 0.69, 24.21 ppm; 2.73 A): 1 out of 9 assignments used, quality = 1.00: * QD1 LEU 6 + QD2 LEU 6 OK 100 100 - 100 - 2.1=100 QD2 LEU 42 - QD2 LEU 6 OK 39 99 - 39 - 1948=8, 215/2.1=3...(17) QG2 ILE 52 - QD2 LEU 6 OK 31 96 - 33 - 2356=5, 215/2.1=3...(15) QG1 VAL 54 - QD2 LEU 6 OK 24 94 - 26 - 10209/2.1=4, 10663/4.6=4...(7) QD1 ILE 15 - QD2 LEU 6 lone 8 90 - 9 - 4.2/12021=1 QD1 LEU 27 - QD2 LEU 6 lone 7 100 - 7 - QD1 ILE 93 - QD2 LEU 6 lone 7 100 - 7 - HG13 ILE 15 - QD2 LEU 6 lone 5 73 - 7 - 4.1/12021=1, 4.6/6214=1 QG2 ILE 8 - QD2 LEU 6 lone 5 73 - 7 - Peak 224 from cnoeabs.peaks (8.46, 0.69, 24.21 ppm; 4.04 A): 3 out of 3 assignments used, quality = 0.95: * H ILE 7 + QD2 LEU 6 OK 84 100 - 84 - 6072/4.0=31, 6076=21...(14) H LEU 29 + QD2 LEU 6 OK 46 97 - 48 - 4.6/10232=15, 192/4.0=8...(8) H LYS 53 + QD2 LEU 6 OK 45 94 - 48 - 232/2.1=8, 9183/3.1=8...(15) Peak 225 from cnoeabs.peaks (9.31, 0.77, 25.58 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 6 + QD1 LEU 6 OK 100 100 - 100 - 4.6=98, ~218=26...(11) H LYS 33 - QD1 LEU 6 OK 43 90 - 48 - 193/3.1=12, 217/2.1=12...(7) Peak 226 from cnoeabs.peaks (5.47, 0.77, 25.58 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 6 + QD1 LEU 6 OK 100 100 - 100 - 4.0=100 Peak 227 from cnoeabs.peaks (1.18, 0.77, 25.58 ppm; 3.28 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 6 + QD1 LEU 6 OK 100 100 - 100 - 3.1=100 QG2 THR 34 - QD1 LEU 6 OK 28 99 - 29 - 8755/2.1=8, 219/2.1=6...(7) HB2 LEU 57 - QD1 LEU 6 OK 25 73 - 34 - 219/2.1=6, 203/3.1=5...(13) Peak 228 from cnoeabs.peaks (1.65, 0.77, 25.58 ppm; 3.57 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LEU 6 + QD1 LEU 6 OK 100 100 - 100 - 3.1=100 HB3 ARG 79 - QD1 LEU 6 OK 32 98 - 33 - 220/2.1=4, 196/3.1=4...(14) HB ILE 76 - QD1 LEU 6 OK 19 99 - 19 - 9646/2.1=4, 196/3.1=2...(8) HD3 LYS 68 - QD1 LEU 6 OK 14 100 - 14 - 220/2.1=2, 196/3.1=2...(7) HD2 LYS 68 - QD1 LEU 6 OK 14 99 - 14 - 220/2.1=2, 196/3.1=2...(7) HG2 LYS 68 - QD1 LEU 6 OK 13 98 - 13 - 220/2.1=2, 196/3.1=2...(6) HD2 LYS 39 - QD1 LEU 6 OK 12 98 - 12 - 220/2.1=2, 196/3.1=1...(5) HD3 LYS 39 - QD1 LEU 6 OK 12 97 - 12 - 220/2.1=2, 196/3.1=1...(5) HB2 LYS 40 - QD1 LEU 6 lone 9 100 - 9 - 4.3/8869=1, 220/2.1=1 HD3 LYS 73 - QD1 LEU 6 lone 2 70 - 3 - HD2 LYS 73 - QD1 LEU 6 lone 2 61 - 3 - Peak 229 from cnoeabs.peaks (1.52, 0.77, 25.58 ppm; 3.04 A): 1 out of 10 assignments used, quality = 1.00: * HG LEU 6 + QD1 LEU 6 OK 100 100 - 100 - 2.1=100 HG3 ARG 30 - QD1 LEU 6 OK 36 99 - 37 - ~8720=4, 221/2.1=4...(17) HG12 ILE 56 - QD1 LEU 6 OK 36 98 - 37 - ~8236=6, ~8235=5...(15) HB ILE 7 - QD1 LEU 6 OK 30 100 - 30 - 4.0/6077=5, 3.0/8226=4...(11) HB2 LEU 14 - QD1 LEU 6 OK 26 100 - 26 - 221/2.1=3, 3.1/230=3...(11) HG2 ARG 79 - QD1 LEU 6 OK 25 94 - 27 - 3.0/228=3, 215=3...(9) HG3 ARG 79 - QD1 LEU 6 OK 24 92 - 26 - 3.0/228=3, 221/2.1=2...(10) HB3 LEU 103 - QD1 LEU 6 OK 12 100 - 12 - ~10231=3, 221/2.1=1...(5) HG LEU 2 - QD1 LEU 6 lone 7 92 - 7 - 3.0/12274=1 HG3 LYS 24 - QD1 LEU 6 lone 1 70 - 2 - Peak 230 from cnoeabs.peaks (0.69, 0.77, 25.58 ppm; 2.52 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 6 + QD1 LEU 6 OK 100 100 - 100 - 2.1=100 QD1 LEU 42 - QD1 LEU 6 OK 33 100 - 33 - 1941=6, 214/2.1=3...(17) QD1 ILE 52 - QD1 LEU 6 OK 25 96 - 26 - 2377=3, 214/2.1=3...(10) QD1 LEU 14 - QD1 LEU 6 OK 19 94 - 20 - 214/2.1=3, 198/3.1=2...(7) QG2 VAL 58 - QD1 LEU 6 lone 7 90 - 7 - Peak 231 from cnoeabs.peaks (0.77, 0.77, 25.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 6 + QD1 LEU 6 OK 100 100 - 100 Peak 232 from cnoeabs.peaks (8.46, 0.77, 25.58 ppm; 4.66 A): 3 out of 3 assignments used, quality = 0.98: * H ILE 7 + QD1 LEU 6 OK 89 100 - 89 - 6072/4.0=39, 6073/3.1=23...(14) H LEU 29 + QD1 LEU 6 OK 53 97 - 54 - 224/2.1=12, 192/4.0=11...(10) H LYS 53 + QD1 LEU 6 OK 52 94 - 56 - 224/2.1=11, 9183/3.1=11...(14) Peak 233 from cnoeabs.peaks (8.46, 5.13, 58.46 ppm; 4.25 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 7 + HA ILE 7 OK 100 100 - 100 - 3.0=100 H LEU 29 + HA ILE 7 OK 48 97 - 50 - 249/3.0=9, 257/3.9=7...(16) H LYS 53 - HA ILE 7 OK 45 94 - 48 - 9178=11, 249/3.0=6...(14) Peak 234 from cnoeabs.peaks (5.13, 5.13, 58.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 7 + HA ILE 7 OK 100 100 - 100 Peak 235 from cnoeabs.peaks (1.52, 5.13, 58.46 ppm; 3.68 A): 4 out of 11 assignments used, quality = 1.00: * HB ILE 7 + HA ILE 7 OK 100 100 - 100 - 3.0=100 HG LEU 6 + HA ILE 7 OK 64 100 - 64 - 216/3.0=9, 3.0/8220=9...(22) HB2 LEU 14 + HA ILE 7 OK 63 100 - 63 - 242=9, 3.1/8424=8...(23) HG LEU 2 + HA ILE 7 OK 46 97 - 47 - 251/3.0=5, 2.1/238=5...(21) HG12 ILE 56 - HA ILE 7 OK 30 94 - 32 - 3.2/9306=4, 6075/3.0=3...(17) HG3 ARG 30 - HA ILE 7 OK 16 96 - 16 - 6075/3.0=2, ~8719=2...(6) HG2 ARG 79 - HA ILE 7 poor 9 87 - 10 - 6075/3.0=1 HG3 ARG 79 - HA ILE 7 poor 9 84 - 10 - 6075/3.0=1 HB3 LEU 103 - HA ILE 7 lone 6 100 - 6 - HG3 LYS 24 - HA ILE 7 lone 3 81 - 4 - HG3 LYS 33 - HA ILE 7 lone 3 65 - 4 - Peak 236 from cnoeabs.peaks (0.80, 5.13, 58.46 ppm; 3.47 A): 3 out of 8 assignments used, quality = 1.00: * QG2 ILE 7 + HA ILE 7 OK 100 100 - 100 - 3.0=100 QD2 LEU 57 + HA ILE 7 OK 63 100 - 63 - 3.1/8271=20, 3.1/8272=12...(19) QG2 ILE 8 + HA ILE 7 OK 52 87 - 60 - 4.0/6087=16, 2.1/8299=10...(23) QD1 ILE 76 - HA ILE 7 OK 42 100 - 43 - 2.1/237=5, 3452/3.9=5...(19) QD2 LEU 2 - HA ILE 7 OK 40 92 - 44 - 80/3.0=5, 2.1/238=5...(23) QG2 ILE 15 - HA ILE 7 OK 21 90 - 23 - 276/4.2=3, 260/3.9=3...(11) QD2 LEU 70 - HA ILE 7 lone 7 94 - 7 - QD1 LEU 70 - HA ILE 7 lone 4 70 - 5 - Peak 237 from cnoeabs.peaks (1.42, 5.13, 58.46 ppm; 3.84 A): 1 out of 7 assignments used, quality = 0.98: * HG12 ILE 7 + HA ILE 7 OK 98 100 - 98 - 3.9=92, 2.1/239=35...(18) HG13 ILE 76 - HA ILE 7 OK 42 87 - 48 - 253/3.0=6, 269/3.9=6...(18) HG LEU 29 - HA ILE 7 OK 41 90 - 46 - ~10501=6, 6081/3.0=6...(15) QB ALA 22 - HA ILE 7 OK 23 90 - 26 - 8586/3.0=6, 2.9/240=3...(11) HG2 LYS 13 - HA ILE 7 OK 17 98 - 17 - 10394/3.0=3, 277/4.2=2...(8) HG3 LYS 39 - HA ILE 7 poor 10 70 - 14 - 253/3.0=2, ~10569=2...(7) QB ALA 71 - HA ILE 7 lone 5 81 - 6 - Peak 238 from cnoeabs.peaks (0.89, 5.13, 58.46 ppm; 3.99 A): 4 out of 5 assignments used, quality = 1.00: * HG13 ILE 7 + HA ILE 7 OK 100 100 - 100 - 3.9=100 HG13 ILE 8 + HA ILE 7 OK 70 98 - 71 - 4.6/6087=17, 2.9/8299=13...(25) QG2 ILE 76 + HA ILE 7 OK 49 92 - 53 - 9629/3.6=10, 254/3.0=6...(21) QD1 LEU 2 + HA ILE 7 OK 48 90 - 53 - 254/3.0=6, 88/3.0=6...(22) QG1 VAL 32 - HA ILE 7 OK 21 81 - 26 - ~8270=7, ~12056=4...(10) Peak 239 from cnoeabs.peaks (0.62, 5.13, 58.46 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.97: * QD1 ILE 7 + HA ILE 7 OK 97 100 - 97 - 4.2=77, 255/3.0=37...(18) Peak 240 from cnoeabs.peaks (8.80, 5.13, 58.46 ppm; 3.08 A): 2 out of 3 assignments used, quality = 0.89: * H ILE 8 + HA ILE 7 OK 85 100 - 85 - 3.6=64, 6092/4.2=13...(17) H SER 59 + HA ILE 7 OK 27 100 - 28 - 256/3.0=6, 6084/3.0=4...(9) H ALA 22 - HA ILE 7 poor 10 65 - 15 - ~8586=2, 256/3.0=2...(8) Peak 241 from cnoeabs.peaks (8.46, 1.52, 41.02 ppm; 3.71 A): 2 out of 6 assignments used, quality = 0.97: * H ILE 7 + HB ILE 7 OK 95 100 - 95 - 4.0=82, 6083/3.2=26...(16) H ILE 7 + HB2 LEU 14 OK 45 91 - 49 - 4.7/247=7, 6079=7...(16) H LEU 29 - HB ILE 7 OK 39 97 - 40 - 249/2.1=9, 257/2.9=6...(11) H LYS 53 - HB ILE 7 OK 28 94 - 29 - 249/2.1=6, 9178/3.0=6...(7) H LEU 29 - HB2 LEU 14 lone 7 85 - 8 - H LYS 53 - HB2 LEU 14 lone 7 81 - 8 - Peak 242 from cnoeabs.peaks (5.13, 1.52, 41.02 ppm; 3.71 A): 3 out of 8 assignments used, quality = 1.00: * HA ILE 7 + HB ILE 7 OK 100 100 - 100 - 3.0=100 HA ILE 7 + HB2 LEU 14 OK 58 91 - 64 - 235=9, 8424/3.1=8...(23) HA LEU 3 + HB ILE 7 OK 48 100 - 49 - 250/2.1=8, 258/2.9=6...(14) HA SER 85 - HB2 LEU 14 OK 38 88 - 43 - 9867/3.1=11, 8427/3.1=7...(11) HA TYR 4 - HB ILE 7 OK 28 87 - 33 - 250/2.1=5, 3.6/8242=4...(10) HA SER 85 - HB ILE 7 OK 26 99 - 26 - 250/2.1=4, 258/2.9=3...(9) HA TYR 4 - HB2 LEU 14 OK 19 74 - 26 - ~8428=7, 3.0/8146=3...(8) HA LEU 3 - HB2 LEU 14 OK 13 90 - 14 - 8424/3.1=2, 3.0/6021=2 Peak 243 from cnoeabs.peaks (1.52, 1.52, 41.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB ILE 7 + HB ILE 7 OK 100 100 - 100 HB2 LEU 14 + HB2 LEU 14 OK 91 91 - 100 Peak 244 from cnoeabs.peaks (0.80, 1.52, 41.02 ppm; 3.09 A): 6 out of 16 assignments used, quality = 1.00: * QG2 ILE 7 + HB ILE 7 OK 100 100 - 100 - 2.1=100 QD2 LEU 57 + HB ILE 7 OK 57 100 - 57 - ~8271=6, 236/3.0=4...(25) QG2 ILE 7 + HB2 LEU 14 OK 53 91 - 59 - 251=9, 3.0/247=8...(31) QG2 ILE 8 + HB ILE 7 OK 49 87 - 57 - 297/4.5=5, ~8299=4...(32) QD2 LEU 2 + HB ILE 7 OK 49 92 - 54 - 80=7, 2.1/88=6, 82/2.9=4...(30) QD1 ILE 76 + HB ILE 7 OK 45 100 - 45 - 3452/2.9=5, 3454/2.9=4...(24) QG2 ILE 15 - HB ILE 7 OK 41 90 - 45 - ~8261=6, ~8470=5...(22) QG2 ILE 8 - HB2 LEU 14 OK 36 74 - 50 - 299/1.8=4, 301/3.0=3...(29) QG2 ILE 15 - HB2 LEU 14 OK 28 77 - 37 - ~8413=6, ~8409=5...(14) QD1 ILE 76 - HB2 LEU 14 OK 21 91 - 23 - 10878/3.0=4, 3449/3.8=3...(10) QD2 LEU 2 - HB2 LEU 14 OK 21 79 - 27 - 80=3, 2.1/88=3, 3.1/56=2...(9) QD2 LEU 70 - HB2 LEU 14 OK 17 81 - 21 - ~9545=2, ~9544=2...(9) QD2 LEU 57 - HB2 LEU 14 OK 14 90 - 16 - 10696/3.1=2, 10696/3.1=2 QD1 LEU 70 - HB2 LEU 14 OK 11 58 - 19 - ~9545=2, ~9544=2...(7) QD2 LEU 70 - HB ILE 7 lone 7 94 - 7 - QD1 LEU 70 - HB ILE 7 lone 4 70 - 6 - Peak 245 from cnoeabs.peaks (1.42, 1.52, 41.02 ppm; 3.49 A): 3 out of 14 assignments used, quality = 1.00: * HG12 ILE 7 + HB ILE 7 OK 100 100 - 100 - 2.9=100 HG12 ILE 7 + HB2 LEU 14 OK 58 91 - 64 - 2.1/247=12, 12015/3.1=11...(24) HG13 ILE 76 + HB ILE 7 OK 47 87 - 55 - 253/2.1=7, 269/2.9=6...(27) HG2 LYS 13 - HB2 LEU 14 OK 32 87 - 37 - 527/3.8=6, 12015/3.1=6...(13) HG LEU 29 - HB ILE 7 OK 32 90 - 35 - ~10501=7, 253/2.1=5...(12) QB ALA 22 - HB ILE 7 OK 21 90 - 24 - 8586/4.0=4, 253/2.1=3...(11) HG13 ILE 76 - HB2 LEU 14 OK 20 74 - 27 - 12015/3.1=4, ~10878=3...(11) HG2 LYS 13 - HB ILE 7 OK 18 98 - 18 - 10394/2.1=3, 277/3.2=2...(6) HG3 LYS 39 - HB ILE 7 OK 13 70 - 18 - 253/2.1=2, ~10569=2...(7) HG3 LYS 39 - HB2 LEU 14 OK 11 58 - 20 - ~10570=3, ~606=2...(10) QB ALA 71 - HB ILE 7 lone 6 81 - 7 - 12176/2.1=1 QB ALA 22 - HB2 LEU 14 lone 5 77 - 7 - HG LEU 29 - HB2 LEU 14 lone 5 77 - 6 - QB ALA 71 - HB2 LEU 14 lone 4 68 - 6 - 12015/3.1=2 Peak 246 from cnoeabs.peaks (0.89, 1.52, 41.02 ppm; 3.85 A): 6 out of 10 assignments used, quality = 1.00: * HG13 ILE 7 + HB ILE 7 OK 100 100 - 100 - 2.9=100 HG13 ILE 8 + HB ILE 7 OK 74 98 - 76 - 254/2.1=10, 8305/3.0=9...(28) HG13 ILE 7 + HB2 LEU 14 OK 64 91 - 70 - 2.1/247=14, 267=10...(26) QD1 LEU 2 + HB ILE 7 OK 63 90 - 70 - 2.1/80=7, 254/2.1=7...(31) QG2 ILE 76 + HB ILE 7 OK 58 92 - 63 - 9629/4.5=8, 254/2.1=7...(30) HG13 ILE 8 + HB2 LEU 14 OK 58 87 - 67 - 317/3.0=7, 315/1.8=7...(33) QD1 LEU 2 - HB2 LEU 14 OK 29 77 - 38 - 2.1/80=4, 88=3, 3.1/56=3...(20) QG2 ILE 76 - HB2 LEU 14 OK 27 79 - 34 - 3425/3.8=5, 4.0/594=4...(14) QG1 VAL 32 - HB ILE 7 OK 26 81 - 32 - 2.1/10159=5, ~12056=4...(13) QG1 VAL 32 - HB2 LEU 14 OK 16 68 - 24 - 8942/3.1=5, 2.1/10159=3...(9) Peak 247 from cnoeabs.peaks (0.62, 1.52, 41.02 ppm; 3.38 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 7 + HB ILE 7 OK 100 100 - 100 - 3.2=100 QD1 ILE 7 + HB2 LEU 14 OK 56 91 - 62 - 275=9, 10272/3.1=7...(25) Peak 248 from cnoeabs.peaks (8.80, 1.52, 41.02 ppm; 4.51 A): 3 out of 6 assignments used, quality = 1.00: * H ILE 8 + HB ILE 7 OK 100 100 - 100 - 4.5=100 H ILE 8 + HB2 LEU 14 OK 63 91 - 69 - 6088=11, 6094/1.8=10...(23) H SER 59 + HB ILE 7 OK 53 100 - 53 - 256/2.1=14, 264/2.9=11...(8) H SER 59 - HB2 LEU 14 OK 36 91 - 40 - 6960/3.1=10, 9400/1.8=10...(9) H ALA 22 - HB ILE 7 OK 22 65 - 33 - 256/2.1=5, 264/2.9=4...(12) H ALA 22 - HB2 LEU 14 lone 5 54 - 10 - 8569/8276=2, 8570/3.0=1 Peak 249 from cnoeabs.peaks (8.46, 0.80, 16.81 ppm; 3.35 A): 3 out of 3 assignments used, quality = 0.93: * H ILE 7 + QG2 ILE 7 OK 86 100 - 86 - 4.0=58, 6083/3.0=22...(14) H LEU 29 + QG2 ILE 7 OK 35 97 - 36 - 241/2.1=5, 4.8/10501=5...(11) H LYS 53 + QG2 ILE 7 OK 22 94 - 24 - 9178/3.0=5, 241/2.1=4...(7) Peak 250 from cnoeabs.peaks (5.13, 0.80, 16.81 ppm; 3.72 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 7 + QG2 ILE 7 OK 100 100 - 100 - 3.0=100 HA LEU 3 + QG2 ILE 7 OK 47 100 - 48 - 3.0/8282=8, 8064/4.0=6...(14) HA TYR 4 - QG2 ILE 7 OK 28 87 - 32 - 3.6/8245=8, 258/3.2=4...(10) HA SER 85 - QG2 ILE 7 OK 22 99 - 22 - 258/3.2=3, 274/3.0=3...(8) Peak 251 from cnoeabs.peaks (1.52, 0.80, 16.81 ppm; 3.11 A): 3 out of 11 assignments used, quality = 1.00: * HB ILE 7 + QG2 ILE 7 OK 100 100 - 100 - 2.1=100 HB2 LEU 14 + QG2 ILE 7 OK 57 100 - 58 - 247/3.0=8, 244=5...(31) HG LEU 2 + QG2 ILE 7 OK 50 97 - 52 - 73=6, 2.1/254=5...(30) HG LEU 6 - QG2 ILE 7 OK 37 100 - 37 - 3.7/8256=12, 216/4.0=5...(14) HG12 ILE 56 - QG2 ILE 7 OK 29 94 - 31 - 3.9/8255=6, 275/3.0=2...(16) HG3 ARG 30 - QG2 ILE 7 OK 13 96 - 13 - 2.9/8719=2, 6075/4.0=1...(4) HG2 ARG 79 - QG2 ILE 7 lone 6 87 - 6 - HG3 ARG 79 - QG2 ILE 7 lone 5 84 - 6 - HB3 LEU 103 - QG2 ILE 7 lone 5 100 - 5 - HG3 LYS 33 - QG2 ILE 7 lone 3 65 - 4 - HG3 LYS 24 - QG2 ILE 7 lone 2 81 - 3 - Peak 252 from cnoeabs.peaks (0.80, 0.80, 16.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 7 + QG2 ILE 7 OK 100 100 - 100 Peak 253 from cnoeabs.peaks (1.42, 0.80, 16.81 ppm; 3.46 A): 2 out of 7 assignments used, quality = 1.00: * HG12 ILE 7 + QG2 ILE 7 OK 100 100 - 100 - 3.2=100 HG13 ILE 76 + QG2 ILE 7 OK 51 87 - 59 - 1.8/3439=7, 269/3.2=6...(29) HG LEU 29 - QG2 ILE 7 OK 37 90 - 41 - 2.1/10501=13, 3.0/8282=5...(13) QB ALA 22 - QG2 ILE 7 OK 23 90 - 25 - 8586/4.0=4, 2.9/256=3...(10) HG2 LYS 13 - QG2 ILE 7 OK 18 98 - 18 - 10394=3, 277/3.0=2...(7) HG3 LYS 39 - QG2 ILE 7 OK 15 70 - 22 - 1.8/10569=3, 3.0/8956=2...(7) QB ALA 71 - QG2 ILE 7 lone 6 81 - 8 - 12176=1 Peak 254 from cnoeabs.peaks (0.89, 0.80, 16.81 ppm; 3.24 A): 4 out of 5 assignments used, quality = 1.00: * HG13 ILE 7 + QG2 ILE 7 OK 100 100 - 100 - 3.2=100 HG13 ILE 8 + QG2 ILE 7 OK 65 98 - 66 - 316=7, 4.6/256=7...(27) QG2 ILE 76 + QG2 ILE 7 OK 51 92 - 56 - 3431=8, 2.1/3423=5...(23) QD1 LEU 2 + QG2 ILE 7 OK 50 90 - 56 - 2.1/251=5, 88/2.1=5...(32) QG1 VAL 32 - QG2 ILE 7 OK 17 81 - 21 - 2.1/12056=4, ~1398=2...(11) Peak 255 from cnoeabs.peaks (0.62, 0.80, 16.81 ppm; 2.85 A): 1 out of 1 assignment used, quality = 0.94: * QD1 ILE 7 + QG2 ILE 7 OK 94 100 - 94 - 3.0=87, 239/3.0=15...(10) Peak 256 from cnoeabs.peaks (8.80, 0.80, 16.81 ppm; 3.87 A): 2 out of 3 assignments used, quality = 0.97: * H ILE 8 + QG2 ILE 7 OK 94 100 - 94 - 4.4=70, 6092/3.0=29...(21) H SER 59 + QG2 ILE 7 OK 53 100 - 53 - 9396=10, 240/3.0=8...(13) H ALA 22 - QG2 ILE 7 OK 17 65 - 26 - 8569/8283=3, 2.9/253=3...(11) Peak 257 from cnoeabs.peaks (8.46, 1.42, 27.84 ppm; 4.34 A): 2 out of 3 assignments used, quality = 0.99: * H ILE 7 + HG12 ILE 7 OK 99 100 - 99 - 4.5=92, 6083/2.1=42...(13) H LEU 29 + HG12 ILE 7 OK 49 97 - 50 - 249/3.2=9, 265/1.8=8...(15) H LYS 53 - HG12 ILE 7 OK 33 94 - 35 - 265/1.8=7, 9178/3.9=6...(9) Peak 258 from cnoeabs.peaks (5.13, 1.42, 27.84 ppm; 4.09 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 7 + HG12 ILE 7 OK 100 100 - 100 - 3.9=100 HA LEU 3 - HG12 ILE 7 OK 44 100 - 45 - 266/1.8=8, 250/3.2=8...(11) HA TYR 4 - HG12 ILE 7 OK 29 87 - 34 - 3.6/8246=8, 266/1.8=5...(9) HA SER 85 - HG12 ILE 7 OK 24 99 - 24 - 266/1.8=4, 274/2.1=4...(9) Peak 259 from cnoeabs.peaks (1.52, 1.42, 27.84 ppm; 4.36 A): 3 out of 11 assignments used, quality = 1.00: * HB ILE 7 + HG12 ILE 7 OK 100 100 - 100 - 2.9=100 HB2 LEU 14 + HG12 ILE 7 OK 80 100 - 80 - 247/2.1=17, 3.1/12015=16...(26) HG LEU 2 + HG12 ILE 7 OK 71 97 - 73 - 74/1.8=10, 275/2.1=8...(27) HG12 ILE 56 - HG12 ILE 7 OK 44 94 - 46 - 1.8/10273=6, 2.1/10273=5...(19) HG LEU 6 - HG12 ILE 7 OK 41 100 - 41 - 216/4.5=9, 8224/3.9=8...(11) HG3 ARG 30 - HG12 ILE 7 OK 21 96 - 22 - ~8719=3, 4.9/6479=2...(10) HG2 ARG 79 - HG12 ILE 7 poor 9 87 - 10 - 216/4.5=1 HG3 ARG 79 - HG12 ILE 7 lone 8 84 - 9 - 6075/4.5=1 HB3 LEU 103 - HG12 ILE 7 lone 8 100 - 8 - HG3 LYS 24 - HG12 ILE 7 lone 4 81 - 5 - HG3 LYS 33 - HG12 ILE 7 lone 4 65 - 6 - Peak 260 from cnoeabs.peaks (0.80, 1.42, 27.84 ppm; 3.48 A): 6 out of 8 assignments used, quality = 1.00: * QG2 ILE 7 + HG12 ILE 7 OK 100 100 - 100 - 3.2=100 QD2 LEU 57 + HG12 ILE 7 OK 60 100 - 60 - 3.1/12134=11, ~8281=7...(18) QD1 ILE 76 + HG12 ILE 7 OK 57 100 - 57 - 3452/1.8=9, 3454=5...(24) QG2 ILE 8 + HG12 ILE 7 OK 56 87 - 64 - 4.0/264=9, 302/1.8=7...(27) QG2 ILE 15 + HG12 ILE 7 OK 53 90 - 59 - ~8261=12, ~8470=10...(20) QD2 LEU 2 + HG12 ILE 7 OK 52 92 - 57 - 82/1.8=7, 2.1/262=6...(25) QD2 LEU 70 - HG12 ILE 7 lone 8 94 - 9 - QD1 LEU 70 - HG12 ILE 7 lone 5 70 - 7 - Peak 261 from cnoeabs.peaks (1.42, 1.42, 27.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 7 + HG12 ILE 7 OK 100 100 - 100 Peak 262 from cnoeabs.peaks (0.89, 1.42, 27.84 ppm; 2.90 A): 2 out of 5 assignments used, quality = 1.00: * HG13 ILE 7 + HG12 ILE 7 OK 100 100 - 100 - 1.8=100 HG13 ILE 8 + HG12 ILE 7 OK 50 98 - 51 - 278/2.1=6, 4.6/264=5...(20) QD1 LEU 2 - HG12 ILE 7 OK 38 90 - 43 - 278/2.1=5, 88/2.9=3...(22) QG2 ILE 76 - HG12 ILE 7 OK 38 92 - 42 - 278/2.1=4, 254/3.2=3...(18) QG1 VAL 32 - HG12 ILE 7 OK 13 81 - 15 - ~1398=3, ~1410=2...(8) Peak 263 from cnoeabs.peaks (0.62, 1.42, 27.84 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 7 + HG12 ILE 7 OK 100 100 - 100 - 2.1=100 Peak 264 from cnoeabs.peaks (8.80, 1.42, 27.84 ppm; 4.31 A): 2 out of 3 assignments used, quality = 0.95: * H ILE 8 + HG12 ILE 7 OK 90 100 - 90 - 6092/2.1=40, 6087/3.9=24...(18) H SER 59 + HG12 ILE 7 OK 50 100 - 50 - 272/1.8=11, 256/3.2=11...(12) H ALA 22 - HG12 ILE 7 OK 18 65 - 28 - 280/2.1=4, 272/1.8=4...(11) Peak 265 from cnoeabs.peaks (8.46, 0.89, 27.84 ppm; 4.74 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 7 + HG13 ILE 7 OK 100 100 - 100 - 4.5=100 H LEU 29 + HG13 ILE 7 OK 47 97 - 48 - 257/1.8=12, 249/3.2=10...(10) H LYS 53 - HG13 ILE 7 OK 39 94 - 41 - 257/1.8=8, 9178/3.9=7...(10) Peak 266 from cnoeabs.peaks (5.13, 0.89, 27.84 ppm; 4.41 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 7 + HG13 ILE 7 OK 100 100 - 100 - 3.9=100 HA LEU 3 + HG13 ILE 7 OK 50 100 - 50 - 258/1.8=9, 274/2.1=9...(12) HA TYR 4 - HG13 ILE 7 OK 32 87 - 36 - 3.6/8250=8, 258/1.8=6...(8) HA SER 85 - HG13 ILE 7 OK 25 99 - 25 - 258/1.8=5, 274/2.1=5...(7) Peak 267 from cnoeabs.peaks (1.52, 0.89, 27.84 ppm; 3.89 A): 3 out of 11 assignments used, quality = 1.00: * HB ILE 7 + HG13 ILE 7 OK 100 100 - 100 - 2.9=100 HB2 LEU 14 + HG13 ILE 7 OK 70 100 - 70 - 247/2.1=15, ~12015=9...(26) HG LEU 2 + HG13 ILE 7 OK 66 97 - 68 - 74=8, 2.1/82=7...(28) HG LEU 6 - HG13 ILE 7 OK 33 100 - 33 - 216/4.5=7, 8224/3.9=6...(10) HG12 ILE 56 - HG13 ILE 7 OK 33 94 - 35 - 1.8/10271=5, 275/2.1=4...(15) HG3 ARG 30 - HG13 ILE 7 OK 16 96 - 16 - ~8719=2, 275/2.1=2...(7) HB3 LEU 103 - HG13 ILE 7 lone 7 100 - 7 - HG2 ARG 79 - HG13 ILE 7 lone 7 87 - 8 - 216/4.5=1 HG3 LYS 33 - HG13 ILE 7 lone 7 65 - 10 - 4.9/6517=2, 3.9/10519=2 HG3 ARG 79 - HG13 ILE 7 lone 6 84 - 7 - HG3 LYS 24 - HG13 ILE 7 lone 3 81 - 4 - Peak 268 from cnoeabs.peaks (0.80, 0.89, 27.84 ppm; 3.88 A): 6 out of 8 assignments used, quality = 1.00: * QG2 ILE 7 + HG13 ILE 7 OK 100 100 - 100 - 3.2=100 QD2 LEU 57 + HG13 ILE 7 OK 70 100 - 70 - 3.1/8281=14, ~12134=10...(17) QD1 ILE 76 + HG13 ILE 7 OK 67 100 - 67 - 2.1/269=9, 3452=9...(25) QG2 ILE 8 + HG13 ILE 7 OK 65 87 - 75 - 4.0/272=10, 2.1/294=10...(28) QG2 ILE 15 + HG13 ILE 7 OK 64 90 - 71 - ~8261=16, ~8470=13...(24) QD2 LEU 2 + HG13 ILE 7 OK 63 92 - 68 - 2.1/74=7, 82=6...(28) QD2 LEU 70 - HG13 ILE 7 OK 11 94 - 12 - 276/2.1=1 QD1 LEU 70 - HG13 ILE 7 lone 7 70 - 10 - Peak 269 from cnoeabs.peaks (1.42, 0.89, 27.84 ppm; 2.94 A): 1 out of 7 assignments used, quality = 1.00: * HG12 ILE 7 + HG13 ILE 7 OK 100 100 - 100 - 1.8=100 HG13 ILE 76 - HG13 ILE 7 OK 39 87 - 45 - 2.1/3452=5, 277/2.1=5...(21) HG LEU 29 - HG13 ILE 7 OK 21 90 - 23 - 277/2.1=3, ~10501=3...(10) QB ALA 22 - HG13 ILE 7 OK 14 90 - 15 - 8586/4.5=2, 277/2.1=2...(8) HG2 LYS 13 - HG13 ILE 7 OK 10 98 - 11 - 277/2.1=2, 10394/3.2=2 HG3 LYS 39 - HG13 ILE 7 poor 9 70 - 12 - 277/2.1=1, ~12172=1...(4) QB ALA 71 - HG13 ILE 7 lone 5 81 - 6 - Peak 270 from cnoeabs.peaks (0.89, 0.89, 27.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 7 + HG13 ILE 7 OK 100 100 - 100 Peak 271 from cnoeabs.peaks (0.62, 0.89, 27.84 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 7 + HG13 ILE 7 OK 100 100 - 100 - 2.1=100 Peak 272 from cnoeabs.peaks (8.80, 0.89, 27.84 ppm; 4.73 A): 2 out of 3 assignments used, quality = 0.97: * H ILE 8 + HG13 ILE 7 OK 94 100 - 94 - 6092/2.1=45, 6087/3.9=28...(18) H SER 59 + HG13 ILE 7 OK 57 100 - 58 - 264/1.8=14, 256/3.2=12...(13) H ALA 22 - HG13 ILE 7 OK 22 65 - 33 - 264/1.8=5, 280/2.1=5...(12) Peak 273 from cnoeabs.peaks (8.46, 0.62, 13.69 ppm; 5.01 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 7 + QD1 ILE 7 OK 100 100 - 100 - 4.7=100 H LEU 29 + QD1 ILE 7 OK 55 97 - 56 - 257/2.1=12, 249/3.0=11...(12) H LYS 53 - QD1 ILE 7 OK 39 94 - 41 - 265/2.1=9, 257/2.1=8...(9) Peak 274 from cnoeabs.peaks (5.13, 0.62, 13.69 ppm; 4.44 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 7 + QD1 ILE 7 OK 100 100 - 100 - 4.2=100 HA LEU 3 + QD1 ILE 7 OK 50 100 - 50 - 250/3.0=9, 258/2.1=9...(11) HA TYR 4 - QD1 ILE 7 OK 30 87 - 35 - 3.6/10377=8, 258/2.1=6...(9) HA SER 85 - QD1 ILE 7 OK 27 99 - 27 - 258/2.1=5, 266/2.1=5...(9) Peak 275 from cnoeabs.peaks (1.52, 0.62, 13.69 ppm; 3.54 A): 3 out of 11 assignments used, quality = 1.00: * HB ILE 7 + QD1 ILE 7 OK 100 100 - 100 - 3.2=100 HB2 LEU 14 + QD1 ILE 7 OK 69 100 - 69 - 247=18, 3.1/10272=8...(27) HG LEU 2 + QD1 ILE 7 OK 58 97 - 60 - 74/2.1=7, 3.0/12172=7...(25) HG12 ILE 56 - QD1 ILE 7 OK 33 94 - 35 - 1.8/10272=5, 2.1/10272=5...(12) HG LEU 6 - QD1 ILE 7 OK 31 100 - 31 - 216/4.7=6, 8224/4.2=5...(12) HG3 ARG 30 - QD1 ILE 7 OK 16 96 - 17 - 4.9/10380=4, ~8719=2...(7) HG2 ARG 79 - QD1 ILE 7 lone 6 87 - 7 - HB3 LEU 103 - QD1 ILE 7 lone 6 100 - 6 - HG3 ARG 79 - QD1 ILE 7 lone 6 84 - 6 - HG3 LYS 33 - QD1 ILE 7 lone 3 65 - 5 - HG3 LYS 24 - QD1 ILE 7 lone 3 81 - 4 - Peak 276 from cnoeabs.peaks (0.80, 0.62, 13.69 ppm; 2.90 A): 3 out of 8 assignments used, quality = 0.99: * QG2 ILE 7 + QD1 ILE 7 OK 96 100 - 96 - 3.0=92, 3.0/239=16...(11) QD2 LEU 57 + QD1 ILE 7 OK 49 100 - 49 - 4.0/9350=9, 3.1/9355=7...(20) QG2 ILE 15 + QD1 ILE 7 OK 45 90 - 51 - 3.2/8261=15, 3.0/8469=9...(14) QG2 ILE 8 - QD1 ILE 7 OK 43 87 - 50 - 4.0/6092=12, 3.0/10272=5...(21) QD2 LEU 2 - QD1 ILE 7 OK 42 92 - 46 - 82/2.1=5, 2.1/278=5...(20) QD1 ILE 76 - QD1 ILE 7 OK 41 100 - 41 - 3452/2.1=6, 2.1/277=5...(18) QD2 LEU 70 - QD1 ILE 7 lone 8 94 - 8 - QD1 LEU 70 - QD1 ILE 7 lone 5 70 - 7 - Peak 277 from cnoeabs.peaks (1.42, 0.62, 13.69 ppm; 3.35 A): 1 out of 7 assignments used, quality = 1.00: * HG12 ILE 7 + QD1 ILE 7 OK 100 100 - 100 - 2.1=100 HG13 ILE 76 - QD1 ILE 7 OK 45 87 - 52 - 269/2.1=7, 253/3.0=5...(23) HG LEU 29 - QD1 ILE 7 OK 27 90 - 30 - ~10501=4, 269/2.1=4...(12) QB ALA 22 - QD1 ILE 7 OK 19 90 - 21 - 8586/4.7=3, 269/2.1=3...(8) HG2 LYS 13 - QD1 ILE 7 OK 18 98 - 18 - 10394/3.0=2, 269/2.1=2...(8) HG3 LYS 39 - QD1 ILE 7 OK 13 70 - 18 - 1.8/12172=3, 269/2.1=2...(5) QB ALA 71 - QD1 ILE 7 lone 6 81 - 7 - Peak 278 from cnoeabs.peaks (0.89, 0.62, 13.69 ppm; 3.33 A): 4 out of 5 assignments used, quality = 1.00: * HG13 ILE 7 + QD1 ILE 7 OK 100 100 - 100 - 2.1=100 HG13 ILE 8 + QD1 ILE 7 OK 63 98 - 65 - 4.6/6092=13, 2.1/10272=9...(25) QD1 LEU 2 + QD1 ILE 7 OK 50 90 - 56 - 3.1/12172=6, 262/2.1=6...(27) QG2 ILE 76 + QD1 ILE 7 OK 46 92 - 50 - 262/2.1=6, 254/3.0=5...(25) QG1 VAL 32 - QD1 ILE 7 OK 16 81 - 20 - ~1398=3, ~1410=3...(10) Peak 279 from cnoeabs.peaks (0.62, 0.62, 13.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 7 + QD1 ILE 7 OK 100 100 - 100 Peak 280 from cnoeabs.peaks (8.80, 0.62, 13.69 ppm; 4.93 A): 2 out of 3 assignments used, quality = 0.99: * H ILE 8 + QD1 ILE 7 OK 97 100 - 97 - 6092=50, 4.4/255=39...(20) H SER 59 + QD1 ILE 7 OK 60 100 - 60 - 264/2.1=14, 256/3.0=14...(13) H ALA 22 - QD1 ILE 7 OK 27 65 - 40 - 6341/8260=6, 8569/8278=6...(13) Peak 281 from cnoeabs.peaks (8.80, 4.61, 60.23 ppm; 6.50 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 8 + HA ILE 8 OK 100 100 - 100 - 3.0=100 H SER 59 + HA ILE 8 OK 75 100 - 76 - 289/3.0=20, 305/4.1=18...(13) H ALA 22 - HA ILE 8 OK 17 65 - 26 - ~6090=4, ~1008=4...(10) Peak 282 from cnoeabs.peaks (4.61, 4.61, 60.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 8 + HA ILE 8 OK 100 100 - 100 Peak 283 from cnoeabs.peaks (1.90, 4.61, 60.23 ppm; 4.23 A): 2 out of 8 assignments used, quality = 1.00: * HB ILE 8 + HA ILE 8 OK 100 100 - 100 - 3.0=100 HB3 LEU 14 + HA ILE 8 OK 67 97 - 70 - 6094/3.0=8, 3.0/285=7...(30) HB2 ARG 19 - HA ILE 8 OK 39 100 - 39 - 8514/3.2=5, ~12205=5...(15) HB2 LYS 20 - HA ILE 8 OK 28 98 - 29 - ~12205=4, 299/3.2=3...(13) HB VAL 54 - HA ILE 8 OK 28 92 - 30 - 12126/4.1=5, 9233/4.1=5...(12) HG LEU 42 - HA ILE 8 OK 18 100 - 18 - 6094/3.0=2, 6103/3.6=2...(10) HB3 LYS 13 - HA ILE 8 OK 17 61 - 28 - 4.0/8390=20, 4.6/8419=4, ~6090=1 HB2 GLU 43 - HA ILE 8 OK 17 90 - 19 - ~10608=3, 299/3.2=2...(10) Peak 284 from cnoeabs.peaks (0.79, 4.61, 60.23 ppm; 3.60 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 8 + HA ILE 8 OK 100 100 - 100 - 3.2=100 QG2 ILE 7 + HA ILE 8 OK 65 87 - 75 - 256/3.0=11, ~6092=10...(32) QD2 LEU 57 - HA ILE 8 OK 35 94 - 37 - ~8288=6, ~8289=5...(14) QG2 ILE 52 - HA ILE 8 OK 30 96 - 31 - 298=4, 292/3.0=4...(12) QD1 ILE 76 - HA ILE 8 OK 29 81 - 36 - ~9629=5, 3.2/286=4...(17) QD1 LEU 6 - HA ILE 8 poor 8 73 - 11 - ~8288=3, ~6088=2, 6095/3.0=2 QD1 LEU 27 - HA ILE 8 lone 5 65 - 7 - QD1 ILE 93 - HA ILE 8 lone 3 70 - 4 - Peak 285 from cnoeabs.peaks (1.36, 4.61, 60.23 ppm; 4.16 A): 2 out of 9 assignments used, quality = 1.00: * HG12 ILE 8 + HA ILE 8 OK 100 100 - 100 - 4.1=100 HG LEU 14 + HA ILE 8 OK 54 84 - 64 - 6096/3.0=8, 293/3.0=8...(25) HB3 ARG 30 - HA ILE 8 OK 20 96 - 21 - 6105/3.6=5, 6096/3.0=3...(7) HB2 LEU 70 - HA ILE 8 OK 18 98 - 18 - 9543/4.1=3, 293/3.0=3...(6) HG3 LYS 40 - HA ILE 8 OK 17 99 - 17 - 1827/3.6=5, 293/3.0=2...(8) HG3 LYS 94 - HA ILE 8 poor 7 65 - 11 - 3.7/11008=4 HB3 LEU 27 - HA ILE 8 lone 6 61 - 9 - 4.4/288=1 HG2 LYS 39 - HA ILE 8 lone 6 65 - 9 - 6096/3.0=1 HG3 LYS 68 - HA ILE 8 lone 5 81 - 6 - Peak 286 from cnoeabs.peaks (0.89, 4.61, 60.23 ppm; 4.42 A): 3 out of 4 assignments used, quality = 1.00: * HG13 ILE 8 + HA ILE 8 OK 100 100 - 100 - 4.1=100 HG13 ILE 7 + HA ILE 8 OK 84 98 - 85 - ~6092=22, 272/3.0=15...(26) QG2 ILE 76 + HA ILE 8 OK 58 99 - 59 - 9629/3.0=16, 6106/3.6=9...(20) QD1 LEU 2 - HA ILE 8 OK 25 99 - 25 - 6097/3.0=5, 294/3.0=4...(9) Peak 287 from cnoeabs.peaks (0.71, 4.61, 60.23 ppm; 4.15 A): 5 out of 8 assignments used, quality = 1.00: * QD1 ILE 8 + HA ILE 8 OK 100 100 - 100 - 4.1=100 QG1 VAL 58 + HA ILE 8 OK 75 90 - 84 - ~8301=16, ~8298=14...(20) QD2 LEU 14 + HA ILE 8 OK 68 100 - 69 - 2.1/285=8, 10412/3.6=8...(29) HG13 ILE 56 + HA ILE 8 OK 58 99 - 59 - ~10383=12, 2.1/322=9...(18) QD1 ILE 56 + HA ILE 8 OK 57 100 - 57 - ~10383=13, 322=11...(16) QD1 ILE 52 - HA ILE 8 OK 23 77 - 30 - 10640/4.1=4, 3.1/284=4...(14) QG2 VAL 78 - HA ILE 8 OK 12 87 - 13 - ~10349=3, ~10348=2, 295/3.0=1 QG1 VAL 5 - HA ILE 8 lone 4 70 - 6 - 6098/3.0=1 Peak 288 from cnoeabs.peaks (7.81, 4.61, 60.23 ppm; 3.42 A): 1 out of 6 assignments used, quality = 0.95: * H SER 9 + HA ILE 8 OK 95 100 - 95 - 3.6=88, 6101/3.0=14...(14) H LYS 66 - HA ILE 8 OK 18 94 - 19 - 304/3.2=3, 6099/3.0=2...(8) H TYR 41 - HA ILE 8 OK 17 87 - 19 - 8869/3.2=3, 8882/3.0=3...(7) H LYS 20 - HA ILE 8 poor 9 61 - 14 - 304/3.2=2, 4.1/283=2...(6) H GLU 28 - HA ILE 8 lone 7 84 - 8 - 6099/3.0=2, 304/3.2=1 H GLU 99 - HA ILE 8 lone 2 70 - 2 - Peak 289 from cnoeabs.peaks (8.80, 1.90, 37.66 ppm; 3.60 A): 2 out of 3 assignments used, quality = 0.99: * H ILE 8 + HB ILE 8 OK 96 100 - 96 - 3.8=87, 297/2.1=17...(14) H SER 59 + HB ILE 8 OK 69 100 - 69 - 3.6/8300=23, 4.4/8301=14...(14) H ALA 22 - HB ILE 8 lone 6 65 - 9 - 297/2.1=1, 4.6/6324=1...(4) Peak 290 from cnoeabs.peaks (4.61, 1.90, 37.66 ppm; 4.14 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 8 + HB ILE 8 OK 100 100 - 100 - 3.0=100 HA ASP 11 + HB ILE 8 OK 45 77 - 59 - 298/2.1=9, 314/2.9=8...(17) HB THR 34 - HB ILE 8 lone 7 73 - 9 - 306/2.9=2, 298/2.1=2...(5) HA HIS 105 - HB ILE 8 lone 3 65 - 4 - Peak 291 from cnoeabs.peaks (1.90, 1.90, 37.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 8 + HB ILE 8 OK 100 100 - 100 Peak 292 from cnoeabs.peaks (0.79, 1.90, 37.66 ppm; 3.21 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 8 + HB ILE 8 OK 100 100 - 100 - 2.1=100 QG2 ILE 7 + HB ILE 8 OK 54 87 - 62 - 4.4/289=8, 3.0/8299=8...(34) QG2 ILE 52 - HB ILE 8 OK 32 96 - 34 - 316/2.9=3, 308/2.9=3...(15) QD1 ILE 76 - HB ILE 8 OK 27 81 - 33 - 3.2/294=4, 316/2.9=3...(19) QD2 LEU 57 - HB ILE 8 OK 23 94 - 24 - 10696/3.2=3, 6095/3.8=3...(11) QD1 LEU 6 - HB ILE 8 lone 5 73 - 7 - QD1 LEU 27 - HB ILE 8 lone 5 65 - 7 - QD1 ILE 93 - HB ILE 8 lone 2 70 - 3 - Peak 293 from cnoeabs.peaks (1.36, 1.90, 37.66 ppm; 3.78 A): 2 out of 9 assignments used, quality = 1.00: * HG12 ILE 8 + HB ILE 8 OK 100 100 - 100 - 2.9=100 HG LEU 14 + HB ILE 8 OK 61 84 - 73 - 2.1/629=7, 301/2.1=7...(38) HB3 ARG 30 - HB ILE 8 OK 22 96 - 23 - 6105/4.4=3, 8719/2.1=3...(11) HB2 LEU 70 - HB ILE 8 OK 22 98 - 22 - 9543/3.2=3, 317/2.9=3...(8) HG3 LYS 40 - HB ILE 8 OK 18 99 - 18 - 1827/4.4=3, 301/2.1=2...(7) HB3 LEU 27 - HB ILE 8 poor 7 61 - 11 - HG3 LYS 94 - HB ILE 8 poor 7 65 - 10 - HG2 LYS 39 - HB ILE 8 lone 6 65 - 10 - HG3 LYS 68 - HB ILE 8 lone 6 81 - 7 - Peak 294 from cnoeabs.peaks (0.89, 1.90, 37.66 ppm; 3.90 A): 3 out of 4 assignments used, quality = 1.00: * HG13 ILE 8 + HB ILE 8 OK 100 100 - 100 - 2.9=100 HG13 ILE 7 + HB ILE 8 OK 74 98 - 75 - 3.9/8299=10, 272/3.8=10...(30) QG2 ILE 76 + HB ILE 8 OK 58 99 - 58 - 9629/3.8=11, 302/2.1=8...(22) QD1 LEU 2 - HB ILE 8 OK 26 99 - 27 - 6097/3.8=3, 302/2.1=3...(12) Peak 295 from cnoeabs.peaks (0.71, 1.90, 37.66 ppm; 3.24 A): 5 out of 8 assignments used, quality = 1.00: * QD1 ILE 8 + HB ILE 8 OK 100 100 - 100 - 3.2=100 QG1 VAL 58 + HB ILE 8 OK 65 90 - 73 - 3.2/8300=21, 2.1/8301=16...(21) QD2 LEU 14 + HB ILE 8 OK 63 100 - 63 - 629=9, 2.1/293=6...(34) HG13 ILE 56 + HB ILE 8 OK 56 99 - 57 - 3.2/10383=14...(24) QD1 ILE 56 + HB ILE 8 OK 56 100 - 56 - 3.0/10383=14, 323=5...(20) QD1 ILE 52 - HB ILE 8 OK 22 77 - 28 - 10640/2.9=3, 3.1/292=3...(12) QG2 VAL 78 - HB ILE 8 OK 13 87 - 15 - 2.1/10349=3, 3.2/10348=2 QG1 VAL 5 - HB ILE 8 lone 3 70 - 5 - Peak 296 from cnoeabs.peaks (7.81, 1.90, 37.66 ppm; 5.29 A): 1 out of 6 assignments used, quality = 1.00: * H SER 9 + HB ILE 8 OK 100 100 - 100 - 4.4=100 H LYS 66 - HB ILE 8 OK 44 94 - 47 - 312/2.9=6, 304/2.1=6...(13) H TYR 41 - HB ILE 8 OK 44 87 - 50 - 8869/2.1=9, 8882=7...(12) H LYS 20 - HB ILE 8 OK 31 61 - 51 - 4.9/819=5, 4.1/801=5...(19) H GLU 28 - HB ILE 8 OK 17 84 - 20 - 6099/3.8=4, 312/2.9=2...(7) H GLU 99 - HB ILE 8 lone 5 70 - 7 - Peak 297 from cnoeabs.peaks (8.80, 0.79, 17.45 ppm; 3.73 A): 2 out of 6 assignments used, quality = 0.97: * H ILE 8 + QG2 ILE 8 OK 93 100 - 93 - 4.0=80, 289/2.1=20...(14) H SER 59 + QG2 ILE 8 OK 59 100 - 59 - 3.6/8302=17, 289/2.1=14...(12) H ILE 8 - QG2 ILE 52 OK 12 45 - 27 - 6095=4, 3.8/292=3...(10) H ALA 22 - QG2 ILE 8 lone 6 65 - 9 - 289/2.1=1, 6101/4.1=1...(4) H SER 59 - QG2 ILE 52 poor 5 45 - 11 - 3.6/8302=2, 6960/3.1=1 H ALA 22 - QG2 ILE 52 lone 1 24 - 4 - 8567=1 Peak 298 from cnoeabs.peaks (4.61, 0.79, 17.45 ppm; 3.42 A): 1 out of 8 assignments used, quality = 1.00: * HA ILE 8 + QG2 ILE 8 OK 100 100 - 100 - 3.2=100 HA ASP 11 - QG2 ILE 8 OK 30 77 - 40 - 290/2.1=7, 314/3.1=5...(16) HA ILE 8 - QG2 ILE 52 OK 13 45 - 29 - 284=5, 3.0/292=4...(10) HB THR 34 - QG2 ILE 8 lone 5 73 - 7 - 290/2.1=1, 306/3.1=1 HA HIS 105 - QG2 ILE 8 lone 2 65 - 3 - HA ASP 11 - QG2 ILE 52 lone 1 29 - 5 - HB THR 34 - QG2 ILE 52 lone 0 27 - 1 - HA HIS 105 - QG2 ILE 52 lone 0 24 - 1 - Peak 299 from cnoeabs.peaks (1.90, 0.79, 17.45 ppm; 3.13 A): 2 out of 16 assignments used, quality = 1.00: * HB ILE 8 + QG2 ILE 8 OK 100 100 - 100 - 2.1=100 HB3 LEU 14 + QG2 ILE 8 OK 50 97 - 52 - 3.0/301=4, 307/3.1=4...(30) HB2 ARG 19 - QG2 ILE 8 OK 37 100 - 37 - 1.8/12205=6, 3.0/8519=4...(19) HB2 LYS 20 - QG2 ILE 8 OK 27 98 - 28 - 1.8/12205=5, 307/3.1=2...(12) HB VAL 54 - QG2 ILE 8 OK 18 92 - 20 - 12126/3.0=4, 9233/3.1=3...(10) HG LEU 42 - QG2 ILE 52 OK 17 45 - 37 - ~10599=6, 1932/3.1=4...(19) HB ILE 8 - QG2 ILE 52 OK 15 45 - 34 - 292=6, 2.9/316=3...(15) HB2 GLU 43 - QG2 ILE 8 OK 15 90 - 17 - 1.8/10608=2, 3.0/8309=2...(7) HG LEU 42 - QG2 ILE 8 OK 12 100 - 12 - 315/3.1=1 HB VAL 54 - QG2 ILE 52 poor 9 37 - 24 - ~10654=5, ~9240=5...(8) HB2 LYS 20 - QG2 ILE 52 poor 7 42 - 16 - 863/3.2=1, 864/2.1=1, ~9171=1 HB3 LYS 13 - QG2 ILE 8 lone 4 61 - 6 - 4.6/10397=2 HB3 LEU 14 - QG2 ILE 52 lone 3 41 - 8 - HB2 GLU 43 - QG2 ILE 52 lone 3 36 - 8 - ~10607=1 HB2 ARG 19 - QG2 ILE 52 lone 2 45 - 3 - HB3 LYS 13 - QG2 ILE 52 lone 0 22 - 2 - Peak 300 from cnoeabs.peaks (0.79, 0.79, 17.45 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 8 + QG2 ILE 8 OK 100 100 - 100 QG2 ILE 52 - QG2 ILE 52 OK 40 40 - 100 Peak 301 from cnoeabs.peaks (1.36, 0.79, 17.45 ppm; 3.57 A): 2 out of 18 assignments used, quality = 1.00: * HG12 ILE 8 + QG2 ILE 8 OK 100 100 - 100 - 3.1=100 HG LEU 14 + QG2 ILE 8 OK 53 84 - 63 - 293/2.1=8, 317/3.1=6...(34) HB3 ARG 30 - QG2 ILE 8 OK 20 96 - 21 - 6105/4.1=3, 293/2.1=3...(10) HB2 LEU 70 - QG2 ILE 8 OK 19 98 - 19 - 9543/3.0=3, 293/2.1=3...(7) HG12 ILE 8 - QG2 ILE 52 OK 19 45 - 41 - 308=7, 1.8/316=5...(16) HG3 LYS 40 - QG2 ILE 8 OK 15 99 - 15 - 1827/4.1=3, 293/2.1=2...(6) HG3 LYS 94 - QG2 ILE 8 lone 6 65 - 9 - 2.9/12205=1 HG2 LYS 39 - QG2 ILE 8 lone 6 65 - 9 - HG3 LYS 40 - QG2 ILE 52 poor 6 44 - 13 - 1820/2.1=2, ~1809=1 HB3 LEU 27 - QG2 ILE 8 lone 6 61 - 9 - HG3 LYS 68 - QG2 ILE 8 lone 5 81 - 6 - HB2 LEU 70 - QG2 ILE 52 lone 4 42 - 8 - 9543/3.1=2, ~9544=2 HG LEU 14 - QG2 ILE 52 lone 3 32 - 9 - HB3 LEU 27 - QG2 ILE 52 poor 3 22 - 14 - 1.8/1194=1, ~2347=1 HB3 ARG 30 - QG2 ILE 52 lone 3 40 - 7 - 8718/3.1=2 HG2 LYS 39 - QG2 ILE 52 lone 2 24 - 7 - ~10566=1 HG3 LYS 68 - QG2 ILE 52 lone 1 31 - 2 - HG3 LYS 94 - QG2 ILE 52 lone 0 24 - 2 - Peak 302 from cnoeabs.peaks (0.89, 0.79, 17.45 ppm; 2.89 A): 3 out of 8 assignments used, quality = 0.95: * HG13 ILE 8 + QG2 ILE 8 OK 85 100 - 85 - 3.1=80, 2.1/324=9...(6) HG13 ILE 7 + QG2 ILE 8 OK 48 98 - 49 - 294/2.1=5, 310/3.1=5...(22) QG2 ILE 76 + QG2 ILE 8 OK 38 99 - 39 - 9629/4.0=5, 294/2.1=4...(11) QD1 LEU 2 - QG2 ILE 52 OK 19 43 - 44 - 8049/3.2=9, ~10356=6...(15) QD1 LEU 2 - QG2 ILE 8 OK 16 99 - 16 - 294/2.1=2, 310/3.1=2...(6) HG13 ILE 8 - QG2 ILE 52 OK 13 45 - 29 - 316=4, 10640/3.1=4...(11) QG2 ILE 76 - QG2 ILE 52 poor 6 44 - 14 - 10640/3.1=3, 9636/9199=1...(4) HG13 ILE 7 - QG2 ILE 52 poor 4 42 - 10 - 265/4.3=2, 10640/3.1=2 Peak 303 from cnoeabs.peaks (0.71, 0.79, 17.45 ppm; 2.67 A): 4 out of 16 assignments used, quality = 0.96: * QD1 ILE 8 + QG2 ILE 8 OK 80 100 - 80 - 3.0=74, 2.1/302=9...(6) QG1 VAL 58 + QG2 ILE 8 OK 46 90 - 51 - 3.2/8302=8, ~8301=7...(20) QD2 LEU 14 + QG2 ILE 8 OK 40 100 - 41 - 629/2.1=4, 2.1/301=4...(18) QD1 ILE 56 + QG2 ILE 8 OK 40 100 - 40 - 324=7, ~10383=5...(16) HG13 ILE 56 - QG2 ILE 8 OK 38 99 - 38 - ~10383=5, 2.1/324=4...(20) QD1 ILE 52 - QG2 ILE 52 OK 21 29 - 72 - 3.1=66, 2.1/2369=6...(7) QD1 ILE 52 - QG2 ILE 8 OK 16 77 - 21 - 2377=2, 2.1/2361=2...(7) QD1 ILE 8 - QG2 ILE 52 OK 11 45 - 24 - 324=3, 2.1/316=3...(9) QG2 VAL 78 - QG2 ILE 8 lone 6 87 - 7 - ~10349=1 QD1 ILE 56 - QG2 ILE 52 poor 5 45 - 10 - ~9155=2, 324=1, ~9307=1 HG13 ILE 56 - QG2 ILE 52 lone 4 43 - 9 - ~9155=2, ~9307=1, ~9302=1 QD2 LEU 14 - QG2 ILE 52 lone 3 45 - 7 - QG1 VAL 58 - QG2 ILE 52 lone 2 36 - 7 - QG1 VAL 5 - QG2 ILE 8 lone 2 70 - 3 - QG1 VAL 5 - QG2 ILE 52 lone 1 25 - 2 - QG2 VAL 78 - QG2 ILE 52 lone 0 34 - 1 - Peak 304 from cnoeabs.peaks (7.81, 0.79, 17.45 ppm; 3.87 A): 1 out of 12 assignments used, quality = 0.95: * H SER 9 + QG2 ILE 8 OK 95 100 - 95 - 4.1=83, 6102/3.2=30...(14) H TYR 41 - QG2 ILE 8 OK 30 87 - 35 - 8869=7, 8882/2.1=4...(11) H LYS 66 - QG2 ILE 8 OK 26 94 - 28 - 288/3.2=4, 296/2.1=3...(10) H LYS 20 - QG2 ILE 8 OK 20 61 - 32 - 4.1/12205=5, 4.0/12205=4...(14) H TYR 41 - QG2 ILE 52 OK 10 34 - 30 - 8869=6, 4.0/8873=5...(9) H SER 9 - QG2 ILE 52 OK 10 45 - 22 - 6104=4, 4.4/292=3...(8) H GLU 28 - QG2 ILE 8 OK 10 84 - 12 - 6099/4.0=2, 288/3.2=1...(4) H LYS 66 - QG2 ILE 52 lone 4 39 - 9 - 7077/4.3=1, ~9027=1 H GLU 28 - QG2 ILE 52 lone 3 32 - 9 - 6459/4.3=1 H GLU 99 - QG2 ILE 8 lone 3 70 - 4 - H LYS 20 - QG2 ILE 52 poor 2 22 - 11 - ~9171=2 H GLU 99 - QG2 ILE 52 lone 1 25 - 3 - Peak 305 from cnoeabs.peaks (8.80, 1.36, 26.30 ppm; 4.08 A): 2 out of 3 assignments used, quality = 0.96: * H ILE 8 + HG12 ILE 8 OK 90 100 - 90 - 4.6=68, 289/2.9=20...(15) H SER 59 + HG12 ILE 8 OK 63 100 - 63 - 3.6/8304=16, 289/2.9=14...(11) H ALA 22 - HG12 ILE 8 poor 7 65 - 10 - 313/1.8=2, 8570=1...(5) Peak 306 from cnoeabs.peaks (4.61, 1.36, 26.30 ppm; 4.27 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 8 + HG12 ILE 8 OK 100 100 - 100 - 4.1=100 HA ASP 11 - HG12 ILE 8 OK 37 77 - 48 - 314/1.8=10, 290/2.9=9...(12) HB THR 34 - HG12 ILE 8 poor 8 73 - 10 - 314/1.8=2, 290/2.9=2...(6) HA HIS 105 - HG12 ILE 8 lone 3 65 - 4 - Peak 307 from cnoeabs.peaks (1.90, 1.36, 26.30 ppm; 3.72 A): 2 out of 8 assignments used, quality = 1.00: * HB ILE 8 + HG12 ILE 8 OK 100 100 - 100 - 2.9=100 HB3 LEU 14 + HG12 ILE 8 OK 63 97 - 66 - 315/1.8=7, 608/2.1=6...(36) HB2 ARG 19 - HG12 ILE 8 OK 43 100 - 43 - 1.8/12204=7, ~12203=5...(17) HB2 LYS 20 - HG12 ILE 8 OK 35 98 - 36 - 1.8/12204=7, ~12203=4...(14) HB VAL 54 - HG12 ILE 8 OK 27 92 - 29 - 12126/2.1=6, 9233/1.8=5...(11) HB2 GLU 43 - HG12 ILE 8 OK 19 90 - 22 - ~10607=3, ~12202=3...(10) HG LEU 42 - HG12 ILE 8 OK 16 100 - 15 - 315/1.8=2, 299/3.1=1...(7) HB3 LYS 13 - HG12 ILE 8 lone 5 61 - 8 - 4.6/6200=1, ~8386=1, 283/4.1=1 Peak 308 from cnoeabs.peaks (0.79, 1.36, 26.30 ppm; 3.61 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 8 + HG12 ILE 8 OK 100 100 - 100 - 3.1=100 QG2 ILE 7 + HG12 ILE 8 OK 64 87 - 74 - 4.4/305=9, 3.0/8312=9...(32) QG2 ILE 52 - HG12 ILE 8 OK 38 96 - 40 - 316/1.8=5, 292/2.9=4...(17) QD1 ILE 76 - HG12 ILE 8 OK 33 81 - 41 - 3.2/310=5, 316/1.8=5...(18) QD2 LEU 57 - HG12 ILE 8 OK 32 94 - 34 - 10696/2.1=5, 4.6/10693=5...(14) QD1 LEU 6 - HG12 ILE 8 lone 7 73 - 9 - 4.6/8233=2 QD1 LEU 27 - HG12 ILE 8 lone 6 65 - 8 - QD1 ILE 93 - HG12 ILE 8 lone 2 70 - 3 - Peak 309 from cnoeabs.peaks (1.36, 1.36, 26.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 8 + HG12 ILE 8 OK 100 100 - 100 Peak 310 from cnoeabs.peaks (0.89, 1.36, 26.30 ppm; 2.99 A): 2 out of 4 assignments used, quality = 1.00: * HG13 ILE 8 + HG12 ILE 8 OK 100 100 - 100 - 1.8=100 HG13 ILE 7 + HG12 ILE 8 OK 51 98 - 52 - 2.1/8312=7, 326/2.1=5...(22) QG2 ILE 76 - HG12 ILE 8 OK 35 99 - 36 - 10877/2.1=6, 9629/4.6=5...(14) QD1 LEU 2 - HG12 ILE 8 OK 16 99 - 16 - 326/2.1=2, 294/2.9=2...(8) Peak 311 from cnoeabs.peaks (0.71, 1.36, 26.30 ppm; 3.19 A): 5 out of 8 assignments used, quality = 1.00: * QD1 ILE 8 + HG12 ILE 8 OK 100 100 - 100 - 2.1=100 QD1 ILE 56 + HG12 ILE 8 OK 58 100 - 58 - 325=8, 3.0/8312=8...(24) QG1 VAL 58 + HG12 ILE 8 OK 58 90 - 64 - ~8301=9, 3.2/8304=9...(21) HG13 ILE 56 + HG12 ILE 8 OK 57 99 - 58 - 10677=8, 3.2/8312=7...(26) QD2 LEU 14 + HG12 ILE 8 OK 54 100 - 54 - 319/1.8=5, 629/2.9=5...(27) QD1 ILE 52 - HG12 ILE 8 OK 20 77 - 26 - 10640/1.8=4, 3.1/308=3...(11) QG2 VAL 78 - HG12 ILE 8 OK 10 87 - 12 - ~10349=2, ~10287=1, 319/1.8=1 QG1 VAL 5 - HG12 ILE 8 lone 4 70 - 6 - 4.1/8233=1 Peak 312 from cnoeabs.peaks (7.81, 1.36, 26.30 ppm; 5.73 A): 3 out of 6 assignments used, quality = 0.97: * H SER 9 + HG12 ILE 8 OK 89 100 - 89 - 6102/4.1=38, 6101/4.6=25...(20) H LYS 66 + HG12 ILE 8 OK 49 94 - 53 - 296/2.9=7, 4.7/8294=7...(14) H TYR 41 + HG12 ILE 8 OK 46 87 - 53 - 8869/3.1=8, 296/2.9=7...(14) H LYS 20 - HG12 ILE 8 OK 29 61 - 48 - 4.1/12204=8, 4.0/12204=8...(15) H GLU 28 - HG12 ILE 8 OK 19 84 - 22 - 6099/4.6=4, 296/2.9=3...(6) H GLU 99 - HG12 ILE 8 lone 5 70 - 8 - Peak 313 from cnoeabs.peaks (8.80, 0.89, 26.30 ppm; 4.66 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 8 + HG13 ILE 8 OK 100 100 - 100 - 4.6=100 H SER 59 + HG13 ILE 8 OK 62 100 - 62 - 305/1.8=18, 289/2.9=17...(13) H ALA 22 - HG13 ILE 8 poor 8 65 - 12 - 305/1.8=2, 289/2.9=2...(5) Peak 314 from cnoeabs.peaks (4.61, 0.89, 26.30 ppm; 4.21 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 8 + HG13 ILE 8 OK 100 100 - 100 - 4.1=100 HA ASP 11 - HG13 ILE 8 OK 37 77 - 48 - 306/1.8=9, 290/2.9=9...(13) HB THR 34 - HG13 ILE 8 lone 7 73 - 9 - 306/1.8=2, 290/2.9=2...(5) HA HIS 105 - HG13 ILE 8 lone 2 65 - 3 - Peak 315 from cnoeabs.peaks (1.90, 0.89, 26.30 ppm; 4.06 A): 3 out of 8 assignments used, quality = 1.00: * HB ILE 8 + HG13 ILE 8 OK 100 100 - 100 - 2.9=100 HB3 LEU 14 + HG13 ILE 8 OK 69 97 - 71 - 307/1.8=9, 3.0/317=8...(32) HB2 ARG 19 + HG13 ILE 8 OK 49 100 - 49 - 1.8/12203=8, 307/1.8=6...(17) HB2 LYS 20 - HG13 ILE 8 OK 40 98 - 40 - 1.8/12203=7, ~12204=5...(15) HB VAL 54 - HG13 ILE 8 OK 35 92 - 38 - 2.1/11070=9, 12126/2.1=7...(12) HB2 GLU 43 - HG13 ILE 8 OK 23 90 - 25 - ~10607=4, ~12202=3...(11) HG LEU 42 - HG13 ILE 8 OK 21 100 - 20 - 4.9/8912=3, 307/1.8=2...(9) HB3 LYS 13 - HG13 ILE 8 lone 5 61 - 7 - ~8386=1, 283/4.1=1 Peak 316 from cnoeabs.peaks (0.79, 0.89, 26.30 ppm; 3.37 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 8 + HG13 ILE 8 OK 100 100 - 100 - 3.1=100 QG2 ILE 7 + HG13 ILE 8 OK 61 87 - 71 - 254=8, 308/1.8=7...(32) QG2 ILE 52 - HG13 ILE 8 OK 37 96 - 39 - 3.1/10640=6, 308/1.8=4...(13) QD1 ILE 76 - HG13 ILE 8 OK 36 81 - 45 - 3452=6, 2.1/3436=5...(18) QD2 LEU 57 - HG13 ILE 8 OK 26 94 - 28 - 10696/2.1=5, 308/1.8=4...(10) QD1 LEU 6 - HG13 ILE 8 lone 6 73 - 8 - QD1 LEU 27 - HG13 ILE 8 lone 5 65 - 7 - QD1 ILE 93 - HG13 ILE 8 lone 2 70 - 3 - Peak 317 from cnoeabs.peaks (1.36, 0.89, 26.30 ppm; 3.14 A): 1 out of 9 assignments used, quality = 1.00: * HG12 ILE 8 + HG13 ILE 8 OK 100 100 - 100 - 1.8=100 HG LEU 14 - HG13 ILE 8 OK 40 84 - 48 - 293/2.9=5, 2.1/319=4...(24) HB2 LEU 70 - HG13 ILE 8 OK 15 98 - 15 - 9543/2.1=3, 293/2.9=2...(6) HB3 ARG 30 - HG13 ILE 8 OK 15 96 - 15 - ~1323=2, 293/2.9=2...(8) HG3 LYS 40 - HG13 ILE 8 OK 10 99 - 10 - 293/2.9=1, 325/2.1=1, 301/3.1=1 HG3 LYS 94 - HG13 ILE 8 lone 5 65 - 7 - HB3 LEU 27 - HG13 ILE 8 lone 4 61 - 6 - HG2 LYS 39 - HG13 ILE 8 lone 4 65 - 6 - HG3 LYS 68 - HG13 ILE 8 lone 3 81 - 3 - Peak 318 from cnoeabs.peaks (0.89, 0.89, 26.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 8 + HG13 ILE 8 OK 100 100 - 100 Peak 319 from cnoeabs.peaks (0.71, 0.89, 26.30 ppm; 3.35 A): 5 out of 8 assignments used, quality = 1.00: * QD1 ILE 8 + HG13 ILE 8 OK 100 100 - 100 - 2.1=100 QG1 VAL 58 + HG13 ILE 8 OK 60 90 - 67 - ~8301=10, 10224/2.9=9...(21) QD1 ILE 56 + HG13 ILE 8 OK 59 100 - 59 - 326=8, ~10383=8...(24) HG13 ILE 56 + HG13 ILE 8 OK 57 99 - 58 - 10677/1.8=8, ~10383=7...(25) QD2 LEU 14 + HG13 ILE 8 OK 57 100 - 57 - 2.1/317=7, 311/1.8=6...(28) QD1 ILE 52 - HG13 ILE 8 OK 27 77 - 35 - 10640=5, 3.1/316=3...(15) QG2 VAL 78 - HG13 ILE 8 OK 12 87 - 14 - ~10349=2, 2.1/10287=1...(4) QG1 VAL 5 - HG13 ILE 8 lone 3 70 - 4 - Peak 320 from cnoeabs.peaks (7.81, 0.89, 26.30 ppm; 6.50 A): 3 out of 6 assignments used, quality = 0.98: * H SER 9 + HG13 ILE 8 OK 93 100 - 93 - 6102/4.1=40, 6101/4.6=29...(20) H LYS 66 + HG13 ILE 8 OK 52 94 - 55 - 312/1.8=10, 296/2.9=8...(13) H TYR 41 + HG13 ILE 8 OK 50 87 - 58 - 312/1.8=9, 8869/3.1=9...(11) H LYS 20 - HG13 ILE 8 OK 32 61 - 53 - 4.1/12203=9, 4.0/12203=8...(14) H GLU 28 - HG13 ILE 8 OK 22 84 - 25 - 6099/4.6=4, 312/1.8=4...(7) H GLU 99 - HG13 ILE 8 lone 6 70 - 9 - 312/1.8=1 Peak 321 from cnoeabs.peaks (8.80, 0.71, 13.69 ppm; 4.39 A): 3 out of 6 assignments used, quality = 0.99: * H ILE 8 + QD1 ILE 8 OK 91 100 - 91 - 5.0=66, 305/2.1=22...(17) H SER 59 + QD1 ILE 8 OK 74 100 - 74 - 305/2.1=16, 289/3.2=15...(16) H ILE 8 + QD1 ILE 56 OK 51 96 - 53 - 3.0/322=8, 6098=6...(17) H SER 59 - QD1 ILE 56 OK 39 96 - 40 - 4.4/8307=6, 6961/2.1=4...(15) H ALA 22 - QD1 ILE 8 poor 7 65 - 11 - 305/2.1=2, 313/2.1=2...(5) H ALA 22 - QD1 ILE 56 lone 3 59 - 5 - Peak 322 from cnoeabs.peaks (4.61, 0.71, 13.69 ppm; 4.32 A): 2 out of 8 assignments used, quality = 1.00: * HA ILE 8 + QD1 ILE 8 OK 100 100 - 100 - 4.1=100 HA ILE 8 + QD1 ILE 56 OK 58 96 - 61 - ~10383=14, 287=7...(17) HA ASP 11 - QD1 ILE 8 OK 40 77 - 52 - 314/2.1=9, 306/2.1=9...(13) HA ASP 11 - QD1 ILE 56 OK 13 70 - 18 - 3.0/8369=3, ~8371=2...(6) HB THR 34 - QD1 ILE 56 poor 9 67 - 13 - ~9326=3, ~8755=2...(6) HB THR 34 - QD1 ILE 8 poor 9 73 - 11 - 306/2.1=2, 314/2.1=2...(5) HA HIS 105 - QD1 ILE 8 lone 3 65 - 4 - HA HIS 105 - QD1 ILE 56 lone 1 59 - 1 - Peak 323 from cnoeabs.peaks (1.90, 0.71, 13.69 ppm; 3.42 A): 4 out of 16 assignments used, quality = 1.00: * HB ILE 8 + QD1 ILE 8 OK 100 100 - 100 - 3.2=100 HB3 LEU 14 + QD1 ILE 56 OK 63 91 - 69 - 608=9, ~11079=8...(34) HB ILE 8 + QD1 ILE 56 OK 59 96 - 62 - 10383/3.0=16, 295=7...(24) HB3 LEU 14 + QD1 ILE 8 OK 59 97 - 61 - 608=8, 307/2.1=6...(33) HB2 ARG 19 - QD1 ILE 8 OK 38 100 - 38 - 1.8/12200=5, 307/2.1=4...(15) HB2 LYS 20 - QD1 ILE 8 OK 30 98 - 31 - 1.8/12200=4, ~12204=3...(10) HB VAL 54 - QD1 ILE 8 OK 25 92 - 27 - 12126=7, 9233/2.1=4...(9) HB2 GLU 43 - QD1 ILE 8 OK 20 90 - 23 - 3.0/10607=5, 1.8/12202=3...(9) HB2 ARG 19 - QD1 ILE 56 OK 18 95 - 19 - 794/3.2=3, 10673/3.0=2...(8) HG LEU 42 - QD1 ILE 8 OK 14 100 - 14 - 315/2.1=2, 307/2.1=1, 299/3.0=1 HB VAL 54 - QD1 ILE 56 OK 11 85 - 13 - 12126=3, 12126/2.1=2...(4) HB2 GLU 43 - QD1 ILE 56 lone 7 83 - 9 - 3.0/10607=2, 1.8/12202=1 HB3 LYS 13 - QD1 ILE 8 lone 6 61 - 10 - 4.6/6202=2, 3.0/8386=1 HG LEU 42 - QD1 ILE 56 lone 6 96 - 6 - HB3 LYS 13 - QD1 ILE 56 lone 5 55 - 8 - 4.6/6202=2, 3.0/8386=1 HB2 LYS 20 - QD1 ILE 56 lone 4 93 - 4 - Peak 324 from cnoeabs.peaks (0.79, 0.71, 13.69 ppm; 2.49 A): 5 out of 16 assignments used, quality = 0.92: * QG2 ILE 8 + QD1 ILE 8 OK 68 100 - 68 - 3.0=60, 302/2.1=8...(5) QG2 ILE 7 + QD1 ILE 8 OK 35 87 - 41 - 316/2.1=4, 3.0/10272=4...(19) QG2 ILE 8 + QD1 ILE 56 OK 35 96 - 36 - 303=5, ~10383=5...(16) QD2 LEU 57 + QD1 ILE 56 OK 24 88 - 27 - 10696=5, 10696/2.1=3...(13) QG2 ILE 52 + QD1 ILE 8 OK 18 96 - 19 - 316/2.1=2, 308/2.1=2...(6) QD2 LEU 57 - QD1 ILE 8 OK 18 94 - 19 - 10696=3, 308/2.1=2...(10) QD1 ILE 76 - QD1 ILE 8 OK 17 81 - 21 - 3452/2.1=2, 3.2/9646=2...(8) QG2 ILE 7 - QD1 ILE 56 OK 16 80 - 20 - 8255/4.2=2, 3.0/10272=2...(8) QD1 LEU 6 - QD1 ILE 56 OK 13 67 - 19 - ~8236=3, ~8235=3...(9) QG2 ILE 52 - QD1 ILE 56 lone 8 90 - 9 - ~9155=1, ~9307=1 QD1 ILE 76 - QD1 ILE 56 lone 4 74 - 5 - QD1 LEU 6 - QD1 ILE 8 lone 3 73 - 4 - QD1 LEU 27 - QD1 ILE 56 lone 3 59 - 5 - QD1 LEU 27 - QD1 ILE 8 lone 2 65 - 3 - QD1 ILE 93 - QD1 ILE 8 lone 1 70 - 2 - QD1 ILE 93 - QD1 ILE 56 lone 1 63 - 1 - Peak 325 from cnoeabs.peaks (1.36, 0.71, 13.69 ppm; 2.94 A): 2 out of 18 assignments used, quality = 1.00: * HG12 ILE 8 + QD1 ILE 8 OK 100 100 - 100 - 2.1=100 HG12 ILE 8 + QD1 ILE 56 OK 49 96 - 51 - 311=6, 8312/3.0=6...(23) HG LEU 14 - QD1 ILE 8 OK 40 84 - 48 - 317/2.1=6, 616=5...(23) HG LEU 14 - QD1 ILE 56 OK 40 77 - 51 - 11079/3.0=8, 10677/2.1=6...(24) HB2 LEU 70 - QD1 ILE 8 OK 15 98 - 15 - 317/2.1=2, 9543=2...(5) HB3 ARG 30 - QD1 ILE 8 OK 13 96 - 14 - 317/2.1=2, ~1323=1...(4) HG3 LYS 40 - QD1 ILE 8 OK 11 99 - 11 - 317/2.1=1, 293/3.2=1...(4) HB3 ARG 30 - QD1 ILE 56 lone 7 90 - 8 - HG3 LYS 94 - QD1 ILE 8 lone 5 65 - 8 - 3.7/8306=1 HB3 LEU 27 - QD1 ILE 56 lone 5 55 - 9 - ~9317=2, 1.8/12201=2...(4) HG2 LYS 39 - QD1 ILE 8 lone 5 65 - 7 - HG3 LYS 40 - QD1 ILE 56 lone 4 95 - 5 - HB2 LEU 70 - QD1 ILE 56 lone 4 93 - 4 - HB3 LEU 27 - QD1 ILE 8 lone 4 61 - 6 - HG2 LYS 39 - QD1 ILE 56 lone 3 59 - 5 - HG3 LYS 68 - QD1 ILE 8 lone 3 81 - 4 - HG3 LYS 68 - QD1 ILE 56 lone 3 74 - 4 - HG3 LYS 94 - QD1 ILE 56 lone 2 59 - 3 - Peak 326 from cnoeabs.peaks (0.89, 0.71, 13.69 ppm; 2.81 A): 2 out of 8 assignments used, quality = 1.00: * HG13 ILE 8 + QD1 ILE 8 OK 100 100 - 100 - 2.1=100 HG13 ILE 7 + QD1 ILE 8 OK 47 98 - 48 - 310/2.1=7, 2.1/10272=6...(19) HG13 ILE 8 - QD1 ILE 56 OK 44 96 - 46 - ~10383=5, 1.8/325=5...(22) QG2 ILE 76 - QD1 ILE 8 OK 37 99 - 37 - 310/2.1=5, 10877=4...(15) HG13 ILE 7 - QD1 ILE 56 OK 20 93 - 22 - 2.1/10272=3, 10271/2.1=2...(10) QD1 LEU 2 - QD1 ILE 8 OK 17 99 - 17 - 310/2.1=2, 302/3.0=2...(7) QG2 ILE 76 - QD1 ILE 56 poor 10 95 - 10 - 10877=1, 2.1/9646=1 QD1 LEU 2 - QD1 ILE 56 lone 8 94 - 9 - Peak 327 from cnoeabs.peaks (0.71, 0.71, 13.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 8 + QD1 ILE 8 OK 100 100 - 100 QD1 ILE 56 + QD1 ILE 56 OK 96 96 - 100 Peak 328 from cnoeabs.peaks (7.81, 0.71, 13.69 ppm; 5.57 A): 4 out of 12 assignments used, quality = 0.99: * H SER 9 + QD1 ILE 8 OK 90 100 - 90 - 6102/4.1=38, 6101/5.0=22...(18) H SER 9 + QD1 ILE 56 OK 52 96 - 54 - 3.6/322=10, 4.6/321=7...(14) H LYS 66 + QD1 ILE 8 OK 52 94 - 55 - 312/2.1=8, 296/3.2=7...(16) H TYR 41 + QD1 ILE 8 OK 47 87 - 54 - 8869/3.0=8, 312/2.1=7...(11) H LYS 66 - QD1 ILE 56 OK 35 88 - 40 - 4.7/9520=8, 3.0/9512=6...(11) H LYS 20 - QD1 ILE 8 OK 28 61 - 46 - 4.1/12200=6, 4.0/12200=6...(16) H GLU 28 - QD1 ILE 8 OK 20 84 - 24 - 6099/5.0=3, 312/2.1=3...(7) H TYR 41 - QD1 ILE 56 OK 15 80 - 19 - 8884/8851=2, 8870=2...(4) H GLU 28 - QD1 ILE 56 OK 12 77 - 15 - 4.4/12201=3, 4.4/10681=2...(4) H LYS 20 - QD1 ILE 56 poor 9 55 - 15 - 4.1/12200=3, 4.9/2595=2...(4) H GLU 99 - QD1 ILE 8 lone 6 70 - 8 - H GLU 99 - QD1 ILE 56 lone 3 63 - 4 - Peak 329 from cnoeabs.peaks (7.81, 4.43, 58.24 ppm; 3.96 A): 1 out of 12 assignments used, quality = 1.00: * H SER 9 + HA SER 9 OK 100 100 - 100 - 2.9=100 H SER 9 - HA ILE 76 OK 44 87 - 51 - 6108=12, 6106/3.2=8...(15) H TYR 41 - HA SER 9 OK 22 87 - 25 - 339/3.0=5, 3.0/332=4...(7) H LYS 66 - HA SER 9 OK 11 94 - 11 - 7061/3.0=4, 334/3.0=2...(4) H TYR 41 - HA ILE 76 poor 8 70 - 11 - 8868/3.2=3, 8869/4.2=2 H LYS 66 - HA ILE 76 lone 5 77 - 7 - 4.6/10770=1, ~9513=1 H LYS 20 - HA SER 9 lone 5 61 - 8 - ~12230=2, 334/3.0=1, 339/3.0=1 H GLU 28 - HA SER 9 lone 4 84 - 5 - 339/3.0=1, 334/3.0=1 H LYS 20 - HA ILE 76 lone 4 47 - 9 - 4.6/3416=3, 6298/3.6=2...(4) H GLU 99 - HA SER 9 lone 2 70 - 2 - H GLU 28 - HA ILE 76 lone 1 67 - 2 - H GLU 99 - HA ILE 76 lone 1 54 - 2 - Peak 330 from cnoeabs.peaks (4.43, 4.43, 58.24 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 9 + HA SER 9 OK 100 100 - 100 HA ILE 76 + HA ILE 76 OK 87 87 - 100 Peak 331 from cnoeabs.peaks (2.99, 4.43, 58.24 ppm; 3.98 A): 3 out of 12 assignments used, quality = 1.00: * HB2 SER 9 + HA SER 9 OK 100 100 - 100 - 3.0=100 HB3 ASP 11 + HA SER 9 OK 58 100 - 58 - 8375/4.1=14...(10) HB2 SER 9 + HA ILE 76 OK 50 87 - 58 - 335=14, 1.8/340=11...(15) HB2 PHE 45 - HA ILE 76 OK 15 80 - 18 - 12098/3.2=8, ~12099=7 HB3 ASP 11 - HA ILE 76 OK 11 86 - 13 - 4.0/10387=3, 9653/3.2=2...(5) HE2 LYS 12 - HA SER 9 poor 8 73 - 10 - ~8320=1, 341/3.0=1...(5) HB2 PHE 45 - HA SER 9 lone 7 96 - 8 - 6109/2.9=2, 341/3.0=1 HE2 LYS 47 - HA SER 9 lone 7 70 - 9 - 6.6/12339=2, ~12106=1...(4) HE3 LYS 47 - HA SER 9 lone 7 70 - 9 - 6.6/12339=2, ~12106=1...(4) HE2 LYS 12 - HA ILE 76 lone 3 58 - 6 - 9653/3.2=1 HE3 LYS 47 - HA ILE 76 lone 2 54 - 3 - 6.6/12339=1 HE2 LYS 47 - HA ILE 76 lone 2 54 - 3 - 6.6/12339=1 Peak 332 from cnoeabs.peaks (3.92, 4.43, 58.24 ppm; 3.55 A): 1 out of 8 assignments used, quality = 1.00: * HB3 SER 9 + HA SER 9 OK 100 100 - 100 - 3.0=100 HB3 SER 9 - HA ILE 76 OK 41 87 - 47 - 340=11, 1.8/335=9...(14) HA TYR 41 - HA SER 9 OK 26 100 - 26 - 6110/2.9=6, 337/3.0=5...(11) HA GLU 63 - HA SER 9 lone 8 87 - 10 - 2769/2.9=2, 337/3.0=2 HA GLU 44 - HA SER 9 lone 7 90 - 8 - 337/3.0=2, 6116/3.6=1 HA TYR 41 - HA ILE 76 lone 6 87 - 6 - ~8868=1 HA GLU 63 - HA ILE 76 lone 5 70 - 7 - 10745/4.2=3, ~9660=1, ~9655=1 HA GLU 44 - HA ILE 76 lone 1 73 - 2 - Peak 333 from cnoeabs.peaks (8.64, 4.43, 58.24 ppm; 3.40 A): 1 out of 6 assignments used, quality = 0.94: * H ASN 10 + HA SER 9 OK 94 100 - 94 - 3.6=87, 8350/4.1=16...(8) H ASN 10 - HA ILE 76 OK 20 87 - 23 - 6114=8, 4.6/335=4...(8) H LEU 55 - HA SER 9 lone 9 99 - 9 - 338/3.0=3, 6111/2.9=3, 343/3.0=2 H ALA 18 - HA SER 9 lone 7 81 - 8 - 338/3.0=2, 343/3.0=2, 6111/2.9=2 H ALA 18 - HA ILE 76 lone 3 64 - 5 - 4.7/3416=2, 6274/3.6=2 H LEU 55 - HA ILE 76 lone 2 84 - 2 - Peak 334 from cnoeabs.peaks (7.81, 2.99, 64.26 ppm; 4.26 A): 1 out of 6 assignments used, quality = 1.00: * H SER 9 + HB2 SER 9 OK 100 100 - 100 - 4.0=100 H TYR 41 - HB2 SER 9 OK 23 87 - 27 - 339/1.8=7, 3.0/337=6...(5) H LYS 66 - HB2 SER 9 OK 14 94 - 15 - 7061/1.8=5, 329/3.0=2 H LYS 20 - HB2 SER 9 poor 8 61 - 13 - 2.9/12230=4, 339/1.8=1...(4) H GLU 28 - HB2 SER 9 lone 7 84 - 8 - 339/1.8=2 H GLU 99 - HB2 SER 9 lone 2 70 - 3 - Peak 335 from cnoeabs.peaks (4.43, 2.99, 64.26 ppm; 3.94 A): 2 out of 7 assignments used, quality = 1.00: * HA SER 9 + HB2 SER 9 OK 100 100 - 100 - 3.0=100 HA ILE 76 + HB2 SER 9 OK 55 100 - 55 - 340/1.8=11, 3.2/9653=9...(15) HA GLU 48 - HB2 SER 9 OK 18 100 - 18 - 340/1.8=4, 6114/4.6=3...(7) HB THR 84 - HB2 SER 9 lone 6 90 - 7 - 340/1.8=1, 9835/8416=1 HA VAL 32 - HB2 SER 9 lone 5 65 - 8 - 6108/4.0=2, 340/1.8=1 HA MET 21 - HB2 SER 9 lone 3 65 - 4 - 4.4/8321=1 HA ALA 25 - HB2 SER 9 lone 2 73 - 2 - Peak 336 from cnoeabs.peaks (2.99, 2.99, 64.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 9 + HB2 SER 9 OK 100 100 - 100 Peak 337 from cnoeabs.peaks (3.92, 2.99, 64.26 ppm; 3.02 A): 1 out of 4 assignments used, quality = 1.00: * HB3 SER 9 + HB2 SER 9 OK 100 100 - 100 - 1.8=100 HA TYR 41 - HB2 SER 9 OK 19 100 - 19 - 6110/4.0=3, 332/3.0=3...(8) HA GLU 63 - HB2 SER 9 lone 7 87 - 8 - 2769/4.0=1 HA GLU 44 - HB2 SER 9 lone 6 90 - 7 - Peak 338 from cnoeabs.peaks (8.64, 2.99, 64.26 ppm; 4.55 A): 1 out of 3 assignments used, quality = 0.99: * H ASN 10 + HB2 SER 9 OK 99 100 - 99 - 4.6=97, 8350/2.8=36...(8) H LEU 55 - HB2 SER 9 OK 24 99 - 24 - 4.1/9237=5, 343/1.8=5...(6) H ALA 18 - HB2 SER 9 OK 20 81 - 24 - 3.6/12230=5, 343/1.8=5...(7) Peak 339 from cnoeabs.peaks (7.81, 3.92, 64.26 ppm; 4.36 A): 1 out of 6 assignments used, quality = 1.00: * H SER 9 + HB3 SER 9 OK 100 100 - 100 - 4.0=100 H TYR 41 - HB3 SER 9 OK 32 87 - 36 - 334/1.8=6, 6654=5...(9) H LYS 66 - HB3 SER 9 OK 23 94 - 24 - 7061=4, 334/1.8=4...(8) H GLU 28 - HB3 SER 9 lone 8 84 - 9 - 334/1.8=2 H LYS 20 - HB3 SER 9 poor 7 61 - 11 - ~12230=3, 334/1.8=2 H GLU 99 - HB3 SER 9 lone 2 70 - 3 - Peak 340 from cnoeabs.peaks (4.43, 3.92, 64.26 ppm; 3.79 A): 2 out of 7 assignments used, quality = 1.00: * HA SER 9 + HB3 SER 9 OK 100 100 - 100 - 3.0=100 HA ILE 76 + HB3 SER 9 OK 51 100 - 51 - 332=10, 335/1.8=10...(14) HA GLU 48 - HB3 SER 9 OK 17 100 - 17 - 335/1.8=3, 6114/4.6=3...(7) HB THR 84 - HB3 SER 9 lone 6 90 - 7 - 9835/10409=2, 335/1.8=1 HA VAL 32 - HB3 SER 9 lone 5 65 - 8 - 6108/4.0=1 HA MET 21 - HB3 SER 9 lone 2 65 - 3 - HA ALA 25 - HB3 SER 9 lone 2 73 - 2 - Peak 341 from cnoeabs.peaks (2.99, 3.92, 64.26 ppm; 2.96 A): 1 out of 6 assignments used, quality = 1.00: * HB2 SER 9 + HB3 SER 9 OK 100 100 - 100 - 1.8=100 HB3 ASP 11 - HB3 SER 9 OK 42 100 - 42 - 4.0/10388=8, ~8374=8...(10) HB2 PHE 45 - HB3 SER 9 lone 6 96 - 7 - HE2 LYS 47 - HB3 SER 9 lone 6 70 - 9 - 3.8/10615=2, 1.8/12105=1 HE3 LYS 47 - HB3 SER 9 lone 6 70 - 9 - 3.8/10615=2, 1.8/12105=1 HE2 LYS 12 - HB3 SER 9 lone 6 73 - 8 - 3.0/8326=1, 3.0/8326=1 Peak 342 from cnoeabs.peaks (3.92, 3.92, 64.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 9 + HB3 SER 9 OK 100 100 - 100 Peak 343 from cnoeabs.peaks (8.64, 3.92, 64.26 ppm; 4.49 A): 1 out of 3 assignments used, quality = 0.99: * H ASN 10 + HB3 SER 9 OK 99 100 - 99 - 4.6=93, 8350/2.8=35...(9) H LEU 55 - HB3 SER 9 OK 17 99 - 17 - 338/1.8=6, 6111/4.0=4...(4) H ALA 18 - HB3 SER 9 OK 15 81 - 19 - 338/1.8=5, 10378/8331=4...(6) Peak 344 from cnoeabs.peaks (8.64, 4.94, 52.22 ppm; 4.74 A): 2 out of 3 assignments used, quality = 1.00: * H ASN 10 + HA ASN 10 OK 100 100 - 100 - 3.0=100 H LEU 55 + HA ASN 10 OK 46 99 - 47 - 9291/4.4=23, 358/3.0=11...(5) H ALA 18 - HA ASN 10 OK 13 81 - 16 - 351/3.0=2, 358/3.0=2...(8) Peak 345 from cnoeabs.peaks (4.94, 4.94, 52.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 10 + HA ASN 10 OK 100 100 - 100 Peak 346 from cnoeabs.peaks (2.93, 4.94, 52.22 ppm; 3.07 A): 1 out of 10 assignments used, quality = 1.00: * HB2 ASN 10 + HA ASN 10 OK 100 100 - 100 - 3.0=100 HB2 ASN 51 - HA ASN 10 lone 5 65 - 7 - 360/3.0=1, 6126/4.4=1 HE3 LYS 90 - HA ASN 10 lone 4 96 - 4 - HG2 MET 21 - HA ASN 10 lone 4 87 - 4 - HE2 LYS 94 - HA ASN 10 lone 3 96 - 3 - HE3 LYS 94 - HA ASN 10 lone 2 70 - 3 - HE3 LYS 20 - HA ASN 10 lone 2 77 - 2 - HE2 LYS 20 - HA ASN 10 lone 2 73 - 2 - HE3 LYS 73 - HA ASN 10 lone 0 65 - 1 - HE2 LYS 68 - HA ASN 10 lone 0 65 - 1 - Peak 347 from cnoeabs.peaks (2.75, 4.94, 52.22 ppm; 3.30 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ASN 10 + HA ASN 10 OK 100 100 - 100 - 3.0=100 HE2 LYS 40 - HA ASN 10 lone 4 77 - 4 - HE3 LYS 40 - HA ASN 10 lone 3 73 - 4 - HE2 LYS 82 - HA ASN 10 lone 3 77 - 3 - HB2 ASN 26 - HA ASN 10 lone 1 70 - 2 - Peak 350 from cnoeabs.peaks (8.67, 4.94, 52.22 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 11 + HA ASN 10 OK 100 100 - 100 - 3.6=100 H ALA 18 - HA ASN 10 poor 8 65 - 13 - 8439/8449=4, 364/3.0=2...(6) Peak 351 from cnoeabs.peaks (8.64, 2.93, 39.13 ppm; 3.92 A): 1 out of 3 assignments used, quality = 0.98: * H ASN 10 + HB2 ASN 10 OK 98 100 - 98 - 4.0=95, 6119/1.8=37...(6) H LEU 55 - HB2 ASN 10 OK 40 99 - 40 - 9291/3.5=20, 358/1.8=10...(6) H ALA 18 - HB2 ASN 10 poor 9 81 - 11 - 2.9/8490=2, 358/1.8=2...(5) Peak 352 from cnoeabs.peaks (4.94, 2.93, 39.13 ppm; 3.04 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 10 + HB2 ASN 10 OK 100 100 - 100 - 3.0=100 Peak 353 from cnoeabs.peaks (2.93, 2.93, 39.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 10 + HB2 ASN 10 OK 100 100 - 100 Peak 354 from cnoeabs.peaks (2.75, 2.93, 39.13 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ASN 10 + HB2 ASN 10 OK 100 100 - 100 - 1.8=100 HE2 LYS 40 - HB2 ASN 10 lone 2 77 - 2 - HE3 LYS 40 - HB2 ASN 10 lone 2 73 - 2 - HE2 LYS 82 - HB2 ASN 10 lone 1 77 - 2 - HB2 ASN 26 - HB2 ASN 10 lone 1 70 - 1 - Peak 355 from cnoeabs.peaks (6.98, 2.93, 39.13 ppm; 4.25 A): 1 out of 3 assignments used, quality = 1.00: * HD21 ASN 10 + HB2 ASN 10 OK 100 100 - 100 - 3.5=100 HD21 ASN 51 - HB2 ASN 10 OK 20 98 - 20 - 362/1.8=6, 6134/3.5=2...(8) HE ARG 91 - HB2 ASN 10 lone 3 84 - 3 - Peak 356 from cnoeabs.peaks (7.61, 2.93, 39.13 ppm; 3.93 A): 1 out of 4 assignments used, quality = 1.00: * HD22 ASN 10 + HB2 ASN 10 OK 100 100 - 100 - 3.5=100 H GLU 48 - HB2 ASN 10 OK 37 92 - 40 - 3.0/8354=8, 363/1.8=8...(10) H GLU 44 - HB2 ASN 10 OK 11 99 - 11 - 363/1.8=3, 6121/4.0=2 HE22 GLN 50 - HB2 ASN 10 lone 4 65 - 6 - 3.5/8360=1 Peak 357 from cnoeabs.peaks (8.67, 2.93, 39.13 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.92: * H ASP 11 + HB2 ASN 10 OK 92 100 - 93 - 4.6=76, 364/1.8=37...(8) H ALA 18 - HB2 ASN 10 poor 7 65 - 10 - 2.9/8490=3, 364/1.8=3, 350/3.0=3 Peak 358 from cnoeabs.peaks (8.64, 2.75, 39.13 ppm; 3.76 A): 2 out of 3 assignments used, quality = 0.95: * H ASN 10 + HB3 ASN 10 OK 93 100 - 93 - 4.0=84, 6118/1.8=29...(6) H LEU 55 + HB3 ASN 10 OK 36 99 - 37 - 9291/3.5=18, 351/1.8=9...(6) H ALA 18 - HB3 ASN 10 lone 7 81 - 9 - 351/1.8=2, 344/3.0=2...(4) Peak 359 from cnoeabs.peaks (4.94, 2.75, 39.13 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 10 + HB3 ASN 10 OK 100 100 - 100 - 3.0=100 Peak 360 from cnoeabs.peaks (2.93, 2.75, 39.13 ppm; 2.40 A): 1 out of 10 assignments used, quality = 1.00: * HB2 ASN 10 + HB3 ASN 10 OK 100 100 - 100 - 1.8=100 HB2 ASN 51 - HB3 ASN 10 lone 4 65 - 7 - 3.5/362=1 HE3 LYS 90 - HB3 ASN 10 lone 3 96 - 3 - HG2 MET 21 - HB3 ASN 10 lone 2 87 - 3 - HE2 LYS 94 - HB3 ASN 10 lone 2 96 - 2 - HE3 LYS 94 - HB3 ASN 10 lone 1 70 - 2 - HE3 LYS 20 - HB3 ASN 10 lone 1 77 - 1 - HE2 LYS 20 - HB3 ASN 10 lone 1 73 - 1 - HE3 LYS 73 - HB3 ASN 10 lone 0 65 - 0 - HE2 LYS 68 - HB3 ASN 10 lone 0 65 - 0 - Peak 361 from cnoeabs.peaks (2.75, 2.75, 39.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 10 + HB3 ASN 10 OK 100 100 - 100 Peak 362 from cnoeabs.peaks (6.98, 2.75, 39.13 ppm; 4.31 A): 1 out of 3 assignments used, quality = 1.00: * HD21 ASN 10 + HB3 ASN 10 OK 100 100 - 100 - 3.5=100 HD21 ASN 51 - HB3 ASN 10 OK 20 98 - 20 - 355/1.8=6, 6134/3.5=2...(8) HE ARG 91 - HB3 ASN 10 lone 3 84 - 3 - Peak 363 from cnoeabs.peaks (7.61, 2.75, 39.13 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * HD22 ASN 10 + HB3 ASN 10 OK 100 100 - 100 - 3.5=100 H GLU 48 - HB3 ASN 10 OK 27 92 - 29 - 356/1.8=8, 3.0/8352=6...(8) H GLU 44 - HB3 ASN 10 lone 9 99 - 9 - 356/1.8=3, 6121/4.0=2 HE22 GLN 50 - HB3 ASN 10 lone 3 65 - 4 - 3.5/8358=1 Peak 364 from cnoeabs.peaks (8.67, 2.75, 39.13 ppm; 4.07 A): 1 out of 2 assignments used, quality = 0.90: * H ASP 11 + HB3 ASN 10 OK 90 100 - 90 - 4.6=69, 6138/1.8=36...(9) H ALA 18 - HB3 ASN 10 lone 7 65 - 10 - 357/1.8=3, 350/3.0=2, ~8490=2 Peak 365 from cnoeabs.peaks (8.67, 4.60, 53.23 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 11 + HA ASP 11 OK 100 100 - 100 - 3.0=100 H ALA 18 - HA ASP 11 poor 8 65 - 12 - 370/3.0=3, 375/3.0=2...(4) Peak 366 from cnoeabs.peaks (4.60, 4.60, 53.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 11 + HA ASP 11 OK 100 100 - 100 Peak 367 from cnoeabs.peaks (2.43, 4.60, 53.23 ppm; 3.49 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ASP 11 + HA ASP 11 OK 100 100 - 100 - 3.0=100 HG3 GLU 17 - HA ASP 11 OK 14 100 - 14 - 6143/3.0=4, 377/3.0=2...(4) HG3 GLU 48 - HA ASP 11 OK 12 100 - 12 - 6143/3.0=4, 6149/3.6=2 HG3 GLN 50 - HA ASP 11 lone 9 100 - 8 - 6143/3.0=2, 377/3.0=2...(4) HG2 GLN 72 - HA ASP 11 lone 5 96 - 5 - 6143/3.0=1 HG3 GLU 99 - HA ASP 11 lone 4 98 - 4 - HG3 MET 1 - HA ASP 11 lone 2 81 - 3 - Peak 368 from cnoeabs.peaks (2.99, 4.60, 53.23 ppm; 4.35 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ASP 11 + HA ASP 11 OK 100 100 - 100 - 3.0=100 HB2 SER 9 + HA ASP 11 OK 79 100 - 79 - ~8372=18, 6144/3.0=17...(17) HE2 LYS 12 - HA ASP 11 OK 19 84 - 22 - 7.3/369=9, 4.8/8368=3...(6) HB2 PHE 45 - HA ASP 11 lone 7 90 - 7 - 6144/3.0=2 Peak 369 from cnoeabs.peaks (8.56, 4.60, 53.23 ppm; 2.97 A): 1 out of 4 assignments used, quality = 0.66: * H LYS 12 + HA ASP 11 OK 66 100 - 66 - 3.6=57, 6145/3.0=14...(6) H GLN 50 - HA ASP 11 lone 5 81 - 7 - 374/3.0=2, 6145/3.0=2, 379/3.0=1 H VAL 58 - HA ASP 11 lone 1 57 - 2 - H ASP 61 - HA ASP 11 lone 1 77 - 1 - Peak 370 from cnoeabs.peaks (8.67, 2.43, 40.97 ppm; 3.68 A): 1 out of 2 assignments used, quality = 0.91: * H ASP 11 + HB2 ASP 11 OK 91 100 - 91 - 4.0=78, 375/1.8=30...(12) H ALA 18 - HB2 ASP 11 poor 8 65 - 13 - 375/1.8=3, 365/3.0=2...(5) Peak 371 from cnoeabs.peaks (4.60, 2.43, 40.97 ppm; 3.69 A): 1 out of 5 assignments used, quality = 1.00: * HA ASP 11 + HB2 ASP 11 OK 100 100 - 100 - 3.0=100 HA ILE 8 - HB2 ASP 11 OK 26 77 - 34 - 376/1.8=7, 3.0/8362=5...(10) HB THR 34 - HB2 ASP 11 lone 5 100 - 5 - 376/1.8=1 HA HIS 105 - HB2 ASP 11 lone 4 100 - 4 - 376/1.8=1 HA THR 84 - HB2 ASP 11 lone 3 70 - 5 - Peak 372 from cnoeabs.peaks (2.43, 2.43, 40.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 11 + HB2 ASP 11 OK 100 100 - 100 Peak 373 from cnoeabs.peaks (2.99, 2.43, 40.97 ppm; 3.02 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 11 + HB2 ASP 11 OK 100 100 - 100 - 1.8=100 HB2 SER 9 - HB2 ASP 11 OK 39 100 - 39 - 2.8/8374=11, 6144/4.0=7...(9) HE2 LYS 12 - HB2 ASP 11 lone 7 84 - 8 - 6158/4.5=3, 368/3.0=1 HB2 PHE 45 - HB2 ASP 11 lone 3 90 - 4 - Peak 374 from cnoeabs.peaks (8.56, 2.43, 40.97 ppm; 4.76 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 12 + HB2 ASP 11 OK 100 100 - 100 - 4.5=100 H GLN 50 - HB2 ASP 11 OK 21 81 - 25 - 379/1.8=5, 6145/4.0=4...(9) H VAL 58 - HB2 ASP 11 lone 4 57 - 7 - 379/1.8=1, 6145/4.0=1 H ASP 61 - HB2 ASP 11 lone 3 77 - 4 - Peak 375 from cnoeabs.peaks (8.67, 2.99, 40.97 ppm; 3.94 A): 1 out of 2 assignments used, quality = 0.99: * H ASP 11 + HB3 ASP 11 OK 99 100 - 99 - 4.0=96, 370/1.8=37...(14) H ALA 18 - HB3 ASP 11 poor 9 65 - 14 - 370/1.8=3, 365/3.0=2...(5) Peak 376 from cnoeabs.peaks (4.60, 2.99, 40.97 ppm; 4.13 A): 1 out of 5 assignments used, quality = 1.00: * HA ASP 11 + HB3 ASP 11 OK 100 100 - 100 - 3.0=100 HA ILE 8 - HB3 ASP 11 OK 36 77 - 47 - 3.6/6109=9, 371/1.8=8...(13) HB THR 34 - HB3 ASP 11 lone 7 100 - 6 - 371/1.8=2, 6142/4.0=1 HA HIS 105 - HB3 ASP 11 lone 5 100 - 5 - 371/1.8=1 HA THR 84 - HB3 ASP 11 lone 4 70 - 6 - 371/1.8=1 Peak 377 from cnoeabs.peaks (2.43, 2.99, 40.97 ppm; 3.17 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ASP 11 + HB3 ASP 11 OK 100 100 - 100 - 1.8=100 HG3 GLU 17 - HB3 ASP 11 OK 10 100 - 10 - 6143/4.0=2, 367/3.0=2 HG3 GLU 48 - HB3 ASP 11 lone 9 100 - 9 - 6143/4.0=3, 367/3.0=2 HG3 GLN 50 - HB3 ASP 11 lone 7 100 - 7 - 367/3.0=1, 6143/4.0=1, 5.1/379=1 HG2 GLN 72 - HB3 ASP 11 lone 4 96 - 4 - HG3 GLU 99 - HB3 ASP 11 lone 3 98 - 3 - HG3 MET 1 - HB3 ASP 11 lone 2 81 - 2 - Peak 378 from cnoeabs.peaks (2.99, 2.99, 40.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 11 + HB3 ASP 11 OK 100 100 - 100 Peak 379 from cnoeabs.peaks (8.56, 2.99, 40.97 ppm; 5.49 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 12 + HB3 ASP 11 OK 100 100 - 100 - 4.5=100 H GLN 50 - HB3 ASP 11 OK 19 81 - 23 - 374/1.8=8, 6145/4.0=4...(5) H VAL 58 - HB3 ASP 11 lone 5 57 - 9 - 6145/4.0=1, 374/1.8=1 H ASP 61 - HB3 ASP 11 lone 4 77 - 5 - 374/1.8=1 Peak 380 from cnoeabs.peaks (8.56, 3.85, 59.58 ppm; 3.58 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 12 + HA LYS 12 OK 100 100 - 100 - 2.9=100 H GLN 50 - HA LYS 12 OK 14 81 - 17 - 3.6/2261=2, 6811=2...(9) H ASP 61 - HA LYS 12 lone 3 77 - 4 - H VAL 58 - HA LYS 12 lone 2 57 - 3 - Peak 381 from cnoeabs.peaks (3.85, 3.85, 59.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 12 + HA LYS 12 OK 100 100 - 100 Peak 382 from cnoeabs.peaks (1.86, 3.85, 59.58 ppm; 2.80 A): 2 out of 7 assignments used, quality = 0.99: * HB2 LYS 12 + HA LYS 12 OK 92 100 - 92 - 3.0=83, 6152/2.9=8...(19) HB3 LYS 12 + HA LYS 12 OK 92 100 - 92 - 3.0=83, 6152/2.9=8...(19) HB3 LYS 39 - HA LYS 12 OK 24 100 - 24 - 3.0/384=3, 6165/3.6=3...(10) HB3 LYS 66 - HA LYS 12 OK 14 100 - 15 - 3.6/385=2, 2903/3.7=2...(6) HB3 LYS 68 - HA LYS 12 OK 12 97 - 12 - HB VAL 5 - HA LYS 12 lone 5 100 - 5 - HB3 GLU 104 - HA LYS 12 lone 3 98 - 3 - Peak 383 from cnoeabs.peaks (1.87, 3.85, 59.58 ppm; 2.80 A): 2 out of 8 assignments used, quality = 0.99: * HB3 LYS 12 + HA LYS 12 OK 92 100 - 92 - 3.0=83, 6152/2.9=8...(19) HB2 LYS 12 + HA LYS 12 OK 92 100 - 92 - 3.0=83, 6152/2.9=8...(19) HB3 LYS 39 - HA LYS 12 OK 24 99 - 24 - 3.0/384=3, 6165/3.6=2...(10) HB3 LYS 66 - HA LYS 12 OK 14 99 - 14 - 3.6/385=2, 2903/3.7=2...(6) HB3 LYS 68 - HA LYS 12 OK 12 99 - 12 - HB VAL 5 - HA LYS 12 lone 5 99 - 5 - HB VAL 54 - HA LYS 12 lone 3 61 - 5 - 2.1/10658=3 HB3 GLU 104 - HA LYS 12 lone 3 99 - 3 - Peak 384 from cnoeabs.peaks (1.45, 3.85, 59.58 ppm; 3.26 A): 2 out of 16 assignments used, quality = 0.94: * HG2 LYS 12 + HA LYS 12 OK 91 100 - 91 - 3.7=68, 415/2.9=16...(20) HG3 LYS 39 + HA LYS 12 OK 34 99 - 34 - 1716/3.0=4, 1716/3.0=4...(11) HG2 LYS 13 - HA LYS 12 OK 21 77 - 28 - 4.8/391=6, 3.9/8392=3...(9) HG LEU 29 - HA LYS 12 OK 14 92 - 15 - 3.0/385=2, 430/3.7=1...(7) HB2 LEU 27 - HA LYS 12 OK 12 87 - 14 - 3.1/8381=3, 3.0/385=2...(4) HB2 LEU 38 - HA LYS 12 OK 11 92 - 12 - 1633/3.6=3, 4.6/390=2 HG13 ILE 76 - HA LYS 12 OK 10 94 - 11 - 2.1/9668=2, 3.2/9651=2...(4) QB ALA 22 - HA LYS 12 lone 7 92 - 7 - 8582/3.0=1, 8582/3.0=1 HG LEU 38 - HA LYS 12 lone 5 81 - 7 - 6167/3.6=1 HD2 LYS 40 - HA LYS 12 lone 4 61 - 7 - HG13 ILE 52 - HA LYS 12 lone 4 87 - 4 - HG3 ARG 91 - HA LYS 12 lone 2 97 - 2 - HD2 LYS 82 - HA LYS 12 lone 2 81 - 2 - HG2 LYS 20 - HA LYS 12 lone 1 87 - 2 - HD2 LYS 53 - HA LYS 12 lone 1 81 - 1 - HG2 LYS 53 - HA LYS 12 lone 1 65 - 1 - Peak 385 from cnoeabs.peaks (1.59, 3.85, 59.58 ppm; 3.48 A): 1 out of 13 assignments used, quality = 0.96: * HG3 LYS 12 + HA LYS 12 OK 96 100 - 96 - 3.7=83, 1.8/384=16...(24) HD2 LYS 66 - HA LYS 12 OK 33 97 - 35 - 2933/3.0=5, 2933/3.0=5...(11) HG2 LYS 24 - HA LYS 12 OK 24 96 - 25 - 426/2.9=3, 420/3.7=3...(11) HB3 LEU 29 - HA LYS 12 OK 20 100 - 20 - 8670/3.0=2, 8670/3.0=2...(9) HG LEU 27 - HA LYS 12 OK 18 99 - 18 - 2.1/8381=4, ~10484=2...(5) HG3 LYS 73 - HA LYS 12 OK 14 99 - 14 - 426/2.9=2, 6168/3.6=2...(7) HG3 LYS 90 - HA LYS 12 OK 13 92 - 14 - 2.9/392=4, 420/3.7=1...(5) HD3 LYS 94 - HA LYS 12 OK 13 99 - 13 - 4242=1, 1.8/4231=1...(5) HB2 ARG 30 - HA LYS 12 lone 3 94 - 3 - HB2 LEU 103 - HA LYS 12 lone 2 94 - 2 - HG2 ARG 19 - HA LYS 12 lone 2 94 - 2 - HB2 ARG 79 - HA LYS 12 lone 2 98 - 2 - HG LEU 103 - HA LYS 12 lone 2 87 - 2 - Peak 386 from cnoeabs.peaks (1.70, 3.85, 59.58 ppm; 2.86 A): 3 out of 17 assignments used, quality = 0.94: HD3 LYS 12 + HA LYS 12 OK 66 100 - 66 - 5.2=17, 3.0/384=8...(31) * HD2 LYS 12 + HA LYS 12 OK 66 100 - 66 - 5.2=17, 3.0/384=8...(31) HG12 ILE 15 + HA LYS 12 OK 45 97 - 46 - 2.9/392=14, 2.1/8381=9...(11) HD2 LYS 13 - HA LYS 12 OK 23 100 - 23 - 6.0/391=3, 3.0/384=2...(8) HD3 LYS 13 - HA LYS 12 OK 23 100 - 23 - 6.0/391=3, 3.0/384=2...(9) HD3 LYS 66 - HA LYS 12 OK 22 100 - 23 - 1.8/385=3, 2944/3.0=3...(8) HD3 LYS 24 - HA LYS 12 OK 18 99 - 18 - 3.0/385=2, 422/3.7=1...(4) HD2 LYS 24 - HA LYS 12 OK 18 99 - 18 - 3.0/385=2, 422/3.7=1...(4) HG LEU 70 - HA LYS 12 OK 11 100 - 11 - 3.0/392=2, 3.0/3132=1 HD3 LYS 90 - HA LYS 12 lone 10 99 - 10 - 1.8/392=4 HB3 LEU 70 - HA LYS 12 lone 7 77 - 8 - 1.8/3132=1, 3141=1 HB3 LYS 40 - HA LYS 12 lone 6 70 - 8 - 4.1/6628=1 HB2 LEU 2 - HA LYS 12 lone 4 100 - 4 - HG2 PRO 86 - HA LYS 12 lone 2 96 - 2 - HD3 LYS 47 - HA LYS 12 lone 2 61 - 2 - HB3 ARG 91 - HA LYS 12 lone 1 65 - 1 - HB3 LYS 53 - HA LYS 12 lone 1 77 - 1 - Peak 387 from cnoeabs.peaks (1.70, 3.85, 59.58 ppm; 2.86 A): 3 out of 17 assignments used, quality = 0.94: * HD3 LYS 12 + HA LYS 12 OK 66 100 - 66 - 5.2=17, 3.0/384=8...(31) HD2 LYS 12 + HA LYS 12 OK 66 100 - 66 - 5.2=17, 3.0/384=8...(31) HG12 ILE 15 + HA LYS 12 OK 45 97 - 46 - 2.9/392=14, 2.1/8381=9...(11) HD2 LYS 13 - HA LYS 12 OK 23 100 - 23 - 6.0/391=3, 3.0/384=2...(8) HD3 LYS 13 - HA LYS 12 OK 23 100 - 23 - 6.0/391=3, 3.0/384=2...(9) HD3 LYS 66 - HA LYS 12 OK 22 100 - 23 - 1.8/385=3, 2944/3.0=3...(8) HD3 LYS 24 - HA LYS 12 OK 18 99 - 18 - 3.0/385=2, 422/3.7=1...(4) HD2 LYS 24 - HA LYS 12 OK 18 99 - 18 - 3.0/385=2, 422/3.7=1...(4) HG LEU 70 - HA LYS 12 OK 11 100 - 11 - 3.0/392=2, 3.0/3132=1 HD3 LYS 90 - HA LYS 12 lone 10 99 - 10 - 1.8/392=4 HB3 LEU 70 - HA LYS 12 lone 7 77 - 8 - 1.8/3132=1, 3141=1 HB3 LYS 40 - HA LYS 12 lone 6 70 - 8 - 4.1/6628=1 HB2 LEU 2 - HA LYS 12 lone 4 100 - 4 - HG2 PRO 86 - HA LYS 12 lone 2 96 - 2 - HD3 LYS 47 - HA LYS 12 lone 2 61 - 2 - HB3 ARG 91 - HA LYS 12 lone 1 65 - 1 - HB3 LYS 53 - HA LYS 12 lone 1 77 - 1 - Peak 388 from cnoeabs.peaks (3.01, 3.85, 59.58 ppm; 6.50 A): 2 out of 5 assignments used, quality = 1.00: * HE2 LYS 12 + HA LYS 12 OK 100 100 - 100 - 6.3=100 HB3 ASP 11 + HA LYS 12 OK 65 84 - 77 - ~369=37, ~6148=35...(15) HB2 SER 9 - HA LYS 12 OK 24 73 - 33 - 6150/2.9=8, 6171/3.6=5...(11) HE3 LYS 33 - HA LYS 12 OK 21 84 - 24 - 6171/3.6=3, 423/3.7=3...(11) HE2 LYS 33 - HA LYS 12 OK 21 84 - 24 - 6171/3.6=3, 423/3.7=3...(11) Peak 389 from cnoeabs.peaks (2.96, 3.85, 59.58 ppm; 5.13 A): 3 out of 12 assignments used, quality = 0.99: * HE3 LYS 12 + HA LYS 12 OK 95 100 - 95 - 6.3=55, 1.8/460=24...(28) HE2 LYS 13 + HA LYS 12 OK 53 99 - 54 - 7.3/391=8, 424/3.7=6...(20) HE3 LYS 13 + HA LYS 12 OK 51 97 - 53 - 7.3/391=8, 424/3.7=5...(20) HE3 LYS 24 - HA LYS 12 OK 43 100 - 43 - 424/3.7=5, 3.7/385=4...(19) HE2 LYS 24 - HA LYS 12 OK 43 100 - 43 - 424/3.7=5, 3.7/385=4...(19) HE3 LYS 47 - HA LYS 12 OK 11 94 - 12 - 6172/3.6=2 HE2 LYS 47 - HA LYS 12 OK 11 94 - 12 - 6172/3.6=2 HE2 LYS 73 - HA LYS 12 OK 11 81 - 13 - 4.0/385=2, 7.0/9579=2...(4) HB3 PHE 45 - HA LYS 12 OK 10 100 - 10 - ~6150=1 HE3 LYS 73 - HA LYS 12 poor 8 61 - 12 - 4.0/385=2, 7.0/9579=2...(4) HB2 PHE 45 - HA LYS 12 lone 5 65 - 8 - HB2 ASN 51 - HA LYS 12 lone 3 61 - 5 - 4.0/9108=2 Peak 390 from cnoeabs.peaks (8.07, 3.85, 59.58 ppm; 3.47 A): 2 out of 6 assignments used, quality = 0.98: * H LYS 13 + HA LYS 12 OK 97 100 - 97 - 3.6=92, 6163/2.9=24...(15) H ILE 15 + HA LYS 12 OK 53 100 - 54 - 4.0/392=14, 6206=12...(15) H LYS 39 - HA LYS 12 OK 32 96 - 34 - 425/3.7=5, 6605/3.0=5...(12) H GLU 75 - HA LYS 12 OK 13 100 - 13 - 6160/2.9=2, 425/3.7=1 H GLU 17 - HA LYS 12 OK 10 87 - 12 - 4.6/6225=3, 645/392=2 H SER 102 - HA LYS 12 lone 3 73 - 5 - Peak 391 from cnoeabs.peaks (8.07, 3.85, 59.58 ppm; 3.47 A): 2 out of 6 assignments used, quality = 0.98: H LYS 13 + HA LYS 12 OK 97 100 - 97 - 3.6=92, 6163/2.9=24...(15) * H ILE 15 + HA LYS 12 OK 53 100 - 54 - 4.0/392=14, 6206=12...(15) H LYS 39 - HA LYS 12 OK 31 94 - 33 - 425/3.7=5, 6605/3.0=5...(12) H GLU 75 - HA LYS 12 OK 13 100 - 13 - 6160/2.9=2, 425/3.7=1 H GLU 17 - HA LYS 12 OK 10 90 - 12 - 4.6/6225=3, 645/392=2 H SER 102 - HA LYS 12 lone 4 77 - 5 - Peak 392 from cnoeabs.peaks (1.73, 3.85, 59.58 ppm; 3.06 A): 1 out of 7 assignments used, quality = 0.48: * HB ILE 15 + HA LYS 12 OK 48 100 - 48 - 644=11, 3.2/8381=8...(12) HD2 LYS 90 - HA LYS 12 lone 9 92 - 10 - 3973/3.7=2, 1.8/387=1, 2.9/385=1 HB3 LEU 70 - HA LYS 12 poor 9 81 - 10 - 1.8/3132=2, 3141=1 HD3 LYS 33 - HA LYS 12 lone 3 99 - 3 - HD2 LYS 33 - HA LYS 12 lone 3 99 - 3 - HD2 ARG 81 - HA LYS 12 lone 2 99 - 2 - HB2 GLU 28 - HA LYS 12 lone 1 84 - 1 - Peak 393 from cnoeabs.peaks (8.56, 1.86, 32.38 ppm; 3.26 A): 2 out of 16 assignments used, quality = 0.98: * H LYS 12 + HB2 LYS 12 OK 85 100 - 85 - 4.0=55, 415/3.0=16...(14) H LYS 12 + HB3 LYS 12 OK 85 99 - 85 - 4.0=55, 415/3.0=16...(14) H LYS 12 - HB3 LYS 39 OK 19 90 - 21 - 6152=5, 2.9/382=3...(10) H GLN 50 - HB2 LYS 12 lone 7 81 - 9 - 380/3.0=3, 415/3.0=2...(4) H GLN 50 - HB3 LYS 12 lone 7 79 - 9 - 380/3.0=3, 415/3.0=2...(4) H LYS 12 - HB3 LYS 68 lone 5 69 - 7 - 6153=2, 2.9/383=1 H ASP 61 - HB2 LYS 12 lone 2 77 - 3 - H ASP 61 - HB3 LYS 12 lone 2 75 - 3 - H GLN 50 - HB3 LYS 39 lone 1 67 - 2 - H VAL 58 - HB2 LYS 12 lone 1 57 - 2 - H VAL 58 - HB3 LYS 12 lone 1 56 - 2 - H VAL 58 - HB3 LYS 68 lone 1 33 - 3 - H ASP 61 - HB3 LYS 39 lone 1 64 - 1 - H VAL 58 - HB3 LYS 39 lone 1 46 - 1 - H GLN 50 - HB3 LYS 68 lone 0 49 - 1 - H ASP 61 - HB3 LYS 68 lone 0 46 - 1 - Peak 394 from cnoeabs.peaks (3.85, 1.86, 32.38 ppm; 3.10 A): 2 out of 36 assignments used, quality = 1.00: * HA LYS 12 + HB2 LYS 12 OK 100 100 - 100 - 3.0=100 HA LYS 12 + HB3 LYS 12 OK 99 99 - 100 - 3.0=100 HA LYS 40 - HB3 LYS 39 OK 35 78 - 45 - 2.9/6621=9, ~1690=8...(14) HA LYS 12 - HB3 LYS 39 OK 28 90 - 32 - 382=5, 384/3.0=4...(14) HA ALA 67 - HB3 LYS 68 OK 21 69 - 31 - 3.6/7108=8, 3.0/7087=4...(10) HA ALA 67 - HB2 LYS 12 OK 20 100 - 20 - 3.0/7087=3, 2.1/10784=2...(7) HA ALA 67 - HB3 LYS 12 OK 20 99 - 20 - 3.0/7087=3, 2.1/10784=2...(7) HA LYS 40 - HB2 LYS 12 OK 19 92 - 21 - 2.9/6621=4, ~6621=2...(7) HA LYS 40 - HB3 LYS 12 OK 19 90 - 21 - 2.9/6621=4, ~6621=2...(7) HA LYS 40 - HB3 LYS 68 OK 16 58 - 27 - 2.9/6621=3, 1779/4.0=3...(10) HA LEU 38 - HB3 LYS 39 OK 15 50 - 30 - 3.6/6605=7, ~10547=6...(9) HA ALA 67 - HB3 LYS 39 OK 13 90 - 14 - 3.6/7108=3, 2.1/10784=2...(6) HA LYS 12 - HB3 LYS 68 OK 11 69 - 16 - 383=2, 7104/4.0=1...(4) HA ALA 71 - HB3 LYS 68 poor 10 60 - 16 - 7121/4.6=3, 3.0/10823=3...(7) HA LYS 94 - HB3 LYS 39 poor 8 76 - 10 - 4174/3.0=1, ~7507=1...(4) HB3 SER 49 - HB2 LYS 12 lone 8 100 - 8 - 2272/4.0=1, 416/3.0=1 HB3 SER 49 - HB3 LYS 12 lone 8 99 - 8 - 2272/4.0=1, 416/3.0=1 HA ALA 71 - HB2 LYS 12 lone 8 94 - 8 - 3.0/10823=1 HA ALA 71 - HB3 LYS 12 lone 8 92 - 8 - 3.0/10823=1 HA LYS 94 - HB3 LYS 68 poor 8 56 - 14 - 4176/2.9=2, 4174/2.9=1...(5) HA LYS 94 - HB2 LYS 12 lone 7 90 - 8 - 416/3.0=1 HA LYS 94 - HB3 LYS 12 lone 7 88 - 8 - 416/3.0=1 HA LEU 38 - HB2 LYS 12 poor 7 61 - 11 - 3.6/6605=3, 6164/4.2=1 HA LEU 38 - HB3 LYS 12 poor 7 60 - 11 - 3.6/6605=3, 6164/4.2=1 HA2 GLY 101 - HB2 LYS 12 lone 4 90 - 4 - HA2 GLY 101 - HB3 LYS 12 lone 4 88 - 4 - HA ALA 71 - HB3 LYS 39 lone 4 80 - 4 - HB3 SER 49 - HB3 LYS 39 lone 3 90 - 4 - 9080/4.6=1 HA2 GLY 100 - HB3 LYS 39 lone 2 76 - 3 - 6628/4.6=1 HA2 GLY 100 - HB2 LYS 12 lone 2 90 - 3 - HA2 GLY 100 - HB3 LYS 12 lone 2 88 - 3 - HA LEU 38 - HB3 LYS 68 lone 2 35 - 6 - 3.6/6605=3 HA2 GLY 101 - HB3 LYS 39 lone 1 76 - 2 - HB3 SER 49 - HB3 LYS 68 lone 1 69 - 2 - HA2 GLY 100 - HB3 LYS 68 lone 1 56 - 2 - HA2 GLY 101 - HB3 LYS 68 lone 1 56 - 1 - Peak 395 from cnoeabs.peaks (1.86, 1.86, 32.38 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 LYS 12 + HB2 LYS 12 OK 100 100 - 100 HB3 LYS 12 + HB3 LYS 12 OK 99 99 - 100 HB3 LYS 39 + HB3 LYS 39 OK 90 90 - 100 HB3 LYS 68 + HB3 LYS 68 OK 63 63 - 100 Peak 396 from cnoeabs.peaks (1.87, 1.86, 32.38 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 LYS 12 + HB2 LYS 12 OK 100 100 - 100 HB3 LYS 12 + HB3 LYS 12 OK 99 99 - 100 HB3 LYS 39 + HB3 LYS 39 OK 88 88 - 100 HB3 LYS 68 + HB3 LYS 68 OK 66 66 - 100 Reference assignment not found: HB3 LYS 12 - HB2 LYS 12 Peak 397 from cnoeabs.peaks (1.45, 1.86, 32.38 ppm; 3.11 A): 6 out of 64 assignments used, quality = 1.00: * HG2 LYS 12 + HB2 LYS 12 OK 100 100 - 100 - 3.0=100 HG2 LYS 12 + HB3 LYS 12 OK 99 99 - 100 - 3.0=100 HG3 LYS 39 + HB3 LYS 39 OK 88 88 - 100 - 3.0=100 HG3 LYS 39 + HB2 LYS 12 OK 53 99 - 53 - 1716=8, 1716/1.8=5...(22) HG3 LYS 39 + HB3 LYS 12 OK 52 98 - 53 - 1716=8, 1716/1.8=6...(21) HG3 LYS 39 + HB3 LYS 68 OK 45 67 - 68 - 1716=10, 1717/2.9=6...(36) HG2 LYS 12 - HB3 LYS 39 OK 33 90 - 37 - 417=5, 1685/1.8=4...(17) HG13 ILE 76 - HB3 LYS 39 OK 29 80 - 37 - ~8956=4, 1685/1.8=3...(15) HG LEU 29 - HB2 LYS 12 OK 25 92 - 28 - 3.6/8668=2, 3.0/8670=2...(12) HG LEU 29 - HB3 LYS 12 OK 25 90 - 28 - 3.6/8668=2, 2.1/8674=2...(12) HG2 LYS 13 - HB2 LYS 12 OK 22 77 - 29 - 4.8/6165=5, 384/3.0=2...(7) HG2 LYS 13 - HB3 LYS 12 OK 21 75 - 29 - 4.8/6165=5, 384/3.0=2...(7) HB2 LEU 38 - HB3 LYS 39 OK 20 78 - 25 - 1633/4.0=5, 1671/3.0=3...(10) HG LEU 29 - HB3 LYS 39 OK 17 78 - 22 - ~10568=4, 1685/1.8=2...(11) HB2 LEU 27 - HB2 LYS 12 OK 17 87 - 20 - 3.1/10484=3, ~10484=2...(4) HB2 LEU 27 - HB3 LYS 12 OK 17 85 - 20 - 3.1/10484=3, ~10484=2...(4) HG LEU 29 - HB3 LYS 68 OK 16 58 - 27 - ~8671=3, ~8685=3...(13) HG2 LYS 12 - HB3 LYS 68 OK 13 69 - 19 - 418=3, 1.8/429=2...(4) HG LEU 38 - HB3 LYS 39 OK 13 67 - 19 - 6598/4.0=3, 1671/3.0=2...(8) HB2 LEU 38 - HB2 LYS 12 OK 11 92 - 13 - 4.6/6605=2, 1633/4.2=2 HB2 LEU 38 - HB3 LYS 12 OK 11 90 - 12 - 4.6/6605=2, 1633/4.2=2 HG13 ILE 76 - HB2 LYS 12 OK 11 94 - 11 - 384/3.0=1 HG13 ILE 76 - HB3 LYS 12 OK 10 92 - 11 - 384/3.0=1 QB ALA 22 - HB2 LYS 12 lone 9 92 - 10 - 8582/1.8=1, 8581/3.0=1 QB ALA 22 - HB3 LYS 12 lone 9 90 - 10 - 8582/1.8=1, 8581/3.0=1, 8582=1 HB2 LEU 27 - HB3 LYS 39 poor 9 73 - 12 - 3.1/10484=1, 1191/3.0=1 HD2 LYS 82 - HB3 LYS 39 poor 9 67 - 13 - ~3705=1 HD2 LYS 40 - HB3 LYS 39 poor 8 50 - 16 - 6.2/6621=3, ~1684=1, 6600/4.0=1 QB ALA 22 - HB3 LYS 39 lone 7 78 - 9 - HG13 ILE 76 - HB3 LYS 68 poor 7 60 - 11 - QB ALA 22 - HB3 LYS 68 poor 7 58 - 11 - 1007/3.0=3, ~786=2...(4) HG13 ILE 52 - HB3 LYS 39 lone 6 73 - 8 - ~8953=1, ~10566=1 HD2 LYS 40 - HB3 LYS 68 poor 6 35 - 17 - HG LEU 38 - HB2 LYS 12 lone 6 81 - 7 - 6167/4.2=1 HG LEU 38 - HB3 LYS 12 lone 6 79 - 7 - 6167/4.2=1 HB2 LEU 27 - HB3 LYS 68 lone 5 53 - 10 - 3.1/10484=1 HG2 LYS 13 - HB3 LYS 39 lone 5 64 - 8 - 4.8/6165=2 HD2 LYS 40 - HB2 LYS 12 lone 5 61 - 7 - 6.2/6621=1 HD2 LYS 40 - HB3 LYS 12 lone 4 60 - 7 - 6.2/6621=1 HB2 LEU 38 - HB3 LYS 68 lone 4 58 - 7 - 4.6/6605=2, ~12320=1 HG2 LYS 53 - HB3 LYS 68 lone 4 38 - 10 - ~2406=1, ~2450=1...(4) HD2 LYS 53 - HB3 LYS 68 lone 4 49 - 8 - ~2450=2, 2439/1.8=2 HG13 ILE 52 - HB2 LYS 12 lone 4 87 - 4 - HG13 ILE 52 - HB3 LYS 12 lone 4 85 - 4 - HG3 ARG 91 - HB2 LYS 12 lone 3 97 - 3 - HG3 ARG 91 - HB3 LYS 12 lone 3 96 - 3 - HG2 LYS 20 - HB3 LYS 68 lone 3 53 - 6 - HG LEU 38 - HB3 LYS 68 lone 3 49 - 5 - ~12320=2 HG3 ARG 91 - HB3 LYS 39 lone 2 84 - 3 - HD2 LYS 82 - HB2 LYS 12 lone 2 81 - 2 - HD2 LYS 82 - HB3 LYS 12 lone 2 79 - 2 - HG2 LYS 20 - HB2 LYS 12 lone 2 87 - 2 - HD2 LYS 82 - HB3 LYS 68 lone 2 49 - 3 - HG2 LYS 20 - HB3 LYS 12 lone 2 85 - 2 - HG2 LYS 20 - HB3 LYS 39 lone 1 73 - 2 - HD2 LYS 53 - HB2 LYS 12 lone 1 81 - 2 - HD2 LYS 53 - HB3 LYS 12 lone 1 79 - 2 - HG2 LYS 13 - HB3 LYS 68 lone 1 46 - 2 - HG2 LYS 53 - HB2 LYS 12 lone 1 65 - 2 - HG2 LYS 53 - HB3 LYS 12 lone 1 64 - 2 - HG13 ILE 52 - HB3 LYS 68 lone 1 53 - 2 - HD2 LYS 53 - HB3 LYS 39 lone 1 67 - 1 - HG3 ARG 91 - HB3 LYS 68 lone 1 63 - 1 - HG2 LYS 53 - HB3 LYS 39 lone 1 53 - 1 - Peak 398 from cnoeabs.peaks (1.59, 1.86, 32.38 ppm; 3.04 A): 4 out of 52 assignments used, quality = 1.00: * HG3 LYS 12 + HB2 LYS 12 OK 100 100 - 100 - 3.0=100 HG3 LYS 12 + HB3 LYS 12 OK 99 99 - 100 - 3.0=100 HD2 LYS 66 + HB2 LYS 12 OK 47 97 - 48 - 2933=6, 2933/1.8=5...(21) HD2 LYS 66 + HB3 LYS 12 OK 46 96 - 48 - 2933=5, 2933/1.8=5...(21) HB3 LEU 29 - HB3 LYS 12 OK 29 99 - 30 - 2.9/8668=3, 420/3.0=2...(15) HB3 LEU 29 - HB2 LYS 12 OK 29 100 - 30 - 2.9/8668=3, 420/3.0=2...(15) HG3 LYS 12 - HB3 LYS 39 OK 26 90 - 29 - 1.8/417=4, 428=3...(14) HG2 LYS 24 - HB2 LYS 12 OK 25 96 - 26 - 420/3.0=3, 428=2...(8) HG2 LYS 24 - HB3 LYS 12 OK 24 94 - 26 - 420/3.0=3, 428=2...(8) HG LEU 27 - HB2 LYS 12 OK 20 99 - 20 - 2.1/10484=3, ~10484=2...(6) HG LEU 27 - HB3 LYS 12 OK 20 98 - 20 - 2.1/10484=3, ~10484=2...(6) HD3 LYS 94 - HB3 LYS 68 OK 19 67 - 29 - 4245/2.9=3, 4247/2.9=2...(5) HG3 LYS 90 - HB3 LYS 68 OK 17 58 - 29 - 3960/1.8=4, ~3949=3...(14) HB3 LEU 29 - HB3 LYS 68 OK 16 69 - 24 - ~8671=2, ~8512=2...(13) HB3 LEU 29 - HB3 LYS 39 OK 15 90 - 17 - ~10568=3, 1283/3.0=2...(6) HD2 LYS 66 - HB3 LYS 68 OK 14 63 - 22 - 2933=3, 1.8/2944=3...(9) HG3 LYS 73 - HB2 LYS 12 OK 14 99 - 14 - 420/3.0=2, 428=2...(6) HG3 LYS 73 - HB3 LYS 12 OK 14 98 - 14 - 420/3.0=2, 428=2...(6) HG3 LYS 90 - HB2 LYS 12 OK 13 92 - 14 - 420/3.0=1, 385/3.0=1, ~3951=1 HG3 LYS 90 - HB3 LYS 12 OK 13 90 - 14 - 420/3.0=1, 385/3.0=1, ~3951=1 HG3 LYS 12 - HB3 LYS 68 OK 12 69 - 18 - 1.8/418=2, 429=2 HD3 LYS 94 - HB2 LYS 12 lone 10 99 - 10 - 385/3.0=1 HD3 LYS 94 - HB3 LYS 12 lone 10 98 - 10 - 385/3.0=1 HG2 ARG 19 - HB3 LYS 68 poor 9 60 - 15 - 809/3.0=3, ~818=2...(7) HD3 LYS 94 - HB3 LYS 39 lone 9 88 - 10 - 4245/3.0=1 HG LEU 27 - HB3 LYS 39 lone 8 88 - 9 - 2.1/10484=1, 1207/3.0=1 HD2 LYS 66 - HB3 LYS 39 lone 7 84 - 8 - 2933=1, 1.8/2944=1 HG LEU 27 - HB3 LYS 68 lone 7 67 - 10 - 2.1/10484=1, ~8640=1 HB2 LEU 103 - HB3 LYS 68 lone 6 60 - 10 - ~2997=1, ~12320=1...(4) HG3 LYS 90 - HB3 LYS 39 lone 5 78 - 7 - HB2 LEU 103 - HB3 LYS 39 lone 4 80 - 5 - ~10560=1, 4.3/7665=1 HG2 ARG 19 - HB2 LYS 12 lone 4 94 - 4 - HB2 ARG 30 - HB2 LYS 12 lone 4 94 - 4 - 4.0/8715=1 HB2 ARG 30 - HB3 LYS 12 lone 3 92 - 4 - 4.0/8715=1 HG2 ARG 19 - HB3 LYS 12 lone 3 92 - 4 - HG LEU 103 - HB3 LYS 68 lone 3 53 - 5 - ~12320=2 HB2 LEU 103 - HB2 LYS 12 lone 3 94 - 3 - HB2 LEU 103 - HB3 LYS 12 lone 3 92 - 3 - HB2 ARG 79 - HB3 LYS 68 lone 3 65 - 4 - HB2 ARG 79 - HB2 LYS 12 lone 2 98 - 2 - HB2 ARG 79 - HB3 LYS 12 lone 2 97 - 2 - HG3 LYS 73 - HB3 LYS 39 lone 2 88 - 2 - HB2 ARG 30 - HB3 LYS 39 lone 2 80 - 2 - HG LEU 103 - HB2 LYS 12 lone 2 87 - 2 - HG LEU 103 - HB3 LYS 12 lone 2 85 - 2 - HB2 ARG 79 - HB3 LYS 39 lone 2 86 - 2 - HB2 ARG 30 - HB3 LYS 68 lone 1 60 - 2 - HG2 LYS 24 - HB3 LYS 39 lone 1 83 - 2 - HG3 LYS 73 - HB3 LYS 68 lone 1 67 - 2 - HG2 ARG 19 - HB3 LYS 39 lone 1 80 - 2 - HG2 LYS 24 - HB3 LYS 68 lone 1 62 - 2 - HG LEU 103 - HB3 LYS 39 lone 1 73 - 1 - Peak 399 from cnoeabs.peaks (1.70, 1.86, 32.38 ppm; 2.99 A): 4 out of 68 assignments used, quality = 1.00: * HD2 LYS 12 + HB2 LYS 12 OK 88 100 - 88 - 3.6=58, 3.0/417=9...(47) HD3 LYS 12 + HB2 LYS 12 OK 88 100 - 88 - 3.6=58, 3.0/417=9...(47) HD3 LYS 12 + HB3 LYS 12 OK 88 99 - 88 - 3.6=58, 3.0/417=9...(47) HD2 LYS 12 + HB3 LYS 12 OK 88 99 - 88 - 3.6=58, 3.0/417=9...(47) HD3 LYS 66 - HB2 LYS 12 OK 42 100 - 42 - 1.8/2933=5, 2944=5...(20) HD3 LYS 66 - HB3 LYS 12 OK 41 99 - 42 - 1.8/2933=5, 2944=5...(19) HG12 ILE 15 - HB2 LYS 12 OK 37 97 - 38 - 2.1/8466=4, ~392=4...(18) HG12 ILE 15 - HB3 LYS 12 OK 36 96 - 38 - 2.1/8466=5, ~392=4...(18) HD3 LYS 13 - HB2 LYS 12 OK 33 100 - 33 - 6.0/6165=2, 421/3.0=2...(7) HD2 LYS 13 - HB2 LYS 12 OK 33 100 - 33 - 6.0/6165=2, 422/3.0=2...(8) HD3 LYS 13 - HB3 LYS 12 OK 33 99 - 33 - 6.0/6165=2, 421/3.0=2...(7) HD2 LYS 13 - HB3 LYS 12 OK 33 99 - 33 - 6.0/6165=2, 422/3.0=2...(8) HD3 LYS 24 - HB2 LYS 12 OK 29 99 - 30 - 421/3.0=2, 450=1...(6) HD2 LYS 24 - HB2 LYS 12 OK 29 99 - 30 - 422/3.0=2, 439=1...(6) HD3 LYS 24 - HB3 LYS 12 OK 29 98 - 30 - 421/3.0=2, 450=1...(6) HD2 LYS 24 - HB3 LYS 12 OK 29 98 - 30 - 421/3.0=2, 450=1...(6) HG LEU 70 - HB3 LYS 39 OK 18 90 - 20 - ~10822=8, ~9546=3...(6) HD3 LYS 90 - HB3 LYS 68 OK 16 67 - 24 - 3982/1.8=3, ~3971=3...(12) HD3 LYS 12 - HB3 LYS 39 OK 15 90 - 17 - 3.0/417=3, 3.0/428=2...(4) HD2 LYS 12 - HB3 LYS 39 OK 15 90 - 17 - 3.0/417=3, 3.0/428=2...(4) HD3 LYS 66 - HB3 LYS 68 OK 15 69 - 22 - 2944=3, 1.8/2933=2...(7) HB3 LYS 40 - HB3 LYS 39 OK 14 57 - 25 - 4.1/6621=6, ~10561=2...(10) HD3 LYS 90 - HB2 LYS 12 OK 11 99 - 11 - ~392=1, ~3973=1 HD3 LYS 90 - HB3 LYS 12 OK 11 98 - 11 - ~392=1, ~3973=1 HB3 LEU 70 - HB3 LYS 39 poor 9 64 - 14 - ~10822=6, ~9546=3...(6) HB3 LYS 40 - HB3 LYS 68 poor 9 41 - 21 - 4.1/6621=2, 1797/2.9=1...(5) HG LEU 70 - HB2 LYS 12 lone 8 100 - 8 - HG LEU 70 - HB3 LYS 12 lone 8 99 - 8 - HB3 LYS 40 - HB2 LYS 12 poor 8 70 - 11 - 4.1/6621=3 HB3 LYS 40 - HB3 LYS 12 poor 7 68 - 11 - 4.1/6621=3 HB2 LEU 2 - HB3 LYS 39 lone 7 90 - 8 - 55/3.0=1 HD3 LYS 66 - HB3 LYS 39 lone 7 90 - 7 - 2944=1, 1.8/2933=1 HD3 LYS 12 - HB3 LYS 68 lone 6 69 - 9 - 3.0/418=1, 3982/1.8=1, 3.0/429=1 HD2 LYS 12 - HB3 LYS 68 lone 6 69 - 9 - 3.0/418=1, 3982/1.8=1, 3.0/429=1 HG12 ILE 15 - HB3 LYS 39 lone 6 84 - 7 - HB3 LEU 70 - HB2 LYS 12 lone 6 77 - 7 - HB3 LEU 70 - HB3 LYS 12 lone 6 75 - 7 - HD3 LYS 90 - HB3 LYS 39 lone 5 88 - 5 - HB3 LYS 53 - HB3 LYS 68 lone 4 46 - 10 - 2406/1.8=2, ~2384=1, ~3023=1 HD2 LYS 13 - HB3 LYS 39 lone 4 90 - 4 - HD3 LYS 13 - HB3 LYS 39 lone 4 90 - 4 - HB2 LEU 2 - HB2 LYS 12 lone 3 100 - 3 - HB2 LEU 2 - HB3 LYS 12 lone 3 99 - 3 - HG12 ILE 15 - HB3 LYS 68 lone 2 63 - 4 - HG2 PRO 86 - HB2 LYS 12 lone 2 96 - 2 - HD3 LYS 47 - HB2 LYS 12 lone 2 61 - 3 - HG2 PRO 86 - HB3 LYS 12 lone 2 94 - 2 - HG LEU 70 - HB3 LYS 68 lone 2 69 - 3 - HD3 LYS 47 - HB3 LYS 12 lone 2 60 - 3 - HB3 LEU 70 - HB3 LYS 68 lone 2 46 - 4 - 4.1/10823=2 HG2 PRO 86 - HB3 LYS 39 lone 2 83 - 2 - HB2 LEU 2 - HB3 LYS 68 lone 2 69 - 2 - HB3 ARG 91 - HB2 LYS 12 lone 1 65 - 2 - HB3 ARG 91 - HB3 LYS 12 lone 1 64 - 2 - HD3 LYS 24 - HB3 LYS 39 lone 1 88 - 1 - HD2 LYS 24 - HB3 LYS 39 lone 1 87 - 1 - HB3 LYS 53 - HB3 LYS 12 lone 1 75 - 1 - HG2 PRO 86 - HB3 LYS 68 lone 1 62 - 2 - HB3 LYS 53 - HB2 LYS 12 lone 1 77 - 1 - HD3 LYS 24 - HB3 LYS 68 lone 1 67 - 2 - HD2 LYS 13 - HB3 LYS 68 lone 1 69 - 2 - HD3 LYS 13 - HB3 LYS 68 lone 1 69 - 2 - HD2 LYS 24 - HB3 LYS 68 lone 1 66 - 2 - HB3 ARG 91 - HB3 LYS 39 lone 1 53 - 2 - HB3 LYS 53 - HB3 LYS 39 lone 1 64 - 1 - HD3 LYS 47 - HB3 LYS 39 lone 0 50 - 1 - HB3 ARG 91 - HB3 LYS 68 lone 0 38 - 1 - HD3 LYS 47 - HB3 LYS 68 lone 0 35 - 1 - Peak 400 from cnoeabs.peaks (1.70, 1.86, 32.38 ppm; 2.99 A): 4 out of 68 assignments used, quality = 1.00: HD2 LYS 12 + HB2 LYS 12 OK 88 100 - 88 - 3.6=58, 3.0/417=9...(47) * HD3 LYS 12 + HB2 LYS 12 OK 88 100 - 88 - 3.6=58, 3.0/417=9...(47) HD3 LYS 12 + HB3 LYS 12 OK 88 99 - 88 - 3.6=58, 3.0/417=9...(47) HD2 LYS 12 + HB3 LYS 12 OK 88 99 - 88 - 3.6=58, 3.0/417=9...(47) HD3 LYS 66 - HB2 LYS 12 OK 42 100 - 42 - 1.8/2933=5, 2944=5...(20) HD3 LYS 66 - HB3 LYS 12 OK 41 99 - 42 - 1.8/2933=5, 2944=5...(19) HG12 ILE 15 - HB2 LYS 12 OK 37 97 - 38 - 2.1/8466=4, ~392=4...(18) HG12 ILE 15 - HB3 LYS 12 OK 36 96 - 38 - 2.1/8466=5, ~392=4...(18) HD3 LYS 13 - HB2 LYS 12 OK 33 100 - 33 - 6.0/6165=2, 421/3.0=2...(7) HD2 LYS 13 - HB2 LYS 12 OK 33 100 - 33 - 6.0/6165=2, 422/3.0=2...(8) HD3 LYS 13 - HB3 LYS 12 OK 33 99 - 33 - 6.0/6165=2, 421/3.0=2...(7) HD2 LYS 13 - HB3 LYS 12 OK 33 99 - 33 - 6.0/6165=2, 422/3.0=2...(8) HD3 LYS 24 - HB2 LYS 12 OK 29 99 - 30 - 421/3.0=2, 450=1...(6) HD2 LYS 24 - HB2 LYS 12 OK 29 99 - 30 - 422/3.0=2, 439=1...(6) HD3 LYS 24 - HB3 LYS 12 OK 29 98 - 30 - 421/3.0=2, 450=1...(6) HD2 LYS 24 - HB3 LYS 12 OK 29 98 - 30 - 421/3.0=2, 450=1...(6) HG LEU 70 - HB3 LYS 39 OK 18 90 - 20 - ~10822=8, ~9546=3...(6) HD3 LYS 90 - HB3 LYS 68 OK 16 67 - 24 - 3982/1.8=3, ~3971=3...(12) HD3 LYS 12 - HB3 LYS 39 OK 15 90 - 17 - 3.0/417=3, 3.0/428=2...(4) HD2 LYS 12 - HB3 LYS 39 OK 15 90 - 17 - 3.0/417=3, 3.0/428=2...(4) HD3 LYS 66 - HB3 LYS 68 OK 15 69 - 22 - 2944=3, 1.8/2933=2...(7) HB3 LYS 40 - HB3 LYS 39 OK 14 57 - 25 - 4.1/6621=6, ~10561=2...(10) HD3 LYS 90 - HB2 LYS 12 OK 11 99 - 11 - ~392=1, ~3973=1 HD3 LYS 90 - HB3 LYS 12 OK 11 98 - 11 - ~392=1, ~3973=1 HB3 LEU 70 - HB3 LYS 39 poor 9 64 - 14 - ~10822=6, ~9546=3...(6) HB3 LYS 40 - HB3 LYS 68 poor 9 41 - 21 - 4.1/6621=2, 1797/2.9=1...(5) HG LEU 70 - HB2 LYS 12 lone 8 100 - 8 - HG LEU 70 - HB3 LYS 12 lone 8 99 - 8 - HB3 LYS 40 - HB2 LYS 12 poor 8 70 - 11 - 4.1/6621=3 HB3 LYS 40 - HB3 LYS 12 poor 7 68 - 11 - 4.1/6621=3 HB2 LEU 2 - HB3 LYS 39 lone 7 90 - 8 - 55/3.0=1 HD3 LYS 66 - HB3 LYS 39 lone 7 90 - 7 - 2944=1, 1.8/2933=1 HD3 LYS 12 - HB3 LYS 68 lone 6 69 - 9 - 3.0/418=1, 3982/1.8=1, 3.0/429=1 HD2 LYS 12 - HB3 LYS 68 lone 6 69 - 9 - 3.0/418=1, 3982/1.8=1, 3.0/429=1 HG12 ILE 15 - HB3 LYS 39 lone 6 84 - 7 - HB3 LEU 70 - HB2 LYS 12 lone 6 77 - 7 - HB3 LEU 70 - HB3 LYS 12 lone 6 75 - 7 - HD3 LYS 90 - HB3 LYS 39 lone 5 88 - 5 - HB3 LYS 53 - HB3 LYS 68 lone 4 46 - 10 - 2406/1.8=2, ~2384=1, ~3023=1 HD2 LYS 13 - HB3 LYS 39 lone 4 90 - 4 - HD3 LYS 13 - HB3 LYS 39 lone 4 90 - 4 - HB2 LEU 2 - HB2 LYS 12 lone 3 100 - 3 - HB2 LEU 2 - HB3 LYS 12 lone 3 99 - 3 - HG12 ILE 15 - HB3 LYS 68 lone 2 63 - 4 - HG2 PRO 86 - HB2 LYS 12 lone 2 96 - 2 - HD3 LYS 47 - HB2 LYS 12 lone 2 61 - 3 - HG2 PRO 86 - HB3 LYS 12 lone 2 94 - 2 - HG LEU 70 - HB3 LYS 68 lone 2 69 - 3 - HD3 LYS 47 - HB3 LYS 12 lone 2 60 - 3 - HB3 LEU 70 - HB3 LYS 68 lone 2 46 - 4 - 4.1/10823=2 HG2 PRO 86 - HB3 LYS 39 lone 2 83 - 2 - HB2 LEU 2 - HB3 LYS 68 lone 2 69 - 2 - HB3 ARG 91 - HB2 LYS 12 lone 1 65 - 2 - HB3 ARG 91 - HB3 LYS 12 lone 1 64 - 2 - HD3 LYS 24 - HB3 LYS 39 lone 1 88 - 1 - HD2 LYS 24 - HB3 LYS 39 lone 1 87 - 1 - HB3 LYS 53 - HB3 LYS 12 lone 1 75 - 1 - HG2 PRO 86 - HB3 LYS 68 lone 1 62 - 2 - HB3 LYS 53 - HB2 LYS 12 lone 1 77 - 1 - HD3 LYS 24 - HB3 LYS 68 lone 1 67 - 2 - HD2 LYS 13 - HB3 LYS 68 lone 1 69 - 2 - HD3 LYS 13 - HB3 LYS 68 lone 1 69 - 2 - HD2 LYS 24 - HB3 LYS 68 lone 1 66 - 2 - HB3 ARG 91 - HB3 LYS 39 lone 1 53 - 2 - HB3 LYS 53 - HB3 LYS 39 lone 1 64 - 1 - HD3 LYS 47 - HB3 LYS 39 lone 0 50 - 1 - HB3 ARG 91 - HB3 LYS 68 lone 0 38 - 1 - HD3 LYS 47 - HB3 LYS 68 lone 0 35 - 1 - Peak 401 from cnoeabs.peaks (3.01, 1.86, 32.38 ppm; 4.74 A): 2 out of 20 assignments used, quality = 1.00: * HE2 LYS 12 + HB2 LYS 12 OK 100 100 - 100 - 4.8=95, 423/3.0=26...(52) HE2 LYS 12 + HB3 LYS 12 OK 99 99 - 100 - 4.8=95, 423/3.0=26...(52) HB3 ASP 11 - HB2 LYS 12 OK 33 84 - 40 - 4.5/6152=14, 423/3.0=7...(8) HB3 ASP 11 - HB3 LYS 12 OK 32 82 - 39 - 4.5/6152=14, 423/3.0=7...(8) HE2 LYS 12 - HB3 LYS 39 OK 23 90 - 26 - 4.0/417=4, 461=4...(7) HB2 SER 9 - HB2 LYS 12 OK 15 73 - 20 - 6150/4.0=4, 423/3.0=3...(7) HB2 SER 9 - HB3 LYS 12 OK 14 71 - 20 - 6150/4.0=4, 423/3.0=3...(7) HE3 LYS 33 - HB2 LYS 12 OK 13 84 - 15 - 423/3.0=2, 6171/4.2=2...(9) HE2 LYS 33 - HB2 LYS 12 OK 13 84 - 15 - 423/3.0=2, 6171/4.2=2...(9) HE2 LYS 33 - HB3 LYS 12 OK 13 82 - 15 - 423/3.0=2, 6171/4.2=2...(9) HE3 LYS 33 - HB3 LYS 12 OK 13 82 - 15 - 423/3.0=2, 6171/4.2=2...(9) HE2 LYS 12 - HB3 LYS 68 poor 9 69 - 13 - 4.0/418=2, 461=2...(4) HB3 ASP 11 - HB3 LYS 39 lone 5 70 - 8 - 4.5/6152=3, 8378/4.0=1 HB2 SER 9 - HB3 LYS 39 lone 2 60 - 4 - HB3 ASP 11 - HB3 LYS 68 lone 2 51 - 4 - 4.5/6153=1 HE3 LYS 33 - HB3 LYS 39 lone 1 70 - 2 - HE2 LYS 33 - HB3 LYS 39 lone 1 70 - 2 - HB2 SER 9 - HB3 LYS 68 lone 1 43 - 3 - HE3 LYS 33 - HB3 LYS 68 lone 1 51 - 1 - HE2 LYS 33 - HB3 LYS 68 lone 1 51 - 1 - Peak 402 from cnoeabs.peaks (2.96, 1.86, 32.38 ppm; 4.85 A): 10 out of 48 assignments used, quality = 1.00: * HE3 LYS 12 + HB2 LYS 12 OK 100 100 - 100 - 4.8=100 HE3 LYS 12 + HB3 LYS 12 OK 99 99 - 100 - 4.8=100 HE2 LYS 13 + HB2 LYS 12 OK 63 99 - 64 - 424/3.0=6, 7.3/6165=5...(41) HE2 LYS 13 + HB3 LYS 12 OK 62 98 - 64 - 424/3.0=6, 7.3/6165=5...(41) HE3 LYS 13 + HB2 LYS 12 OK 62 97 - 64 - 424/3.0=6, 7.3/6165=5...(41) HE3 LYS 13 + HB3 LYS 12 OK 61 96 - 64 - 424/3.0=6, 7.3/6165=5...(41) HE2 LYS 24 + HB2 LYS 12 OK 58 100 - 58 - 424/3.0=5, 389/3.0=4...(31) HE3 LYS 24 + HB2 LYS 12 OK 58 100 - 58 - 424/3.0=5, 389/3.0=4...(31) HE3 LYS 24 + HB3 LYS 12 OK 57 99 - 58 - 424/3.0=5, 389/3.0=4...(33) HE2 LYS 24 + HB3 LYS 12 OK 57 99 - 58 - 424/3.0=5, 389/3.0=4...(33) HE3 LYS 12 - HB3 LYS 39 OK 22 90 - 25 - 4.0/417=5, 1.8/461=4...(8) HE2 LYS 73 - HB2 LYS 12 OK 14 81 - 17 - 424/3.0=1, 4.0/428=1...(4) HE2 LYS 73 - HB3 LYS 12 OK 13 79 - 17 - 424/3.0=1, 4.0/428=1...(4) HE2 LYS 47 - HB2 LYS 12 OK 12 94 - 13 - 6172/4.2=2, 424/3.0=1, 389/3.0=1 HE3 LYS 47 - HB2 LYS 12 OK 12 94 - 13 - 6172/4.2=2, 424/3.0=1, 389/3.0=1 HE2 LYS 47 - HB3 LYS 12 OK 12 92 - 13 - 6172/4.2=2, 424/3.0=1, 389/3.0=1 HE3 LYS 47 - HB3 LYS 12 OK 12 92 - 13 - 6172/4.2=2, 424/3.0=1, 389/3.0=1 HE3 LYS 73 - HB2 LYS 12 OK 10 61 - 17 - 4.0/428=1, 6181/4.2=1...(4) HE3 LYS 73 - HB3 LYS 12 poor 10 60 - 17 - 4.0/428=1, 6181/4.2=1...(4) HE3 LYS 12 - HB3 LYS 68 poor 9 69 - 12 - 4.0/418=2, 1.8/461=2...(5) HE2 LYS 13 - HB3 LYS 39 lone 7 87 - 8 - 7.3/6165=2 HE3 LYS 13 - HB3 LYS 39 lone 7 84 - 8 - 7.3/6165=2 HB3 PHE 45 - HB2 LYS 12 lone 6 100 - 6 - HB3 PHE 45 - HB3 LYS 12 lone 6 99 - 6 - HE2 LYS 24 - HB3 LYS 39 lone 3 89 - 4 - HE3 LYS 24 - HB3 LYS 39 lone 3 89 - 4 - HB2 PHE 45 - HB2 LYS 12 lone 3 65 - 5 - HB2 PHE 45 - HB3 LYS 12 lone 3 64 - 5 - HB3 PHE 45 - HB3 LYS 39 lone 3 90 - 3 - HE2 LYS 47 - HB3 LYS 39 lone 2 80 - 3 - HE3 LYS 47 - HB3 LYS 39 lone 2 80 - 3 - HB3 PHE 45 - HB3 LYS 68 lone 2 69 - 3 - 3.7/10823=1 HE2 LYS 13 - HB3 LYS 68 lone 2 66 - 3 - HE3 LYS 13 - HB3 LYS 68 lone 2 63 - 3 - HE2 LYS 73 - HB3 LYS 39 lone 2 67 - 3 - HE3 LYS 24 - HB3 LYS 68 lone 2 68 - 2 - HE2 LYS 24 - HB3 LYS 68 lone 2 68 - 2 - HB2 ASN 51 - HB2 LYS 12 lone 2 61 - 2 - HB2 ASN 51 - HB3 LYS 12 lone 2 60 - 2 - HE3 LYS 73 - HB3 LYS 39 lone 1 50 - 3 - HE2 LYS 47 - HB3 LYS 68 lone 1 60 - 2 - HE3 LYS 47 - HB3 LYS 68 lone 1 60 - 2 - HE2 LYS 73 - HB3 LYS 68 lone 1 49 - 3 - HB2 PHE 45 - HB3 LYS 39 lone 1 53 - 2 - HB2 PHE 45 - HB3 LYS 68 lone 1 38 - 3 - 3.7/10823=1 HE3 LYS 73 - HB3 LYS 68 lone 1 35 - 2 - HB2 ASN 51 - HB3 LYS 68 lone 1 35 - 2 - HB2 ASN 51 - HB3 LYS 39 lone 1 50 - 1 - Peak 403 from cnoeabs.peaks (8.07, 1.86, 32.38 ppm; 3.27 A): 3 out of 24 assignments used, quality = 0.98: * H LYS 13 + HB2 LYS 12 OK 76 100 - 76 - 4.2=47, 6163/4.0=16...(13) H LYS 13 + HB3 LYS 12 OK 75 99 - 76 - 4.2=47, 6163/4.0=16...(13) H LYS 39 + HB3 LYS 39 OK 62 83 - 76 - 4.0=53, 1680/1.8=16...(11) H LYS 39 - HB2 LYS 12 OK 41 96 - 43 - 6605=8, 6605/1.8=6...(16) H LYS 39 - HB3 LYS 12 OK 40 94 - 43 - 6605=8, 6605/1.8=6...(16) H LYS 13 - HB3 LYS 39 OK 30 90 - 34 - 6165=8, 1680/1.8=6...(10) H ILE 15 - HB2 LYS 12 OK 26 100 - 27 - 6206/3.0=6, 6160/4.0=4...(9) H ILE 15 - HB3 LYS 12 OK 26 99 - 27 - 6206/3.0=6, 6160/4.0=4...(9) H LYS 39 - HB3 LYS 68 OK 24 62 - 39 - 6605=7, 3.0/1669=4...(16) H ILE 15 - HB3 LYS 39 OK 19 90 - 21 - 1680/1.8=5, 1666/3.0=3...(7) H GLU 75 - HB3 LYS 39 OK 15 90 - 16 - 1680/1.8=3, 1713/3.0=2...(7) H GLU 75 - HB2 LYS 12 lone 8 100 - 8 - 390/3.0=2, 425/3.0=1, 6160/4.0=1 H GLU 75 - HB3 LYS 12 lone 8 99 - 8 - 390/3.0=2, 425/3.0=1, 6160/4.0=1 H LYS 13 - HB3 LYS 68 poor 7 69 - 10 - 6166=2, 3.6/383=1 H GLU 17 - HB2 LYS 12 lone 5 87 - 6 - 391/3.0=1, 6160/4.0=1 H GLU 17 - HB3 LYS 12 lone 5 85 - 6 - 391/3.0=1, 6160/4.0=1 H ILE 15 - HB3 LYS 68 lone 5 69 - 7 - H GLU 75 - HB3 LYS 68 lone 3 69 - 4 - H GLU 17 - HB3 LYS 39 lone 2 73 - 3 - H SER 102 - HB2 LYS 12 lone 2 73 - 2 - H SER 102 - HB3 LYS 12 lone 2 71 - 2 - H SER 102 - HB3 LYS 68 lone 1 43 - 2 - 7641/3.0=1 H GLU 17 - HB3 LYS 68 lone 1 53 - 1 - H SER 102 - HB3 LYS 39 lone 1 60 - 1 - Peak 404 from cnoeabs.peaks (8.56, 1.87, 32.38 ppm; 3.26 A): 2 out of 16 assignments used, quality = 0.98: * H LYS 12 + HB3 LYS 12 OK 85 100 - 85 - 4.0=55, 415/3.0=16...(14) H LYS 12 + HB2 LYS 12 OK 85 99 - 85 - 4.0=55, 415/3.0=16...(14) H LYS 12 - HB3 LYS 39 OK 18 84 - 21 - 6152=5, 2.9/382=3...(10) H GLN 50 - HB3 LYS 12 lone 7 81 - 9 - 380/3.0=3, 415/3.0=2...(4) H GLN 50 - HB2 LYS 12 lone 7 79 - 9 - 380/3.0=3, 415/3.0=2...(4) H LYS 12 - HB3 LYS 68 lone 6 80 - 7 - 6153=2, 2.9/383=1 H ASP 61 - HB3 LYS 12 lone 2 77 - 3 - H ASP 61 - HB2 LYS 12 lone 2 75 - 3 - H VAL 58 - HB3 LYS 12 lone 1 57 - 2 - H GLN 50 - HB3 LYS 39 lone 1 61 - 2 - H VAL 58 - HB2 LYS 12 lone 1 56 - 2 - H VAL 58 - HB3 LYS 68 lone 1 39 - 3 - H ASP 61 - HB3 LYS 39 lone 1 58 - 1 - H GLN 50 - HB3 LYS 68 lone 1 58 - 1 - H ASP 61 - HB3 LYS 68 lone 1 55 - 1 - H VAL 58 - HB3 LYS 39 lone 1 42 - 1 - Peak 405 from cnoeabs.peaks (3.85, 1.87, 32.38 ppm; 3.10 A): 2 out of 36 assignments used, quality = 1.00: * HA LYS 12 + HB3 LYS 12 OK 100 100 - 100 - 3.0=100 HA LYS 12 + HB2 LYS 12 OK 99 99 - 100 - 3.0=100 HA LYS 40 - HB3 LYS 39 OK 33 72 - 45 - 2.9/6621=9, ~1690=8...(14) HA LYS 12 - HB3 LYS 39 OK 27 84 - 32 - 382=5, 384/3.0=4...(14) HA ALA 67 - HB3 LYS 68 OK 25 80 - 31 - 3.6/7108=8, 3.0/7087=4...(10) HA ALA 67 - HB3 LYS 12 OK 20 100 - 20 - 3.0/7087=3, 2.1/10784=2...(7) HA ALA 67 - HB2 LYS 12 OK 20 99 - 20 - 3.0/7087=3, 2.1/10784=2...(7) HA LYS 40 - HB3 LYS 12 OK 19 92 - 21 - 2.9/6621=4, ~6621=2...(7) HA LYS 40 - HB2 LYS 12 OK 19 90 - 21 - 2.9/6621=4, ~6621=2...(7) HA LYS 40 - HB3 LYS 68 OK 19 69 - 27 - 2.9/6621=3, 1779/4.0=3...(10) HA LEU 38 - HB3 LYS 39 OK 14 45 - 30 - 3.6/6605=7, ~10547=6...(10) HA LYS 12 - HB3 LYS 68 OK 13 80 - 16 - 383=2, 7104/4.0=1...(4) HA ALA 67 - HB3 LYS 39 OK 12 84 - 14 - 3.6/7108=3, 2.1/10784=2...(6) HA ALA 71 - HB3 LYS 68 OK 12 71 - 17 - 7121/4.6=3, 3.0/10823=2...(7) HA LYS 94 - HB3 LYS 68 poor 9 66 - 14 - 4176/2.9=2, 4174/2.9=1...(5) HB3 SER 49 - HB3 LYS 12 lone 8 100 - 8 - 2272/4.0=1, 416/3.0=1 HA ALA 71 - HB3 LYS 12 lone 8 94 - 8 - 3.0/10823=1 HB3 SER 49 - HB2 LYS 12 lone 8 99 - 8 - 2272/4.0=1, 416/3.0=1 HA ALA 71 - HB2 LYS 12 lone 8 92 - 8 - 3.0/10823=1 HA LYS 94 - HB3 LYS 39 poor 7 70 - 10 - 4174/3.0=1, ~7507=1...(4) HA LYS 94 - HB3 LYS 12 lone 7 90 - 8 - 416/3.0=1 HA LYS 94 - HB2 LYS 12 lone 7 88 - 8 - 416/3.0=1 HA LEU 38 - HB3 LYS 12 poor 7 61 - 11 - 3.6/6605=3, 6164/4.2=1 HA LEU 38 - HB2 LYS 12 poor 7 60 - 11 - 3.6/6605=3, 6164/4.2=1 HA2 GLY 101 - HB3 LYS 12 lone 4 90 - 4 - HA2 GLY 101 - HB2 LYS 12 lone 4 88 - 4 - HA ALA 71 - HB3 LYS 39 lone 3 75 - 4 - HB3 SER 49 - HB3 LYS 39 lone 3 84 - 4 - 9080/4.6=1 HA LEU 38 - HB3 LYS 68 lone 2 43 - 6 - 3.6/6605=3 HA2 GLY 100 - HB3 LYS 12 lone 2 90 - 3 - HA2 GLY 100 - HB2 LYS 12 lone 2 88 - 3 - HA2 GLY 100 - HB3 LYS 39 lone 2 70 - 3 - 6628/4.6=1 HB3 SER 49 - HB3 LYS 68 lone 1 80 - 2 - HA2 GLY 100 - HB3 LYS 68 lone 1 66 - 2 - HA2 GLY 101 - HB3 LYS 39 lone 1 70 - 2 - HA2 GLY 101 - HB3 LYS 68 lone 1 66 - 1 - Peak 406 from cnoeabs.peaks (1.86, 1.87, 32.38 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 LYS 12 + HB3 LYS 12 OK 100 100 - 100 HB2 LYS 12 + HB2 LYS 12 OK 99 99 - 100 HB3 LYS 39 + HB3 LYS 39 OK 84 84 - 100 HB3 LYS 68 + HB3 LYS 68 OK 75 75 - 100 Reference assignment not found: HB2 LYS 12 - HB3 LYS 12 Peak 407 from cnoeabs.peaks (1.87, 1.87, 32.38 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LYS 12 + HB3 LYS 12 OK 100 100 - 100 HB2 LYS 12 + HB2 LYS 12 OK 99 99 - 100 HB3 LYS 39 + HB3 LYS 39 OK 83 83 - 100 HB3 LYS 68 + HB3 LYS 68 OK 77 77 - 100 Peak 408 from cnoeabs.peaks (1.45, 1.87, 32.38 ppm; 3.11 A): 6 out of 64 assignments used, quality = 1.00: * HG2 LYS 12 + HB3 LYS 12 OK 100 100 - 100 - 3.0=100 HG2 LYS 12 + HB2 LYS 12 OK 99 99 - 100 - 3.0=100 HG3 LYS 39 + HB3 LYS 39 OK 83 83 - 100 - 3.0=100 HG3 LYS 39 + HB3 LYS 68 OK 53 79 - 68 - 1716=10, 1717/2.9=6...(36) HG3 LYS 39 + HB3 LYS 12 OK 52 99 - 53 - 1716=8, 1716/1.8=6...(21) HG3 LYS 39 + HB2 LYS 12 OK 52 98 - 53 - 1716=8, 1716/1.8=5...(22) HG2 LYS 12 - HB3 LYS 39 OK 31 84 - 37 - 417=5, 1685/1.8=4...(17) HG13 ILE 76 - HB3 LYS 39 OK 27 75 - 37 - ~8956=4, 1685/1.8=3...(15) HG LEU 29 - HB3 LYS 12 OK 26 92 - 28 - 3.6/8668=2, 2.1/8674=2...(12) HG LEU 29 - HB2 LYS 12 OK 25 90 - 28 - 3.6/8668=2, 2.1/8674=2...(12) HG2 LYS 13 - HB3 LYS 12 OK 22 77 - 29 - 4.8/6165=5, 384/3.0=2...(7) HG2 LYS 13 - HB2 LYS 12 OK 21 75 - 29 - 4.8/6165=5, 384/3.0=2...(7) HG LEU 29 - HB3 LYS 68 OK 19 69 - 28 - ~8671=3, ~8685=3...(13) HB2 LEU 38 - HB3 LYS 39 OK 18 72 - 25 - 1633/4.0=5, 1671/3.0=3...(11) HB2 LEU 27 - HB3 LYS 12 OK 17 87 - 20 - 3.1/10484=3, ~10484=2...(4) HB2 LEU 27 - HB2 LYS 12 OK 17 85 - 20 - 3.1/10484=3, ~10484=2...(4) HG LEU 29 - HB3 LYS 39 OK 16 72 - 22 - ~10568=4, 1685/1.8=2...(10) HG2 LYS 12 - HB3 LYS 68 OK 16 80 - 19 - 418=3, 1.8/429=2...(4) HG LEU 38 - HB3 LYS 39 OK 12 61 - 19 - 6598/4.0=3, 1671/3.0=2...(9) HB2 LEU 38 - HB3 LYS 12 OK 12 92 - 13 - 4.6/6605=2, 1633/4.2=2 HB2 LEU 38 - HB2 LYS 12 OK 11 90 - 13 - 4.6/6605=2, 1633/4.2=2 HG13 ILE 76 - HB3 LYS 12 OK 11 94 - 11 - 384/3.0=1 HG13 ILE 76 - HB2 LYS 12 OK 10 92 - 11 - 384/3.0=1 QB ALA 22 - HB3 LYS 12 poor 9 92 - 10 - 8582/1.8=1, 8581/3.0=1, 8582=1 QB ALA 22 - HB2 LYS 12 poor 9 90 - 10 - 8582/1.8=1, 8581/3.0=1, 8582=1 HB2 LEU 27 - HB3 LYS 39 poor 8 67 - 12 - 3.1/10484=1, 1191/3.0=1 HD2 LYS 82 - HB3 LYS 39 poor 8 61 - 13 - ~3705=1 QB ALA 22 - HB3 LYS 68 poor 8 69 - 11 - 1007/3.0=3, ~786=2...(4) HG13 ILE 76 - HB3 LYS 68 poor 8 71 - 11 - HD2 LYS 40 - HB3 LYS 68 poor 7 43 - 17 - HD2 LYS 40 - HB3 LYS 39 poor 7 45 - 16 - 6.2/6621=3, ~1684=1, 6600/4.0=1 QB ALA 22 - HB3 LYS 39 lone 6 72 - 9 - HB2 LEU 27 - HB3 LYS 68 lone 6 64 - 10 - 3.1/10484=1 HG LEU 38 - HB3 LYS 12 lone 6 81 - 7 - 6167/4.2=1 HG LEU 38 - HB2 LYS 12 lone 6 79 - 7 - 6167/4.2=1 HG13 ILE 52 - HB3 LYS 39 lone 6 67 - 8 - ~8953=1, ~10566=1 HB2 LEU 38 - HB3 LYS 68 lone 5 69 - 7 - 4.6/6605=2, ~12320=1 HG2 LYS 53 - HB3 LYS 68 poor 5 46 - 10 - ~2406=1, ~2450=1...(4) HG2 LYS 13 - HB3 LYS 39 lone 5 58 - 8 - 4.8/6165=2 HD2 LYS 53 - HB3 LYS 68 lone 5 58 - 8 - ~2450=2, 2439/1.8=2 HD2 LYS 40 - HB3 LYS 12 lone 4 61 - 7 - 6.2/6621=1 HD2 LYS 40 - HB2 LYS 12 lone 4 60 - 7 - 6.2/6621=1 HG13 ILE 52 - HB3 LYS 12 lone 4 87 - 4 - HG2 LYS 20 - HB3 LYS 68 lone 4 64 - 6 - HG13 ILE 52 - HB2 LYS 12 lone 4 85 - 4 - HG3 ARG 91 - HB3 LYS 12 lone 3 97 - 3 - HG3 ARG 91 - HB2 LYS 12 lone 3 96 - 3 - HG LEU 38 - HB3 LYS 68 lone 3 58 - 5 - ~12320=2 HG3 ARG 91 - HB3 LYS 39 lone 2 79 - 3 - HD2 LYS 82 - HB3 LYS 68 lone 2 58 - 3 - HD2 LYS 82 - HB3 LYS 12 lone 2 81 - 2 - HD2 LYS 82 - HB2 LYS 12 lone 2 79 - 2 - HG2 LYS 20 - HB3 LYS 12 lone 2 87 - 2 - HG2 LYS 20 - HB2 LYS 12 lone 2 85 - 2 - HD2 LYS 53 - HB3 LYS 12 lone 1 81 - 2 - HD2 LYS 53 - HB2 LYS 12 lone 1 79 - 2 - HG2 LYS 20 - HB3 LYS 39 lone 1 67 - 2 - HG2 LYS 13 - HB3 LYS 68 lone 1 55 - 2 - HG13 ILE 52 - HB3 LYS 68 lone 1 64 - 2 - HG2 LYS 53 - HB3 LYS 12 lone 1 65 - 2 - HG2 LYS 53 - HB2 LYS 12 lone 1 64 - 2 - HD2 LYS 53 - HB3 LYS 39 lone 1 61 - 1 - HG3 ARG 91 - HB3 LYS 68 lone 1 75 - 1 - HG2 LYS 53 - HB3 LYS 39 lone 1 49 - 1 - Peak 409 from cnoeabs.peaks (1.59, 1.87, 32.38 ppm; 3.04 A): 4 out of 52 assignments used, quality = 1.00: * HG3 LYS 12 + HB3 LYS 12 OK 100 100 - 100 - 3.0=100 HG3 LYS 12 + HB2 LYS 12 OK 99 99 - 100 - 3.0=100 HD2 LYS 66 + HB3 LYS 12 OK 46 97 - 48 - 2933=5, 2933/1.8=5...(21) HD2 LYS 66 + HB2 LYS 12 OK 46 96 - 48 - 2933=5, 2933/1.8=5...(21) HB3 LEU 29 - HB3 LYS 12 OK 30 100 - 30 - 2.9/8668=3, 420/3.0=2...(15) HB3 LEU 29 - HB2 LYS 12 OK 29 99 - 30 - 2.9/8668=3, 420/3.0=2...(15) HG2 LYS 24 - HB3 LYS 12 OK 25 96 - 26 - 420/3.0=3, 428=2...(8) HG3 LYS 12 - HB3 LYS 39 OK 25 84 - 29 - 1.8/417=4, 428=3...(14) HG2 LYS 24 - HB2 LYS 12 OK 24 94 - 26 - 420/3.0=3, 428=2...(8) HD3 LYS 94 - HB3 LYS 68 OK 23 79 - 29 - 4245/2.9=3, 4247/2.9=2...(5) HG LEU 27 - HB3 LYS 12 OK 20 99 - 20 - 2.1/10484=3, ~10484=2...(6) HG LEU 27 - HB2 LYS 12 OK 20 98 - 20 - 2.1/10484=3, ~10484=2...(6) HG3 LYS 90 - HB3 LYS 68 OK 20 69 - 29 - 3960/1.8=4, ~3949=3...(14) HB3 LEU 29 - HB3 LYS 68 OK 19 80 - 24 - ~8671=2, ~8512=2...(13) HD2 LYS 66 - HB3 LYS 68 OK 17 75 - 22 - 2933=3, 1.8/2944=3...(8) HB3 LEU 29 - HB3 LYS 39 OK 14 84 - 17 - ~10568=3, 1283/3.0=2...(6) HG3 LYS 12 - HB3 LYS 68 OK 14 80 - 18 - 1.8/418=2, 429=2 HG3 LYS 73 - HB3 LYS 12 OK 14 99 - 14 - 420/3.0=2, 428=2...(6) HG3 LYS 73 - HB2 LYS 12 OK 14 98 - 14 - 420/3.0=2, 428=2...(6) HG3 LYS 90 - HB3 LYS 12 OK 13 92 - 14 - 420/3.0=1, 385/3.0=1, ~3951=1 HG3 LYS 90 - HB2 LYS 12 OK 13 90 - 14 - 420/3.0=1, 385/3.0=1, ~3951=1 HG2 ARG 19 - HB3 LYS 68 OK 11 71 - 15 - 809/3.0=3, ~818=2...(7) HD3 LYS 94 - HB3 LYS 12 lone 10 99 - 10 - 385/3.0=1 HD3 LYS 94 - HB2 LYS 12 lone 10 98 - 10 - 385/3.0=1 HD3 LYS 94 - HB3 LYS 39 lone 8 83 - 10 - 4245/3.0=1 HG LEU 27 - HB3 LYS 68 lone 8 79 - 10 - 2.1/10484=1, ~8640=1 HG LEU 27 - HB3 LYS 39 lone 7 83 - 9 - 2.1/10484=1, 1207/3.0=1 HB2 LEU 103 - HB3 LYS 68 poor 7 71 - 10 - ~2997=1, 3.0/3009=1...(4) HD2 LYS 66 - HB3 LYS 39 lone 6 79 - 8 - 2933=1 HG3 LYS 90 - HB3 LYS 39 lone 5 72 - 7 - HG LEU 103 - HB3 LYS 68 lone 4 64 - 6 - ~12320=2, 3.7/3009=1 HB2 ARG 30 - HB3 LYS 12 lone 4 94 - 4 - 4.0/8715=1 HB2 ARG 30 - HB2 LYS 12 lone 4 92 - 4 - 4.0/8715=1 HB2 LEU 103 - HB3 LYS 39 lone 4 75 - 5 - ~10560=1, 4.3/7665=1 HG2 ARG 19 - HB2 LYS 12 lone 4 92 - 4 - HG2 ARG 19 - HB3 LYS 12 lone 3 94 - 4 - HB2 ARG 79 - HB3 LYS 68 lone 3 76 - 4 - HB2 LEU 103 - HB3 LYS 12 lone 3 94 - 3 - HB2 LEU 103 - HB2 LYS 12 lone 3 92 - 3 - HB2 ARG 79 - HB3 LYS 12 lone 2 98 - 2 - HB2 ARG 79 - HB2 LYS 12 lone 2 97 - 2 - HG3 LYS 73 - HB3 LYS 39 lone 2 83 - 2 - HB2 ARG 30 - HB3 LYS 39 lone 2 75 - 2 - HG LEU 103 - HB3 LYS 12 lone 2 87 - 2 - HB2 ARG 30 - HB3 LYS 68 lone 2 71 - 2 - HG LEU 103 - HB2 LYS 12 lone 2 85 - 2 - HG3 LYS 73 - HB3 LYS 68 lone 2 79 - 2 - HB2 ARG 79 - HB3 LYS 39 lone 1 80 - 2 - HG2 LYS 24 - HB3 LYS 39 lone 1 77 - 2 - HG2 LYS 24 - HB3 LYS 68 lone 1 73 - 2 - HG2 ARG 19 - HB3 LYS 39 lone 1 75 - 2 - HG LEU 103 - HB3 LYS 39 lone 1 67 - 1 - Peak 410 from cnoeabs.peaks (1.70, 1.87, 32.38 ppm; 2.99 A): 4 out of 68 assignments used, quality = 1.00: * HD2 LYS 12 + HB3 LYS 12 OK 88 100 - 88 - 3.6=58, 3.0/417=9...(47) HD3 LYS 12 + HB3 LYS 12 OK 88 100 - 88 - 3.6=58, 3.0/417=9...(47) HD2 LYS 12 + HB2 LYS 12 OK 88 99 - 88 - 3.6=58, 3.0/417=9...(47) HD3 LYS 12 + HB2 LYS 12 OK 88 99 - 88 - 3.6=58, 3.0/417=9...(47) HD3 LYS 66 - HB3 LYS 12 OK 41 100 - 42 - 1.8/2933=5, 2944=5...(19) HD3 LYS 66 - HB2 LYS 12 OK 41 99 - 42 - 1.8/2933=5, 2944=5...(19) HG12 ILE 15 - HB3 LYS 12 OK 37 97 - 38 - 2.1/8466=5, ~392=4...(18) HG12 ILE 15 - HB2 LYS 12 OK 36 96 - 38 - 2.1/8466=5, ~392=4...(18) HD3 LYS 13 - HB3 LYS 12 OK 33 100 - 33 - 6.0/6165=2, 422/3.0=2...(7) HD2 LYS 13 - HB3 LYS 12 OK 33 100 - 33 - 6.0/6165=2, 422/3.0=2...(8) HD3 LYS 13 - HB2 LYS 12 OK 33 99 - 33 - 6.0/6165=2, 422/3.0=2...(7) HD2 LYS 13 - HB2 LYS 12 OK 33 99 - 33 - 6.0/6165=2, 422/3.0=2...(8) HD3 LYS 24 - HB3 LYS 12 OK 29 99 - 30 - 422/3.0=2, 450=1...(6) HD2 LYS 24 - HB3 LYS 12 OK 29 99 - 30 - 421/3.0=2, 439=1...(6) HD3 LYS 24 - HB2 LYS 12 OK 29 98 - 30 - 421/3.0=2, 450=1...(6) HD2 LYS 24 - HB2 LYS 12 OK 29 98 - 30 - 422/3.0=2, 450=1...(6) HD3 LYS 90 - HB3 LYS 68 OK 19 79 - 24 - 3982/1.8=3, ~3971=3...(12) HD3 LYS 66 - HB3 LYS 68 OK 17 80 - 22 - 2944=3, 1.8/2933=2...(7) HG LEU 70 - HB3 LYS 39 OK 17 84 - 20 - ~10822=8, ~9546=3...(6) HD3 LYS 12 - HB3 LYS 39 OK 14 84 - 17 - 3.0/417=3, 3.0/428=2...(4) HD2 LYS 12 - HB3 LYS 39 OK 14 84 - 17 - 3.0/417=3, 3.0/428=2...(4) HB3 LYS 40 - HB3 LYS 39 OK 13 52 - 25 - 4.1/6621=6, ~10561=2...(10) HD3 LYS 90 - HB3 LYS 12 OK 11 99 - 11 - ~392=1, ~3973=1 HD3 LYS 90 - HB2 LYS 12 OK 11 98 - 11 - ~392=1, ~3973=1 HB3 LYS 40 - HB3 LYS 68 OK 11 49 - 22 - 4.1/6621=2, 1797/2.9=1...(5) HB3 LEU 70 - HB3 LYS 39 poor 8 58 - 14 - ~10822=6, ~9546=3...(6) HG LEU 70 - HB3 LYS 12 lone 8 100 - 8 - HG LEU 70 - HB2 LYS 12 lone 8 99 - 8 - HD2 LYS 12 - HB3 LYS 68 lone 8 80 - 9 - 3.0/418=1, 3982/1.8=1, 3.0/429=1 HD3 LYS 12 - HB3 LYS 68 lone 8 80 - 9 - 3.0/418=1, 3982/1.8=1, 3.0/429=1 HB3 LYS 40 - HB3 LYS 12 poor 7 70 - 11 - 4.1/6621=3 HB3 LYS 40 - HB2 LYS 12 poor 7 68 - 11 - 4.1/6621=3 HB2 LEU 2 - HB3 LYS 39 lone 6 84 - 8 - 55/3.0=1 HD3 LYS 66 - HB3 LYS 39 lone 6 84 - 7 - 2944=1, 1.8/2933=1 HG12 ILE 15 - HB3 LYS 39 lone 6 79 - 7 - HB3 LYS 53 - HB3 LYS 68 poor 6 55 - 10 - 2406/1.8=2, ~2384=1...(4) HB3 LEU 70 - HB3 LYS 12 lone 6 77 - 7 - HB3 LEU 70 - HB2 LYS 12 lone 5 75 - 7 - HD3 LYS 90 - HB3 LYS 39 lone 4 83 - 5 - HD2 LYS 13 - HB3 LYS 39 lone 3 84 - 4 - HD3 LYS 13 - HB3 LYS 39 lone 3 84 - 4 - HB2 LEU 2 - HB3 LYS 12 lone 3 100 - 3 - HB2 LEU 2 - HB2 LYS 12 lone 3 99 - 3 - HG12 ILE 15 - HB3 LYS 68 lone 3 75 - 4 - HG LEU 70 - HB3 LYS 68 lone 2 80 - 3 - HG2 PRO 86 - HB3 LYS 12 lone 2 96 - 2 - HD3 LYS 47 - HB3 LYS 12 lone 2 61 - 3 - HB3 LEU 70 - HB3 LYS 68 lone 2 55 - 4 - 4.1/10823=2 HG2 PRO 86 - HB2 LYS 12 lone 2 94 - 2 - HD3 LYS 47 - HB2 LYS 12 lone 2 60 - 3 - HB2 LEU 2 - HB3 LYS 68 lone 2 80 - 2 - HG2 PRO 86 - HB3 LYS 39 lone 1 77 - 2 - HG2 PRO 86 - HB3 LYS 68 lone 1 73 - 2 - HB3 ARG 91 - HB3 LYS 12 lone 1 65 - 2 - HD3 LYS 24 - HB3 LYS 68 lone 1 79 - 2 - HD2 LYS 13 - HB3 LYS 68 lone 1 80 - 2 - HB3 ARG 91 - HB2 LYS 12 lone 1 64 - 2 - HD3 LYS 13 - HB3 LYS 68 lone 1 80 - 2 - HD2 LYS 24 - HB3 LYS 68 lone 1 77 - 2 - HB3 LYS 53 - HB3 LYS 12 lone 1 77 - 2 - HD3 LYS 24 - HB3 LYS 39 lone 1 83 - 1 - HD2 LYS 24 - HB3 LYS 39 lone 1 81 - 1 - HB3 LYS 53 - HB2 LYS 12 lone 1 75 - 1 - HB3 ARG 91 - HB3 LYS 39 lone 1 49 - 2 - HB3 LYS 53 - HB3 LYS 39 lone 1 58 - 1 - HB3 ARG 91 - HB3 LYS 68 lone 0 46 - 1 - HD3 LYS 47 - HB3 LYS 39 lone 0 45 - 1 - HD3 LYS 47 - HB3 LYS 68 lone 0 43 - 1 - Peak 411 from cnoeabs.peaks (1.70, 1.87, 32.38 ppm; 2.99 A): 4 out of 68 assignments used, quality = 1.00: HD2 LYS 12 + HB3 LYS 12 OK 88 100 - 88 - 3.6=58, 3.0/417=9...(47) * HD3 LYS 12 + HB3 LYS 12 OK 88 100 - 88 - 3.6=58, 3.0/417=9...(47) HD2 LYS 12 + HB2 LYS 12 OK 88 99 - 88 - 3.6=58, 3.0/417=9...(47) HD3 LYS 12 + HB2 LYS 12 OK 88 99 - 88 - 3.6=58, 3.0/417=9...(47) HD3 LYS 66 - HB3 LYS 12 OK 41 100 - 42 - 1.8/2933=5, 2944=5...(19) HD3 LYS 66 - HB2 LYS 12 OK 41 99 - 42 - 1.8/2933=5, 2944=5...(19) HG12 ILE 15 - HB3 LYS 12 OK 37 97 - 38 - 2.1/8466=5, ~392=4...(18) HG12 ILE 15 - HB2 LYS 12 OK 36 96 - 38 - 2.1/8466=5, ~392=4...(18) HD3 LYS 13 - HB3 LYS 12 OK 33 100 - 33 - 6.0/6165=2, 422/3.0=2...(7) HD2 LYS 13 - HB3 LYS 12 OK 33 100 - 33 - 6.0/6165=2, 422/3.0=2...(8) HD3 LYS 13 - HB2 LYS 12 OK 33 99 - 33 - 6.0/6165=2, 422/3.0=2...(7) HD2 LYS 13 - HB2 LYS 12 OK 33 99 - 33 - 6.0/6165=2, 422/3.0=2...(8) HD3 LYS 24 - HB3 LYS 12 OK 29 99 - 30 - 422/3.0=2, 450=1...(6) HD2 LYS 24 - HB3 LYS 12 OK 29 99 - 30 - 421/3.0=2, 439=1...(6) HD3 LYS 24 - HB2 LYS 12 OK 29 98 - 30 - 421/3.0=2, 450=1...(6) HD2 LYS 24 - HB2 LYS 12 OK 29 98 - 30 - 422/3.0=2, 450=1...(6) HD3 LYS 90 - HB3 LYS 68 OK 19 79 - 24 - 3982/1.8=3, ~3971=3...(12) HD3 LYS 66 - HB3 LYS 68 OK 17 80 - 22 - 2944=3, 1.8/2933=2...(7) HG LEU 70 - HB3 LYS 39 OK 17 84 - 20 - ~10822=8, ~9546=3...(6) HD3 LYS 12 - HB3 LYS 39 OK 14 84 - 17 - 3.0/417=3, 3.0/428=2...(4) HD2 LYS 12 - HB3 LYS 39 OK 14 84 - 17 - 3.0/417=3, 3.0/428=2...(4) HB3 LYS 40 - HB3 LYS 39 OK 13 52 - 25 - 4.1/6621=6, ~10561=2...(10) HD3 LYS 90 - HB3 LYS 12 OK 11 99 - 11 - ~392=1, ~3973=1 HD3 LYS 90 - HB2 LYS 12 OK 11 98 - 11 - ~392=1, ~3973=1 HB3 LYS 40 - HB3 LYS 68 OK 11 49 - 22 - 4.1/6621=2, 1797/2.9=1...(5) HB3 LEU 70 - HB3 LYS 39 poor 8 58 - 14 - ~10822=6, ~9546=3...(6) HG LEU 70 - HB3 LYS 12 lone 8 100 - 8 - HG LEU 70 - HB2 LYS 12 lone 8 99 - 8 - HD2 LYS 12 - HB3 LYS 68 lone 8 80 - 9 - 3.0/418=1, 3982/1.8=1, 3.0/429=1 HD3 LYS 12 - HB3 LYS 68 lone 8 80 - 9 - 3.0/418=1, 3982/1.8=1, 3.0/429=1 HB3 LYS 40 - HB3 LYS 12 poor 7 70 - 11 - 4.1/6621=3 HB3 LYS 40 - HB2 LYS 12 poor 7 68 - 11 - 4.1/6621=3 HB2 LEU 2 - HB3 LYS 39 lone 6 84 - 8 - 55/3.0=1 HD3 LYS 66 - HB3 LYS 39 lone 6 84 - 7 - 2944=1, 1.8/2933=1 HG12 ILE 15 - HB3 LYS 39 lone 6 79 - 7 - HB3 LYS 53 - HB3 LYS 68 poor 6 55 - 10 - 2406/1.8=2, ~2384=1...(4) HB3 LEU 70 - HB3 LYS 12 lone 6 77 - 7 - HB3 LEU 70 - HB2 LYS 12 lone 5 75 - 7 - HD3 LYS 90 - HB3 LYS 39 lone 4 83 - 5 - HD2 LYS 13 - HB3 LYS 39 lone 3 84 - 4 - HD3 LYS 13 - HB3 LYS 39 lone 3 84 - 4 - HB2 LEU 2 - HB3 LYS 12 lone 3 100 - 3 - HB2 LEU 2 - HB2 LYS 12 lone 3 99 - 3 - HG12 ILE 15 - HB3 LYS 68 lone 3 75 - 4 - HG LEU 70 - HB3 LYS 68 lone 2 80 - 3 - HG2 PRO 86 - HB3 LYS 12 lone 2 96 - 2 - HD3 LYS 47 - HB3 LYS 12 lone 2 61 - 3 - HB3 LEU 70 - HB3 LYS 68 lone 2 55 - 4 - 4.1/10823=2 HG2 PRO 86 - HB2 LYS 12 lone 2 94 - 2 - HD3 LYS 47 - HB2 LYS 12 lone 2 60 - 3 - HB2 LEU 2 - HB3 LYS 68 lone 2 80 - 2 - HG2 PRO 86 - HB3 LYS 39 lone 1 77 - 2 - HG2 PRO 86 - HB3 LYS 68 lone 1 73 - 2 - HB3 ARG 91 - HB3 LYS 12 lone 1 65 - 2 - HD3 LYS 24 - HB3 LYS 68 lone 1 79 - 2 - HD2 LYS 13 - HB3 LYS 68 lone 1 80 - 2 - HB3 ARG 91 - HB2 LYS 12 lone 1 64 - 2 - HD3 LYS 13 - HB3 LYS 68 lone 1 80 - 2 - HD2 LYS 24 - HB3 LYS 68 lone 1 77 - 2 - HB3 LYS 53 - HB3 LYS 12 lone 1 77 - 2 - HD3 LYS 24 - HB3 LYS 39 lone 1 83 - 1 - HD2 LYS 24 - HB3 LYS 39 lone 1 81 - 1 - HB3 LYS 53 - HB2 LYS 12 lone 1 75 - 1 - HB3 ARG 91 - HB3 LYS 39 lone 1 49 - 2 - HB3 LYS 53 - HB3 LYS 39 lone 1 58 - 1 - HB3 ARG 91 - HB3 LYS 68 lone 0 46 - 1 - HD3 LYS 47 - HB3 LYS 39 lone 0 45 - 1 - HD3 LYS 47 - HB3 LYS 68 lone 0 43 - 1 - Peak 412 from cnoeabs.peaks (3.01, 1.87, 32.38 ppm; 4.74 A): 2 out of 20 assignments used, quality = 1.00: * HE2 LYS 12 + HB3 LYS 12 OK 100 100 - 100 - 4.8=95, 423/3.0=26...(52) HE2 LYS 12 + HB2 LYS 12 OK 99 99 - 100 - 4.8=95, 423/3.0=26...(52) HB3 ASP 11 - HB2 LYS 12 OK 33 82 - 40 - 4.5/6152=14, 423/3.0=7...(8) HB3 ASP 11 - HB3 LYS 12 OK 33 84 - 39 - 4.5/6152=14, 423/3.0=7...(8) HE2 LYS 12 - HB3 LYS 39 OK 22 84 - 26 - 4.0/417=4, 461=4...(7) HB2 SER 9 - HB3 LYS 12 OK 15 73 - 20 - 6150/4.0=4, 423/3.0=3...(8) HB2 SER 9 - HB2 LYS 12 OK 14 71 - 20 - 6150/4.0=4, 423/3.0=3...(8) HE2 LYS 33 - HB3 LYS 12 OK 13 84 - 15 - 423/3.0=2, 6171/4.2=2...(9) HE3 LYS 33 - HB3 LYS 12 OK 13 84 - 15 - 423/3.0=2, 6171/4.2=2...(9) HE3 LYS 33 - HB2 LYS 12 OK 13 82 - 15 - 423/3.0=2, 6171/4.2=2...(9) HE2 LYS 33 - HB2 LYS 12 OK 13 82 - 15 - 423/3.0=2, 6171/4.2=2...(9) HE2 LYS 12 - HB3 LYS 68 OK 11 80 - 13 - 4.0/418=2, 462=2...(4) HB3 ASP 11 - HB3 LYS 39 lone 5 64 - 8 - 4.5/6152=3, 8378/4.0=1 HB3 ASP 11 - HB3 LYS 68 lone 2 61 - 4 - 4.5/6153=1 HB2 SER 9 - HB3 LYS 39 lone 2 55 - 4 - HB2 SER 9 - HB3 LYS 68 lone 1 52 - 3 - HE3 LYS 33 - HB3 LYS 39 lone 1 64 - 2 - HE2 LYS 33 - HB3 LYS 39 lone 1 64 - 2 - HE3 LYS 33 - HB3 LYS 68 lone 1 61 - 1 - HE2 LYS 33 - HB3 LYS 68 lone 1 61 - 1 - Peak 413 from cnoeabs.peaks (2.96, 1.87, 32.38 ppm; 4.85 A): 10 out of 48 assignments used, quality = 1.00: * HE3 LYS 12 + HB3 LYS 12 OK 100 100 - 100 - 4.8=100 HE3 LYS 12 + HB2 LYS 12 OK 99 99 - 100 - 4.8=100 HE2 LYS 13 + HB3 LYS 12 OK 63 99 - 64 - 424/3.0=6, 7.3/6165=5...(41) HE2 LYS 13 + HB2 LYS 12 OK 62 98 - 64 - 424/3.0=6, 7.3/6165=5...(41) HE3 LYS 13 + HB3 LYS 12 OK 62 97 - 64 - 424/3.0=6, 7.3/6165=5...(41) HE3 LYS 13 + HB2 LYS 12 OK 61 96 - 64 - 424/3.0=6, 7.3/6165=5...(41) HE2 LYS 24 + HB3 LYS 12 OK 58 100 - 58 - 424/3.0=5, 389/3.0=4...(33) HE3 LYS 24 + HB3 LYS 12 OK 58 100 - 58 - 424/3.0=5, 389/3.0=4...(33) HE3 LYS 24 + HB2 LYS 12 OK 57 99 - 58 - 424/3.0=5, 389/3.0=4...(31) HE2 LYS 24 + HB2 LYS 12 OK 57 99 - 58 - 424/3.0=5, 389/3.0=4...(31) HE3 LYS 12 - HB3 LYS 39 OK 21 84 - 25 - 4.0/417=5, 1.8/461=4...(8) HE2 LYS 73 - HB3 LYS 12 OK 14 81 - 17 - 424/3.0=1, 4.0/428=1...(4) HE2 LYS 73 - HB2 LYS 12 OK 13 79 - 17 - 424/3.0=1, 4.0/428=1...(4) HE3 LYS 47 - HB3 LYS 12 OK 12 94 - 13 - 6172/4.2=2, 424/3.0=1, 389/3.0=1 HE2 LYS 47 - HB3 LYS 12 OK 12 94 - 13 - 6172/4.2=2, 424/3.0=1, 389/3.0=1 HE2 LYS 47 - HB2 LYS 12 OK 12 92 - 13 - 6172/4.2=2, 424/3.0=1, 389/3.0=1 HE3 LYS 47 - HB2 LYS 12 OK 12 92 - 13 - 6172/4.2=2, 424/3.0=1, 389/3.0=1 HE3 LYS 73 - HB3 LYS 12 OK 10 61 - 16 - 4.0/428=1, 6181/4.2=1...(4) HE3 LYS 12 - HB3 LYS 68 poor 10 80 - 12 - 4.0/418=2, 1.8/462=2...(5) HE3 LYS 73 - HB2 LYS 12 poor 10 60 - 17 - 4.0/428=1, 6181/4.2=1...(4) HE2 LYS 13 - HB3 LYS 39 lone 6 81 - 8 - 7.3/6165=2 HE3 LYS 13 - HB3 LYS 39 lone 6 79 - 8 - 7.3/6165=2 HB3 PHE 45 - HB3 LYS 12 lone 6 100 - 5 - HB3 PHE 45 - HB2 LYS 12 lone 6 99 - 5 - HB2 PHE 45 - HB3 LYS 12 lone 3 65 - 5 - HB2 PHE 45 - HB2 LYS 12 lone 3 64 - 5 - HE3 LYS 24 - HB3 LYS 39 lone 3 83 - 4 - HE2 LYS 24 - HB3 LYS 39 lone 3 83 - 4 - HB3 PHE 45 - HB3 LYS 68 lone 3 80 - 3 - 3.7/10823=1 HE2 LYS 13 - HB3 LYS 68 lone 2 77 - 3 - HE3 LYS 13 - HB3 LYS 68 lone 2 75 - 3 - HB3 PHE 45 - HB3 LYS 39 lone 2 84 - 3 - HE3 LYS 47 - HB3 LYS 39 lone 2 75 - 3 - HE2 LYS 47 - HB3 LYS 39 lone 2 75 - 3 - HE3 LYS 24 - HB3 LYS 68 lone 2 79 - 2 - HE2 LYS 24 - HB3 LYS 68 lone 2 79 - 2 - HE2 LYS 73 - HB3 LYS 39 lone 2 61 - 3 - HE2 LYS 73 - HB3 LYS 68 lone 2 58 - 3 - HE2 LYS 47 - HB3 LYS 68 lone 2 71 - 2 - HE3 LYS 47 - HB3 LYS 68 lone 2 71 - 2 - HB2 ASN 51 - HB3 LYS 12 lone 2 61 - 3 - HB2 ASN 51 - HB2 LYS 12 lone 2 60 - 2 - HB2 PHE 45 - HB3 LYS 68 lone 1 46 - 3 - 3.7/10823=1 HE3 LYS 73 - HB3 LYS 39 lone 1 45 - 3 - HB2 PHE 45 - HB3 LYS 39 lone 1 49 - 2 - HE3 LYS 73 - HB3 LYS 68 lone 1 43 - 2 - HB2 ASN 51 - HB3 LYS 68 lone 1 43 - 2 - HB2 ASN 51 - HB3 LYS 39 lone 1 45 - 1 - Peak 414 from cnoeabs.peaks (8.07, 1.87, 32.38 ppm; 3.27 A): 3 out of 24 assignments used, quality = 0.97: * H LYS 13 + HB3 LYS 12 OK 76 100 - 76 - 4.2=47, 6163/4.0=16...(13) H LYS 13 + HB2 LYS 12 OK 75 99 - 76 - 4.2=47, 6163/4.0=16...(13) H LYS 39 + HB3 LYS 39 OK 58 77 - 76 - 4.0=53, 1680/1.8=16...(11) H LYS 39 - HB3 LYS 12 OK 41 96 - 43 - 6605=8, 6605/1.8=6...(16) H LYS 39 - HB2 LYS 12 OK 40 94 - 43 - 6605=8, 6605/1.8=6...(16) H LYS 39 - HB3 LYS 68 OK 29 73 - 39 - 6605=7, 3.0/1669=4...(16) H LYS 13 - HB3 LYS 39 OK 29 84 - 34 - 6165=8, 1680/1.8=6...(10) H ILE 15 - HB3 LYS 12 OK 27 100 - 27 - 6206/3.0=6, 6160/4.0=4...(8) H ILE 15 - HB2 LYS 12 OK 26 99 - 27 - 6206/3.0=6, 6160/4.0=4...(9) H ILE 15 - HB3 LYS 39 OK 18 84 - 21 - 1680/1.8=5, 1666/3.0=3...(7) H GLU 75 - HB3 LYS 39 OK 14 84 - 16 - 1680/1.8=3, 1713/3.0=2...(7) H LYS 13 - HB3 LYS 68 poor 8 80 - 10 - 6166=2, 3.6/383=1 H GLU 75 - HB3 LYS 12 lone 8 100 - 8 - 390/3.0=2, 425/3.0=1, 6160/4.0=1 H GLU 75 - HB2 LYS 12 lone 8 99 - 8 - 390/3.0=2, 425/3.0=1, 6160/4.0=1 H ILE 15 - HB3 LYS 68 lone 6 80 - 7 - H GLU 17 - HB3 LYS 12 lone 5 87 - 6 - 391/3.0=1, 6160/4.0=1 H GLU 17 - HB2 LYS 12 lone 5 85 - 6 - 391/3.0=1, 6160/4.0=1 H GLU 75 - HB3 LYS 68 lone 3 80 - 4 - H GLU 17 - HB3 LYS 39 lone 2 67 - 3 - H SER 102 - HB3 LYS 12 lone 2 73 - 2 - H SER 102 - HB2 LYS 12 lone 2 71 - 2 - H SER 102 - HB3 LYS 68 lone 1 52 - 2 - 7641/3.0=1 H GLU 17 - HB3 LYS 68 lone 1 64 - 2 - H SER 102 - HB3 LYS 39 lone 1 55 - 1 - Peak 415 from cnoeabs.peaks (8.56, 1.45, 25.00 ppm; 4.13 A): 2 out of 4 assignments used, quality = 0.95: * H LYS 12 + HG2 LYS 12 OK 94 100 - 94 - 4.7=70, 426/1.8=26...(19) H GLN 50 + HG2 LYS 12 OK 12 81 - 14 - 380/3.7=3, 426/1.8=3...(5) H ASP 61 - HG2 LYS 12 lone 3 77 - 4 - 426/1.8=1 H VAL 58 - HG2 LYS 12 lone 2 57 - 3 - Peak 416 from cnoeabs.peaks (3.85, 1.45, 25.00 ppm; 3.84 A): 1 out of 9 assignments used, quality = 1.00: * HA LYS 12 + HG2 LYS 12 OK 100 100 - 100 - 3.7=100 HA LYS 40 - HG2 LYS 12 OK 21 92 - 23 - 2.9/6623=3, ~6621=2...(8) HA ALA 67 - HG2 LYS 12 OK 19 100 - 19 - 427/1.8=2, ~10784=2...(11) HB3 SER 49 - HG2 LYS 12 OK 11 100 - 11 - 4.3/415=2, 2272/4.7=2...(4) HA LYS 94 - HG2 LYS 12 poor 10 90 - 11 - 4177/1.8=2, 6151/4.7=1 HA LEU 38 - HG2 LYS 12 poor 9 61 - 15 - 3.6/425=6 HA ALA 71 - HG2 LYS 12 lone 9 94 - 9 - 427/1.8=1, ~10823=1 HA2 GLY 101 - HG2 LYS 12 lone 5 90 - 5 - HA2 GLY 100 - HG2 LYS 12 lone 3 90 - 3 - Peak 417 from cnoeabs.peaks (1.86, 1.45, 25.00 ppm; 2.86 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 12 + HG2 LYS 12 OK 96 100 - 96 - 3.0=91, 4.0/415=9...(19) HB3 LYS 12 + HG2 LYS 12 OK 96 100 - 96 - 3.0=91, 4.0/415=9...(19) HB3 LYS 39 - HG2 LYS 12 OK 30 100 - 30 - 1.8/1685=3, 4.0/425=3...(13) HB3 LYS 66 - HG2 LYS 12 OK 22 100 - 22 - 2903/1.8=3, 3.6/420=2...(10) HB3 LYS 68 - HG2 LYS 12 OK 14 97 - 15 - 429/1.8=1 HB VAL 5 - HG2 LYS 12 lone 9 100 - 9 - 10193=1 HB3 GLU 104 - HG2 LYS 12 lone 3 98 - 3 - Peak 418 from cnoeabs.peaks (1.87, 1.45, 25.00 ppm; 2.86 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LYS 12 + HG2 LYS 12 OK 96 100 - 96 - 3.0=91, 4.0/415=9...(19) HB2 LYS 12 + HG2 LYS 12 OK 96 100 - 96 - 3.0=91, 4.0/415=9...(19) HB3 LYS 39 - HG2 LYS 12 OK 29 99 - 30 - 1.8/1685=3, 4.0/425=3...(13) HB3 LYS 66 - HG2 LYS 12 OK 22 99 - 22 - 2903/1.8=2, 3.6/420=2...(10) HB3 LYS 68 - HG2 LYS 12 OK 15 99 - 15 - 429/1.8=1 HB VAL 5 - HG2 LYS 12 lone 9 99 - 9 - 10193=1 HB3 GLU 104 - HG2 LYS 12 lone 3 99 - 3 - HB VAL 54 - HG2 LYS 12 lone 2 61 - 4 - Peak 419 from cnoeabs.peaks (1.45, 1.45, 25.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 12 + HG2 LYS 12 OK 100 100 - 100 Peak 420 from cnoeabs.peaks (1.59, 1.45, 25.00 ppm; 2.52 A): 1 out of 13 assignments used, quality = 1.00: * HG3 LYS 12 + HG2 LYS 12 OK 100 100 - 100 - 1.8=100 HD2 LYS 66 - HG2 LYS 12 OK 23 97 - 24 - 2933/3.0=2, 2933/3.0=2...(10) HG2 LYS 24 - HG2 LYS 12 OK 21 96 - 22 - 430=3, 464/4.0=2...(8) HB3 LEU 29 - HG2 LYS 12 OK 17 100 - 17 - 1283=2, 1.8/1275=1...(6) HG LEU 27 - HG2 LYS 12 OK 13 99 - 14 - 1206=1, ~1224=1, 2.1/1222=1 HG3 LYS 73 - HG2 LYS 12 OK 12 99 - 12 - 430=2 HG3 LYS 90 - HG2 LYS 12 poor 9 92 - 10 - ~3951=1 HD3 LYS 94 - HG2 LYS 12 lone 5 99 - 5 - HG2 ARG 19 - HG2 LYS 12 lone 3 94 - 3 - HB2 ARG 30 - HG2 LYS 12 lone 2 94 - 2 - HB2 LEU 103 - HG2 LYS 12 lone 1 94 - 1 - HB2 ARG 79 - HG2 LYS 12 lone 1 98 - 1 - HG LEU 103 - HG2 LYS 12 lone 1 87 - 1 - Peak 421 from cnoeabs.peaks (1.70, 1.45, 25.00 ppm; 2.57 A): 2 out of 17 assignments used, quality = 0.98: HD3 LYS 12 + HG2 LYS 12 OK 84 100 - 84 - 3.0=65, 3.0/423=8...(25) * HD2 LYS 12 + HG2 LYS 12 OK 84 100 - 84 - 3.0=65, 3.0/423=8...(25) HD3 LYS 13 - HG2 LYS 12 OK 26 100 - 27 - 6.0/425=2, 441=2...(6) HD2 LYS 13 - HG2 LYS 12 OK 26 100 - 27 - 6.0/425=2, 452=2...(6) HD3 LYS 66 - HG2 LYS 12 OK 24 100 - 24 - 2947/1.8=4, 1.8/420=4...(6) HD3 LYS 24 - HG2 LYS 12 OK 22 99 - 22 - 3.0/420=2, 3.0/424=1...(5) HD2 LYS 24 - HG2 LYS 12 OK 22 99 - 22 - 3.0/420=2, 3.0/424=1...(5) HG12 ILE 15 - HG2 LYS 12 OK 18 97 - 18 - 2.1/8468=2, 387/3.7=2...(8) HD3 LYS 90 - HG2 LYS 12 OK 11 99 - 11 - ~3973=1 HB3 LYS 40 - HG2 LYS 12 lone 4 70 - 6 - 3.0/416=1, 4.1/6623=1 HG LEU 70 - HG2 LYS 12 lone 3 100 - 3 - HB2 LEU 2 - HG2 LYS 12 lone 3 100 - 3 - HB3 LEU 70 - HG2 LYS 12 lone 2 77 - 3 - HB3 ARG 91 - HG2 LYS 12 lone 2 65 - 3 - HD3 LYS 47 - HG2 LYS 12 lone 2 61 - 3 - HG2 PRO 86 - HG2 LYS 12 lone 1 96 - 1 - HB3 LYS 53 - HG2 LYS 12 lone 1 77 - 1 - Peak 422 from cnoeabs.peaks (1.70, 1.45, 25.00 ppm; 2.57 A): 2 out of 17 assignments used, quality = 0.98: * HD3 LYS 12 + HG2 LYS 12 OK 84 100 - 84 - 3.0=65, 3.0/423=8...(25) HD2 LYS 12 + HG2 LYS 12 OK 84 100 - 84 - 3.0=65, 3.0/423=8...(25) HD3 LYS 13 - HG2 LYS 12 OK 26 100 - 27 - 6.0/425=2, 441=2...(6) HD2 LYS 13 - HG2 LYS 12 OK 26 100 - 27 - 6.0/425=2, 452=2...(6) HD3 LYS 66 - HG2 LYS 12 OK 24 100 - 24 - 2947/1.8=4, 1.8/420=4...(6) HD3 LYS 24 - HG2 LYS 12 OK 22 99 - 22 - 3.0/420=2, 3.0/424=1...(5) HD2 LYS 24 - HG2 LYS 12 OK 22 99 - 22 - 3.0/420=2, 3.0/424=1...(5) HG12 ILE 15 - HG2 LYS 12 OK 18 97 - 18 - 2.1/8468=2, 387/3.7=2...(8) HD3 LYS 90 - HG2 LYS 12 OK 11 99 - 11 - ~3973=1 HB3 LYS 40 - HG2 LYS 12 lone 4 70 - 6 - 3.0/416=1, 4.1/6623=1 HG LEU 70 - HG2 LYS 12 lone 3 100 - 3 - HB2 LEU 2 - HG2 LYS 12 lone 3 100 - 3 - HB3 LEU 70 - HG2 LYS 12 lone 2 77 - 3 - HB3 ARG 91 - HG2 LYS 12 lone 2 65 - 3 - HD3 LYS 47 - HG2 LYS 12 lone 2 61 - 3 - HG2 PRO 86 - HG2 LYS 12 lone 1 96 - 1 - HB3 LYS 53 - HG2 LYS 12 lone 1 77 - 1 - Peak 423 from cnoeabs.peaks (3.01, 1.45, 25.00 ppm; 3.89 A): 1 out of 5 assignments used, quality = 0.99: * HE2 LYS 12 + HG2 LYS 12 OK 99 100 - 99 - 4.0=95, 464/1.8=17...(57) HB3 ASP 11 - HG2 LYS 12 OK 26 84 - 31 - 4.5/415=16, 434/1.8=4...(7) HB2 SER 9 - HG2 LYS 12 OK 11 73 - 15 - 6150/4.7=3, 434/1.8=2...(6) HE3 LYS 33 - HG2 LYS 12 lone 8 84 - 9 - 434/1.8=1, ~434=1 HE2 LYS 33 - HG2 LYS 12 lone 8 84 - 9 - 434/1.8=1, ~434=1 Peak 424 from cnoeabs.peaks (2.96, 1.45, 25.00 ppm; 4.31 A): 5 out of 12 assignments used, quality = 1.00: * HE3 LYS 12 + HG2 LYS 12 OK 100 100 - 100 - 4.0=100 HE2 LYS 13 + HG2 LYS 12 OK 56 99 - 57 - 7.3/425=4, 2.9/421=4...(30) HE3 LYS 13 + HG2 LYS 12 OK 54 97 - 57 - 7.3/425=4, 2.9/421=4...(30) HE3 LYS 24 + HG2 LYS 12 OK 50 100 - 50 - 3.7/420=4, 468/4.0=3...(23) HE2 LYS 24 + HG2 LYS 12 OK 50 100 - 50 - 3.7/420=4, 468/4.0=3...(23) HE2 LYS 73 - HG2 LYS 12 OK 14 81 - 17 - 4.0/420=2, ~3320=1 HE3 LYS 73 - HG2 LYS 12 OK 10 61 - 16 - 4.0/420=2, ~3320=1 HE3 LYS 47 - HG2 LYS 12 lone 9 94 - 9 - HE2 LYS 47 - HG2 LYS 12 lone 9 94 - 9 - HB3 PHE 45 - HG2 LYS 12 lone 4 100 - 4 - HB2 PHE 45 - HG2 LYS 12 lone 2 65 - 4 - HB2 ASN 51 - HG2 LYS 12 lone 1 61 - 2 - Peak 425 from cnoeabs.peaks (8.07, 1.45, 25.00 ppm; 3.98 A): 4 out of 6 assignments used, quality = 0.92: * H LYS 13 + HG2 LYS 12 OK 74 100 - 74 - 6163/4.7=19, 6165/3.0=14...(24) H LYS 39 + HG2 LYS 12 OK 44 96 - 46 - 6607=6, 6605/3.0=6...(15) H ILE 15 + HG2 LYS 12 OK 37 100 - 37 - 6206/3.7=8, 6160/4.7=5...(12) H GLU 75 + HG2 LYS 12 OK 12 100 - 11 - 390/3.7=2, 436/1.8=2...(4) H GLU 17 - HG2 LYS 12 lone 8 87 - 9 - 391/3.7=1, 6160/4.7=1, 436/1.8=1 H SER 102 - HG2 LYS 12 lone 3 73 - 4 - Peak 426 from cnoeabs.peaks (8.56, 1.59, 25.00 ppm; 3.84 A): 3 out of 12 assignments used, quality = 0.92: * H LYS 12 + HG3 LYS 12 OK 89 100 - 89 - 4.7=56, 415/1.8=28...(18) H LYS 12 + HG2 LYS 24 OK 18 73 - 25 - 6155=6, 2.9/385=3...(11) H LYS 12 + HG3 LYS 73 OK 13 96 - 13 - 6155=3, 2.9/385=2...(4) H GLN 50 - HG3 LYS 12 poor 10 81 - 12 - 415/1.8=4, 380/3.7=3...(4) H ASP 61 - HG3 LYS 12 lone 3 77 - 4 - 415/1.8=1 H GLN 50 - HG3 LYS 73 lone 1 73 - 2 - H ASP 61 - HG3 LYS 73 lone 1 70 - 2 - H VAL 58 - HG3 LYS 12 lone 1 57 - 2 - H GLN 50 - HG2 LYS 24 lone 1 52 - 3 - H VAL 58 - HG3 LYS 73 lone 1 51 - 1 - H ASP 61 - HG2 LYS 24 lone 0 49 - 1 - H VAL 58 - HG2 LYS 24 lone 0 35 - 1 - Peak 427 from cnoeabs.peaks (3.85, 1.59, 25.00 ppm; 4.18 A): 1 out of 27 assignments used, quality = 1.00: * HA LYS 12 + HG3 LYS 12 OK 100 100 - 100 - 3.7=100 HA LYS 12 - HG2 LYS 24 OK 26 73 - 35 - 385=5, 2.9/426=4...(11) HA LYS 40 - HG3 LYS 12 OK 25 92 - 27 - 416/1.8=5, ~6621=3...(10) HA ALA 67 - HG3 LYS 12 OK 23 100 - 24 - 416/1.8=4, ~10784=2...(11) HA ALA 71 - HG3 LYS 73 OK 20 87 - 23 - 9579/4.9=8, 4.9/9581=6...(5) HA LYS 12 - HG3 LYS 73 OK 19 96 - 20 - 2.9/426=3, 385=3...(8) HA LYS 94 - HG3 LYS 12 OK 18 90 - 19 - 4177=2, 416/1.8=2...(10) HB3 SER 49 - HG3 LYS 12 OK 13 100 - 13 - 416/1.8=3, 2272/4.7=2...(4) HA LYS 94 - HG3 LYS 73 OK 13 82 - 16 - 4177=2, 3.6/7535=2...(6) HA ALA 71 - HG3 LYS 12 OK 12 94 - 13 - 416/1.8=2, 4.9/9581=1...(5) HA LEU 38 - HG3 LYS 12 poor 9 61 - 15 - 3.6/436=4, 416/1.8=2, ~10546=1 HA ALA 67 - HG3 LYS 73 lone 7 96 - 7 - 9579/4.9=2 HA LYS 40 - HG3 LYS 73 lone 7 84 - 8 - 9579/4.9=2 HA2 GLY 101 - HG3 LYS 12 lone 6 90 - 7 - 416/1.8=1 HA ALA 71 - HG2 LYS 24 lone 6 64 - 9 - 10829/5.1=2, 10347/2.9=2 HB3 SER 49 - HG3 LYS 73 lone 5 95 - 6 - HA LYS 94 - HG2 LYS 24 lone 5 60 - 8 - 3.0/7518=1 HA ALA 67 - HG2 LYS 24 lone 4 73 - 5 - HA2 GLY 100 - HG3 LYS 12 lone 4 90 - 4 - HB3 SER 49 - HG2 LYS 24 lone 4 73 - 5 - ~9062=1 HA LEU 38 - HG3 LYS 73 lone 2 55 - 4 - HA2 GLY 101 - HG3 LYS 73 lone 2 82 - 3 - HA LYS 40 - HG2 LYS 24 lone 2 62 - 3 - HA2 GLY 101 - HG2 LYS 24 lone 2 60 - 3 - HA2 GLY 100 - HG3 LYS 73 lone 2 82 - 2 - HA2 GLY 100 - HG2 LYS 24 lone 1 60 - 2 - HA LEU 38 - HG2 LYS 24 lone 1 38 - 3 - Peak 428 from cnoeabs.peaks (1.86, 1.59, 25.00 ppm; 3.21 A): 2 out of 21 assignments used, quality = 1.00: * HB2 LYS 12 + HG3 LYS 12 OK 100 100 - 100 - 3.0=100 HB3 LYS 12 + HG3 LYS 12 OK 100 100 - 100 - 3.0=100 HB3 LYS 66 - HG3 LYS 12 OK 33 100 - 34 - 2903=3, 1.8/2891=3...(14) HB3 LYS 39 - HG3 LYS 12 OK 31 100 - 31 - 417/1.8=4, 3.0/430=2...(15) HB2 LYS 12 - HG2 LYS 24 OK 21 73 - 28 - 3.0/420=3, 3.0/385=2...(10) HB3 LYS 12 - HG2 LYS 24 OK 20 73 - 28 - 3.0/420=3, 3.0/385=2...(10) HB3 LYS 68 - HG3 LYS 12 OK 18 97 - 19 - 418/1.8=2, 1.8/3940=1...(5) HB2 LYS 12 - HG3 LYS 73 OK 14 96 - 15 - 3.0/420=2, 4.0/426=1...(5) HB3 LYS 12 - HG3 LYS 73 OK 14 95 - 15 - 3.0/420=2, 4.0/426=1...(5) HB3 LYS 66 - HG3 LYS 73 OK 14 95 - 14 - 2903=2, 1.8/2891=1...(6) HB VAL 5 - HG3 LYS 12 OK 10 100 - 10 - 10193/1.8=2 HB3 LYS 66 - HG2 LYS 24 OK 10 72 - 14 - 2903=1, 1.8/2891=1...(4) HB3 GLU 104 - HG3 LYS 12 lone 4 98 - 4 - HB3 LYS 39 - HG3 LYS 73 lone 2 95 - 2 - HB3 LYS 68 - HG3 LYS 73 lone 2 90 - 2 - HB3 LYS 39 - HG2 LYS 24 lone 1 73 - 2 - HB3 LYS 68 - HG2 LYS 24 lone 1 68 - 2 - HB VAL 5 - HG3 LYS 73 lone 1 95 - 1 - HB3 GLU 104 - HG3 LYS 73 lone 1 92 - 1 - HB VAL 5 - HG2 LYS 24 lone 1 72 - 1 - HB3 GLU 104 - HG2 LYS 24 lone 1 69 - 1 - Peak 429 from cnoeabs.peaks (1.87, 1.59, 25.00 ppm; 3.21 A): 2 out of 24 assignments used, quality = 1.00: * HB3 LYS 12 + HG3 LYS 12 OK 100 100 - 100 - 3.0=100 HB2 LYS 12 + HG3 LYS 12 OK 100 100 - 100 - 3.0=100 HB3 LYS 66 - HG3 LYS 12 OK 33 99 - 34 - 2903=3, 1.8/2891=3...(14) HB3 LYS 39 - HG3 LYS 12 OK 31 99 - 31 - 417/1.8=4, 3.0/430=2...(15) HB3 LYS 12 - HG2 LYS 24 OK 21 73 - 28 - 3.0/420=3, 3.0/385=2...(10) HB2 LYS 12 - HG2 LYS 24 OK 20 73 - 28 - 3.0/420=3, 3.0/385=2...(10) HB3 LYS 68 - HG3 LYS 12 OK 19 99 - 19 - 418/1.8=2, 1.8/3940=1...(5) HB3 LYS 12 - HG3 LYS 73 OK 14 96 - 15 - 3.0/420=2, 4.0/426=1...(5) HB2 LYS 12 - HG3 LYS 73 OK 14 95 - 15 - 3.0/420=2, 4.0/426=1...(5) HB3 LYS 66 - HG3 LYS 73 OK 13 93 - 14 - 2903=2, 1.8/2891=1...(6) HB VAL 5 - HG3 LYS 12 OK 10 99 - 10 - 10193/1.8=2 HB3 LYS 66 - HG2 LYS 24 poor 10 70 - 14 - 2903=1, 1.8/2891=1...(4) HB3 GLU 104 - HG3 LYS 12 lone 5 99 - 4 - HB VAL 54 - HG3 LYS 12 lone 3 61 - 5 - HB3 LYS 39 - HG3 LYS 73 lone 2 94 - 2 - HB3 LYS 68 - HG3 LYS 73 lone 2 93 - 2 - HB3 LYS 68 - HG2 LYS 24 lone 1 70 - 2 - HB3 LYS 39 - HG2 LYS 24 lone 1 71 - 2 - HB VAL 5 - HG3 LYS 73 lone 1 93 - 1 - HB VAL 54 - HG3 LYS 73 lone 1 55 - 2 - HB3 GLU 104 - HG3 LYS 73 lone 1 94 - 1 - HB3 GLU 104 - HG2 LYS 24 lone 1 71 - 1 - HB VAL 5 - HG2 LYS 24 lone 1 70 - 1 - HB VAL 54 - HG2 LYS 24 lone 0 38 - 1 - Peak 430 from cnoeabs.peaks (1.45, 1.59, 25.00 ppm; 2.52 A): 1 out of 48 assignments used, quality = 1.00: * HG2 LYS 12 + HG3 LYS 12 OK 100 100 - 100 - 1.8=100 HG3 LYS 39 - HG3 LYS 12 OK 22 99 - 22 - 1716/3.0=3, 1716/3.0=3...(5) HG2 LYS 12 - HG2 LYS 24 OK 17 73 - 23 - 420=5, 4.0/464=2...(8) HG2 LYS 13 - HG3 LYS 12 OK 16 77 - 21 - 1.8/3265=2, 463/4.0=2...(8) HG LEU 29 - HG3 LYS 12 OK 15 92 - 17 - 2.1/1298=2, 3.0/1274=1...(4) HG2 LYS 12 - HG3 LYS 73 OK 12 96 - 12 - 420=3 HB2 LEU 27 - HG3 LYS 12 OK 12 87 - 13 - 3.1/1224=1, 1.8/1200=1...(4) HG2 LYS 13 - HG3 LYS 73 poor 7 70 - 11 - 1.8/3265=1, 522/1.8=1 HG2 LYS 13 - HG2 LYS 24 poor 7 49 - 14 - 522/1.8=1, 1.8/3265=1 QB ALA 22 - HG3 LYS 12 lone 6 92 - 6 - HB2 LEU 38 - HG3 LYS 12 lone 5 92 - 5 - HG13 ILE 76 - HG3 LYS 12 lone 5 94 - 5 - HG3 ARG 91 - HG3 LYS 73 lone 4 90 - 5 - HG13 ILE 76 - HG3 LYS 73 lone 4 87 - 4 - HB2 LEU 27 - HG3 LYS 73 lone 3 79 - 4 - QB ALA 22 - HG2 LYS 24 lone 3 62 - 5 - 8589/5.1=2 HG13 ILE 52 - HG3 LYS 73 lone 3 79 - 3 - HG13 ILE 76 - HG2 LYS 24 lone 3 64 - 4 - HG3 ARG 91 - HG3 LYS 12 lone 3 97 - 3 - HG LEU 38 - HG3 LYS 12 lone 2 81 - 3 - HG2 LYS 20 - HG3 LYS 73 lone 2 79 - 3 - QB ALA 22 - HG3 LYS 73 lone 2 84 - 2 - HG13 ILE 52 - HG3 LYS 12 lone 2 87 - 2 - HD2 LYS 40 - HG3 LYS 12 lone 2 61 - 3 - HG LEU 29 - HG3 LYS 73 lone 1 84 - 2 - HG3 LYS 39 - HG3 LYS 73 lone 1 94 - 1 - HB2 LEU 27 - HG2 LYS 24 lone 1 57 - 2 - HG2 LYS 20 - HG3 LYS 12 lone 1 87 - 1 - HG LEU 29 - HG2 LYS 24 lone 1 62 - 2 - HG3 ARG 91 - HG2 LYS 24 lone 1 68 - 2 - HD2 LYS 53 - HG3 LYS 12 lone 1 81 - 1 - HD2 LYS 82 - HG3 LYS 12 lone 1 81 - 1 - HD2 LYS 53 - HG2 LYS 24 lone 1 52 - 2 - HB2 LEU 38 - HG3 LYS 73 lone 1 84 - 1 - HG3 LYS 39 - HG2 LYS 24 lone 1 71 - 1 - HG2 LYS 53 - HG3 LYS 12 lone 1 65 - 1 - HG LEU 38 - HG3 LYS 73 lone 1 73 - 1 - HD2 LYS 40 - HG3 LYS 73 lone 1 55 - 1 - HG13 ILE 52 - HG2 LYS 24 lone 0 57 - 1 - HB2 LEU 38 - HG2 LYS 24 lone 0 62 - 1 - HG2 LYS 20 - HG2 LYS 24 lone 0 57 - 1 - HD2 LYS 53 - HG3 LYS 73 lone 0 73 - 0 - HD2 LYS 82 - HG3 LYS 73 lone 0 73 - 0 - HG LEU 38 - HG2 LYS 24 lone 0 52 - 1 - HG2 LYS 53 - HG3 LYS 73 lone 0 58 - 0 - HG2 LYS 53 - HG2 LYS 24 lone 0 41 - 1 - HD2 LYS 40 - HG2 LYS 24 lone 0 38 - 1 - HD2 LYS 82 - HG2 LYS 24 lone 0 52 - 0 - Peak 431 from cnoeabs.peaks (1.59, 1.59, 25.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 12 + HG3 LYS 12 OK 100 100 - 100 HG3 LYS 73 + HG3 LYS 73 OK 94 94 - 100 HG2 LYS 24 + HG2 LYS 24 OK 66 66 - 100 Peak 432 from cnoeabs.peaks (1.70, 1.59, 25.00 ppm; 2.46 A): 4 out of 51 assignments used, quality = 0.99: * HD2 LYS 12 + HG3 LYS 12 OK 78 100 - 78 - 3.0=56, 422/1.8=7...(22) HD3 LYS 12 + HG3 LYS 12 OK 78 100 - 78 - 3.0=56, 421/1.8=7...(22) HD3 LYS 24 + HG2 LYS 24 OK 54 71 - 76 - 3.0=58, 1102/1.8=7...(16) HD2 LYS 24 + HG2 LYS 24 OK 53 70 - 76 - 3.0=58, 1102/1.8=7...(17) HD3 LYS 66 - HG3 LYS 12 OK 26 100 - 27 - 2947=6, 2944/3.0=2...(11) HD2 LYS 13 - HG3 LYS 12 OK 23 100 - 23 - 422/1.8=2, 442=1...(6) HD3 LYS 13 - HG3 LYS 12 OK 23 100 - 23 - 421/1.8=2, 453=1...(6) HD3 LYS 24 - HG3 LYS 12 OK 21 99 - 21 - 422/1.8=2, 3.0/1099=2, 1110=1 HD2 LYS 24 - HG3 LYS 12 OK 21 99 - 21 - 422/1.8=2, 3.0/1099=2, 1110=1 HG12 ILE 15 - HG3 LYS 12 OK 17 97 - 18 - 387/3.7=2, 2.1/10853=2...(8) HD2 LYS 12 - HG2 LYS 24 OK 17 73 - 23 - 3.0/464=2, 1102/1.8=2...(4) HD3 LYS 12 - HG2 LYS 24 OK 17 73 - 23 - 3.0/464=2, 1102/1.8=2...(4) HD3 LYS 24 - HG3 LYS 73 OK 17 94 - 18 - 3.0/1099=1, 1110=1 HD2 LYS 24 - HG3 LYS 73 OK 16 93 - 18 - 3.0/1099=1, 1110=1 HD3 LYS 13 - HG3 LYS 73 OK 14 95 - 14 - HD2 LYS 13 - HG3 LYS 73 OK 14 96 - 14 - HD2 LYS 13 - HG2 LYS 24 OK 13 73 - 18 - 1102/1.8=2, 1121=1 HD3 LYS 13 - HG2 LYS 24 OK 13 73 - 18 - 1102/1.8=2, 1121=1 HD3 LYS 90 - HG3 LYS 12 OK 12 99 - 12 - 1.8/3973=2, 3.0/4006=1...(4) HD3 LYS 90 - HG2 LYS 24 OK 12 71 - 17 - 1.8/3973=2, 2.9/3951=2...(7) HD3 LYS 66 - HG3 LYS 73 OK 11 96 - 11 - 2947=3 HD3 LYS 12 - HG3 LYS 73 OK 10 96 - 11 - 3.0/420=1 HD2 LYS 12 - HG3 LYS 73 OK 10 96 - 11 - 3.0/420=1 HD3 LYS 47 - HG3 LYS 73 poor 7 55 - 13 - 3.0/3265=1 HD3 LYS 66 - HG2 LYS 24 lone 6 73 - 8 - 2947=1 HD3 LYS 47 - HG2 LYS 24 poor 5 38 - 12 - HD3 LYS 90 - HG3 LYS 73 lone 5 94 - 5 - HB3 LEU 70 - HG3 LYS 73 lone 4 70 - 6 - 3.0/9581=2, ~10813=1, ~10815=1 HG LEU 70 - HG3 LYS 73 lone 4 95 - 4 - 3.7/9581=2 HG LEU 70 - HG3 LYS 12 lone 4 100 - 4 - HG2 PRO 86 - HG2 LYS 24 lone 3 66 - 5 - 3831/3.7=1 HB2 LEU 2 - HG2 LYS 24 lone 3 73 - 5 - HB2 LEU 2 - HG3 LYS 73 lone 3 96 - 3 - 59/4.9=1 HB2 LEU 2 - HG3 LYS 12 lone 3 100 - 3 - HB3 LYS 40 - HG3 LYS 12 lone 3 70 - 4 - HB3 LEU 70 - HG3 LYS 12 lone 2 77 - 3 - HG12 ILE 15 - HG3 LYS 73 lone 2 90 - 2 - HG12 ILE 15 - HG2 LYS 24 lone 2 68 - 3 - HB3 ARG 91 - HG3 LYS 73 lone 2 58 - 3 - HG2 PRO 86 - HG3 LYS 12 lone 2 96 - 2 - HB3 ARG 91 - HG3 LYS 12 lone 2 65 - 2 - HD3 LYS 47 - HG3 LYS 12 lone 1 61 - 2 - HG LEU 70 - HG2 LYS 24 lone 1 73 - 1 - HB3 LYS 53 - HG3 LYS 12 lone 1 77 - 1 - HG2 PRO 86 - HG3 LYS 73 lone 1 89 - 1 - HB3 ARG 91 - HG2 LYS 24 lone 1 41 - 2 - HB3 LYS 40 - HG3 LYS 73 lone 1 62 - 1 - HB3 LEU 70 - HG2 LYS 24 lone 1 49 - 1 - HB3 LYS 53 - HG2 LYS 24 lone 0 49 - 1 - HB3 LYS 53 - HG3 LYS 73 lone 0 70 - 0 - HB3 LYS 40 - HG2 LYS 24 lone 0 44 - 1 - Peak 433 from cnoeabs.peaks (1.70, 1.59, 25.00 ppm; 2.46 A): 4 out of 51 assignments used, quality = 0.99: HD2 LYS 12 + HG3 LYS 12 OK 78 100 - 78 - 3.0=56, 422/1.8=7...(22) * HD3 LYS 12 + HG3 LYS 12 OK 78 100 - 78 - 3.0=56, 421/1.8=7...(22) HD3 LYS 24 + HG2 LYS 24 OK 54 71 - 76 - 3.0=58, 1102/1.8=7...(16) HD2 LYS 24 + HG2 LYS 24 OK 53 70 - 76 - 3.0=58, 1102/1.8=7...(17) HD3 LYS 66 - HG3 LYS 12 OK 26 100 - 27 - 2947=6, 2944/3.0=2...(11) HD2 LYS 13 - HG3 LYS 12 OK 23 100 - 23 - 422/1.8=2, 442=1...(6) HD3 LYS 13 - HG3 LYS 12 OK 23 100 - 23 - 421/1.8=2, 453=1...(6) HD3 LYS 24 - HG3 LYS 12 OK 21 99 - 21 - 422/1.8=2, 3.0/1099=2, 1110=1 HD2 LYS 24 - HG3 LYS 12 OK 21 99 - 21 - 422/1.8=2, 3.0/1099=2, 1110=1 HG12 ILE 15 - HG3 LYS 12 OK 17 97 - 18 - 387/3.7=2, 2.1/10853=2...(8) HD2 LYS 12 - HG2 LYS 24 OK 17 73 - 23 - 3.0/464=2, 1102/1.8=2...(4) HD3 LYS 12 - HG2 LYS 24 OK 17 73 - 23 - 3.0/464=2, 1102/1.8=2...(4) HD3 LYS 24 - HG3 LYS 73 OK 17 94 - 18 - 3.0/1099=1, 1110=1 HD2 LYS 24 - HG3 LYS 73 OK 16 93 - 18 - 3.0/1099=1, 1110=1 HD3 LYS 13 - HG3 LYS 73 OK 14 95 - 14 - HD2 LYS 13 - HG3 LYS 73 OK 14 96 - 14 - HD2 LYS 13 - HG2 LYS 24 OK 13 73 - 18 - 1102/1.8=2, 1121=1 HD3 LYS 13 - HG2 LYS 24 OK 13 73 - 18 - 1102/1.8=2, 1121=1 HD3 LYS 90 - HG3 LYS 12 OK 12 99 - 12 - 1.8/3973=2, 3.0/4006=1...(4) HD3 LYS 90 - HG2 LYS 24 OK 12 71 - 17 - 1.8/3973=2, 2.9/3951=2...(7) HD3 LYS 66 - HG3 LYS 73 OK 11 96 - 11 - 2947=3 HD3 LYS 12 - HG3 LYS 73 OK 10 96 - 11 - 3.0/420=1 HD2 LYS 12 - HG3 LYS 73 OK 10 96 - 11 - 3.0/420=1 HD3 LYS 47 - HG3 LYS 73 poor 7 55 - 13 - 3.0/3265=1 HD3 LYS 66 - HG2 LYS 24 lone 6 73 - 8 - 2947=1 HD3 LYS 47 - HG2 LYS 24 poor 5 38 - 12 - HD3 LYS 90 - HG3 LYS 73 lone 5 94 - 5 - HB3 LEU 70 - HG3 LYS 73 lone 4 70 - 6 - 3.0/9581=2, ~10813=1, ~10815=1 HG LEU 70 - HG3 LYS 73 lone 4 95 - 4 - 3.7/9581=2 HG LEU 70 - HG3 LYS 12 lone 4 100 - 4 - HG2 PRO 86 - HG2 LYS 24 lone 3 66 - 5 - 3831/3.7=1 HB2 LEU 2 - HG2 LYS 24 lone 3 73 - 5 - HB2 LEU 2 - HG3 LYS 73 lone 3 96 - 3 - 59/4.9=1 HB2 LEU 2 - HG3 LYS 12 lone 3 100 - 3 - HB3 LYS 40 - HG3 LYS 12 lone 3 70 - 4 - HB3 LEU 70 - HG3 LYS 12 lone 2 77 - 3 - HG12 ILE 15 - HG3 LYS 73 lone 2 90 - 2 - HG12 ILE 15 - HG2 LYS 24 lone 2 68 - 3 - HB3 ARG 91 - HG3 LYS 73 lone 2 58 - 3 - HG2 PRO 86 - HG3 LYS 12 lone 2 96 - 2 - HB3 ARG 91 - HG3 LYS 12 lone 2 65 - 2 - HD3 LYS 47 - HG3 LYS 12 lone 1 61 - 2 - HG LEU 70 - HG2 LYS 24 lone 1 73 - 1 - HB3 LYS 53 - HG3 LYS 12 lone 1 77 - 1 - HG2 PRO 86 - HG3 LYS 73 lone 1 89 - 1 - HB3 ARG 91 - HG2 LYS 24 lone 1 41 - 2 - HB3 LYS 40 - HG3 LYS 73 lone 1 62 - 1 - HB3 LEU 70 - HG2 LYS 24 lone 1 49 - 1 - HB3 LYS 53 - HG2 LYS 24 lone 0 49 - 1 - HB3 LYS 53 - HG3 LYS 73 lone 0 70 - 0 - HB3 LYS 40 - HG2 LYS 24 lone 0 44 - 1 - Peak 434 from cnoeabs.peaks (3.01, 1.59, 25.00 ppm; 3.97 A): 1 out of 15 assignments used, quality = 1.00: * HE2 LYS 12 + HG3 LYS 12 OK 100 100 - 100 - 4.0=100 HE2 LYS 12 - HG2 LYS 24 OK 36 73 - 50 - 464=9, 4.0/420=3...(19) HB3 ASP 11 - HG3 LYS 12 OK 25 84 - 30 - 4.5/426=13, 423/1.8=6...(7) HE2 LYS 12 - HG3 LYS 73 OK 21 96 - 22 - 464=4, 4.0/420=2 HB2 SER 9 - HG3 LYS 12 OK 11 73 - 15 - 423/1.8=3, 6150/4.7=3...(6) HE2 LYS 33 - HG3 LYS 12 poor 9 84 - 11 - 423/1.8=2, ~423=1, 388/3.7=1 HE3 LYS 33 - HG3 LYS 12 poor 9 84 - 11 - 423/1.8=2, ~423=1, 388/3.7=1 HE2 LYS 33 - HG2 LYS 24 poor 7 55 - 12 - 3.9/1099=1, 1506/1.8=1...(6) HE3 LYS 33 - HG2 LYS 24 poor 7 55 - 12 - 3.9/1099=1, 1506/1.8=1...(6) HB3 ASP 11 - HG2 LYS 24 lone 3 55 - 5 - 4.5/426=3 HB3 ASP 11 - HG3 LYS 73 lone 3 76 - 3 - 4.5/426=2 HB2 SER 9 - HG2 LYS 24 lone 2 46 - 4 - HE3 LYS 33 - HG3 LYS 73 lone 1 76 - 2 - HE2 LYS 33 - HG3 LYS 73 lone 1 76 - 2 - HB2 SER 9 - HG3 LYS 73 lone 1 66 - 2 - Peak 435 from cnoeabs.peaks (2.96, 1.59, 25.00 ppm; 3.41 A): 5 out of 36 assignments used, quality = 1.00: * HE3 LYS 12 + HG3 LYS 12 OK 89 100 - 89 - 4.0=64, 1.8/464=13...(24) HE2 LYS 24 + HG2 LYS 24 OK 66 72 - 92 - 3.7=77, 1103/1.8=8...(40) HE3 LYS 24 + HG2 LYS 24 OK 66 72 - 92 - 3.7=77, 1103/1.8=8...(40) HE2 LYS 73 + HG3 LYS 73 OK 66 73 - 90 - 4.0=62, 1.8/3320=14...(41) HE3 LYS 73 + HG3 LYS 73 OK 49 55 - 90 - 4.0=62, 1.8/3320=13...(43) HE2 LYS 13 - HG3 LYS 12 OK 38 99 - 39 - 424/1.8=4, ~424=3...(20) HE3 LYS 13 - HG3 LYS 12 OK 37 97 - 39 - 424/1.8=4, ~424=3...(20) HE2 LYS 24 - HG3 LYS 12 OK 34 100 - 35 - 424/1.8=3, ~424=2...(15) HE3 LYS 24 - HG3 LYS 12 OK 34 100 - 35 - 424/1.8=3, ~424=2...(15) HE2 LYS 13 - HG3 LYS 73 OK 26 93 - 28 - 1.8/3309=2, 475=1...(4) HE3 LYS 24 - HG3 LYS 73 OK 25 95 - 27 - 3.7/1099=2, 475=1, 1.8/475=1 HE2 LYS 24 - HG3 LYS 73 OK 25 95 - 27 - 3.7/1099=2, 475=1, 1.8/475=1 HE3 LYS 13 - HG3 LYS 73 OK 25 90 - 27 - 1.8/3309=2, 3309=2, 3.8/3265=1 HE2 LYS 13 - HG2 LYS 24 OK 23 70 - 33 - 1103/1.8=3, 1143=2...(6) HE3 LYS 13 - HG2 LYS 24 OK 22 68 - 33 - 1104/1.8=3, 1132=2...(6) HE3 LYS 12 - HG2 LYS 24 OK 21 73 - 29 - 1.8/464=6, 1104/1.8=2...(10) HE2 LYS 47 - HG3 LYS 73 OK 19 87 - 23 - 3.8/3265=2, 3.0/3277=2...(7) HE3 LYS 47 - HG3 LYS 73 OK 19 87 - 23 - 3.8/3265=2, 3.0/3277=2...(7) HE2 LYS 47 - HG2 LYS 24 OK 15 64 - 24 - 12306/3.7=2, 1104/1.8=2...(7) HE3 LYS 47 - HG2 LYS 24 OK 15 64 - 24 - 12306/3.7=2, 1104/1.8=2...(7) HE2 LYS 73 - HG2 LYS 24 OK 15 52 - 30 - 1.8/3320=3, 1103/1.8=2...(11) HE3 LYS 12 - HG3 LYS 73 OK 12 96 - 12 - 1.8/464=3, 4.0/420=1 HE3 LYS 73 - HG2 LYS 24 OK 11 38 - 30 - 1.8/3320=3, 3.0/3298=2...(10) HE2 LYS 73 - HG3 LYS 12 poor 9 81 - 11 - 1.8/3320=1, 3.0/3298=1 HE3 LYS 73 - HG3 LYS 12 poor 7 61 - 11 - 1.8/3320=1, 3.0/3298=1 HE2 LYS 47 - HG3 LYS 12 lone 7 94 - 7 - HE3 LYS 47 - HG3 LYS 12 lone 7 94 - 7 - HB2 ASN 51 - HG3 LYS 73 lone 3 55 - 5 - ~10634=1 HB3 PHE 45 - HG3 LYS 12 lone 2 100 - 2 - HB2 PHE 45 - HG3 LYS 12 lone 1 65 - 2 - HB3 PHE 45 - HG2 LYS 24 lone 1 73 - 1 - HB3 PHE 45 - HG3 LYS 73 lone 1 95 - 1 - HB2 ASN 51 - HG3 LYS 12 lone 1 61 - 1 - HB2 ASN 51 - HG2 LYS 24 lone 1 38 - 2 - HB2 PHE 45 - HG2 LYS 24 lone 1 41 - 1 - HB2 PHE 45 - HG3 LYS 73 lone 0 58 - 1 - Peak 436 from cnoeabs.peaks (8.07, 1.59, 25.00 ppm; 4.15 A): 4 out of 18 assignments used, quality = 0.94: * H LYS 13 + HG3 LYS 12 OK 76 100 - 76 - 6163/4.7=21, 425/1.8=17...(18) H ILE 15 + HG3 LYS 12 OK 40 100 - 40 - 6206/3.7=9, 425/1.8=8...(11) H LYS 39 + HG3 LYS 12 OK 39 96 - 41 - 425/1.8=10, 6605/3.0=6...(12) H LYS 13 + HG3 LYS 73 OK 27 96 - 28 - 6177/1.8=4, 6168=4...(11) H GLU 75 - HG3 LYS 73 OK 24 96 - 26 - 4.6/3281=7, 9618/4.1=5...(7) H LYS 13 - HG2 LYS 24 OK 23 73 - 31 - 6168=4, 6177/1.8=4...(13) H GLU 75 - HG3 LYS 12 OK 15 100 - 14 - 425/1.8=3, 4.6/3281=2...(4) H GLU 75 - HG2 LYS 24 poor 9 73 - 13 - 4.6/7220=3, 7236/2.9=2...(5) H GLU 17 - HG3 LYS 73 poor 9 79 - 12 - ~9582=2, 4.0/12027=1...(5) H GLU 17 - HG3 LYS 12 poor 9 87 - 10 - 425/1.8=2, 391/3.7=2, 6160/4.7=2 H ILE 15 - HG3 LYS 73 lone 7 96 - 8 - 6208/4.1=2 H LYS 39 - HG3 LYS 73 lone 7 89 - 8 - 6613/4.9=2 H ILE 15 - HG2 LYS 24 lone 6 73 - 8 - 6211/1.8=1 H SER 102 - HG3 LYS 12 lone 4 73 - 5 - H LYS 39 - HG2 LYS 24 lone 2 66 - 4 - H GLU 17 - HG2 LYS 24 lone 2 57 - 4 - H SER 102 - HG2 LYS 24 lone 1 46 - 2 - H SER 102 - HG3 LYS 73 lone 1 66 - 2 - Peak 437 from cnoeabs.peaks (8.56, 1.70, 29.09 ppm; 5.49 A): 4 out of 32 assignments used, quality = 1.00: H LYS 12 + HD3 LYS 12 OK 98 100 - 98 - 6.2=70, 415/3.0=38...(22) * H LYS 12 + HD2 LYS 12 OK 98 100 - 98 - 6.2=70, 415/3.0=38...(22) H LYS 12 + HD2 LYS 13 OK 59 96 - 61 - 6163/6.0=25, 6154/3.0=6...(20) H LYS 12 + HD3 LYS 13 OK 58 95 - 61 - 6163/6.0=25, 6154/3.0=6...(20) H LYS 12 - HG12 ILE 15 OK 41 50 - 83 - 8438/2.1=30, ~392=20...(18) H LYS 12 - HD3 LYS 24 OK 35 86 - 42 - 426/3.0=6, 6159/3.0=4...(19) H LYS 12 - HD2 LYS 24 OK 34 81 - 42 - 426/3.0=6, 6159/3.0=4...(19) H GLN 50 - HD3 LYS 12 OK 16 81 - 19 - 415/3.0=5, 380/5.2=4...(5) H GLN 50 - HD2 LYS 12 OK 16 81 - 19 - 415/3.0=5, 380/5.2=4...(5) H LYS 12 - HD3 LYS 90 OK 12 61 - 20 - ~392=5, 6155/2.9=2...(8) H ASP 61 - HD3 LYS 12 lone 5 77 - 6 - 415/3.0=1, 426/3.0=1 H ASP 61 - HD2 LYS 12 lone 5 77 - 6 - 415/3.0=1, 426/3.0=1 H GLN 50 - HG12 ILE 15 poor 5 34 - 14 - 8438/2.1=9, 4.3/9069=1 H GLN 50 - HD2 LYS 13 lone 4 73 - 6 - 6163/6.0=2 H GLN 50 - HD3 LYS 13 lone 4 72 - 6 - 6163/6.0=2 H GLN 50 - HD3 LYS 24 lone 3 63 - 5 - H VAL 58 - HD3 LYS 12 lone 3 57 - 5 - H VAL 58 - HD2 LYS 12 lone 3 57 - 5 - H GLN 50 - HD2 LYS 24 lone 3 59 - 5 - H VAL 58 - HD2 LYS 13 lone 2 51 - 4 - H VAL 58 - HD3 LYS 13 lone 2 50 - 4 - H ASP 61 - HD2 LYS 13 lone 2 70 - 3 - H ASP 61 - HD3 LYS 13 lone 2 68 - 3 - H VAL 58 - HG12 ILE 15 lone 1 22 - 6 - 8438/2.1=2, ~10703=1 H GLN 50 - HD3 LYS 90 lone 1 42 - 3 - H VAL 58 - HD3 LYS 90 lone 1 28 - 5 - 6947/3.6=1 H ASP 61 - HD3 LYS 24 lone 1 60 - 2 - H ASP 61 - HD2 LYS 24 lone 1 56 - 2 - H VAL 58 - HD3 LYS 24 lone 1 43 - 3 - H VAL 58 - HD2 LYS 24 lone 1 40 - 3 - H ASP 61 - HG12 ILE 15 lone 1 32 - 3 - H ASP 61 - HD3 LYS 90 lone 1 40 - 2 - Peak 438 from cnoeabs.peaks (3.85, 1.70, 29.09 ppm; 4.06 A): 2 out of 72 assignments used, quality = 1.00: HA LYS 12 + HD3 LYS 12 OK 94 100 - 94 - 5.2=49, 384/3.0=15...(38) * HA LYS 12 + HD2 LYS 12 OK 94 100 - 94 - 5.2=49, 384/3.0=15...(38) HA LYS 12 - HD2 LYS 13 OK 45 96 - 47 - 391/6.0=7, 384/3.0=4...(19) HA LYS 12 - HD3 LYS 13 OK 44 95 - 47 - 391/6.0=7, 384/3.0=4...(19) HA LYS 12 - HG12 ILE 15 OK 36 50 - 73 - 392/2.9=25, 8381/2.1=16...(16) HA LYS 12 - HD3 LYS 24 OK 32 86 - 38 - 385/3.0=3, 387=3...(16) HA LYS 12 - HD2 LYS 24 OK 31 81 - 38 - 385/3.0=3, 387=3...(16) HA LYS 40 - HD3 LYS 12 OK 20 92 - 22 - 416/3.0=4, 460/3.0=2...(9) HA LYS 40 - HD2 LYS 12 OK 20 92 - 22 - 416/3.0=4, 460/3.0=2...(9) HA ALA 67 - HD3 LYS 12 OK 20 100 - 20 - 416/3.0=3, 3.0/7091=2...(10) HA ALA 67 - HD2 LYS 12 OK 20 100 - 20 - 416/3.0=3, 3.0/7091=2...(10) HB3 SER 49 - HG12 ILE 15 OK 15 49 - 31 - ~8447=6, 9072/2.1=5...(9) HA2 GLY 101 - HG12 ILE 15 OK 13 39 - 33 - 644/2.9=5, 8446/2.1=5...(10) HA ALA 71 - HG12 ILE 15 OK 12 42 - 28 - 10121/3.2=5, 644/2.9=4...(12) HA ALA 71 - HD2 LYS 12 OK 11 94 - 12 - 416/3.0=1, 460/3.0=1...(4) HA ALA 71 - HD3 LYS 12 OK 11 94 - 12 - 416/3.0=1, 460/3.0=1...(4) HA LYS 12 - HD3 LYS 90 OK 11 61 - 18 - 392/1.8=6, 385/2.9=2...(5) HA LYS 94 - HD3 LYS 12 OK 10 90 - 12 - 416/3.0=2, 427/3.0=2, 460/3.0=1 HA LYS 94 - HD2 LYS 12 OK 10 90 - 12 - 416/3.0=2, 427/3.0=2, 460/3.0=1 HB3 SER 49 - HD2 LYS 12 OK 10 100 - 10 - 416/3.0=2, 460/3.0=1...(4) HB3 SER 49 - HD3 LYS 12 OK 10 100 - 10 - 416/3.0=2, 460/3.0=1...(4) HA LYS 40 - HD2 LYS 13 lone 8 85 - 10 - 6164/6.0=1, 1780/3.6=1...(4) HA LYS 40 - HD3 LYS 13 lone 8 83 - 10 - 6164/6.0=1, 1780/3.6=1...(4) HA LYS 40 - HG12 ILE 15 poor 8 41 - 19 - 8446/2.1=3, 644/2.9=2...(5) HA LYS 94 - HD2 LYS 13 lone 7 83 - 8 - 4172/3.6=1, 4172/3.6=1 HA LYS 94 - HD3 LYS 13 lone 7 81 - 8 - 4172/3.6=1, 4172/3.6=1 HA ALA 67 - HG12 ILE 15 poor 6 49 - 12 - 644/2.9=2, 10121/3.2=2...(5) HA LEU 38 - HD2 LYS 12 lone 6 61 - 9 - 416/3.0=2 HA LEU 38 - HD3 LYS 12 lone 6 61 - 9 - 416/3.0=2 HA ALA 67 - HD2 LYS 13 lone 6 96 - 6 - HA ALA 71 - HD3 LYS 24 lone 6 76 - 7 - 10347/3.6=1, 10347/3.6=1 HA ALA 67 - HD3 LYS 13 lone 6 94 - 6 - HA ALA 71 - HD2 LYS 24 lone 6 72 - 8 - 10347/3.6=1, 10347/3.6=1 HA LYS 94 - HG12 ILE 15 poor 5 39 - 13 - 8446/2.1=2, 644/2.9=2...(5) HA LYS 94 - HD3 LYS 90 poor 5 49 - 11 - ~10310=2, 8541/10444=1...(4) HA2 GLY 101 - HD2 LYS 12 lone 5 90 - 5 - HA2 GLY 101 - HD3 LYS 12 lone 5 90 - 5 - HA ALA 71 - HD2 LYS 13 lone 4 87 - 5 - HA2 GLY 100 - HG12 ILE 15 poor 4 39 - 11 - 8446/2.1=2, 644/2.9=2...(6) HA ALA 71 - HD3 LYS 13 lone 4 85 - 5 - HA ALA 67 - HD3 LYS 24 lone 4 86 - 5 - HA ALA 67 - HD2 LYS 24 lone 4 81 - 5 - HB3 SER 49 - HD2 LYS 13 lone 3 96 - 4 - HA LYS 94 - HD3 LYS 24 lone 3 71 - 5 - HB3 SER 49 - HD3 LYS 13 lone 3 94 - 3 - HA2 GLY 100 - HD2 LYS 12 lone 3 90 - 4 - HA2 GLY 100 - HD3 LYS 12 lone 3 90 - 4 - HA2 GLY 101 - HD2 LYS 13 lone 3 83 - 4 - 8392/5.5=1, 6164/6.0=1 HA LYS 94 - HD2 LYS 24 lone 3 67 - 5 - HA2 GLY 101 - HD3 LYS 13 lone 3 81 - 4 - 8392/5.5=1, 6164/6.0=1 HA LEU 38 - HD2 LYS 13 lone 3 55 - 6 - 8392/5.5=2, 6164/6.0=1 HA LEU 38 - HD3 LYS 13 lone 3 54 - 6 - 8392/5.5=2, 6164/6.0=1 HA LEU 38 - HG12 ILE 15 poor 3 24 - 12 - 8446/2.1=2, 6206/4.6=2...(4) HA2 GLY 101 - HD3 LYS 90 lone 3 49 - 6 - 3.6/3979=1 HA LYS 40 - HD3 LYS 24 lone 3 74 - 3 - HA ALA 67 - HD3 LYS 90 lone 2 61 - 4 - HA LYS 40 - HD2 LYS 24 lone 2 69 - 3 - HB3 SER 49 - HD3 LYS 24 lone 2 85 - 3 - HB3 SER 49 - HD2 LYS 24 lone 2 81 - 3 - HA2 GLY 100 - HD2 LYS 13 lone 2 83 - 3 - HA2 GLY 100 - HD3 LYS 13 lone 2 81 - 3 - HA LYS 40 - HD3 LYS 90 lone 2 51 - 4 - HA ALA 71 - HD3 LYS 90 lone 2 52 - 4 - HA2 GLY 100 - HD3 LYS 90 lone 2 49 - 4 - HB3 SER 49 - HD3 LYS 90 lone 2 60 - 3 - HA2 GLY 101 - HD3 LYS 24 lone 1 71 - 2 - HA2 GLY 101 - HD2 LYS 24 lone 1 67 - 2 - HA2 GLY 100 - HD3 LYS 24 lone 1 71 - 2 - HA2 GLY 100 - HD2 LYS 24 lone 1 67 - 2 - HA LEU 38 - HD3 LYS 24 lone 1 46 - 2 - HA LEU 38 - HD2 LYS 24 lone 1 43 - 2 - HA LEU 38 - HD3 LYS 90 lone 1 30 - 2 - Peak 439 from cnoeabs.peaks (1.86, 1.70, 29.09 ppm; 3.01 A): 4 out of 56 assignments used, quality = 1.00: * HB2 LYS 12 + HD2 LYS 12 OK 88 100 - 88 - 3.6=59, 417/3.0=9...(49) HB2 LYS 12 + HD3 LYS 12 OK 88 100 - 88 - 3.6=59, 417/3.0=9...(49) HB3 LYS 12 + HD2 LYS 12 OK 88 100 - 88 - 3.6=59, 417/3.0=9...(49) HB3 LYS 12 + HD3 LYS 12 OK 88 100 - 88 - 3.6=59, 417/3.0=9...(49) HB2 LYS 12 - HD2 LYS 13 OK 32 96 - 33 - 6165/6.0=2, 3.0/422=2...(9) HB3 LYS 12 - HD2 LYS 13 OK 31 96 - 33 - 6165/6.0=2, 3.0/422=2...(9) HB2 LYS 12 - HD3 LYS 13 OK 31 95 - 33 - 6165/6.0=2, 3.0/421=2...(9) HB3 LYS 12 - HD3 LYS 13 OK 31 94 - 33 - 6165/6.0=2, 3.0/422=2...(9) HB3 LYS 66 - HD3 LYS 12 OK 30 100 - 30 - 2904=3, 1.8/2892=3...(13) HB3 LYS 66 - HD2 LYS 12 OK 30 100 - 30 - 2904=3, 1.8/2892=3...(13) HB2 LYS 12 - HD3 LYS 24 OK 26 86 - 30 - 3.0/422=2, 399=1...(6) HB3 LYS 12 - HD3 LYS 24 OK 25 85 - 30 - 3.0/422=2, 411=1...(6) HB2 LYS 12 - HD2 LYS 24 OK 24 81 - 30 - 3.0/422=2, 399=1...(6) HB3 LYS 12 - HD2 LYS 24 OK 24 81 - 30 - 3.0/422=2, 410=1...(6) HB2 LYS 12 - HG12 ILE 15 OK 19 50 - 39 - 8466/2.1=4, ~392=4...(19) HB3 LYS 12 - HG12 ILE 15 OK 19 49 - 39 - 8466/2.1=5, ~392=4...(19) HB3 LYS 39 - HD2 LYS 12 OK 16 100 - 16 - 417/3.0=3, 428/3.0=2...(4) HB3 LYS 39 - HD3 LYS 12 OK 16 100 - 16 - 417/3.0=3, 428/3.0=2...(4) HB3 LYS 68 - HD3 LYS 90 OK 13 56 - 24 - ~3971=3, ~3941=3...(12) HB3 LYS 66 - HD3 LYS 24 OK 12 85 - 14 - 2904=2, 1.8/2892=1, 2904/1.8=1 HB3 LYS 66 - HD2 LYS 13 OK 12 95 - 12 - 2904=1, 2904/1.8=1, 1.8/2892=1 HB3 LYS 66 - HD3 LYS 13 OK 11 94 - 12 - 2904=1, 2904/1.8=1, 1.8/2892=1 HB3 LYS 66 - HD2 LYS 24 OK 11 80 - 14 - 2904=2, 1.8/2892=1, 2904/1.8=1 HB3 LYS 68 - HD2 LYS 12 lone 9 97 - 9 - 418/3.0=1, 429/3.0=1 HB3 LYS 68 - HD3 LYS 12 lone 9 97 - 9 - 418/3.0=1, 429/3.0=1 HB VAL 5 - HD2 LYS 13 lone 7 95 - 8 - ~12302=5 HB VAL 5 - HD3 LYS 13 lone 7 94 - 8 - ~12302=5 HB2 LYS 12 - HD3 LYS 90 poor 7 61 - 11 - ~392=1, ~3973=1 HB3 LYS 12 - HD3 LYS 90 poor 7 60 - 11 - ~392=1, ~3973=1 HB3 LYS 66 - HG12 ILE 15 lone 4 49 - 8 - HB3 LYS 39 - HD2 LYS 13 lone 4 96 - 4 - HB3 LYS 39 - HD3 LYS 13 lone 4 94 - 4 - HB3 GLU 104 - HD3 LYS 90 lone 4 57 - 7 - 4530/3.6=1 HB VAL 5 - HD2 LYS 12 lone 4 100 - 4 - 10193/3.0=1 HB VAL 5 - HD3 LYS 12 lone 4 100 - 4 - 10193/3.0=1 HB3 LYS 39 - HG12 ILE 15 lone 3 49 - 6 - HB3 LYS 39 - HD3 LYS 90 lone 3 60 - 4 - HB3 LYS 66 - HD3 LYS 90 lone 2 60 - 4 - HB3 GLU 104 - HD3 LYS 12 lone 2 98 - 2 - HB3 GLU 104 - HD2 LYS 12 lone 2 98 - 2 - HB3 LYS 68 - HG12 ILE 15 lone 2 45 - 4 - HB3 LYS 68 - HD2 LYS 13 lone 1 91 - 2 - HB3 LYS 68 - HD3 LYS 13 lone 1 89 - 2 - HB3 LYS 68 - HD3 LYS 24 lone 1 80 - 2 - HB3 LYS 68 - HD2 LYS 24 lone 1 76 - 2 - HB3 LYS 39 - HD3 LYS 24 lone 1 85 - 1 - HB3 LYS 39 - HD2 LYS 24 lone 1 81 - 1 - HB3 GLU 104 - HD3 LYS 24 lone 1 81 - 1 - HB VAL 5 - HD3 LYS 24 lone 1 85 - 1 - HB3 GLU 104 - HD2 LYS 24 lone 1 77 - 1 - HB3 GLU 104 - HD2 LYS 13 lone 0 92 - 1 - HB VAL 5 - HG12 ILE 15 lone 1 49 - 1 - HB VAL 5 - HD2 LYS 24 lone 0 80 - 1 - HB3 GLU 104 - HD3 LYS 13 lone 0 91 - 1 - HB3 GLU 104 - HG12 ILE 15 lone 0 46 - 1 - HB VAL 5 - HD3 LYS 90 lone 0 60 - 0 - Peak 440 from cnoeabs.peaks (1.87, 1.70, 29.09 ppm; 3.01 A): 4 out of 64 assignments used, quality = 1.00: * HB3 LYS 12 + HD2 LYS 12 OK 88 100 - 88 - 3.6=59, 417/3.0=9...(49) HB3 LYS 12 + HD3 LYS 12 OK 88 100 - 88 - 3.6=59, 417/3.0=9...(49) HB2 LYS 12 + HD2 LYS 12 OK 88 100 - 88 - 3.6=59, 417/3.0=9...(49) HB2 LYS 12 + HD3 LYS 12 OK 88 100 - 88 - 3.6=59, 417/3.0=9...(49) HB3 LYS 12 - HD2 LYS 13 OK 32 96 - 33 - 6165/6.0=2, 3.0/422=2...(9) HB2 LYS 12 - HD2 LYS 13 OK 31 96 - 33 - 6165/6.0=2, 3.0/422=2...(9) HB3 LYS 12 - HD3 LYS 13 OK 31 95 - 33 - 6165/6.0=2, 3.0/422=2...(9) HB2 LYS 12 - HD3 LYS 13 OK 31 94 - 33 - 6165/6.0=2, 3.0/422=2...(9) HB3 LYS 66 - HD3 LYS 12 OK 29 99 - 30 - 2904=3, 1.8/2892=3...(13) HB3 LYS 66 - HD2 LYS 12 OK 29 99 - 30 - 2904=3, 1.8/2892=3...(13) HB3 LYS 12 - HD3 LYS 24 OK 26 86 - 30 - 3.0/422=2, 411=1...(6) HB2 LYS 12 - HD3 LYS 24 OK 26 85 - 30 - 3.0/422=2, 399=1...(6) HB3 LYS 12 - HD2 LYS 24 OK 24 81 - 30 - 3.0/422=2, 410=1...(6) HB2 LYS 12 - HD2 LYS 24 OK 24 81 - 30 - 3.0/422=2, 399=1...(6) HB3 LYS 12 - HG12 ILE 15 OK 19 50 - 39 - 8466/2.1=5, ~392=4...(19) HB2 LYS 12 - HG12 ILE 15 OK 19 49 - 39 - 8466/2.1=5, ~392=4...(19) HB3 LYS 39 - HD2 LYS 12 OK 16 99 - 16 - 417/3.0=3, 428/3.0=2...(4) HB3 LYS 39 - HD3 LYS 12 OK 16 99 - 16 - 417/3.0=3, 428/3.0=2...(4) HB3 LYS 68 - HD3 LYS 90 OK 14 58 - 24 - ~3971=3, ~3941=3...(12) HB3 LYS 66 - HD3 LYS 24 OK 12 83 - 14 - 2904=2, 1.8/2892=1, 2904/1.8=1 HB3 LYS 66 - HD2 LYS 13 OK 11 94 - 12 - 2904=1, 2904/1.8=1, 1.8/2892=1 HB3 LYS 66 - HD3 LYS 13 OK 11 92 - 12 - 2904=1, 2904/1.8=1, 1.8/2892=1 HB3 LYS 66 - HD2 LYS 24 OK 11 78 - 14 - 2904=2, 1.8/2892=1, 2904/1.8=1 HB3 LYS 68 - HD3 LYS 12 lone 9 99 - 9 - 418/3.0=1, 429/3.0=1 HB3 LYS 68 - HD2 LYS 12 lone 9 99 - 9 - 418/3.0=1, 429/3.0=1 HB VAL 5 - HD2 LYS 13 lone 7 94 - 8 - ~12302=5 HB VAL 5 - HD3 LYS 13 lone 7 92 - 8 - ~12302=5 HB3 LYS 12 - HD3 LYS 90 poor 7 61 - 11 - ~392=1, ~3973=1 HB2 LYS 12 - HD3 LYS 90 poor 7 60 - 11 - ~392=1, ~3973=1 HB3 LYS 66 - HG12 ILE 15 lone 4 47 - 9 - HB3 GLU 104 - HD3 LYS 90 lone 4 59 - 7 - 4530/3.6=1 HB3 LYS 39 - HD2 LYS 13 lone 4 95 - 4 - HB3 LYS 39 - HD3 LYS 13 lone 4 93 - 4 - HB VAL 5 - HD3 LYS 12 lone 4 99 - 4 - 10193/3.0=1 HB VAL 5 - HD2 LYS 12 lone 4 99 - 4 - 10193/3.0=1 HB VAL 54 - HD2 LYS 12 lone 4 61 - 6 - HB VAL 54 - HD3 LYS 12 lone 4 61 - 6 - HB3 LYS 39 - HG12 ILE 15 lone 3 48 - 6 - HB3 LYS 39 - HD3 LYS 90 lone 3 59 - 4 - HB3 LYS 66 - HD3 LYS 90 lone 2 58 - 4 - HB VAL 54 - HD2 LYS 13 lone 2 55 - 4 - HB VAL 54 - HD3 LYS 13 lone 2 54 - 4 - HB3 GLU 104 - HD3 LYS 12 lone 2 99 - 2 - HB3 GLU 104 - HD2 LYS 12 lone 2 99 - 2 - HB3 LYS 68 - HG12 ILE 15 lone 2 47 - 4 - HB3 LYS 68 - HD2 LYS 13 lone 1 94 - 2 - HB3 LYS 68 - HD3 LYS 13 lone 1 92 - 2 - HB VAL 54 - HG12 ILE 15 lone 1 24 - 6 - 8466/2.1=1, 3.0/10651=1 HB3 LYS 68 - HD3 LYS 24 lone 1 83 - 2 - HB3 LYS 68 - HD2 LYS 24 lone 1 78 - 2 - HB3 LYS 39 - HD3 LYS 24 lone 1 84 - 1 - HB3 LYS 39 - HD2 LYS 24 lone 1 79 - 1 - HB3 GLU 104 - HD3 LYS 24 lone 1 84 - 1 - HB VAL 54 - HD3 LYS 24 lone 1 46 - 1 - HB3 GLU 104 - HD2 LYS 24 lone 1 79 - 1 - HB3 GLU 104 - HD2 LYS 13 lone 0 95 - 1 - HB VAL 54 - HD2 LYS 24 lone 1 43 - 1 - HB VAL 5 - HD3 LYS 24 lone 1 83 - 1 - HB3 GLU 104 - HD3 LYS 13 lone 0 93 - 1 - HB VAL 5 - HG12 ILE 15 lone 1 47 - 1 - HB VAL 5 - HD2 LYS 24 lone 0 78 - 1 - HB VAL 54 - HD3 LYS 90 lone 0 30 - 2 - HB3 GLU 104 - HG12 ILE 15 lone 0 48 - 1 - HB VAL 5 - HD3 LYS 90 lone 0 58 - 1 - Peak 441 from cnoeabs.peaks (1.45, 1.70, 29.09 ppm; 2.79 A): 4 out of 128 assignments used, quality = 1.00: HG2 LYS 12 + HD3 LYS 12 OK 94 100 - 94 - 3.0=82, 423/3.0=9...(34) * HG2 LYS 12 + HD2 LYS 12 OK 94 100 - 94 - 3.0=82, 423/3.0=9...(34) HG2 LYS 13 + HD2 LYS 13 OK 64 70 - 92 - 3.0=84, 1.8/535=6...(18) HG2 LYS 13 + HD3 LYS 13 OK 63 68 - 92 - 3.0=84, 1.8/535=6...(18) HG2 LYS 12 - HD2 LYS 13 OK 32 96 - 34 - 422=4, 421/1.8=3...(8) HG2 LYS 12 - HD3 LYS 13 OK 32 95 - 34 - 421=4, 421/1.8=3...(8) HG2 LYS 13 - HD2 LYS 12 OK 26 77 - 35 - 524=3, 463/3.0=3...(8) HG2 LYS 13 - HD3 LYS 12 OK 26 77 - 35 - 524=3, 463/3.0=3...(8) HG2 LYS 12 - HD3 LYS 24 OK 24 86 - 28 - 421=3, 420/3.0=2...(7) HG2 LYS 12 - HD2 LYS 24 OK 23 81 - 28 - 421=3, 420/3.0=2...(7) HG3 LYS 39 - HD2 LYS 12 OK 19 99 - 19 - 1716/3.6=3, 1716/3.6=2...(5) HG3 LYS 39 - HD3 LYS 12 OK 19 99 - 19 - 1716/3.6=3, 1716/3.6=2...(5) HG2 LYS 13 - HD3 LYS 24 OK 15 60 - 25 - 524=2, 1.8/535=1...(4) HG2 LYS 13 - HD2 LYS 24 OK 14 56 - 25 - 524=2, 1.8/535=1...(4) HG2 LYS 12 - HG12 ILE 15 OK 11 50 - 23 - 8468/2.1=3, 421=3...(9) HB2 LEU 27 - HD2 LYS 12 OK 10 87 - 12 - 1192/3.0=1, ~10392=1 HB2 LEU 27 - HD3 LYS 12 OK 10 87 - 12 - 1192/3.0=1, ~10392=1 HG LEU 29 - HD2 LYS 12 OK 10 92 - 11 - 430/3.0=1 HG LEU 29 - HD3 LYS 12 OK 10 92 - 11 - 430/3.0=1 HG2 LYS 12 - HD3 LYS 90 poor 9 61 - 14 - 421=2, ~3973=2, 420/2.9=1 HG13 ILE 76 - HD2 LYS 13 lone 6 87 - 7 - ~10394=1 HG13 ILE 76 - HD3 LYS 13 lone 6 85 - 7 - ~10394=1 HG LEU 29 - HG12 ILE 15 poor 5 41 - 13 - ~8469=4, ~10501=2...(6) HG2 LYS 53 - HD3 LYS 90 poor 5 33 - 16 - ~3971=2, 3.0/2396=1, ~9187=1 HD2 LYS 82 - HG12 ILE 15 poor 5 34 - 15 - ~8462=4, ~8463=3...(7) HD2 LYS 53 - HD3 LYS 90 poor 5 42 - 12 - 2439/3.6=2, ~3976=1...(6) HG13 ILE 76 - HD2 LYS 12 lone 5 94 - 5 - HG13 ILE 76 - HD3 LYS 12 lone 5 94 - 5 - HG2 LYS 13 - HG12 ILE 15 poor 5 32 - 15 - ~10852=2, 517/4.6=1...(5) QB ALA 22 - HD2 LYS 12 lone 5 92 - 5 - QB ALA 22 - HD3 LYS 12 lone 5 92 - 5 - HG13 ILE 52 - HD3 LYS 12 lone 4 87 - 5 - HG13 ILE 52 - HD2 LYS 12 lone 4 87 - 5 - HG3 LYS 39 - HD2 LYS 13 lone 4 95 - 5 - 1713/6.0=1 HB2 LEU 38 - HD3 LYS 12 lone 4 92 - 5 - HB2 LEU 38 - HD2 LYS 12 lone 4 92 - 5 - HG3 LYS 39 - HD3 LYS 13 lone 4 93 - 5 - 1713/6.0=1 HG3 ARG 91 - HD2 LYS 12 lone 3 97 - 3 - HG3 ARG 91 - HD3 LYS 12 lone 3 97 - 3 - HG13 ILE 76 - HG12 ILE 15 lone 3 42 - 8 - ~10118=1, 8468/2.1=1 HG13 ILE 76 - HD3 LYS 90 lone 3 52 - 6 - 10285/2.9=2, ~10883=1 HB2 LEU 38 - HD2 LYS 13 lone 3 85 - 3 - HB2 LEU 38 - HD3 LYS 13 lone 3 83 - 3 - HG LEU 29 - HD3 LYS 90 lone 3 51 - 6 - 10285/2.9=1 HB2 LEU 38 - HG12 ILE 15 lone 3 41 - 6 - HG3 LYS 39 - HG12 ILE 15 lone 3 48 - 5 - 1713/4.6=1 HG3 ARG 91 - HD3 LYS 90 lone 3 56 - 5 - 4.8/7438=2 QB ALA 22 - HD3 LYS 24 lone 2 74 - 3 - 8589/6.3=2 HG13 ILE 76 - HD3 LYS 24 lone 2 76 - 3 - HG3 ARG 91 - HD3 LYS 13 lone 2 89 - 3 - QB ALA 22 - HD2 LYS 24 lone 2 69 - 3 - 8589/6.3=2 HG3 ARG 91 - HD2 LYS 13 lone 2 91 - 2 - HG13 ILE 76 - HD2 LYS 24 lone 2 72 - 3 - HG LEU 38 - HD3 LYS 12 lone 2 81 - 3 - HG LEU 38 - HD2 LYS 12 lone 2 81 - 3 - HD2 LYS 40 - HD3 LYS 12 lone 2 61 - 3 - HD2 LYS 40 - HD2 LYS 12 lone 2 61 - 3 - HG13 ILE 52 - HD2 LYS 13 lone 2 80 - 2 - HG LEU 29 - HD2 LYS 13 lone 2 85 - 2 - HB2 LEU 27 - HG12 ILE 15 lone 2 37 - 5 - 1194/2.1=1 HG13 ILE 52 - HD3 LYS 13 lone 2 78 - 2 - HG LEU 29 - HD3 LYS 13 lone 2 83 - 2 - HD2 LYS 53 - HD2 LYS 12 lone 2 81 - 2 - HD2 LYS 53 - HD3 LYS 12 lone 2 81 - 2 - QB ALA 22 - HD2 LYS 13 lone 2 85 - 2 - HG3 ARG 91 - HD3 LYS 24 lone 2 80 - 2 - QB ALA 22 - HD3 LYS 13 lone 2 83 - 2 - HD2 LYS 53 - HD3 LYS 24 lone 2 63 - 2 - HG3 ARG 91 - HD2 LYS 24 lone 2 76 - 2 - HD2 LYS 53 - HD2 LYS 24 lone 2 59 - 2 - HG3 LYS 39 - HD3 LYS 90 lone 2 59 - 3 - HG2 LYS 53 - HD2 LYS 12 lone 1 65 - 2 - HG2 LYS 53 - HD3 LYS 12 lone 1 65 - 2 - HG13 ILE 52 - HD3 LYS 24 lone 1 69 - 2 - HG LEU 38 - HG12 ILE 15 lone 1 34 - 4 - QB ALA 22 - HG12 ILE 15 lone 1 41 - 3 - HG13 ILE 52 - HD2 LYS 24 lone 1 64 - 2 - HG LEU 38 - HD2 LYS 13 lone 1 73 - 2 - HG LEU 38 - HD3 LYS 13 lone 1 72 - 2 - HB2 LEU 27 - HD3 LYS 24 lone 1 69 - 2 - HG3 LYS 39 - HD3 LYS 24 lone 1 84 - 1 - HB2 LEU 27 - HD2 LYS 24 lone 1 64 - 2 - HG2 LYS 13 - HD3 LYS 90 lone 1 40 - 3 - HG2 LYS 20 - HD3 LYS 12 lone 1 87 - 1 - HG2 LYS 20 - HD2 LYS 12 lone 1 87 - 1 - HG3 LYS 39 - HD2 LYS 24 lone 1 79 - 1 - HG3 ARG 91 - HG12 ILE 15 lone 1 45 - 2 - HG2 LYS 53 - HD3 LYS 24 lone 1 50 - 2 - HG LEU 29 - HD3 LYS 24 lone 1 74 - 1 - HB2 LEU 27 - HD2 LYS 13 lone 1 80 - 1 - HB2 LEU 27 - HD3 LYS 13 lone 1 78 - 1 - HG2 LYS 53 - HD2 LYS 24 lone 1 46 - 2 - HG LEU 29 - HD2 LYS 24 lone 1 69 - 1 - HG13 ILE 52 - HG12 ILE 15 lone 1 37 - 2 - HD2 LYS 82 - HD3 LYS 12 lone 1 81 - 1 - HD2 LYS 82 - HD2 LYS 12 lone 1 81 - 1 - HG2 LYS 20 - HG12 ILE 15 lone 1 37 - 2 - HB2 LEU 27 - HD3 LYS 90 lone 1 47 - 2 - HD2 LYS 40 - HG12 ILE 15 lone 1 24 - 3 - HB2 LEU 38 - HD3 LYS 90 lone 1 51 - 1 - HB2 LEU 38 - HD3 LYS 24 lone 1 74 - 1 - HD2 LYS 53 - HD2 LYS 13 lone 1 73 - 1 - HB2 LEU 38 - HD2 LYS 24 lone 1 69 - 1 - HD2 LYS 53 - HD3 LYS 13 lone 1 72 - 1 - QB ALA 22 - HD3 LYS 90 lone 1 51 - 1 - HD2 LYS 40 - HD2 LYS 13 lone 1 55 - 1 - HG2 LYS 20 - HD2 LYS 13 lone 1 80 - 1 - HD2 LYS 40 - HD3 LYS 13 lone 1 54 - 1 - HG2 LYS 20 - HD3 LYS 13 lone 0 78 - 1 - HD2 LYS 53 - HG12 ILE 15 lone 1 34 - 2 - HG2 LYS 53 - HD2 LYS 13 lone 0 59 - 1 - HG LEU 38 - HD3 LYS 24 lone 0 63 - 1 - HG2 LYS 53 - HD3 LYS 13 lone 0 57 - 1 - HG13 ILE 52 - HD3 LYS 90 lone 0 47 - 1 - HD2 LYS 40 - HD3 LYS 24 lone 0 46 - 1 - HG2 LYS 53 - HG12 ILE 15 lone 0 26 - 2 - HG LEU 38 - HD2 LYS 24 lone 0 59 - 1 - HD2 LYS 40 - HD2 LYS 24 lone 0 43 - 1 - HD2 LYS 82 - HD3 LYS 90 lone 0 42 - 1 - HG2 LYS 20 - HD3 LYS 24 lone 0 69 - 1 - HG2 LYS 20 - HD2 LYS 24 lone 0 64 - 1 - HG LEU 38 - HD3 LYS 90 lone 0 42 - 1 - HD2 LYS 82 - HD2 LYS 13 lone 0 73 - 0 - HD2 LYS 82 - HD3 LYS 13 lone 0 72 - 0 - HG2 LYS 20 - HD3 LYS 90 lone 0 47 - 1 - HD2 LYS 82 - HD3 LYS 24 lone 0 63 - 0 - HD2 LYS 40 - HD3 LYS 90 lone 0 30 - 1 - HD2 LYS 82 - HD2 LYS 24 lone 0 59 - 0 - Peak 442 from cnoeabs.peaks (1.59, 1.70, 29.09 ppm; 2.40 A): 4 out of 104 assignments used, quality = 0.99: HG3 LYS 12 + HD3 LYS 12 OK 76 100 - 76 - 3.0=52, 1.8/421=7...(22) * HG3 LYS 12 + HD2 LYS 12 OK 76 100 - 76 - 3.0=52, 1.8/422=7...(22) HG2 LYS 24 + HD3 LYS 24 OK 57 78 - 73 - 3.0=54, 1.8/1102=7...(16) HG2 LYS 24 + HD2 LYS 24 OK 54 74 - 73 - 3.0=54, 1.8/1102=7...(16) HG3 LYS 90 - HD3 LYS 90 OK 36 51 - 71 - 2.9=54, 4006/3.0=6...(19) HD2 LYS 66 - HD3 LYS 12 OK 23 97 - 24 - 2937=4, 2937/1.8=2...(7) HD2 LYS 66 - HD2 LYS 12 OK 23 97 - 24 - 2937=4, 2937/1.8=2...(7) HG3 LYS 12 - HD2 LYS 13 OK 22 96 - 23 - 1.8/421=2, 433=2...(7) HG3 LYS 12 - HD3 LYS 13 OK 21 95 - 23 - 1.8/422=2, 432=2...(7) HG2 LYS 24 - HD2 LYS 12 OK 21 96 - 22 - 464/3.0=2, 1.8/1102=2...(4) HG2 LYS 24 - HD3 LYS 12 OK 21 96 - 22 - 464/3.0=2, 1.8/1102=2...(4) HG3 LYS 12 - HD3 LYS 24 OK 17 86 - 20 - 1.8/421=2, 432=1, 1099/3.0=1 HG3 LYS 12 - HD2 LYS 24 OK 16 81 - 20 - 1.8/422=2, 433=1, 1099/3.0=1 HG2 LYS 24 - HD2 LYS 13 OK 15 89 - 17 - 1.8/1102=2, 1091=1 HG2 LYS 24 - HD3 LYS 13 OK 15 87 - 17 - 1.8/1102=2, 1091=1 HG3 LYS 90 - HD3 LYS 12 OK 14 92 - 16 - 1.8/3953=1, 2.9/3975=1 HG3 LYS 90 - HD2 LYS 12 OK 14 92 - 16 - 1.8/3953=1, 2.9/3975=1 HG3 LYS 73 - HD3 LYS 24 OK 14 84 - 17 - 1099/3.0=1, 433=1 HG3 LYS 73 - HD2 LYS 24 OK 13 79 - 17 - 1099/3.0=1, 432=1 HG3 LYS 73 - HD2 LYS 13 OK 13 95 - 14 - HG3 LYS 73 - HD3 LYS 13 OK 13 93 - 14 - HG3 LYS 90 - HD3 LYS 24 OK 12 74 - 16 - 1099/3.0=1, 1.8/3953=1 HG3 LYS 90 - HD2 LYS 24 OK 11 69 - 16 - 1099/3.0=1, 1.8/3953=1 HG3 LYS 73 - HD3 LYS 12 OK 10 99 - 10 - 420/3.0=1 HG3 LYS 73 - HD2 LYS 12 OK 10 99 - 10 - 420/3.0=1 HG LEU 27 - HD3 LYS 12 lone 9 99 - 10 - 420/3.0=1 HG LEU 27 - HD2 LYS 12 lone 9 99 - 10 - 420/3.0=1 HB3 LEU 29 - HD2 LYS 12 lone 9 100 - 9 - 420/3.0=1 HB3 LEU 29 - HD3 LYS 12 lone 9 100 - 9 - 420/3.0=1 HG3 LYS 12 - HG12 ILE 15 poor 8 50 - 17 - 10853/2.1=2, 3.7/387=2...(8) HG2 LYS 24 - HD3 LYS 90 poor 8 54 - 15 - 3973/1.8=2, 3951/2.9=2...(7) HG3 LYS 90 - HG12 ILE 15 poor 8 41 - 20 - 2.9/3975=2, 3963/2.9=2...(10) HD2 LYS 66 - HD2 LYS 13 lone 8 91 - 8 - 2937=1 HD2 LYS 66 - HD3 LYS 13 lone 7 89 - 8 - 2937=1 HG3 LYS 12 - HD3 LYS 90 poor 7 61 - 11 - 3973/1.8=1, 4006/3.0=1 HD2 LYS 66 - HD3 LYS 24 lone 7 80 - 8 - 2937=1 HD2 LYS 66 - HD2 LYS 24 lone 6 76 - 8 - 2937=1 HB2 ARG 30 - HD3 LYS 90 lone 5 52 - 10 - 1324/2.9=2, ~3972=1, ~1333=1 HD3 LYS 94 - HD3 LYS 90 lone 3 59 - 6 - HD3 LYS 94 - HD3 LYS 12 lone 3 99 - 3 - HD3 LYS 94 - HD2 LYS 12 lone 3 99 - 3 - HB3 LEU 29 - HG12 ILE 15 lone 3 49 - 7 - ~8469=2, ~8467=1 HG3 LYS 90 - HD2 LYS 13 lone 3 85 - 3 - HG3 LYS 90 - HD3 LYS 13 lone 3 83 - 3 - HB3 LEU 29 - HD3 LYS 90 lone 3 60 - 5 - HD2 LYS 66 - HD3 LYS 90 lone 3 56 - 5 - HG3 LYS 73 - HD3 LYS 90 lone 2 59 - 4 - HD3 LYS 94 - HD2 LYS 13 lone 2 95 - 2 - HD3 LYS 94 - HD3 LYS 13 lone 2 93 - 2 - HB2 LEU 103 - HD3 LYS 90 lone 2 52 - 4 - HD2 LYS 66 - HG12 ILE 15 lone 2 45 - 5 - HB2 LEU 103 - HD3 LYS 24 lone 2 76 - 3 - HB2 LEU 103 - HD2 LYS 24 lone 2 72 - 3 - HG LEU 27 - HG12 ILE 15 lone 2 48 - 4 - HG LEU 103 - HD3 LYS 24 lone 2 69 - 3 - HG LEU 103 - HD3 LYS 90 lone 2 47 - 4 - HG LEU 103 - HD2 LYS 24 lone 2 64 - 3 - HG2 ARG 19 - HG12 ILE 15 lone 2 42 - 4 - HB3 LEU 29 - HD2 LYS 13 lone 2 96 - 2 - HB3 LEU 29 - HD3 LYS 13 lone 2 94 - 2 - HG2 ARG 19 - HD3 LYS 90 lone 2 52 - 3 - HD3 LYS 94 - HD3 LYS 24 lone 1 84 - 2 - HG LEU 27 - HD3 LYS 24 lone 1 84 - 2 - HG2 ARG 19 - HD3 LYS 12 lone 1 94 - 1 - HG2 ARG 19 - HD2 LYS 12 lone 1 94 - 1 - HD3 LYS 94 - HD2 LYS 24 lone 1 79 - 2 - HG LEU 27 - HD2 LYS 24 lone 1 79 - 2 - HG2 LYS 24 - HG12 ILE 15 lone 1 44 - 3 - HG LEU 27 - HD3 LYS 90 lone 1 59 - 2 - HB2 LEU 103 - HD3 LYS 12 lone 1 94 - 1 - HB2 LEU 103 - HD2 LYS 12 lone 1 94 - 1 - HB2 ARG 30 - HD3 LYS 12 lone 1 94 - 1 - HB2 ARG 30 - HD2 LYS 12 lone 1 94 - 1 - HG LEU 27 - HD2 LYS 13 lone 1 95 - 1 - HG LEU 27 - HD3 LYS 13 lone 1 93 - 1 - HG3 LYS 73 - HG12 ILE 15 lone 1 48 - 2 - HB3 LEU 29 - HD3 LYS 24 lone 1 85 - 1 - HB3 LEU 29 - HD2 LYS 24 lone 1 81 - 1 - HG LEU 103 - HD3 LYS 12 lone 1 87 - 1 - HG LEU 103 - HD2 LYS 12 lone 1 87 - 1 - HG2 ARG 19 - HD2 LYS 13 lone 1 87 - 1 - HG2 ARG 19 - HD3 LYS 24 lone 1 76 - 1 - HG2 ARG 19 - HD3 LYS 13 lone 1 85 - 1 - HB2 ARG 79 - HD3 LYS 12 lone 1 98 - 1 - HB2 ARG 79 - HD2 LYS 12 lone 1 98 - 1 - HG2 ARG 19 - HD2 LYS 24 lone 1 72 - 1 - HD3 LYS 94 - HG12 ILE 15 lone 1 48 - 1 - HB2 ARG 30 - HG12 ILE 15 lone 1 42 - 1 - HB2 ARG 30 - HD3 LYS 24 lone 0 76 - 1 - HB2 LEU 103 - HD2 LYS 13 lone 0 87 - 0 - HB2 ARG 79 - HD3 LYS 90 lone 0 57 - 1 - HB2 ARG 30 - HD2 LYS 13 lone 0 87 - 0 - HB2 ARG 30 - HD2 LYS 24 lone 0 72 - 1 - HB2 LEU 103 - HD3 LYS 13 lone 0 85 - 0 - HB2 ARG 30 - HD3 LYS 13 lone 0 85 - 0 - HB2 LEU 103 - HG12 ILE 15 lone 0 42 - 1 - HB2 ARG 79 - HD3 LYS 24 lone 0 81 - 0 - HG LEU 103 - HD2 LYS 13 lone 0 80 - 0 - HB2 ARG 79 - HD2 LYS 24 lone 0 77 - 0 - HB2 ARG 79 - HD2 LYS 13 lone 0 92 - 0 - HG LEU 103 - HD3 LYS 13 lone 0 78 - 0 - HB2 ARG 79 - HD3 LYS 13 lone 0 91 - 0 - HG LEU 103 - HG12 ILE 15 lone 0 37 - 1 - HB2 ARG 79 - HG12 ILE 15 lone 0 46 - 0 - Peak 443 from cnoeabs.peaks (1.70, 1.70, 29.09 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HD3 LYS 12 + HD3 LYS 12 OK 100 100 - 100 * HD2 LYS 12 + HD2 LYS 12 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 96 96 - 100 HD3 LYS 13 + HD3 LYS 13 OK 94 94 - 100 HD3 LYS 24 + HD3 LYS 24 OK 84 84 - 100 HD2 LYS 24 + HD2 LYS 24 OK 78 78 - 100 HD3 LYS 90 + HD3 LYS 90 OK 59 59 - 100 HG12 ILE 15 + HG12 ILE 15 OK 45 45 - 100 Peak 444 from cnoeabs.peaks (1.70, 1.70, 29.09 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HD3 LYS 12 + HD3 LYS 12 OK 100 100 - 100 HD2 LYS 12 + HD2 LYS 12 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 96 96 - 100 HD3 LYS 13 + HD3 LYS 13 OK 94 94 - 100 HD3 LYS 24 + HD3 LYS 24 OK 84 84 - 100 HD2 LYS 24 + HD2 LYS 24 OK 78 78 - 100 HD3 LYS 90 + HD3 LYS 90 OK 59 59 - 100 HG12 ILE 15 + HG12 ILE 15 OK 45 45 - 100 Reference assignment not found: HD3 LYS 12 - HD2 LYS 12 Peak 445 from cnoeabs.peaks (3.01, 1.70, 29.09 ppm; 3.18 A): 2 out of 40 assignments used, quality = 1.00: HE2 LYS 12 + HD3 LYS 12 OK 100 100 - 100 - 3.0=100 * HE2 LYS 12 + HD2 LYS 12 OK 100 100 - 100 - 3.0=100 HE2 LYS 12 - HD2 LYS 13 OK 35 96 - 37 - 465=4, 463/3.0=4...(10) HE2 LYS 12 - HD3 LYS 13 OK 35 95 - 37 - 465=4, 463/3.0=4...(10) HE2 LYS 12 - HD3 LYS 24 OK 28 86 - 33 - 464/3.0=4, 465=4...(7) HE2 LYS 12 - HD2 LYS 24 OK 27 81 - 33 - 464/3.0=4, 466=4...(7) HB3 ASP 11 - HD2 LYS 12 OK 12 84 - 15 - 423/3.0=3, 4.5/6157=2...(7) HB3 ASP 11 - HD3 LYS 12 OK 12 84 - 15 - 423/3.0=3, 4.5/6157=2...(7) HE2 LYS 12 - HG12 ILE 15 OK 11 50 - 22 - 8445/2.1=4, 8451/4.1=3...(8) HB2 SER 9 - HD2 LYS 12 poor 9 73 - 13 - 1.8/8326=1, 423/3.0=1...(6) HB2 SER 9 - HD3 LYS 12 poor 9 73 - 13 - 1.8/8326=1, 423/3.0=1...(6) HB2 SER 9 - HG12 ILE 15 poor 9 30 - 30 - ~10417=7, ~8442=7...(8) HE2 LYS 12 - HD3 LYS 90 poor 7 61 - 12 - 465=1, 464/2.9=1, ~3975=1 HE2 LYS 33 - HD2 LYS 13 lone 7 77 - 9 - 1495/3.0=1 HE3 LYS 33 - HD2 LYS 13 lone 7 77 - 9 - 1495/3.0=1 HE2 LYS 33 - HD3 LYS 13 lone 7 75 - 9 - 1506/3.0=1 HE3 LYS 33 - HD3 LYS 13 lone 7 75 - 9 - 1506/3.0=1 HB3 ASP 11 - HG12 ILE 15 poor 6 36 - 18 - ~8448=5, 8445/2.1=5...(6) HE2 LYS 33 - HD2 LYS 12 lone 6 84 - 7 - 423/3.0=1 HE2 LYS 33 - HD3 LYS 12 lone 6 84 - 7 - 423/3.0=1 HE3 LYS 33 - HD3 LYS 12 lone 6 84 - 7 - 423/3.0=1 HE3 LYS 33 - HD2 LYS 12 lone 6 84 - 7 - 423/3.0=1 HB3 ASP 11 - HD2 LYS 13 lone 5 77 - 6 - 6171/6.0=2, 8365/3.6=1 HB3 ASP 11 - HD3 LYS 13 lone 5 75 - 6 - 6171/6.0=2, 8365/3.6=1 HB2 SER 9 - HD2 LYS 13 lone 4 66 - 6 - HB2 SER 9 - HD3 LYS 13 lone 4 65 - 6 - HE3 LYS 33 - HD3 LYS 24 lone 4 66 - 6 - HE2 LYS 33 - HD3 LYS 24 lone 4 66 - 6 - HE3 LYS 33 - HD2 LYS 24 lone 4 62 - 6 - HE2 LYS 33 - HD2 LYS 24 lone 4 62 - 6 - HE3 LYS 33 - HG12 ILE 15 lone 2 36 - 7 - 8451/4.1=2 HE2 LYS 33 - HG12 ILE 15 lone 2 36 - 7 - 8451/4.1=2 HB2 SER 9 - HD3 LYS 24 lone 2 56 - 3 - HB2 SER 9 - HD2 LYS 24 lone 2 53 - 3 - HB3 ASP 11 - HD3 LYS 24 lone 2 66 - 3 - HB3 ASP 11 - HD2 LYS 24 lone 2 62 - 3 - HE3 LYS 33 - HD3 LYS 90 lone 1 44 - 3 - HE2 LYS 33 - HD3 LYS 90 lone 1 44 - 3 - HB3 ASP 11 - HD3 LYS 90 lone 1 44 - 2 - HB2 SER 9 - HD3 LYS 90 lone 1 37 - 2 - Peak 446 from cnoeabs.peaks (2.96, 1.70, 29.09 ppm; 3.01 A): 10 out of 96 assignments used, quality = 1.00: HE3 LYS 12 + HD3 LYS 12 OK 100 100 - 100 - 3.0=100 * HE3 LYS 12 + HD2 LYS 12 OK 100 100 - 100 - 3.0=100 HE2 LYS 13 + HD2 LYS 13 OK 94 94 - 100 - 2.9=100 HE2 LYS 13 + HD3 LYS 13 OK 92 92 - 100 - 2.9=100 HE3 LYS 13 + HD2 LYS 13 OK 91 91 - 100 - 2.9=100 HE3 LYS 13 + HD3 LYS 13 OK 89 89 - 100 - 2.9=100 HE3 LYS 24 + HD3 LYS 24 OK 85 85 - 100 - 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 85 85 - 100 - 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 80 80 - 100 - 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 80 80 - 100 - 3.0=100 HE2 LYS 13 - HD2 LYS 12 OK 30 99 - 31 - 468/3.0=2, 424/3.0=2...(8) HE2 LYS 13 - HD3 LYS 12 OK 30 99 - 31 - 468/3.0=2, 424/3.0=2...(8) HE3 LYS 13 - HD2 LYS 12 OK 29 97 - 31 - 468/3.0=2, 424/3.0=2...(8) HE3 LYS 13 - HD3 LYS 12 OK 29 97 - 31 - 468/3.0=2, 424/3.0=2...(8) HE3 LYS 24 - HD2 LYS 12 OK 27 100 - 27 - 468/3.0=3, 424/3.0=2...(6) HE3 LYS 24 - HD3 LYS 12 OK 27 100 - 27 - 468/3.0=3, 424/3.0=2...(6) HE2 LYS 24 - HD3 LYS 12 OK 27 100 - 27 - 468/3.0=3, 424/3.0=2...(6) HE2 LYS 24 - HD2 LYS 12 OK 27 100 - 27 - 468/3.0=3, 424/3.0=2...(6) HE3 LYS 12 - HD2 LYS 13 OK 25 96 - 26 - 1.8/465=3, ~463=2...(9) HE3 LYS 12 - HD3 LYS 13 OK 25 95 - 26 - 1.8/466=3, ~463=2...(9) HE3 LYS 12 - HD3 LYS 24 OK 21 86 - 24 - 1.8/466=3, ~464=2...(8) HE3 LYS 12 - HD2 LYS 24 OK 20 81 - 24 - 1.8/466=3, ~464=2...(10) HE2 LYS 24 - HD2 LYS 13 OK 19 95 - 21 - 525/3.0=2, 3.7/1102=1...(4) HE3 LYS 24 - HD2 LYS 13 OK 19 95 - 21 - 525/3.0=2, 3.7/1102=1...(4) HE3 LYS 24 - HD3 LYS 13 OK 19 94 - 21 - 525/3.0=2, 3.7/1102=1...(4) HE2 LYS 24 - HD3 LYS 13 OK 19 94 - 21 - 525/3.0=2, 3.7/1102=1...(4) HE2 LYS 13 - HD3 LYS 24 OK 17 83 - 21 - 1104/3.0=2, 3.8/524=1 HE3 LYS 13 - HD3 LYS 24 OK 16 80 - 21 - 1103/3.0=2, 3.8/524=1 HE2 LYS 13 - HD2 LYS 24 OK 16 78 - 21 - 1103/3.0=2, 3.8/524=1 HE3 LYS 13 - HD2 LYS 24 OK 15 76 - 21 - 1104/3.0=2, 3.8/524=1 HE2 LYS 47 - HD3 LYS 13 OK 12 85 - 14 - 2205/3.0=1, 525/3.0=1 HE3 LYS 47 - HD3 LYS 13 OK 12 85 - 14 - 2205/3.0=1, 525/3.0=1 HE3 LYS 47 - HD2 LYS 13 OK 12 87 - 14 - 2205/3.0=1, 525/3.0=1 HE2 LYS 47 - HD2 LYS 13 OK 12 87 - 14 - 2205/3.0=1, 525/3.0=1 HE3 LYS 12 - HG12 ILE 15 OK 11 50 - 22 - ~8445=4, ~10392=3...(8) HE2 LYS 47 - HD3 LYS 24 poor 10 76 - 13 - 12306/4.9=1 HE3 LYS 47 - HD3 LYS 24 poor 10 76 - 13 - 12306/4.9=1 HE3 LYS 47 - HD2 LYS 24 poor 9 72 - 13 - 12306/4.9=1 HE2 LYS 47 - HD2 LYS 24 poor 9 72 - 13 - 12306/4.9=1 HE2 LYS 73 - HD3 LYS 24 poor 7 63 - 12 - 1103/3.0=1 HE2 LYS 73 - HD2 LYS 24 poor 7 59 - 12 - 1103/3.0=1 HE3 LYS 12 - HD3 LYS 90 lone 6 61 - 9 - HE3 LYS 73 - HD3 LYS 24 poor 6 46 - 12 - HE2 LYS 73 - HD2 LYS 13 lone 5 73 - 7 - HE2 LYS 73 - HD3 LYS 13 lone 5 72 - 7 - HE3 LYS 73 - HD2 LYS 24 poor 5 43 - 12 - HE2 LYS 73 - HD3 LYS 12 lone 5 81 - 6 - HE2 LYS 73 - HD2 LYS 12 lone 5 81 - 6 - HE2 LYS 47 - HD2 LYS 12 lone 5 94 - 5 - HE2 LYS 47 - HD3 LYS 12 lone 5 94 - 5 - HE3 LYS 47 - HD3 LYS 12 lone 5 94 - 5 - HE3 LYS 47 - HD2 LYS 12 lone 5 94 - 5 - HE3 LYS 73 - HD2 LYS 13 lone 4 55 - 8 - HE3 LYS 73 - HD3 LYS 13 lone 4 54 - 8 - HE2 LYS 24 - HD3 LYS 90 lone 4 60 - 7 - HE3 LYS 24 - HD3 LYS 90 lone 4 60 - 7 - HE3 LYS 73 - HD3 LYS 12 lone 4 61 - 6 - HE3 LYS 73 - HD2 LYS 12 lone 4 61 - 6 - HE2 LYS 13 - HG12 ILE 15 lone 4 47 - 8 - HE3 LYS 13 - HG12 ILE 15 lone 4 45 - 8 - HE2 LYS 73 - HD3 LYS 90 lone 3 42 - 6 - ~3977=1 HB3 PHE 45 - HG12 ILE 15 lone 2 49 - 5 - ~8444=1, ~8445=1 HB3 PHE 45 - HD3 LYS 12 lone 2 100 - 2 - HB3 PHE 45 - HD2 LYS 12 lone 2 100 - 2 - HE3 LYS 73 - HD3 LYS 90 lone 2 30 - 5 - ~3977=1 HE2 LYS 24 - HG12 ILE 15 lone 2 49 - 3 - HE3 LYS 24 - HG12 ILE 15 lone 2 49 - 3 - HE2 LYS 13 - HD3 LYS 90 lone 2 58 - 3 - HB3 PHE 45 - HD2 LYS 13 lone 1 96 - 2 - HB3 PHE 45 - HD3 LYS 13 lone 1 94 - 2 - HE3 LYS 13 - HD3 LYS 90 lone 1 56 - 3 - HB2 ASN 51 - HD2 LYS 13 lone 1 55 - 2 - HB2 ASN 51 - HD3 LYS 13 lone 1 54 - 2 - HB3 PHE 45 - HD3 LYS 24 lone 1 85 - 1 - HB3 PHE 45 - HD2 LYS 24 lone 1 81 - 1 - HB2 PHE 45 - HD3 LYS 12 lone 1 65 - 1 - HB2 PHE 45 - HD2 LYS 12 lone 1 65 - 1 - HE2 LYS 47 - HG12 ILE 15 lone 1 42 - 2 - HE3 LYS 47 - HG12 ILE 15 lone 1 42 - 2 - HB2 PHE 45 - HD2 LYS 13 lone 1 59 - 1 - HB2 PHE 45 - HG12 ILE 15 lone 1 26 - 3 - HE3 LYS 47 - HD3 LYS 90 lone 1 52 - 1 - HE2 LYS 47 - HD3 LYS 90 lone 1 52 - 1 - HB2 PHE 45 - HD3 LYS 13 lone 1 57 - 1 - HB3 PHE 45 - HD3 LYS 90 lone 1 60 - 1 - HB2 ASN 51 - HD3 LYS 24 lone 1 46 - 1 - HB2 ASN 51 - HD2 LYS 24 lone 1 43 - 1 - HB2 PHE 45 - HD3 LYS 24 lone 1 50 - 1 - HB2 ASN 51 - HD2 LYS 12 lone 0 61 - 1 - HB2 ASN 51 - HD3 LYS 12 lone 0 61 - 1 - HB2 PHE 45 - HD2 LYS 24 lone 0 46 - 1 - HB2 ASN 51 - HD3 LYS 90 lone 0 30 - 1 - HE2 LYS 73 - HG12 ILE 15 lone 0 34 - 1 - HB2 PHE 45 - HD3 LYS 90 lone 0 33 - 1 - HE3 LYS 73 - HG12 ILE 15 lone 0 24 - 1 - HB2 ASN 51 - HG12 ILE 15 lone 0 24 - 1 - Peak 447 from cnoeabs.peaks (8.07, 1.70, 29.09 ppm; 3.48 A): 4 out of 48 assignments used, quality = 0.98: H LYS 13 + HD2 LYS 13 OK 68 96 - 70 - 6.0=19, 517/3.0=11...(24) H LYS 13 + HD3 LYS 13 OK 66 95 - 70 - 6.0=19, 517/3.0=11...(24) * H LYS 13 + HD2 LYS 12 OK 61 100 - 61 - 425/3.0=10, 6165/3.6=9...(21) H LYS 13 + HD3 LYS 12 OK 61 100 - 61 - 425/3.0=10, 6165/3.6=9...(21) H ILE 15 - HG12 ILE 15 OK 41 49 - 83 - 4.6=42, 6217/2.9=17...(14) H ILE 15 - HD2 LYS 13 OK 37 96 - 39 - 517/3.0=7, 6208/5.5=5...(15) H ILE 15 - HD2 LYS 12 OK 37 100 - 37 - 425/3.0=5, 6219=4...(17) H ILE 15 - HD3 LYS 12 OK 37 100 - 37 - 425/3.0=5, 6219=4...(17) H ILE 15 - HD3 LYS 13 OK 37 94 - 39 - 517/3.0=7, 6208/5.5=5...(15) H LYS 13 - HD3 LYS 24 OK 22 86 - 26 - 6177/3.0=2, 6179=2...(11) H LYS 39 - HD2 LYS 12 OK 21 96 - 22 - 425/3.0=6, 6605/3.6=4...(7) H LYS 39 - HD3 LYS 12 OK 21 96 - 22 - 425/3.0=6, 6605/3.6=4...(7) H LYS 13 - HD2 LYS 24 OK 21 81 - 26 - 6177/3.0=2, 6179=2...(11) H LYS 13 - HG12 ILE 15 OK 18 50 - 37 - 677/2.1=8, 669/1.8=7...(10) H ILE 15 - HD3 LYS 90 OK 15 61 - 24 - 6217/1.8=5, 6219=3...(9) H GLU 17 - HG12 ILE 15 OK 15 37 - 39 - 6247/4.1=15, 669/1.8=6...(8) H GLU 75 - HD2 LYS 13 OK 12 96 - 13 - 517/3.0=3, 9618/5.5=2...(5) H GLU 75 - HD3 LYS 13 OK 12 94 - 13 - 517/3.0=3, 9618/5.5=2...(5) H ILE 15 - HD3 LYS 24 poor 9 86 - 10 - 6219=1 H GLU 17 - HD2 LYS 13 poor 9 80 - 11 - 10427/5.5=2, 517/3.0=1 H GLU 17 - HD3 LYS 13 poor 8 78 - 11 - 10427/5.5=2, 517/3.0=1 H ILE 15 - HD2 LYS 24 poor 8 81 - 10 - 6219=1 H GLU 75 - HD3 LYS 12 lone 8 100 - 8 - 425/3.0=2, 436/3.0=1 H GLU 75 - HD2 LYS 12 lone 8 100 - 8 - 425/3.0=2, 436/3.0=1 H GLU 17 - HD3 LYS 12 lone 8 87 - 9 - H GLU 17 - HD2 LYS 12 lone 8 87 - 9 - H LYS 39 - HD2 LYS 13 lone 6 89 - 7 - 517/3.0=2 H LYS 39 - HD3 LYS 13 lone 6 87 - 7 - 517/3.0=2 H LYS 39 - HG12 ILE 15 poor 6 44 - 13 - 677/2.1=3, 669/1.8=2...(5) H GLU 75 - HD3 LYS 24 lone 6 86 - 7 - 7236/3.6=1, 7236/3.6=1 H LYS 13 - HD3 LYS 90 lone 6 61 - 9 - 8389/5.2=2 H GLU 75 - HD2 LYS 24 lone 5 81 - 7 - 7236/3.6=1, 7236/3.6=1 H GLU 17 - HD3 LYS 90 poor 5 47 - 11 - 5.1/10436=3, 6245/5.2=3 H GLU 75 - HG12 ILE 15 poor 5 49 - 10 - 677/2.1=2, 645/2.9=2...(5) H SER 102 - HG12 ILE 15 lone 3 30 - 9 - 669/1.8=2, 677/2.1=2...(4) H GLU 17 - HD3 LYS 24 lone 2 69 - 3 - H GLU 17 - HD2 LYS 24 lone 2 64 - 3 - H LYS 39 - HD3 LYS 90 lone 2 54 - 4 - H SER 102 - HD2 LYS 12 lone 2 73 - 3 - H SER 102 - HD3 LYS 12 lone 2 73 - 3 - H LYS 39 - HD3 LYS 24 lone 2 78 - 2 - H LYS 39 - HD2 LYS 24 lone 2 74 - 2 - H SER 102 - HD3 LYS 90 lone 2 37 - 4 - 10112/2.9=2, 10111/3.6=1 H SER 102 - HD2 LYS 13 lone 1 66 - 2 - H SER 102 - HD3 LYS 13 lone 1 65 - 2 - H GLU 75 - HD3 LYS 90 lone 1 61 - 2 - H SER 102 - HD3 LYS 24 lone 1 56 - 1 - H SER 102 - HD2 LYS 24 lone 1 53 - 1 - Peak 448 from cnoeabs.peaks (8.56, 1.70, 29.09 ppm; 5.49 A): 4 out of 32 assignments used, quality = 1.00: * H LYS 12 + HD3 LYS 12 OK 98 100 - 98 - 6.2=70, 415/3.0=38...(22) H LYS 12 + HD2 LYS 12 OK 98 100 - 98 - 6.2=70, 415/3.0=38...(22) H LYS 12 + HD2 LYS 13 OK 59 96 - 61 - 6163/6.0=25, 6154/3.0=6...(20) H LYS 12 + HD3 LYS 13 OK 58 95 - 61 - 6163/6.0=25, 6154/3.0=6...(20) H LYS 12 - HG12 ILE 15 OK 41 50 - 83 - 8438/2.1=30, ~392=20...(18) H LYS 12 - HD3 LYS 24 OK 35 86 - 42 - 426/3.0=6, 6159/3.0=4...(19) H LYS 12 - HD2 LYS 24 OK 34 81 - 42 - 426/3.0=6, 6159/3.0=4...(19) H GLN 50 - HD3 LYS 12 OK 16 81 - 19 - 415/3.0=5, 380/5.2=4...(5) H GLN 50 - HD2 LYS 12 OK 16 81 - 19 - 415/3.0=5, 380/5.2=4...(5) H LYS 12 - HD3 LYS 90 OK 12 61 - 20 - ~392=5, 6155/2.9=2...(8) H ASP 61 - HD3 LYS 12 lone 5 77 - 6 - 415/3.0=1, 426/3.0=1 H ASP 61 - HD2 LYS 12 lone 5 77 - 6 - 415/3.0=1, 426/3.0=1 H GLN 50 - HG12 ILE 15 poor 5 34 - 14 - 8438/2.1=9, 4.3/9069=1 H GLN 50 - HD2 LYS 13 lone 4 73 - 6 - 6163/6.0=2 H GLN 50 - HD3 LYS 13 lone 4 72 - 6 - 6163/6.0=2 H GLN 50 - HD3 LYS 24 lone 3 63 - 5 - H VAL 58 - HD3 LYS 12 lone 3 57 - 5 - H VAL 58 - HD2 LYS 12 lone 3 57 - 5 - H GLN 50 - HD2 LYS 24 lone 3 59 - 5 - H VAL 58 - HD2 LYS 13 lone 2 51 - 4 - H VAL 58 - HD3 LYS 13 lone 2 50 - 4 - H ASP 61 - HD2 LYS 13 lone 2 70 - 3 - H ASP 61 - HD3 LYS 13 lone 2 68 - 3 - H VAL 58 - HG12 ILE 15 lone 1 22 - 6 - 8438/2.1=2, ~10703=1 H GLN 50 - HD3 LYS 90 lone 1 42 - 3 - H VAL 58 - HD3 LYS 90 lone 1 28 - 5 - 6947/3.6=1 H ASP 61 - HD3 LYS 24 lone 1 60 - 2 - H ASP 61 - HD2 LYS 24 lone 1 56 - 2 - H VAL 58 - HD3 LYS 24 lone 1 43 - 3 - H VAL 58 - HD2 LYS 24 lone 1 40 - 3 - H ASP 61 - HG12 ILE 15 lone 1 32 - 3 - H ASP 61 - HD3 LYS 90 lone 1 40 - 2 - Peak 449 from cnoeabs.peaks (3.85, 1.70, 29.09 ppm; 4.06 A): 2 out of 72 assignments used, quality = 1.00: * HA LYS 12 + HD3 LYS 12 OK 94 100 - 94 - 5.2=49, 384/3.0=15...(38) HA LYS 12 + HD2 LYS 12 OK 94 100 - 94 - 5.2=49, 384/3.0=15...(38) HA LYS 12 - HD2 LYS 13 OK 45 96 - 47 - 391/6.0=7, 384/3.0=4...(19) HA LYS 12 - HD3 LYS 13 OK 44 95 - 47 - 391/6.0=7, 384/3.0=4...(19) HA LYS 12 - HG12 ILE 15 OK 36 50 - 73 - 392/2.9=25, 8381/2.1=16...(16) HA LYS 12 - HD3 LYS 24 OK 32 86 - 38 - 385/3.0=3, 387=3...(16) HA LYS 12 - HD2 LYS 24 OK 31 81 - 38 - 385/3.0=3, 387=3...(16) HA LYS 40 - HD3 LYS 12 OK 20 92 - 22 - 416/3.0=4, 460/3.0=2...(9) HA LYS 40 - HD2 LYS 12 OK 20 92 - 22 - 416/3.0=4, 460/3.0=2...(9) HA ALA 67 - HD3 LYS 12 OK 20 100 - 20 - 416/3.0=3, 3.0/7091=2...(10) HA ALA 67 - HD2 LYS 12 OK 20 100 - 20 - 416/3.0=3, 3.0/7091=2...(10) HB3 SER 49 - HG12 ILE 15 OK 15 49 - 31 - ~8447=6, 9072/2.1=5...(9) HA2 GLY 101 - HG12 ILE 15 OK 13 39 - 33 - 644/2.9=5, 8446/2.1=5...(10) HA ALA 71 - HG12 ILE 15 OK 12 42 - 28 - 10121/3.2=5, 644/2.9=4...(12) HA ALA 71 - HD2 LYS 12 OK 11 94 - 12 - 416/3.0=1, 460/3.0=1...(4) HA ALA 71 - HD3 LYS 12 OK 11 94 - 12 - 416/3.0=1, 460/3.0=1...(4) HA LYS 12 - HD3 LYS 90 OK 11 61 - 18 - 392/1.8=6, 385/2.9=2...(5) HA LYS 94 - HD3 LYS 12 OK 10 90 - 12 - 416/3.0=2, 427/3.0=2, 460/3.0=1 HA LYS 94 - HD2 LYS 12 OK 10 90 - 12 - 416/3.0=2, 427/3.0=2, 460/3.0=1 HB3 SER 49 - HD2 LYS 12 OK 10 100 - 10 - 416/3.0=2, 460/3.0=1...(4) HB3 SER 49 - HD3 LYS 12 OK 10 100 - 10 - 416/3.0=2, 460/3.0=1...(4) HA LYS 40 - HD2 LYS 13 lone 8 85 - 10 - 6164/6.0=1, 1780/3.6=1...(4) HA LYS 40 - HD3 LYS 13 lone 8 83 - 10 - 6164/6.0=1, 1780/3.6=1...(4) HA LYS 40 - HG12 ILE 15 poor 8 41 - 19 - 8446/2.1=3, 644/2.9=2...(5) HA LYS 94 - HD2 LYS 13 lone 7 83 - 8 - 4172/3.6=1, 4172/3.6=1 HA LYS 94 - HD3 LYS 13 lone 7 81 - 8 - 4172/3.6=1, 4172/3.6=1 HA ALA 67 - HG12 ILE 15 poor 6 49 - 12 - 644/2.9=2, 10121/3.2=2...(5) HA LEU 38 - HD2 LYS 12 lone 6 61 - 9 - 416/3.0=2 HA LEU 38 - HD3 LYS 12 lone 6 61 - 9 - 416/3.0=2 HA ALA 67 - HD2 LYS 13 lone 6 96 - 6 - HA ALA 71 - HD3 LYS 24 lone 6 76 - 7 - 10347/3.6=1, 10347/3.6=1 HA ALA 67 - HD3 LYS 13 lone 6 94 - 6 - HA ALA 71 - HD2 LYS 24 lone 6 72 - 8 - 10347/3.6=1, 10347/3.6=1 HA LYS 94 - HG12 ILE 15 poor 5 39 - 13 - 8446/2.1=2, 644/2.9=2...(5) HA LYS 94 - HD3 LYS 90 poor 5 49 - 11 - ~10310=2, 8541/10444=1...(4) HA2 GLY 101 - HD2 LYS 12 lone 5 90 - 5 - HA2 GLY 101 - HD3 LYS 12 lone 5 90 - 5 - HA ALA 71 - HD2 LYS 13 lone 4 87 - 5 - HA2 GLY 100 - HG12 ILE 15 poor 4 39 - 11 - 8446/2.1=2, 644/2.9=2...(6) HA ALA 71 - HD3 LYS 13 lone 4 85 - 5 - HA ALA 67 - HD3 LYS 24 lone 4 86 - 5 - HA ALA 67 - HD2 LYS 24 lone 4 81 - 5 - HB3 SER 49 - HD2 LYS 13 lone 3 96 - 4 - HA LYS 94 - HD3 LYS 24 lone 3 71 - 5 - HB3 SER 49 - HD3 LYS 13 lone 3 94 - 3 - HA2 GLY 100 - HD2 LYS 12 lone 3 90 - 4 - HA2 GLY 100 - HD3 LYS 12 lone 3 90 - 4 - HA2 GLY 101 - HD2 LYS 13 lone 3 83 - 4 - 8392/5.5=1, 6164/6.0=1 HA LYS 94 - HD2 LYS 24 lone 3 67 - 5 - HA2 GLY 101 - HD3 LYS 13 lone 3 81 - 4 - 8392/5.5=1, 6164/6.0=1 HA LEU 38 - HD2 LYS 13 lone 3 55 - 6 - 8392/5.5=2, 6164/6.0=1 HA LEU 38 - HD3 LYS 13 lone 3 54 - 6 - 8392/5.5=2, 6164/6.0=1 HA LEU 38 - HG12 ILE 15 poor 3 24 - 12 - 8446/2.1=2, 6206/4.6=2...(4) HA2 GLY 101 - HD3 LYS 90 lone 3 49 - 6 - 3.6/3979=1 HA LYS 40 - HD3 LYS 24 lone 3 74 - 3 - HA ALA 67 - HD3 LYS 90 lone 2 61 - 4 - HA LYS 40 - HD2 LYS 24 lone 2 69 - 3 - HB3 SER 49 - HD3 LYS 24 lone 2 85 - 3 - HB3 SER 49 - HD2 LYS 24 lone 2 81 - 3 - HA2 GLY 100 - HD2 LYS 13 lone 2 83 - 3 - HA2 GLY 100 - HD3 LYS 13 lone 2 81 - 3 - HA LYS 40 - HD3 LYS 90 lone 2 51 - 4 - HA ALA 71 - HD3 LYS 90 lone 2 52 - 4 - HA2 GLY 100 - HD3 LYS 90 lone 2 49 - 4 - HB3 SER 49 - HD3 LYS 90 lone 2 60 - 3 - HA2 GLY 101 - HD3 LYS 24 lone 1 71 - 2 - HA2 GLY 101 - HD2 LYS 24 lone 1 67 - 2 - HA2 GLY 100 - HD3 LYS 24 lone 1 71 - 2 - HA2 GLY 100 - HD2 LYS 24 lone 1 67 - 2 - HA LEU 38 - HD3 LYS 24 lone 1 46 - 2 - HA LEU 38 - HD2 LYS 24 lone 1 43 - 2 - HA LEU 38 - HD3 LYS 90 lone 1 30 - 2 - Peak 450 from cnoeabs.peaks (1.86, 1.70, 29.09 ppm; 3.01 A): 4 out of 56 assignments used, quality = 1.00: HB2 LYS 12 + HD2 LYS 12 OK 88 100 - 88 - 3.6=59, 417/3.0=9...(49) * HB2 LYS 12 + HD3 LYS 12 OK 88 100 - 88 - 3.6=59, 417/3.0=9...(49) HB3 LYS 12 + HD2 LYS 12 OK 88 100 - 88 - 3.6=59, 417/3.0=9...(49) HB3 LYS 12 + HD3 LYS 12 OK 88 100 - 88 - 3.6=59, 417/3.0=9...(49) HB2 LYS 12 - HD2 LYS 13 OK 32 96 - 33 - 6165/6.0=2, 3.0/422=2...(9) HB3 LYS 12 - HD2 LYS 13 OK 31 96 - 33 - 6165/6.0=2, 3.0/422=2...(9) HB2 LYS 12 - HD3 LYS 13 OK 31 95 - 33 - 6165/6.0=2, 3.0/421=2...(9) HB3 LYS 12 - HD3 LYS 13 OK 31 94 - 33 - 6165/6.0=2, 3.0/422=2...(9) HB3 LYS 66 - HD3 LYS 12 OK 30 100 - 30 - 2904=3, 1.8/2892=3...(13) HB3 LYS 66 - HD2 LYS 12 OK 30 100 - 30 - 2904=3, 1.8/2892=3...(13) HB2 LYS 12 - HD3 LYS 24 OK 26 86 - 30 - 3.0/422=2, 399=1...(6) HB3 LYS 12 - HD3 LYS 24 OK 25 85 - 30 - 3.0/422=2, 411=1...(6) HB2 LYS 12 - HD2 LYS 24 OK 24 81 - 30 - 3.0/422=2, 399=1...(6) HB3 LYS 12 - HD2 LYS 24 OK 24 81 - 30 - 3.0/422=2, 410=1...(6) HB2 LYS 12 - HG12 ILE 15 OK 19 50 - 39 - 8466/2.1=4, ~392=4...(19) HB3 LYS 12 - HG12 ILE 15 OK 19 49 - 39 - 8466/2.1=5, ~392=4...(19) HB3 LYS 39 - HD2 LYS 12 OK 16 100 - 16 - 417/3.0=3, 428/3.0=2...(4) HB3 LYS 39 - HD3 LYS 12 OK 16 100 - 16 - 417/3.0=3, 428/3.0=2...(4) HB3 LYS 68 - HD3 LYS 90 OK 13 56 - 24 - ~3971=3, ~3941=3...(12) HB3 LYS 66 - HD3 LYS 24 OK 12 85 - 14 - 2904=2, 1.8/2892=1, 2904/1.8=1 HB3 LYS 66 - HD2 LYS 13 OK 12 95 - 12 - 2904=1, 2904/1.8=1, 1.8/2892=1 HB3 LYS 66 - HD3 LYS 13 OK 11 94 - 12 - 2904=1, 2904/1.8=1, 1.8/2892=1 HB3 LYS 66 - HD2 LYS 24 OK 11 80 - 14 - 2904=2, 1.8/2892=1, 2904/1.8=1 HB3 LYS 68 - HD2 LYS 12 lone 9 97 - 9 - 418/3.0=1, 429/3.0=1 HB3 LYS 68 - HD3 LYS 12 lone 9 97 - 9 - 418/3.0=1, 429/3.0=1 HB VAL 5 - HD2 LYS 13 lone 7 95 - 8 - ~12302=5 HB VAL 5 - HD3 LYS 13 lone 7 94 - 8 - ~12302=5 HB2 LYS 12 - HD3 LYS 90 poor 7 61 - 11 - ~392=1, ~3973=1 HB3 LYS 12 - HD3 LYS 90 poor 7 60 - 11 - ~392=1, ~3973=1 HB3 LYS 66 - HG12 ILE 15 lone 4 49 - 8 - HB3 LYS 39 - HD2 LYS 13 lone 4 96 - 4 - HB3 LYS 39 - HD3 LYS 13 lone 4 94 - 4 - HB3 GLU 104 - HD3 LYS 90 lone 4 57 - 7 - 4530/3.6=1 HB VAL 5 - HD2 LYS 12 lone 4 100 - 4 - 10193/3.0=1 HB VAL 5 - HD3 LYS 12 lone 4 100 - 4 - 10193/3.0=1 HB3 LYS 39 - HG12 ILE 15 lone 3 49 - 6 - HB3 LYS 39 - HD3 LYS 90 lone 3 60 - 4 - HB3 LYS 66 - HD3 LYS 90 lone 2 60 - 4 - HB3 GLU 104 - HD3 LYS 12 lone 2 98 - 2 - HB3 GLU 104 - HD2 LYS 12 lone 2 98 - 2 - HB3 LYS 68 - HG12 ILE 15 lone 2 45 - 4 - HB3 LYS 68 - HD2 LYS 13 lone 1 91 - 2 - HB3 LYS 68 - HD3 LYS 13 lone 1 89 - 2 - HB3 LYS 68 - HD3 LYS 24 lone 1 80 - 2 - HB3 LYS 68 - HD2 LYS 24 lone 1 76 - 2 - HB3 LYS 39 - HD3 LYS 24 lone 1 85 - 1 - HB3 LYS 39 - HD2 LYS 24 lone 1 81 - 1 - HB3 GLU 104 - HD3 LYS 24 lone 1 81 - 1 - HB VAL 5 - HD3 LYS 24 lone 1 85 - 1 - HB3 GLU 104 - HD2 LYS 24 lone 1 77 - 1 - HB3 GLU 104 - HD2 LYS 13 lone 0 92 - 1 - HB VAL 5 - HG12 ILE 15 lone 1 49 - 1 - HB VAL 5 - HD2 LYS 24 lone 0 80 - 1 - HB3 GLU 104 - HD3 LYS 13 lone 0 91 - 1 - HB3 GLU 104 - HG12 ILE 15 lone 0 46 - 1 - HB VAL 5 - HD3 LYS 90 lone 0 60 - 0 - Peak 451 from cnoeabs.peaks (1.87, 1.70, 29.09 ppm; 3.01 A): 4 out of 64 assignments used, quality = 1.00: HB3 LYS 12 + HD2 LYS 12 OK 88 100 - 88 - 3.6=59, 417/3.0=9...(49) * HB3 LYS 12 + HD3 LYS 12 OK 88 100 - 88 - 3.6=59, 417/3.0=9...(49) HB2 LYS 12 + HD2 LYS 12 OK 88 100 - 88 - 3.6=59, 417/3.0=9...(49) HB2 LYS 12 + HD3 LYS 12 OK 88 100 - 88 - 3.6=59, 417/3.0=9...(49) HB3 LYS 12 - HD2 LYS 13 OK 32 96 - 33 - 6165/6.0=2, 3.0/422=2...(9) HB2 LYS 12 - HD2 LYS 13 OK 31 96 - 33 - 6165/6.0=2, 3.0/422=2...(9) HB3 LYS 12 - HD3 LYS 13 OK 31 95 - 33 - 6165/6.0=2, 3.0/422=2...(9) HB2 LYS 12 - HD3 LYS 13 OK 31 94 - 33 - 6165/6.0=2, 3.0/422=2...(9) HB3 LYS 66 - HD3 LYS 12 OK 29 99 - 30 - 2904=3, 1.8/2892=3...(13) HB3 LYS 66 - HD2 LYS 12 OK 29 99 - 30 - 2904=3, 1.8/2892=3...(13) HB3 LYS 12 - HD3 LYS 24 OK 26 86 - 30 - 3.0/422=2, 411=1...(6) HB2 LYS 12 - HD3 LYS 24 OK 26 85 - 30 - 3.0/422=2, 399=1...(6) HB3 LYS 12 - HD2 LYS 24 OK 24 81 - 30 - 3.0/422=2, 410=1...(6) HB2 LYS 12 - HD2 LYS 24 OK 24 81 - 30 - 3.0/422=2, 399=1...(6) HB3 LYS 12 - HG12 ILE 15 OK 19 50 - 39 - 8466/2.1=5, ~392=4...(19) HB2 LYS 12 - HG12 ILE 15 OK 19 49 - 39 - 8466/2.1=5, ~392=4...(19) HB3 LYS 39 - HD2 LYS 12 OK 16 99 - 16 - 417/3.0=3, 428/3.0=2...(4) HB3 LYS 39 - HD3 LYS 12 OK 16 99 - 16 - 417/3.0=3, 428/3.0=2...(4) HB3 LYS 68 - HD3 LYS 90 OK 14 58 - 24 - ~3971=3, ~3941=3...(12) HB3 LYS 66 - HD3 LYS 24 OK 12 83 - 14 - 2904=2, 1.8/2892=1, 2904/1.8=1 HB3 LYS 66 - HD2 LYS 13 OK 11 94 - 12 - 2904=1, 2904/1.8=1, 1.8/2892=1 HB3 LYS 66 - HD3 LYS 13 OK 11 92 - 12 - 2904=1, 2904/1.8=1, 1.8/2892=1 HB3 LYS 66 - HD2 LYS 24 OK 11 78 - 14 - 2904=2, 1.8/2892=1, 2904/1.8=1 HB3 LYS 68 - HD3 LYS 12 lone 9 99 - 9 - 418/3.0=1, 429/3.0=1 HB3 LYS 68 - HD2 LYS 12 lone 9 99 - 9 - 418/3.0=1, 429/3.0=1 HB VAL 5 - HD2 LYS 13 lone 7 94 - 8 - ~12302=5 HB VAL 5 - HD3 LYS 13 lone 7 92 - 8 - ~12302=5 HB3 LYS 12 - HD3 LYS 90 poor 7 61 - 11 - ~392=1, ~3973=1 HB2 LYS 12 - HD3 LYS 90 poor 7 60 - 11 - ~392=1, ~3973=1 HB3 LYS 66 - HG12 ILE 15 lone 4 47 - 9 - HB3 GLU 104 - HD3 LYS 90 lone 4 59 - 7 - 4530/3.6=1 HB3 LYS 39 - HD2 LYS 13 lone 4 95 - 4 - HB3 LYS 39 - HD3 LYS 13 lone 4 93 - 4 - HB VAL 5 - HD3 LYS 12 lone 4 99 - 4 - 10193/3.0=1 HB VAL 5 - HD2 LYS 12 lone 4 99 - 4 - 10193/3.0=1 HB VAL 54 - HD2 LYS 12 lone 4 61 - 6 - HB VAL 54 - HD3 LYS 12 lone 4 61 - 6 - HB3 LYS 39 - HG12 ILE 15 lone 3 48 - 6 - HB3 LYS 39 - HD3 LYS 90 lone 3 59 - 4 - HB3 LYS 66 - HD3 LYS 90 lone 2 58 - 4 - HB VAL 54 - HD2 LYS 13 lone 2 55 - 4 - HB VAL 54 - HD3 LYS 13 lone 2 54 - 4 - HB3 GLU 104 - HD3 LYS 12 lone 2 99 - 2 - HB3 GLU 104 - HD2 LYS 12 lone 2 99 - 2 - HB3 LYS 68 - HG12 ILE 15 lone 2 47 - 4 - HB3 LYS 68 - HD2 LYS 13 lone 1 94 - 2 - HB3 LYS 68 - HD3 LYS 13 lone 1 92 - 2 - HB VAL 54 - HG12 ILE 15 lone 1 24 - 6 - 8466/2.1=1, 3.0/10651=1 HB3 LYS 68 - HD3 LYS 24 lone 1 83 - 2 - HB3 LYS 68 - HD2 LYS 24 lone 1 78 - 2 - HB3 LYS 39 - HD3 LYS 24 lone 1 84 - 1 - HB3 LYS 39 - HD2 LYS 24 lone 1 79 - 1 - HB3 GLU 104 - HD3 LYS 24 lone 1 84 - 1 - HB VAL 54 - HD3 LYS 24 lone 1 46 - 1 - HB3 GLU 104 - HD2 LYS 24 lone 1 79 - 1 - HB3 GLU 104 - HD2 LYS 13 lone 0 95 - 1 - HB VAL 54 - HD2 LYS 24 lone 1 43 - 1 - HB VAL 5 - HD3 LYS 24 lone 1 83 - 1 - HB3 GLU 104 - HD3 LYS 13 lone 0 93 - 1 - HB VAL 5 - HG12 ILE 15 lone 1 47 - 1 - HB VAL 5 - HD2 LYS 24 lone 0 78 - 1 - HB VAL 54 - HD3 LYS 90 lone 0 30 - 2 - HB3 GLU 104 - HG12 ILE 15 lone 0 48 - 1 - HB VAL 5 - HD3 LYS 90 lone 0 58 - 1 - Peak 452 from cnoeabs.peaks (1.45, 1.70, 29.09 ppm; 2.79 A): 4 out of 128 assignments used, quality = 1.00: * HG2 LYS 12 + HD3 LYS 12 OK 94 100 - 94 - 3.0=82, 423/3.0=9...(34) HG2 LYS 12 + HD2 LYS 12 OK 94 100 - 94 - 3.0=82, 423/3.0=9...(34) HG2 LYS 13 + HD2 LYS 13 OK 64 70 - 92 - 3.0=84, 1.8/535=6...(18) HG2 LYS 13 + HD3 LYS 13 OK 63 68 - 92 - 3.0=84, 1.8/535=6...(18) HG2 LYS 12 - HD2 LYS 13 OK 32 96 - 34 - 422=4, 421/1.8=3...(8) HG2 LYS 12 - HD3 LYS 13 OK 32 95 - 34 - 421=4, 421/1.8=3...(8) HG2 LYS 13 - HD2 LYS 12 OK 26 77 - 35 - 524=3, 463/3.0=3...(8) HG2 LYS 13 - HD3 LYS 12 OK 26 77 - 35 - 524=3, 463/3.0=3...(8) HG2 LYS 12 - HD3 LYS 24 OK 24 86 - 28 - 421=3, 420/3.0=2...(7) HG2 LYS 12 - HD2 LYS 24 OK 23 81 - 28 - 421=3, 420/3.0=2...(7) HG3 LYS 39 - HD2 LYS 12 OK 19 99 - 19 - 1716/3.6=3, 1716/3.6=2...(5) HG3 LYS 39 - HD3 LYS 12 OK 19 99 - 19 - 1716/3.6=3, 1716/3.6=2...(5) HG2 LYS 13 - HD3 LYS 24 OK 15 60 - 25 - 524=2, 1.8/535=1...(4) HG2 LYS 13 - HD2 LYS 24 OK 14 56 - 25 - 524=2, 1.8/535=1...(4) HG2 LYS 12 - HG12 ILE 15 OK 11 50 - 23 - 8468/2.1=3, 421=3...(9) HB2 LEU 27 - HD2 LYS 12 OK 10 87 - 12 - 1192/3.0=1, ~10392=1 HB2 LEU 27 - HD3 LYS 12 OK 10 87 - 12 - 1192/3.0=1, ~10392=1 HG LEU 29 - HD2 LYS 12 OK 10 92 - 11 - 430/3.0=1 HG LEU 29 - HD3 LYS 12 OK 10 92 - 11 - 430/3.0=1 HG2 LYS 12 - HD3 LYS 90 poor 9 61 - 14 - 421=2, ~3973=2, 420/2.9=1 HG13 ILE 76 - HD2 LYS 13 lone 6 87 - 7 - ~10394=1 HG13 ILE 76 - HD3 LYS 13 lone 6 85 - 7 - ~10394=1 HG LEU 29 - HG12 ILE 15 poor 5 41 - 13 - ~8469=4, ~10501=2...(6) HG2 LYS 53 - HD3 LYS 90 poor 5 33 - 16 - ~3971=2, 3.0/2396=1, ~9187=1 HD2 LYS 82 - HG12 ILE 15 poor 5 34 - 15 - ~8462=4, ~8463=3...(7) HD2 LYS 53 - HD3 LYS 90 poor 5 42 - 12 - 2439/3.6=2, ~3976=1...(6) HG13 ILE 76 - HD2 LYS 12 lone 5 94 - 5 - HG13 ILE 76 - HD3 LYS 12 lone 5 94 - 5 - HG2 LYS 13 - HG12 ILE 15 poor 5 32 - 15 - ~10852=2, 517/4.6=1...(5) QB ALA 22 - HD2 LYS 12 lone 5 92 - 5 - QB ALA 22 - HD3 LYS 12 lone 5 92 - 5 - HG13 ILE 52 - HD3 LYS 12 lone 4 87 - 5 - HG13 ILE 52 - HD2 LYS 12 lone 4 87 - 5 - HG3 LYS 39 - HD2 LYS 13 lone 4 95 - 5 - 1713/6.0=1 HB2 LEU 38 - HD3 LYS 12 lone 4 92 - 5 - HB2 LEU 38 - HD2 LYS 12 lone 4 92 - 5 - HG3 LYS 39 - HD3 LYS 13 lone 4 93 - 5 - 1713/6.0=1 HG3 ARG 91 - HD2 LYS 12 lone 3 97 - 3 - HG3 ARG 91 - HD3 LYS 12 lone 3 97 - 3 - HG13 ILE 76 - HG12 ILE 15 lone 3 42 - 8 - ~10118=1, 8468/2.1=1 HG13 ILE 76 - HD3 LYS 90 lone 3 52 - 6 - 10285/2.9=2, ~10883=1 HB2 LEU 38 - HD2 LYS 13 lone 3 85 - 3 - HB2 LEU 38 - HD3 LYS 13 lone 3 83 - 3 - HG LEU 29 - HD3 LYS 90 lone 3 51 - 6 - 10285/2.9=1 HB2 LEU 38 - HG12 ILE 15 lone 3 41 - 6 - HG3 LYS 39 - HG12 ILE 15 lone 3 48 - 5 - 1713/4.6=1 HG3 ARG 91 - HD3 LYS 90 lone 3 56 - 5 - 4.8/7438=2 QB ALA 22 - HD3 LYS 24 lone 2 74 - 3 - 8589/6.3=2 HG13 ILE 76 - HD3 LYS 24 lone 2 76 - 3 - HG3 ARG 91 - HD3 LYS 13 lone 2 89 - 3 - QB ALA 22 - HD2 LYS 24 lone 2 69 - 3 - 8589/6.3=2 HG3 ARG 91 - HD2 LYS 13 lone 2 91 - 2 - HG13 ILE 76 - HD2 LYS 24 lone 2 72 - 3 - HG LEU 38 - HD3 LYS 12 lone 2 81 - 3 - HG LEU 38 - HD2 LYS 12 lone 2 81 - 3 - HD2 LYS 40 - HD3 LYS 12 lone 2 61 - 3 - HD2 LYS 40 - HD2 LYS 12 lone 2 61 - 3 - HG13 ILE 52 - HD2 LYS 13 lone 2 80 - 2 - HG LEU 29 - HD2 LYS 13 lone 2 85 - 2 - HB2 LEU 27 - HG12 ILE 15 lone 2 37 - 5 - 1194/2.1=1 HG13 ILE 52 - HD3 LYS 13 lone 2 78 - 2 - HG LEU 29 - HD3 LYS 13 lone 2 83 - 2 - HD2 LYS 53 - HD2 LYS 12 lone 2 81 - 2 - HD2 LYS 53 - HD3 LYS 12 lone 2 81 - 2 - QB ALA 22 - HD2 LYS 13 lone 2 85 - 2 - HG3 ARG 91 - HD3 LYS 24 lone 2 80 - 2 - QB ALA 22 - HD3 LYS 13 lone 2 83 - 2 - HD2 LYS 53 - HD3 LYS 24 lone 2 63 - 2 - HG3 ARG 91 - HD2 LYS 24 lone 2 76 - 2 - HD2 LYS 53 - HD2 LYS 24 lone 2 59 - 2 - HG3 LYS 39 - HD3 LYS 90 lone 2 59 - 3 - HG2 LYS 53 - HD2 LYS 12 lone 1 65 - 2 - HG2 LYS 53 - HD3 LYS 12 lone 1 65 - 2 - HG13 ILE 52 - HD3 LYS 24 lone 1 69 - 2 - HG LEU 38 - HG12 ILE 15 lone 1 34 - 4 - QB ALA 22 - HG12 ILE 15 lone 1 41 - 3 - HG13 ILE 52 - HD2 LYS 24 lone 1 64 - 2 - HG LEU 38 - HD2 LYS 13 lone 1 73 - 2 - HG LEU 38 - HD3 LYS 13 lone 1 72 - 2 - HB2 LEU 27 - HD3 LYS 24 lone 1 69 - 2 - HG3 LYS 39 - HD3 LYS 24 lone 1 84 - 1 - HB2 LEU 27 - HD2 LYS 24 lone 1 64 - 2 - HG2 LYS 13 - HD3 LYS 90 lone 1 40 - 3 - HG2 LYS 20 - HD3 LYS 12 lone 1 87 - 1 - HG2 LYS 20 - HD2 LYS 12 lone 1 87 - 1 - HG3 LYS 39 - HD2 LYS 24 lone 1 79 - 1 - HG3 ARG 91 - HG12 ILE 15 lone 1 45 - 2 - HG2 LYS 53 - HD3 LYS 24 lone 1 50 - 2 - HG LEU 29 - HD3 LYS 24 lone 1 74 - 1 - HB2 LEU 27 - HD2 LYS 13 lone 1 80 - 1 - HB2 LEU 27 - HD3 LYS 13 lone 1 78 - 1 - HG2 LYS 53 - HD2 LYS 24 lone 1 46 - 2 - HG LEU 29 - HD2 LYS 24 lone 1 69 - 1 - HG13 ILE 52 - HG12 ILE 15 lone 1 37 - 2 - HD2 LYS 82 - HD3 LYS 12 lone 1 81 - 1 - HD2 LYS 82 - HD2 LYS 12 lone 1 81 - 1 - HG2 LYS 20 - HG12 ILE 15 lone 1 37 - 2 - HB2 LEU 27 - HD3 LYS 90 lone 1 47 - 2 - HD2 LYS 40 - HG12 ILE 15 lone 1 24 - 3 - HB2 LEU 38 - HD3 LYS 90 lone 1 51 - 1 - HB2 LEU 38 - HD3 LYS 24 lone 1 74 - 1 - HD2 LYS 53 - HD2 LYS 13 lone 1 73 - 1 - HB2 LEU 38 - HD2 LYS 24 lone 1 69 - 1 - HD2 LYS 53 - HD3 LYS 13 lone 1 72 - 1 - QB ALA 22 - HD3 LYS 90 lone 1 51 - 1 - HD2 LYS 40 - HD2 LYS 13 lone 1 55 - 1 - HG2 LYS 20 - HD2 LYS 13 lone 1 80 - 1 - HD2 LYS 40 - HD3 LYS 13 lone 1 54 - 1 - HG2 LYS 20 - HD3 LYS 13 lone 0 78 - 1 - HD2 LYS 53 - HG12 ILE 15 lone 1 34 - 2 - HG2 LYS 53 - HD2 LYS 13 lone 0 59 - 1 - HG LEU 38 - HD3 LYS 24 lone 0 63 - 1 - HG2 LYS 53 - HD3 LYS 13 lone 0 57 - 1 - HG13 ILE 52 - HD3 LYS 90 lone 0 47 - 1 - HD2 LYS 40 - HD3 LYS 24 lone 0 46 - 1 - HG2 LYS 53 - HG12 ILE 15 lone 0 26 - 2 - HG LEU 38 - HD2 LYS 24 lone 0 59 - 1 - HD2 LYS 40 - HD2 LYS 24 lone 0 43 - 1 - HD2 LYS 82 - HD3 LYS 90 lone 0 42 - 1 - HG2 LYS 20 - HD3 LYS 24 lone 0 69 - 1 - HG2 LYS 20 - HD2 LYS 24 lone 0 64 - 1 - HG LEU 38 - HD3 LYS 90 lone 0 42 - 1 - HD2 LYS 82 - HD2 LYS 13 lone 0 73 - 0 - HD2 LYS 82 - HD3 LYS 13 lone 0 72 - 0 - HG2 LYS 20 - HD3 LYS 90 lone 0 47 - 1 - HD2 LYS 82 - HD3 LYS 24 lone 0 63 - 0 - HD2 LYS 40 - HD3 LYS 90 lone 0 30 - 1 - HD2 LYS 82 - HD2 LYS 24 lone 0 59 - 0 - Peak 453 from cnoeabs.peaks (1.59, 1.70, 29.09 ppm; 2.40 A): 4 out of 104 assignments used, quality = 0.99: * HG3 LYS 12 + HD3 LYS 12 OK 76 100 - 76 - 3.0=52, 1.8/421=7...(22) HG3 LYS 12 + HD2 LYS 12 OK 76 100 - 76 - 3.0=52, 1.8/422=7...(22) HG2 LYS 24 + HD3 LYS 24 OK 57 78 - 73 - 3.0=54, 1.8/1102=7...(16) HG2 LYS 24 + HD2 LYS 24 OK 54 74 - 73 - 3.0=54, 1.8/1102=7...(16) HG3 LYS 90 - HD3 LYS 90 OK 36 51 - 71 - 2.9=54, 4006/3.0=6...(19) HD2 LYS 66 - HD3 LYS 12 OK 23 97 - 24 - 2937=4, 2937/1.8=2...(7) HD2 LYS 66 - HD2 LYS 12 OK 23 97 - 24 - 2937=4, 2937/1.8=2...(7) HG3 LYS 12 - HD2 LYS 13 OK 22 96 - 23 - 1.8/421=2, 433=2...(7) HG3 LYS 12 - HD3 LYS 13 OK 21 95 - 23 - 1.8/422=2, 432=2...(7) HG2 LYS 24 - HD2 LYS 12 OK 21 96 - 22 - 464/3.0=2, 1.8/1102=2...(4) HG2 LYS 24 - HD3 LYS 12 OK 21 96 - 22 - 464/3.0=2, 1.8/1102=2...(4) HG3 LYS 12 - HD3 LYS 24 OK 17 86 - 20 - 1.8/421=2, 432=1, 1099/3.0=1 HG3 LYS 12 - HD2 LYS 24 OK 16 81 - 20 - 1.8/422=2, 433=1, 1099/3.0=1 HG2 LYS 24 - HD2 LYS 13 OK 15 89 - 17 - 1.8/1102=2, 1091=1 HG2 LYS 24 - HD3 LYS 13 OK 15 87 - 17 - 1.8/1102=2, 1091=1 HG3 LYS 90 - HD3 LYS 12 OK 14 92 - 16 - 1.8/3953=1, 2.9/3975=1 HG3 LYS 90 - HD2 LYS 12 OK 14 92 - 16 - 1.8/3953=1, 2.9/3975=1 HG3 LYS 73 - HD3 LYS 24 OK 14 84 - 17 - 1099/3.0=1, 433=1 HG3 LYS 73 - HD2 LYS 24 OK 13 79 - 17 - 1099/3.0=1, 432=1 HG3 LYS 73 - HD2 LYS 13 OK 13 95 - 14 - HG3 LYS 73 - HD3 LYS 13 OK 13 93 - 14 - HG3 LYS 90 - HD3 LYS 24 OK 12 74 - 16 - 1099/3.0=1, 1.8/3953=1 HG3 LYS 90 - HD2 LYS 24 OK 11 69 - 16 - 1099/3.0=1, 1.8/3953=1 HG3 LYS 73 - HD3 LYS 12 OK 10 99 - 10 - 420/3.0=1 HG3 LYS 73 - HD2 LYS 12 OK 10 99 - 10 - 420/3.0=1 HG LEU 27 - HD3 LYS 12 lone 9 99 - 10 - 420/3.0=1 HG LEU 27 - HD2 LYS 12 lone 9 99 - 10 - 420/3.0=1 HB3 LEU 29 - HD2 LYS 12 lone 9 100 - 9 - 420/3.0=1 HB3 LEU 29 - HD3 LYS 12 lone 9 100 - 9 - 420/3.0=1 HG3 LYS 12 - HG12 ILE 15 poor 8 50 - 17 - 10853/2.1=2, 3.7/387=2...(8) HG2 LYS 24 - HD3 LYS 90 poor 8 54 - 15 - 3973/1.8=2, 3951/2.9=2...(7) HG3 LYS 90 - HG12 ILE 15 poor 8 41 - 20 - 2.9/3975=2, 3963/2.9=2...(10) HD2 LYS 66 - HD2 LYS 13 lone 8 91 - 8 - 2937=1 HD2 LYS 66 - HD3 LYS 13 lone 7 89 - 8 - 2937=1 HG3 LYS 12 - HD3 LYS 90 poor 7 61 - 11 - 3973/1.8=1, 4006/3.0=1 HD2 LYS 66 - HD3 LYS 24 lone 7 80 - 8 - 2937=1 HD2 LYS 66 - HD2 LYS 24 lone 6 76 - 8 - 2937=1 HB2 ARG 30 - HD3 LYS 90 lone 5 52 - 10 - 1324/2.9=2, ~3972=1, ~1333=1 HD3 LYS 94 - HD3 LYS 90 lone 3 59 - 6 - HD3 LYS 94 - HD3 LYS 12 lone 3 99 - 3 - HD3 LYS 94 - HD2 LYS 12 lone 3 99 - 3 - HB3 LEU 29 - HG12 ILE 15 lone 3 49 - 7 - ~8469=2, ~8467=1 HG3 LYS 90 - HD2 LYS 13 lone 3 85 - 3 - HG3 LYS 90 - HD3 LYS 13 lone 3 83 - 3 - HB3 LEU 29 - HD3 LYS 90 lone 3 60 - 5 - HD2 LYS 66 - HD3 LYS 90 lone 3 56 - 5 - HG3 LYS 73 - HD3 LYS 90 lone 2 59 - 4 - HD3 LYS 94 - HD2 LYS 13 lone 2 95 - 2 - HD3 LYS 94 - HD3 LYS 13 lone 2 93 - 2 - HB2 LEU 103 - HD3 LYS 90 lone 2 52 - 4 - HD2 LYS 66 - HG12 ILE 15 lone 2 45 - 5 - HB2 LEU 103 - HD3 LYS 24 lone 2 76 - 3 - HB2 LEU 103 - HD2 LYS 24 lone 2 72 - 3 - HG LEU 27 - HG12 ILE 15 lone 2 48 - 4 - HG LEU 103 - HD3 LYS 24 lone 2 69 - 3 - HG LEU 103 - HD3 LYS 90 lone 2 47 - 4 - HG LEU 103 - HD2 LYS 24 lone 2 64 - 3 - HG2 ARG 19 - HG12 ILE 15 lone 2 42 - 4 - HB3 LEU 29 - HD2 LYS 13 lone 2 96 - 2 - HB3 LEU 29 - HD3 LYS 13 lone 2 94 - 2 - HG2 ARG 19 - HD3 LYS 90 lone 2 52 - 3 - HD3 LYS 94 - HD3 LYS 24 lone 1 84 - 2 - HG LEU 27 - HD3 LYS 24 lone 1 84 - 2 - HG2 ARG 19 - HD3 LYS 12 lone 1 94 - 1 - HG2 ARG 19 - HD2 LYS 12 lone 1 94 - 1 - HD3 LYS 94 - HD2 LYS 24 lone 1 79 - 2 - HG LEU 27 - HD2 LYS 24 lone 1 79 - 2 - HG2 LYS 24 - HG12 ILE 15 lone 1 44 - 3 - HG LEU 27 - HD3 LYS 90 lone 1 59 - 2 - HB2 LEU 103 - HD3 LYS 12 lone 1 94 - 1 - HB2 LEU 103 - HD2 LYS 12 lone 1 94 - 1 - HB2 ARG 30 - HD3 LYS 12 lone 1 94 - 1 - HB2 ARG 30 - HD2 LYS 12 lone 1 94 - 1 - HG LEU 27 - HD2 LYS 13 lone 1 95 - 1 - HG LEU 27 - HD3 LYS 13 lone 1 93 - 1 - HG3 LYS 73 - HG12 ILE 15 lone 1 48 - 2 - HB3 LEU 29 - HD3 LYS 24 lone 1 85 - 1 - HB3 LEU 29 - HD2 LYS 24 lone 1 81 - 1 - HG LEU 103 - HD3 LYS 12 lone 1 87 - 1 - HG LEU 103 - HD2 LYS 12 lone 1 87 - 1 - HG2 ARG 19 - HD2 LYS 13 lone 1 87 - 1 - HG2 ARG 19 - HD3 LYS 24 lone 1 76 - 1 - HG2 ARG 19 - HD3 LYS 13 lone 1 85 - 1 - HB2 ARG 79 - HD3 LYS 12 lone 1 98 - 1 - HB2 ARG 79 - HD2 LYS 12 lone 1 98 - 1 - HG2 ARG 19 - HD2 LYS 24 lone 1 72 - 1 - HD3 LYS 94 - HG12 ILE 15 lone 1 48 - 1 - HB2 ARG 30 - HG12 ILE 15 lone 1 42 - 1 - HB2 ARG 30 - HD3 LYS 24 lone 0 76 - 1 - HB2 LEU 103 - HD2 LYS 13 lone 0 87 - 0 - HB2 ARG 79 - HD3 LYS 90 lone 0 57 - 1 - HB2 ARG 30 - HD2 LYS 13 lone 0 87 - 0 - HB2 ARG 30 - HD2 LYS 24 lone 0 72 - 1 - HB2 LEU 103 - HD3 LYS 13 lone 0 85 - 0 - HB2 ARG 30 - HD3 LYS 13 lone 0 85 - 0 - HB2 LEU 103 - HG12 ILE 15 lone 0 42 - 1 - HB2 ARG 79 - HD3 LYS 24 lone 0 81 - 0 - HG LEU 103 - HD2 LYS 13 lone 0 80 - 0 - HB2 ARG 79 - HD2 LYS 24 lone 0 77 - 0 - HB2 ARG 79 - HD2 LYS 13 lone 0 92 - 0 - HG LEU 103 - HD3 LYS 13 lone 0 78 - 0 - HB2 ARG 79 - HD3 LYS 13 lone 0 91 - 0 - HG LEU 103 - HG12 ILE 15 lone 0 37 - 1 - HB2 ARG 79 - HG12 ILE 15 lone 0 46 - 0 - Peak 454 from cnoeabs.peaks (1.70, 1.70, 29.09 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HD3 LYS 12 + HD3 LYS 12 OK 100 100 - 100 HD2 LYS 12 + HD2 LYS 12 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 96 96 - 100 HD3 LYS 13 + HD3 LYS 13 OK 94 94 - 100 HD3 LYS 24 + HD3 LYS 24 OK 84 84 - 100 HD2 LYS 24 + HD2 LYS 24 OK 78 78 - 100 HD3 LYS 90 + HD3 LYS 90 OK 59 59 - 100 HG12 ILE 15 + HG12 ILE 15 OK 45 45 - 100 Reference assignment not found: HD2 LYS 12 - HD3 LYS 12 Peak 455 from cnoeabs.peaks (1.70, 1.70, 29.09 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HD3 LYS 12 + HD3 LYS 12 OK 100 100 - 100 HD2 LYS 12 + HD2 LYS 12 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 96 96 - 100 HD3 LYS 13 + HD3 LYS 13 OK 94 94 - 100 HD3 LYS 24 + HD3 LYS 24 OK 84 84 - 100 HD2 LYS 24 + HD2 LYS 24 OK 78 78 - 100 HD3 LYS 90 + HD3 LYS 90 OK 59 59 - 100 HG12 ILE 15 + HG12 ILE 15 OK 45 45 - 100 Peak 456 from cnoeabs.peaks (3.01, 1.70, 29.09 ppm; 3.18 A): 2 out of 40 assignments used, quality = 1.00: * HE2 LYS 12 + HD3 LYS 12 OK 100 100 - 100 - 3.0=100 HE2 LYS 12 + HD2 LYS 12 OK 100 100 - 100 - 3.0=100 HE2 LYS 12 - HD2 LYS 13 OK 35 96 - 37 - 465=4, 463/3.0=4...(10) HE2 LYS 12 - HD3 LYS 13 OK 35 95 - 37 - 465=4, 463/3.0=4...(10) HE2 LYS 12 - HD3 LYS 24 OK 28 86 - 33 - 464/3.0=4, 465=4...(7) HE2 LYS 12 - HD2 LYS 24 OK 27 81 - 33 - 464/3.0=4, 466=4...(7) HB3 ASP 11 - HD2 LYS 12 OK 12 84 - 15 - 423/3.0=3, 4.5/6157=2...(7) HB3 ASP 11 - HD3 LYS 12 OK 12 84 - 15 - 423/3.0=3, 4.5/6157=2...(7) HE2 LYS 12 - HG12 ILE 15 OK 11 50 - 22 - 8445/2.1=4, 8451/4.1=3...(8) HB2 SER 9 - HD2 LYS 12 poor 9 73 - 13 - 1.8/8326=1, 423/3.0=1...(6) HB2 SER 9 - HD3 LYS 12 poor 9 73 - 13 - 1.8/8326=1, 423/3.0=1...(6) HB2 SER 9 - HG12 ILE 15 poor 9 30 - 30 - ~10417=7, ~8442=7...(8) HE2 LYS 12 - HD3 LYS 90 poor 7 61 - 12 - 465=1, 464/2.9=1, ~3975=1 HE2 LYS 33 - HD2 LYS 13 lone 7 77 - 9 - 1495/3.0=1 HE3 LYS 33 - HD2 LYS 13 lone 7 77 - 9 - 1495/3.0=1 HE2 LYS 33 - HD3 LYS 13 lone 7 75 - 9 - 1506/3.0=1 HE3 LYS 33 - HD3 LYS 13 lone 7 75 - 9 - 1506/3.0=1 HB3 ASP 11 - HG12 ILE 15 poor 6 36 - 18 - ~8448=5, 8445/2.1=5...(6) HE2 LYS 33 - HD2 LYS 12 lone 6 84 - 7 - 423/3.0=1 HE2 LYS 33 - HD3 LYS 12 lone 6 84 - 7 - 423/3.0=1 HE3 LYS 33 - HD3 LYS 12 lone 6 84 - 7 - 423/3.0=1 HE3 LYS 33 - HD2 LYS 12 lone 6 84 - 7 - 423/3.0=1 HB3 ASP 11 - HD2 LYS 13 lone 5 77 - 6 - 6171/6.0=2, 8365/3.6=1 HB3 ASP 11 - HD3 LYS 13 lone 5 75 - 6 - 6171/6.0=2, 8365/3.6=1 HB2 SER 9 - HD2 LYS 13 lone 4 66 - 6 - HB2 SER 9 - HD3 LYS 13 lone 4 65 - 6 - HE3 LYS 33 - HD3 LYS 24 lone 4 66 - 6 - HE2 LYS 33 - HD3 LYS 24 lone 4 66 - 6 - HE3 LYS 33 - HD2 LYS 24 lone 4 62 - 6 - HE2 LYS 33 - HD2 LYS 24 lone 4 62 - 6 - HE3 LYS 33 - HG12 ILE 15 lone 2 36 - 7 - 8451/4.1=2 HE2 LYS 33 - HG12 ILE 15 lone 2 36 - 7 - 8451/4.1=2 HB2 SER 9 - HD3 LYS 24 lone 2 56 - 3 - HB2 SER 9 - HD2 LYS 24 lone 2 53 - 3 - HB3 ASP 11 - HD3 LYS 24 lone 2 66 - 3 - HB3 ASP 11 - HD2 LYS 24 lone 2 62 - 3 - HE3 LYS 33 - HD3 LYS 90 lone 1 44 - 3 - HE2 LYS 33 - HD3 LYS 90 lone 1 44 - 3 - HB3 ASP 11 - HD3 LYS 90 lone 1 44 - 2 - HB2 SER 9 - HD3 LYS 90 lone 1 37 - 2 - Peak 457 from cnoeabs.peaks (2.96, 1.70, 29.09 ppm; 3.01 A): 10 out of 96 assignments used, quality = 1.00: * HE3 LYS 12 + HD3 LYS 12 OK 100 100 - 100 - 3.0=100 HE3 LYS 12 + HD2 LYS 12 OK 100 100 - 100 - 3.0=100 HE2 LYS 13 + HD2 LYS 13 OK 94 94 - 100 - 2.9=100 HE2 LYS 13 + HD3 LYS 13 OK 92 92 - 100 - 2.9=100 HE3 LYS 13 + HD2 LYS 13 OK 91 91 - 100 - 2.9=100 HE3 LYS 13 + HD3 LYS 13 OK 89 89 - 100 - 2.9=100 HE3 LYS 24 + HD3 LYS 24 OK 85 85 - 100 - 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 85 85 - 100 - 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 80 80 - 100 - 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 80 80 - 100 - 3.0=100 HE2 LYS 13 - HD2 LYS 12 OK 30 99 - 31 - 468/3.0=2, 424/3.0=2...(8) HE2 LYS 13 - HD3 LYS 12 OK 30 99 - 31 - 468/3.0=2, 424/3.0=2...(8) HE3 LYS 13 - HD2 LYS 12 OK 29 97 - 31 - 468/3.0=2, 424/3.0=2...(8) HE3 LYS 13 - HD3 LYS 12 OK 29 97 - 31 - 468/3.0=2, 424/3.0=2...(8) HE3 LYS 24 - HD2 LYS 12 OK 27 100 - 27 - 468/3.0=3, 424/3.0=2...(6) HE3 LYS 24 - HD3 LYS 12 OK 27 100 - 27 - 468/3.0=3, 424/3.0=2...(6) HE2 LYS 24 - HD3 LYS 12 OK 27 100 - 27 - 468/3.0=3, 424/3.0=2...(6) HE2 LYS 24 - HD2 LYS 12 OK 27 100 - 27 - 468/3.0=3, 424/3.0=2...(6) HE3 LYS 12 - HD2 LYS 13 OK 25 96 - 26 - 1.8/465=3, ~463=2...(9) HE3 LYS 12 - HD3 LYS 13 OK 25 95 - 26 - 1.8/466=3, ~463=2...(9) HE3 LYS 12 - HD3 LYS 24 OK 21 86 - 24 - 1.8/466=3, ~464=2...(8) HE3 LYS 12 - HD2 LYS 24 OK 20 81 - 24 - 1.8/466=3, ~464=2...(10) HE2 LYS 24 - HD2 LYS 13 OK 19 95 - 21 - 525/3.0=2, 3.7/1102=1...(4) HE3 LYS 24 - HD2 LYS 13 OK 19 95 - 21 - 525/3.0=2, 3.7/1102=1...(4) HE3 LYS 24 - HD3 LYS 13 OK 19 94 - 21 - 525/3.0=2, 3.7/1102=1...(4) HE2 LYS 24 - HD3 LYS 13 OK 19 94 - 21 - 525/3.0=2, 3.7/1102=1...(4) HE2 LYS 13 - HD3 LYS 24 OK 17 83 - 21 - 1104/3.0=2, 3.8/524=1 HE3 LYS 13 - HD3 LYS 24 OK 16 80 - 21 - 1103/3.0=2, 3.8/524=1 HE2 LYS 13 - HD2 LYS 24 OK 16 78 - 21 - 1103/3.0=2, 3.8/524=1 HE3 LYS 13 - HD2 LYS 24 OK 15 76 - 21 - 1104/3.0=2, 3.8/524=1 HE2 LYS 47 - HD3 LYS 13 OK 12 85 - 14 - 2205/3.0=1, 525/3.0=1 HE3 LYS 47 - HD3 LYS 13 OK 12 85 - 14 - 2205/3.0=1, 525/3.0=1 HE3 LYS 47 - HD2 LYS 13 OK 12 87 - 14 - 2205/3.0=1, 525/3.0=1 HE2 LYS 47 - HD2 LYS 13 OK 12 87 - 14 - 2205/3.0=1, 525/3.0=1 HE3 LYS 12 - HG12 ILE 15 OK 11 50 - 22 - ~8445=4, ~10392=3...(8) HE2 LYS 47 - HD3 LYS 24 poor 10 76 - 13 - 12306/4.9=1 HE3 LYS 47 - HD3 LYS 24 poor 10 76 - 13 - 12306/4.9=1 HE3 LYS 47 - HD2 LYS 24 poor 9 72 - 13 - 12306/4.9=1 HE2 LYS 47 - HD2 LYS 24 poor 9 72 - 13 - 12306/4.9=1 HE2 LYS 73 - HD3 LYS 24 poor 7 63 - 12 - 1103/3.0=1 HE2 LYS 73 - HD2 LYS 24 poor 7 59 - 12 - 1103/3.0=1 HE3 LYS 12 - HD3 LYS 90 lone 6 61 - 9 - HE3 LYS 73 - HD3 LYS 24 poor 6 46 - 12 - HE2 LYS 73 - HD2 LYS 13 lone 5 73 - 7 - HE2 LYS 73 - HD3 LYS 13 lone 5 72 - 7 - HE3 LYS 73 - HD2 LYS 24 poor 5 43 - 12 - HE2 LYS 73 - HD3 LYS 12 lone 5 81 - 6 - HE2 LYS 73 - HD2 LYS 12 lone 5 81 - 6 - HE2 LYS 47 - HD2 LYS 12 lone 5 94 - 5 - HE2 LYS 47 - HD3 LYS 12 lone 5 94 - 5 - HE3 LYS 47 - HD3 LYS 12 lone 5 94 - 5 - HE3 LYS 47 - HD2 LYS 12 lone 5 94 - 5 - HE3 LYS 73 - HD2 LYS 13 lone 4 55 - 8 - HE3 LYS 73 - HD3 LYS 13 lone 4 54 - 8 - HE2 LYS 24 - HD3 LYS 90 lone 4 60 - 7 - HE3 LYS 24 - HD3 LYS 90 lone 4 60 - 7 - HE3 LYS 73 - HD3 LYS 12 lone 4 61 - 6 - HE3 LYS 73 - HD2 LYS 12 lone 4 61 - 6 - HE2 LYS 13 - HG12 ILE 15 lone 4 47 - 8 - HE3 LYS 13 - HG12 ILE 15 lone 4 45 - 8 - HE2 LYS 73 - HD3 LYS 90 lone 3 42 - 6 - ~3977=1 HB3 PHE 45 - HG12 ILE 15 lone 2 49 - 5 - ~8444=1, ~8445=1 HB3 PHE 45 - HD3 LYS 12 lone 2 100 - 2 - HB3 PHE 45 - HD2 LYS 12 lone 2 100 - 2 - HE3 LYS 73 - HD3 LYS 90 lone 2 30 - 5 - ~3977=1 HE2 LYS 24 - HG12 ILE 15 lone 2 49 - 3 - HE3 LYS 24 - HG12 ILE 15 lone 2 49 - 3 - HE2 LYS 13 - HD3 LYS 90 lone 2 58 - 3 - HB3 PHE 45 - HD2 LYS 13 lone 1 96 - 2 - HB3 PHE 45 - HD3 LYS 13 lone 1 94 - 2 - HE3 LYS 13 - HD3 LYS 90 lone 1 56 - 3 - HB2 ASN 51 - HD2 LYS 13 lone 1 55 - 2 - HB2 ASN 51 - HD3 LYS 13 lone 1 54 - 2 - HB3 PHE 45 - HD3 LYS 24 lone 1 85 - 1 - HB3 PHE 45 - HD2 LYS 24 lone 1 81 - 1 - HB2 PHE 45 - HD3 LYS 12 lone 1 65 - 1 - HB2 PHE 45 - HD2 LYS 12 lone 1 65 - 1 - HE2 LYS 47 - HG12 ILE 15 lone 1 42 - 2 - HE3 LYS 47 - HG12 ILE 15 lone 1 42 - 2 - HB2 PHE 45 - HD2 LYS 13 lone 1 59 - 1 - HB2 PHE 45 - HG12 ILE 15 lone 1 26 - 3 - HE3 LYS 47 - HD3 LYS 90 lone 1 52 - 1 - HE2 LYS 47 - HD3 LYS 90 lone 1 52 - 1 - HB2 PHE 45 - HD3 LYS 13 lone 1 57 - 1 - HB3 PHE 45 - HD3 LYS 90 lone 1 60 - 1 - HB2 ASN 51 - HD3 LYS 24 lone 1 46 - 1 - HB2 ASN 51 - HD2 LYS 24 lone 1 43 - 1 - HB2 PHE 45 - HD3 LYS 24 lone 1 50 - 1 - HB2 ASN 51 - HD2 LYS 12 lone 0 61 - 1 - HB2 ASN 51 - HD3 LYS 12 lone 0 61 - 1 - HB2 PHE 45 - HD2 LYS 24 lone 0 46 - 1 - HB2 ASN 51 - HD3 LYS 90 lone 0 30 - 1 - HE2 LYS 73 - HG12 ILE 15 lone 0 34 - 1 - HB2 PHE 45 - HD3 LYS 90 lone 0 33 - 1 - HE3 LYS 73 - HG12 ILE 15 lone 0 24 - 1 - HB2 ASN 51 - HG12 ILE 15 lone 0 24 - 1 - Peak 458 from cnoeabs.peaks (8.07, 1.70, 29.09 ppm; 3.48 A): 4 out of 48 assignments used, quality = 0.98: H LYS 13 + HD2 LYS 13 OK 68 96 - 70 - 6.0=19, 517/3.0=11...(24) H LYS 13 + HD3 LYS 13 OK 66 95 - 70 - 6.0=19, 517/3.0=11...(24) H LYS 13 + HD2 LYS 12 OK 61 100 - 61 - 425/3.0=10, 6165/3.6=9...(21) * H LYS 13 + HD3 LYS 12 OK 61 100 - 61 - 425/3.0=10, 6165/3.6=9...(21) H ILE 15 - HG12 ILE 15 OK 41 49 - 83 - 4.6=42, 6217/2.9=17...(14) H ILE 15 - HD2 LYS 13 OK 37 96 - 39 - 517/3.0=7, 6208/5.5=5...(15) H ILE 15 - HD2 LYS 12 OK 37 100 - 37 - 425/3.0=5, 6219=4...(17) H ILE 15 - HD3 LYS 12 OK 37 100 - 37 - 425/3.0=5, 6219=4...(17) H ILE 15 - HD3 LYS 13 OK 37 94 - 39 - 517/3.0=7, 6208/5.5=5...(15) H LYS 13 - HD3 LYS 24 OK 22 86 - 26 - 6177/3.0=2, 6179=2...(11) H LYS 39 - HD2 LYS 12 OK 21 96 - 22 - 425/3.0=6, 6605/3.6=4...(7) H LYS 39 - HD3 LYS 12 OK 21 96 - 22 - 425/3.0=6, 6605/3.6=4...(7) H LYS 13 - HD2 LYS 24 OK 21 81 - 26 - 6177/3.0=2, 6179=2...(11) H LYS 13 - HG12 ILE 15 OK 18 50 - 37 - 677/2.1=8, 669/1.8=7...(10) H ILE 15 - HD3 LYS 90 OK 15 61 - 24 - 6217/1.8=5, 6219=3...(9) H GLU 17 - HG12 ILE 15 OK 15 37 - 39 - 6247/4.1=15, 669/1.8=6...(8) H GLU 75 - HD2 LYS 13 OK 12 96 - 13 - 517/3.0=3, 9618/5.5=2...(5) H GLU 75 - HD3 LYS 13 OK 12 94 - 13 - 517/3.0=3, 9618/5.5=2...(5) H ILE 15 - HD3 LYS 24 poor 9 86 - 10 - 6219=1 H GLU 17 - HD2 LYS 13 poor 9 80 - 11 - 10427/5.5=2, 517/3.0=1 H GLU 17 - HD3 LYS 13 poor 8 78 - 11 - 10427/5.5=2, 517/3.0=1 H ILE 15 - HD2 LYS 24 poor 8 81 - 10 - 6219=1 H GLU 75 - HD3 LYS 12 lone 8 100 - 8 - 425/3.0=2, 436/3.0=1 H GLU 75 - HD2 LYS 12 lone 8 100 - 8 - 425/3.0=2, 436/3.0=1 H GLU 17 - HD3 LYS 12 lone 8 87 - 9 - H GLU 17 - HD2 LYS 12 lone 8 87 - 9 - H LYS 39 - HD2 LYS 13 lone 6 89 - 7 - 517/3.0=2 H LYS 39 - HD3 LYS 13 lone 6 87 - 7 - 517/3.0=2 H LYS 39 - HG12 ILE 15 poor 6 44 - 13 - 677/2.1=3, 669/1.8=2...(5) H GLU 75 - HD3 LYS 24 lone 6 86 - 7 - 7236/3.6=1, 7236/3.6=1 H LYS 13 - HD3 LYS 90 lone 6 61 - 9 - 8389/5.2=2 H GLU 75 - HD2 LYS 24 lone 5 81 - 7 - 7236/3.6=1, 7236/3.6=1 H GLU 17 - HD3 LYS 90 poor 5 47 - 11 - 5.1/10436=3, 6245/5.2=3 H GLU 75 - HG12 ILE 15 poor 5 49 - 10 - 677/2.1=2, 645/2.9=2...(5) H SER 102 - HG12 ILE 15 lone 3 30 - 9 - 669/1.8=2, 677/2.1=2...(4) H GLU 17 - HD3 LYS 24 lone 2 69 - 3 - H GLU 17 - HD2 LYS 24 lone 2 64 - 3 - H LYS 39 - HD3 LYS 90 lone 2 54 - 4 - H SER 102 - HD2 LYS 12 lone 2 73 - 3 - H SER 102 - HD3 LYS 12 lone 2 73 - 3 - H LYS 39 - HD3 LYS 24 lone 2 78 - 2 - H LYS 39 - HD2 LYS 24 lone 2 74 - 2 - H SER 102 - HD3 LYS 90 lone 2 37 - 4 - 10112/2.9=2, 10111/3.6=1 H SER 102 - HD2 LYS 13 lone 1 66 - 2 - H SER 102 - HD3 LYS 13 lone 1 65 - 2 - H GLU 75 - HD3 LYS 90 lone 1 61 - 2 - H SER 102 - HD3 LYS 24 lone 1 56 - 1 - H SER 102 - HD2 LYS 24 lone 1 53 - 1 - Peak 460 from cnoeabs.peaks (3.85, 3.01, 41.80 ppm; 4.83 A): 5 out of 9 assignments used, quality = 0.95: * HA LYS 12 + HE2 LYS 12 OK 91 100 - 91 - 6.3=46, 3.7/423=23...(26) HA LYS 40 + HE2 LYS 12 OK 16 92 - 18 - 416/4.0=4, 427/4.0=2...(8) HA ALA 67 + HE2 LYS 12 OK 16 100 - 16 - 416/4.0=3, 427/4.0=2...(7) HB3 SER 49 + HE2 LYS 12 OK 10 100 - 10 - 416/4.0=2, 2272/7.3=1, 427/4.0=1 HA LYS 94 + HE2 LYS 12 OK 10 90 - 11 - 416/4.0=2, 427/4.0=2 HA ALA 71 - HE2 LYS 12 poor 9 94 - 10 - 416/4.0=2, 427/4.0=1 HA LEU 38 - HE2 LYS 12 lone 5 61 - 8 - 416/4.0=2 HA2 GLY 101 - HE2 LYS 12 lone 5 90 - 5 - HA2 GLY 100 - HE2 LYS 12 lone 3 90 - 4 - Peak 461 from cnoeabs.peaks (1.86, 3.01, 41.80 ppm; 4.51 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 12 + HE2 LYS 12 OK 99 100 - 99 - 4.8=82, 3.0/423=24...(52) HB3 LYS 12 + HE2 LYS 12 OK 98 100 - 99 - 4.8=82, 3.0/423=24...(52) HB3 LYS 66 - HE2 LYS 12 OK 32 100 - 32 - 2903/4.0=4, 2904/3.0=4...(10) HB3 LYS 39 - HE2 LYS 12 OK 23 100 - 23 - 417/4.0=4, 3.0/463=3...(7) HB3 LYS 68 - HE2 LYS 12 OK 11 97 - 12 - 418/4.0=2, 429/4.0=2, 412=1 HB VAL 5 - HE2 LYS 12 lone 7 100 - 7 - 10193/4.0=2 HB3 GLU 104 - HE2 LYS 12 lone 3 98 - 3 - Peak 462 from cnoeabs.peaks (1.87, 3.01, 41.80 ppm; 4.51 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LYS 12 + HE2 LYS 12 OK 99 100 - 99 - 4.8=82, 3.0/423=24...(52) HB2 LYS 12 + HE2 LYS 12 OK 98 100 - 99 - 4.8=82, 3.0/423=24...(52) HB3 LYS 66 - HE2 LYS 12 OK 31 99 - 32 - 2903/4.0=4, 3.6/464=4...(10) HB3 LYS 39 - HE2 LYS 12 OK 23 99 - 23 - 417/4.0=4, 3.0/463=3...(7) HB3 LYS 68 - HE2 LYS 12 OK 11 99 - 12 - 418/4.0=2, 429/4.0=2, 412=1 HB VAL 5 - HE2 LYS 12 lone 7 99 - 7 - 10193/4.0=2 HB VAL 54 - HE2 LYS 12 lone 6 61 - 9 - 2.1/10392=2, ~10651=1, ~10656=1 HB3 GLU 104 - HE2 LYS 12 lone 3 99 - 3 - Peak 463 from cnoeabs.peaks (1.45, 3.01, 41.80 ppm; 3.59 A): 2 out of 16 assignments used, quality = 0.96: * HG2 LYS 12 + HE2 LYS 12 OK 94 100 - 94 - 4.0=75, 1.8/464=15...(51) HG2 LYS 13 + HE2 LYS 12 OK 34 77 - 45 - 4.8/6171=5, 3.0/465=3...(13) HG3 LYS 39 - HE2 LYS 12 OK 18 99 - 18 - 1716/4.8=3, 1716/4.8=3...(5) HB2 LEU 27 - HE2 LYS 12 OK 11 87 - 13 - 3.1/10392=4, 3.0/464=2 HG LEU 29 - HE2 LYS 12 poor 9 92 - 10 - 430/4.0=2, 3.0/464=2...(4) HG13 ILE 52 - HE2 LYS 12 lone 7 87 - 8 - 3.2/10392=2 HG13 ILE 76 - HE2 LYS 12 lone 6 94 - 7 - ~9669=1 QB ALA 22 - HE2 LYS 12 lone 5 92 - 6 - 8581/4.0=1 HB2 LEU 38 - HE2 LYS 12 lone 4 92 - 5 - HG3 ARG 91 - HE2 LYS 12 lone 3 97 - 3 - HD2 LYS 40 - HE2 LYS 12 lone 3 61 - 4 - 5.2/460=1 HG LEU 38 - HE2 LYS 12 lone 2 81 - 3 - HD2 LYS 53 - HE2 LYS 12 lone 2 81 - 2 - HG2 LYS 20 - HE2 LYS 12 lone 1 87 - 1 - HG2 LYS 53 - HE2 LYS 12 lone 1 65 - 2 - HD2 LYS 82 - HE2 LYS 12 lone 1 81 - 1 - Peak 464 from cnoeabs.peaks (1.59, 3.01, 41.80 ppm; 3.61 A): 2 out of 13 assignments used, quality = 0.97: * HG3 LYS 12 + HE2 LYS 12 OK 94 100 - 94 - 4.0=76, 1.8/423=21...(43) HG2 LYS 24 + HE2 LYS 12 OK 40 96 - 43 - 434=6, 3.7/468=3...(14) HD2 LYS 66 - HE2 LYS 12 OK 26 97 - 28 - 2933/4.8=3, 2933/4.8=3...(9) HG3 LYS 73 - HE2 LYS 12 OK 19 99 - 18 - 434=3, 420/4.0=2 HG LEU 27 - HE2 LYS 12 OK 14 99 - 14 - 2.1/10392=4, 420/4.0=2 HG3 LYS 90 - HE2 LYS 12 OK 13 92 - 14 - ~3953=1, 420/4.0=1...(5) HB3 LEU 29 - HE2 LYS 12 OK 13 100 - 13 - 1283/4.0=2, 8670/4.8=2...(4) HD3 LYS 94 - HE2 LYS 12 lone 6 99 - 6 - HG2 ARG 19 - HE2 LYS 12 lone 2 94 - 2 - HB2 ARG 30 - HE2 LYS 12 lone 2 94 - 2 - HB2 LEU 103 - HE2 LYS 12 lone 2 94 - 2 - HB2 ARG 79 - HE2 LYS 12 lone 1 98 - 1 - HG LEU 103 - HE2 LYS 12 lone 1 87 - 1 - Peak 465 from cnoeabs.peaks (1.70, 3.01, 41.80 ppm; 2.78 A): 2 out of 17 assignments used, quality = 0.99: HD3 LYS 12 + HE2 LYS 12 OK 91 100 - 91 - 3.0=81, 3.0/423=9...(27) * HD2 LYS 12 + HE2 LYS 12 OK 91 100 - 91 - 3.0=81, 3.0/423=9...(27) HD3 LYS 13 - HE2 LYS 12 OK 28 100 - 28 - 3.0/463=3, 456=2...(7) HD2 LYS 13 - HE2 LYS 12 OK 27 100 - 28 - 3.0/463=3, 456=2...(7) HD3 LYS 24 - HE2 LYS 12 OK 24 99 - 24 - 3.0/464=3, 3.0/468=2...(5) HD2 LYS 24 - HE2 LYS 12 OK 24 99 - 24 - 3.0/464=3, 3.0/468=2...(5) HD3 LYS 66 - HE2 LYS 12 OK 15 100 - 15 - 1.8/464=2, 2947/4.0=2...(6) HG12 ILE 15 - HE2 LYS 12 OK 15 97 - 16 - 2.1/8445=3, 4.1/8451=2, ~673=1 HD3 LYS 90 - HE2 LYS 12 lone 9 99 - 9 - HB2 LEU 2 - HE2 LYS 12 lone 3 100 - 3 - HG LEU 70 - HE2 LYS 12 lone 3 100 - 3 - HD3 LYS 47 - HE2 LYS 12 lone 2 61 - 3 - HB3 LYS 40 - HE2 LYS 12 lone 2 70 - 3 - HG2 PRO 86 - HE2 LYS 12 lone 2 96 - 2 - HB3 LEU 70 - HE2 LYS 12 lone 2 77 - 2 - HB3 ARG 91 - HE2 LYS 12 lone 1 65 - 1 - HB3 LYS 53 - HE2 LYS 12 lone 1 77 - 1 - Peak 466 from cnoeabs.peaks (1.70, 3.01, 41.80 ppm; 2.78 A): 2 out of 17 assignments used, quality = 0.99: * HD3 LYS 12 + HE2 LYS 12 OK 91 100 - 91 - 3.0=81, 3.0/423=9...(27) HD2 LYS 12 + HE2 LYS 12 OK 91 100 - 91 - 3.0=81, 3.0/423=9...(27) HD3 LYS 13 - HE2 LYS 12 OK 28 100 - 28 - 3.0/463=3, 456=2...(7) HD2 LYS 13 - HE2 LYS 12 OK 27 100 - 28 - 3.0/463=3, 456=2...(7) HD3 LYS 24 - HE2 LYS 12 OK 24 99 - 24 - 3.0/464=3, 3.0/468=2...(5) HD2 LYS 24 - HE2 LYS 12 OK 24 99 - 24 - 3.0/464=3, 3.0/468=2...(5) HD3 LYS 66 - HE2 LYS 12 OK 15 100 - 15 - 1.8/464=2, 2947/4.0=2...(6) HG12 ILE 15 - HE2 LYS 12 OK 15 97 - 16 - 2.1/8445=3, 4.1/8451=2, ~673=1 HD3 LYS 90 - HE2 LYS 12 lone 9 99 - 9 - HB2 LEU 2 - HE2 LYS 12 lone 3 100 - 3 - HG LEU 70 - HE2 LYS 12 lone 3 100 - 3 - HD3 LYS 47 - HE2 LYS 12 lone 2 61 - 3 - HB3 LYS 40 - HE2 LYS 12 lone 2 70 - 3 - HG2 PRO 86 - HE2 LYS 12 lone 2 96 - 2 - HB3 LEU 70 - HE2 LYS 12 lone 2 77 - 2 - HB3 ARG 91 - HE2 LYS 12 lone 1 65 - 1 - HB3 LYS 53 - HE2 LYS 12 lone 1 77 - 1 - Peak 467 from cnoeabs.peaks (3.01, 3.01, 41.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 12 + HE2 LYS 12 OK 100 100 - 100 Peak 468 from cnoeabs.peaks (2.96, 3.01, 41.80 ppm; 2.40 A): 1 out of 12 assignments used, quality = 1.00: * HE3 LYS 12 + HE2 LYS 12 OK 100 100 - 100 - 1.8=100 HE2 LYS 24 - HE2 LYS 12 OK 15 100 - 15 - 478=4, 1.8/478=2...(5) HE3 LYS 24 - HE2 LYS 12 OK 15 100 - 15 - 478=4, 1.8/478=2...(5) HE2 LYS 13 - HE2 LYS 12 OK 15 99 - 15 - 478=4, 1.8/478=2...(6) HE3 LYS 13 - HE2 LYS 12 OK 14 97 - 15 - 478=3, 1.8/478=2...(5) HE2 LYS 47 - HE2 LYS 12 lone 2 94 - 2 - HE3 LYS 47 - HE2 LYS 12 lone 2 94 - 2 - HE2 LYS 73 - HE2 LYS 12 lone 2 81 - 2 - HE3 LYS 73 - HE2 LYS 12 lone 1 61 - 2 - HB3 PHE 45 - HE2 LYS 12 lone 1 100 - 1 - HB2 PHE 45 - HE2 LYS 12 lone 0 65 - 1 - HB2 ASN 51 - HE2 LYS 12 lone 0 61 - 0 - Peak 472 from cnoeabs.peaks (1.86, 2.96, 41.80 ppm; 3.85 A): 2 out of 49 assignments used, quality = 0.99: * HB2 LYS 12 + HE3 LYS 12 OK 90 100 - 90 - 4.8=51, ~423=12...(45) HB3 LYS 12 + HE3 LYS 12 OK 90 100 - 90 - 4.8=51, ~423=12...(45) HB2 LYS 12 - HE2 LYS 13 OK 42 92 - 46 - 3.0/424=4, 3.0/389=3...(22) HB3 LYS 12 - HE2 LYS 13 OK 42 91 - 46 - 3.0/424=4, 3.0/389=3...(22) HB2 LYS 12 - HE3 LYS 24 OK 40 98 - 41 - 3.0/424=3, 3.0/389=2...(17) HB2 LYS 12 - HE2 LYS 24 OK 40 98 - 41 - 3.0/424=3, 3.0/389=2...(17) HB3 LYS 12 - HE2 LYS 24 OK 40 98 - 41 - 3.0/424=3, 3.0/389=2...(17) HB3 LYS 12 - HE3 LYS 24 OK 40 98 - 41 - 3.0/424=3, 3.0/389=2...(17) HB2 LYS 12 - HE3 LYS 13 OK 37 81 - 46 - 3.0/424=4, 3.0/389=3...(25) HB3 LYS 12 - HE3 LYS 13 OK 37 80 - 46 - 3.0/424=4, 3.0/389=3...(25) HB3 LYS 66 - HE3 LYS 12 OK 22 100 - 22 - 461/1.8=3, 2903/4.0=3...(6) HB3 LYS 39 - HE3 LYS 12 OK 16 100 - 16 - 417/4.0=3, 461/1.8=2...(5) HB3 LYS 66 - HE3 LYS 24 lone 10 97 - 10 - 2904/3.0=2, 2904/3.0=2 HB3 LYS 66 - HE2 LYS 24 lone 10 97 - 10 - 2904/3.0=2, 2904/3.0=2 HB3 LYS 66 - HE2 LYS 13 lone 8 91 - 9 - 2904/2.9=1, 2904/2.9=1 HB3 LYS 68 - HE3 LYS 12 lone 8 97 - 8 - 418/4.0=2, 429/4.0=1, 461/1.8=1 HB3 LYS 66 - HE3 LYS 13 lone 7 80 - 9 - 2904/2.9=1, 2904/2.9=1 HB2 LYS 12 - HE2 LYS 47 lone 6 65 - 8 - 4.2/6172=1 HB2 LYS 12 - HE3 LYS 47 lone 6 65 - 8 - 4.2/6172=1 HB3 LYS 12 - HE3 LYS 47 lone 6 65 - 8 - 4.2/6172=1 HB3 LYS 12 - HE2 LYS 47 lone 6 65 - 8 - 4.2/6172=1 HB VAL 5 - HE3 LYS 12 lone 5 100 - 5 - 10193/4.0=2 HB3 LYS 39 - HE2 LYS 13 lone 4 91 - 5 - 6165/7.3=1 HB3 LYS 39 - HE3 LYS 13 lone 4 80 - 5 - 6165/7.3=1 HB VAL 5 - HE2 LYS 13 lone 2 91 - 3 - 10193/3.8=1 HB3 GLU 104 - HE3 LYS 12 lone 2 98 - 2 - HB VAL 5 - HE3 LYS 13 lone 2 80 - 3 - 10193/3.8=1 HB3 LYS 39 - HE3 LYS 24 lone 2 98 - 2 - HB3 LYS 39 - HE2 LYS 24 lone 2 98 - 2 - HB3 LYS 66 - HE3 LYS 47 lone 2 64 - 3 - HB3 LYS 66 - HE2 LYS 47 lone 2 64 - 3 - HB3 LYS 68 - HE2 LYS 13 lone 2 86 - 2 - HB3 LYS 68 - HE2 LYS 24 lone 1 94 - 1 - HB3 LYS 68 - HE3 LYS 24 lone 1 94 - 1 - HB3 LYS 68 - HE3 LYS 13 lone 1 75 - 2 - HB VAL 5 - HE2 LYS 24 lone 1 97 - 1 - HB VAL 5 - HE3 LYS 24 lone 1 97 - 1 - HB3 LYS 39 - HE2 LYS 47 lone 1 65 - 1 - HB3 LYS 39 - HE3 LYS 47 lone 1 65 - 1 - HB3 GLU 104 - HE3 LYS 24 lone 1 95 - 1 - HB3 GLU 104 - HE2 LYS 24 lone 1 95 - 1 - HB3 LYS 68 - HE3 LYS 47 lone 1 60 - 1 - HB3 LYS 68 - HE2 LYS 47 lone 1 60 - 1 - HB3 GLU 104 - HE2 LYS 13 lone 1 88 - 1 - HB3 GLU 104 - HE3 LYS 13 lone 1 76 - 1 - HB3 GLU 104 - HE2 LYS 47 lone 1 61 - 1 - HB3 GLU 104 - HE3 LYS 47 lone 1 61 - 1 - HB VAL 5 - HE3 LYS 47 lone 0 64 - 1 - HB VAL 5 - HE2 LYS 47 lone 0 64 - 1 - Peak 473 from cnoeabs.peaks (1.87, 2.96, 41.80 ppm; 3.85 A): 2 out of 56 assignments used, quality = 0.99: * HB3 LYS 12 + HE3 LYS 12 OK 90 100 - 90 - 4.8=51, ~423=12...(45) HB2 LYS 12 + HE3 LYS 12 OK 90 100 - 90 - 4.8=51, ~423=12...(45) HB3 LYS 12 - HE2 LYS 13 OK 42 92 - 46 - 3.0/424=4, 3.0/389=3...(22) HB2 LYS 12 - HE2 LYS 13 OK 42 91 - 46 - 3.0/424=4, 3.0/389=3...(22) HB3 LYS 12 - HE3 LYS 24 OK 40 98 - 41 - 3.0/424=3, 3.0/389=2...(17) HB3 LYS 12 - HE2 LYS 24 OK 40 98 - 41 - 3.0/424=3, 3.0/389=2...(17) HB2 LYS 12 - HE2 LYS 24 OK 40 98 - 41 - 3.0/424=3, 3.0/389=2...(17) HB2 LYS 12 - HE3 LYS 24 OK 40 98 - 41 - 3.0/424=3, 3.0/389=2...(17) HB3 LYS 12 - HE3 LYS 13 OK 37 81 - 46 - 3.0/424=4, 3.0/389=3...(25) HB2 LYS 12 - HE3 LYS 13 OK 37 80 - 46 - 3.0/424=4, 3.0/389=3...(25) HB3 LYS 66 - HE3 LYS 12 OK 22 99 - 22 - 461/1.8=3, 2903/4.0=3...(6) HB3 LYS 39 - HE3 LYS 12 OK 16 99 - 16 - 417/4.0=3, 461/1.8=2...(5) HB3 LYS 66 - HE2 LYS 24 lone 9 96 - 10 - 2904/3.0=1, 2904/3.0=1 HB3 LYS 66 - HE3 LYS 24 lone 9 96 - 10 - 2904/3.0=1, 2904/3.0=1 HB3 LYS 66 - HE2 LYS 13 lone 8 89 - 9 - 2904/2.9=1, 2904/2.9=1 HB3 LYS 68 - HE3 LYS 12 lone 8 99 - 8 - 418/4.0=2, 429/4.0=1, 462/1.8=1 HB3 LYS 66 - HE3 LYS 13 lone 7 78 - 9 - 2904/2.9=1, 2904/2.9=1 HB3 LYS 12 - HE3 LYS 47 lone 6 65 - 8 - 4.2/6172=1 HB3 LYS 12 - HE2 LYS 47 lone 6 65 - 8 - 4.2/6172=1 HB2 LYS 12 - HE2 LYS 47 lone 6 65 - 8 - 4.2/6172=1 HB2 LYS 12 - HE3 LYS 47 lone 6 65 - 8 - 4.2/6172=1 HB VAL 5 - HE3 LYS 12 lone 4 99 - 4 - 10193/4.0=2 HB3 LYS 39 - HE2 LYS 13 lone 4 90 - 5 - 6165/7.3=1 HB3 LYS 39 - HE3 LYS 13 lone 4 79 - 5 - 6165/7.3=1 HB VAL 54 - HE3 LYS 12 lone 4 61 - 6 - ~10392=1 HB VAL 5 - HE2 LYS 13 lone 2 89 - 3 - 10193/3.8=1 HB3 GLU 104 - HE3 LYS 12 lone 2 99 - 2 - HB3 LYS 39 - HE2 LYS 24 lone 2 97 - 2 - HB3 LYS 39 - HE3 LYS 24 lone 2 97 - 2 - HB VAL 5 - HE3 LYS 13 lone 2 78 - 3 - 10193/3.8=1 HB3 LYS 66 - HE2 LYS 47 lone 2 63 - 3 - HB3 LYS 66 - HE3 LYS 47 lone 2 63 - 3 - HB3 LYS 68 - HE2 LYS 13 lone 2 89 - 2 - HB VAL 54 - HE2 LYS 13 lone 2 51 - 3 - HB3 LYS 68 - HE3 LYS 24 lone 1 96 - 1 - HB3 LYS 68 - HE2 LYS 24 lone 1 96 - 1 - HB3 LYS 68 - HE3 LYS 13 lone 1 78 - 2 - HB VAL 54 - HE3 LYS 13 lone 1 43 - 3 - HB VAL 54 - HE2 LYS 47 lone 1 33 - 3 - HB VAL 54 - HE3 LYS 47 lone 1 33 - 3 - HB VAL 5 - HE2 LYS 24 lone 1 96 - 1 - HB VAL 5 - HE3 LYS 24 lone 1 96 - 1 - HB3 LYS 39 - HE3 LYS 47 lone 1 64 - 1 - HB3 LYS 39 - HE2 LYS 47 lone 1 64 - 1 - HB VAL 54 - HE3 LYS 24 lone 1 58 - 1 - HB VAL 54 - HE2 LYS 24 lone 1 58 - 1 - HB3 LYS 68 - HE3 LYS 47 lone 1 63 - 1 - HB3 LYS 68 - HE2 LYS 47 lone 1 63 - 1 - HB3 GLU 104 - HE2 LYS 24 lone 1 97 - 1 - HB3 GLU 104 - HE3 LYS 24 lone 1 97 - 1 - HB3 GLU 104 - HE2 LYS 13 lone 1 90 - 1 - HB3 GLU 104 - HE3 LYS 13 lone 1 79 - 1 - HB3 GLU 104 - HE2 LYS 47 lone 1 64 - 1 - HB3 GLU 104 - HE3 LYS 47 lone 1 64 - 1 - HB VAL 5 - HE2 LYS 47 lone 0 63 - 1 - HB VAL 5 - HE3 LYS 47 lone 0 63 - 1 - Peak 474 from cnoeabs.peaks (1.45, 2.96, 41.80 ppm; 3.48 A): 3 out of 112 assignments used, quality = 0.98: * HG2 LYS 12 + HE3 LYS 12 OK 91 100 - 91 - 4.0=68, 423/1.8=20...(29) HG2 LYS 13 + HE2 LYS 13 OK 60 65 - 91 - 3.8=76, 524/2.9=5...(53) HG2 LYS 13 + HE3 LYS 13 OK 50 55 - 91 - 3.8=76, 524/2.9=5...(55) HG2 LYS 12 - HE2 LYS 13 OK 40 92 - 44 - 424=4, 424/1.8=4...(18) HG2 LYS 12 - HE3 LYS 24 OK 38 98 - 39 - 424=4, 424/1.8=3...(16) HG2 LYS 12 - HE2 LYS 24 OK 38 98 - 39 - 424=4, 424/1.8=3...(16) HG2 LYS 12 - HE3 LYS 13 OK 35 81 - 44 - 424=4, 424/1.8=4...(19) HG2 LYS 13 - HE3 LYS 12 OK 25 77 - 33 - 463/1.8=6, 524/3.0=2...(14) HG2 LYS 13 - HE3 LYS 24 OK 24 73 - 34 - 525=2, 526/1.8=2...(10) HG2 LYS 13 - HE2 LYS 24 OK 24 73 - 34 - 525=2, 526/1.8=2...(10) HG3 LYS 39 - HE3 LYS 12 OK 19 99 - 19 - 463/1.8=3, 1716/4.8=3...(7) HG3 ARG 91 - HE3 LYS 47 OK 15 60 - 25 - 4055/3.8=3, ~4039=2...(12) HG3 ARG 91 - HE2 LYS 47 OK 15 60 - 25 - 4055/3.8=3, ~4039=2...(12) HG2 LYS 13 - HE2 LYS 47 OK 11 43 - 26 - 522/3.8=2, ~2216=1...(10) HG2 LYS 13 - HE3 LYS 47 OK 11 43 - 26 - 522/3.8=2, ~2216=1...(10) HB2 LEU 27 - HE3 LYS 12 OK 10 87 - 12 - ~10392=3, 463/1.8=2, 1192/4.0=1 HG LEU 29 - HE3 LYS 12 lone 9 92 - 9 - 463/1.8=2, 430/4.0=1, 8675/4.8=1 HG13 ILE 52 - HE3 LYS 12 lone 7 87 - 8 - ~10392=1, 2.1/9174=1...(4) HG13 ILE 76 - HE3 LYS 12 lone 6 94 - 7 - 2.1/9669=2, 463/1.8=1 HG2 LYS 20 - HE3 LYS 47 poor 6 50 - 11 - HG2 LYS 20 - HE2 LYS 47 poor 6 50 - 11 - HG13 ILE 76 - HE2 LYS 13 lone 5 82 - 6 - 2.1/9669=1 QB ALA 22 - HE3 LYS 12 lone 5 92 - 6 - 8581/4.0=1 HG13 ILE 76 - HE2 LYS 24 lone 5 90 - 5 - 2.1/9669=1 HG13 ILE 76 - HE3 LYS 24 lone 5 90 - 5 - 2.1/9669=1 HG13 ILE 52 - HE3 LYS 47 lone 5 50 - 9 - 2.1/9174=2, 3.2/9166=1, ~9174=1 HG13 ILE 52 - HE2 LYS 47 lone 5 50 - 9 - 2.1/9174=2, 3.2/9166=1, ~9174=1 HG2 LYS 12 - HE2 LYS 47 lone 5 65 - 7 - HG2 LYS 12 - HE3 LYS 47 lone 5 65 - 7 - HG3 LYS 39 - HE2 LYS 13 lone 5 90 - 5 - 1713/7.3=1 HG13 ILE 76 - HE3 LYS 13 lone 4 71 - 6 - 2.1/9669=1 HG13 ILE 52 - HE2 LYS 13 lone 4 75 - 6 - 2.1/9174=1 HB2 LEU 38 - HE3 LYS 12 lone 4 92 - 5 - HG13 ILE 52 - HE2 LYS 24 lone 4 83 - 5 - HG13 ILE 52 - HE3 LYS 24 lone 4 83 - 5 - HG3 LYS 39 - HE3 LYS 13 lone 4 79 - 5 - 1713/7.3=1 QB ALA 22 - HE3 LYS 24 lone 4 88 - 4 - 8589/7.4=2 QB ALA 22 - HE2 LYS 24 lone 4 88 - 4 - 8589/7.4=2 HG13 ILE 52 - HE3 LYS 13 lone 4 64 - 6 - 2.1/9174=1 HB2 LEU 38 - HE2 LYS 13 lone 3 80 - 4 - HG3 ARG 91 - HE3 LYS 12 lone 3 97 - 3 - HB2 LEU 38 - HE3 LYS 13 lone 3 69 - 4 - HG13 ILE 76 - HE3 LYS 47 lone 2 57 - 4 - 2.1/9669=1 HG13 ILE 76 - HE2 LYS 47 lone 2 57 - 4 - 2.1/9669=1 HG3 ARG 91 - HE2 LYS 13 lone 2 86 - 3 - HG LEU 38 - HE3 LYS 12 lone 2 81 - 3 - HG3 ARG 91 - HE2 LYS 24 lone 2 94 - 2 - HG3 ARG 91 - HE3 LYS 24 lone 2 94 - 2 - HG3 ARG 91 - HE3 LYS 13 lone 2 75 - 3 - HG3 LYS 39 - HE2 LYS 24 lone 2 97 - 2 - HG3 LYS 39 - HE3 LYS 24 lone 2 97 - 2 - QB ALA 22 - HE2 LYS 13 lone 2 80 - 2 - HG LEU 29 - HE2 LYS 13 lone 2 80 - 2 - HD2 LYS 40 - HE3 LYS 12 lone 2 61 - 3 - HD2 LYS 53 - HE3 LYS 24 lone 2 76 - 2 - HD2 LYS 53 - HE2 LYS 24 lone 2 76 - 2 - HD2 LYS 53 - HE3 LYS 12 lone 2 81 - 2 - HB2 LEU 27 - HE3 LYS 24 lone 2 83 - 2 - HB2 LEU 27 - HE2 LYS 24 lone 2 83 - 2 - QB ALA 22 - HE3 LYS 13 lone 1 69 - 2 - HG LEU 29 - HE3 LYS 13 lone 1 69 - 2 - HG LEU 29 - HE3 LYS 24 lone 1 88 - 2 - HG LEU 29 - HE2 LYS 24 lone 1 88 - 2 - HG LEU 38 - HE2 LYS 13 lone 1 69 - 2 - HD2 LYS 53 - HE2 LYS 47 lone 1 46 - 3 - HD2 LYS 53 - HE3 LYS 47 lone 1 46 - 3 - HG2 LYS 53 - HE3 LYS 12 lone 1 65 - 2 - HB2 LEU 27 - HE2 LYS 13 lone 1 75 - 2 - HG2 LYS 20 - HE3 LYS 12 lone 1 87 - 1 - HB2 LEU 38 - HE3 LYS 47 lone 1 55 - 2 - HB2 LEU 38 - HE2 LYS 47 lone 1 55 - 2 - HB2 LEU 38 - HE3 LYS 24 lone 1 88 - 1 - HB2 LEU 38 - HE2 LYS 24 lone 1 88 - 1 - HG LEU 38 - HE3 LYS 13 lone 1 58 - 2 - QB ALA 22 - HE3 LYS 47 lone 1 55 - 2 - QB ALA 22 - HE2 LYS 47 lone 1 55 - 2 - HB2 LEU 27 - HE3 LYS 13 lone 1 64 - 2 - HG3 LYS 39 - HE2 LYS 47 lone 1 64 - 1 - HG3 LYS 39 - HE3 LYS 47 lone 1 64 - 1 - HD2 LYS 82 - HE3 LYS 12 lone 1 81 - 1 - HG LEU 38 - HE3 LYS 47 lone 1 46 - 2 - HG LEU 38 - HE2 LYS 47 lone 1 46 - 2 - HG2 LYS 53 - HE3 LYS 47 lone 1 36 - 2 - HG2 LYS 53 - HE2 LYS 47 lone 1 36 - 2 - HG2 LYS 53 - HE2 LYS 24 lone 1 61 - 1 - HG2 LYS 53 - HE3 LYS 24 lone 1 61 - 1 - HG LEU 38 - HE2 LYS 24 lone 1 76 - 1 - HG LEU 38 - HE3 LYS 24 lone 1 76 - 1 - HD2 LYS 40 - HE2 LYS 47 lone 1 33 - 2 - HD2 LYS 40 - HE3 LYS 47 lone 1 33 - 2 - HG2 LYS 20 - HE3 LYS 24 lone 1 83 - 1 - HG2 LYS 20 - HE2 LYS 24 lone 1 83 - 1 - HG2 LYS 20 - HE2 LYS 13 lone 1 75 - 1 - HD2 LYS 53 - HE2 LYS 13 lone 1 69 - 1 - HG2 LYS 20 - HE3 LYS 13 lone 1 64 - 1 - HD2 LYS 40 - HE2 LYS 24 lone 1 58 - 1 - HD2 LYS 40 - HE3 LYS 24 lone 1 58 - 1 - HD2 LYS 40 - HE2 LYS 13 lone 1 51 - 1 - HD2 LYS 53 - HE3 LYS 13 lone 1 58 - 1 - HG2 LYS 53 - HE2 LYS 13 lone 0 55 - 1 - HD2 LYS 82 - HE2 LYS 24 lone 0 76 - 1 - HD2 LYS 82 - HE3 LYS 24 lone 0 76 - 1 - HD2 LYS 40 - HE3 LYS 13 lone 0 43 - 1 - HD2 LYS 82 - HE2 LYS 13 lone 0 69 - 1 - HG LEU 29 - HE2 LYS 47 lone 0 55 - 1 - HG LEU 29 - HE3 LYS 47 lone 0 55 - 1 - HB2 LEU 27 - HE2 LYS 47 lone 0 50 - 1 - HB2 LEU 27 - HE3 LYS 47 lone 0 50 - 1 - HG2 LYS 53 - HE3 LYS 13 lone 0 46 - 1 - HD2 LYS 82 - HE3 LYS 13 lone 0 58 - 1 - HD2 LYS 82 - HE2 LYS 47 lone 0 46 - 1 - HD2 LYS 82 - HE3 LYS 47 lone 0 46 - 1 - Peak 475 from cnoeabs.peaks (1.59, 2.96, 41.80 ppm; 2.92 A): 3 out of 91 assignments used, quality = 0.97: * HG3 LYS 12 + HE3 LYS 12 OK 73 100 - 73 - 4.0=40, 464/1.8=10...(24) HG2 LYS 24 + HE2 LYS 24 OK 69 92 - 75 - 3.7=48, 1.8/1104=6...(18) HG2 LYS 24 + HE3 LYS 24 OK 69 92 - 75 - 3.7=48, 1.8/1104=6...(18) HG3 LYS 12 - HE2 LYS 13 OK 26 92 - 29 - 1.8/424=2, ~424=2...(10) HG3 LYS 12 - HE3 LYS 24 OK 25 98 - 25 - 1.8/424=2, ~424=2...(9) HG3 LYS 12 - HE2 LYS 24 OK 25 98 - 25 - 1.8/424=2, ~424=2...(9) HG3 LYS 12 - HE3 LYS 13 OK 23 81 - 29 - 1.8/424=2, ~424=2, 435=1...(8) HG2 LYS 24 - HE3 LYS 12 OK 20 96 - 22 - 464/1.8=4, 1.8/1104=2...(6) HG2 LYS 24 - HE2 LYS 13 OK 20 84 - 24 - 1.8/1103=2, 1092=1...(5) HG3 LYS 73 - HE3 LYS 24 OK 19 97 - 20 - 1099/3.7=1, 3279/1.8=1 HG3 LYS 73 - HE2 LYS 24 OK 19 97 - 20 - 1099/3.7=1, 3279/1.8=1 HG3 LYS 73 - HE2 LYS 13 OK 18 90 - 20 - 3279/1.8=1, 435=1 HG2 LYS 24 - HE3 LYS 13 OK 17 73 - 24 - 1.8/1103=2, 1092=1...(5) HD2 LYS 66 - HE3 LYS 12 OK 17 97 - 17 - 464/1.8=3, 2937/3.0=2...(6) HG3 LYS 73 - HE3 LYS 13 OK 16 79 - 20 - 3279/1.8=1 HG3 LYS 73 - HE2 LYS 47 OK 10 64 - 16 - 3275/3.8=1, 3277/3.0=1 HG3 LYS 73 - HE3 LYS 47 OK 10 64 - 16 - 3275/3.8=1, 3277/3.0=1 HG2 LYS 24 - HE3 LYS 47 poor 10 58 - 16 - 1.8/1104=1 HG2 LYS 24 - HE2 LYS 47 poor 10 58 - 16 - 1.8/1104=1 HG LEU 27 - HE3 LYS 12 lone 9 99 - 9 - ~10392=2, 464/1.8=1, 420/4.0=1 HG3 LYS 90 - HE3 LYS 12 lone 9 92 - 9 - 464/1.8=1 HG3 LYS 73 - HE3 LYS 12 lone 9 99 - 8 - 464/1.8=2 HD3 LYS 94 - HE2 LYS 47 poor 9 64 - 14 - 4247/3.8=4, 4243/4.9=2 HD3 LYS 94 - HE3 LYS 47 poor 9 64 - 14 - 4247/3.8=4, 4243/4.9=2 HB3 LEU 29 - HE3 LYS 12 lone 8 100 - 8 - 1283/4.0=1, 464/1.8=1...(4) HG3 LYS 90 - HE2 LYS 24 lone 7 88 - 8 - 1099/3.7=2 HG3 LYS 90 - HE3 LYS 24 lone 7 88 - 8 - 1099/3.7=2 HD2 LYS 66 - HE2 LYS 13 lone 5 86 - 6 - HD2 LYS 66 - HE3 LYS 24 lone 5 94 - 5 - HD2 LYS 66 - HE2 LYS 24 lone 5 94 - 5 - HD2 LYS 66 - HE3 LYS 13 lone 4 75 - 6 - HG3 LYS 12 - HE3 LYS 47 lone 3 65 - 5 - HG3 LYS 12 - HE2 LYS 47 lone 3 65 - 5 - HD3 LYS 94 - HE3 LYS 12 lone 3 99 - 3 - HD3 LYS 94 - HE2 LYS 13 lone 2 90 - 2 - HD3 LYS 94 - HE3 LYS 13 lone 2 79 - 2 - HG3 LYS 90 - HE2 LYS 13 lone 2 80 - 2 - HD3 LYS 94 - HE2 LYS 24 lone 2 97 - 2 - HD3 LYS 94 - HE3 LYS 24 lone 2 97 - 2 - HB2 LEU 103 - HE3 LYS 24 lone 2 90 - 2 - HB2 LEU 103 - HE2 LYS 24 lone 2 90 - 2 - HG LEU 27 - HE2 LYS 24 lone 2 97 - 2 - HG LEU 27 - HE3 LYS 24 lone 2 97 - 2 - HB3 LEU 29 - HE2 LYS 13 lone 2 91 - 2 - HG3 LYS 90 - HE3 LYS 13 lone 2 69 - 2 - HB3 LEU 29 - HE3 LYS 13 lone 1 80 - 2 - HG LEU 103 - HE3 LYS 24 lone 1 83 - 2 - HG LEU 103 - HE2 LYS 24 lone 1 83 - 2 - HG LEU 27 - HE2 LYS 13 lone 1 90 - 1 - HB3 LEU 29 - HE3 LYS 24 lone 1 98 - 1 - HB3 LEU 29 - HE2 LYS 24 lone 1 98 - 1 - HG3 LYS 90 - HE3 LYS 47 lone 1 55 - 2 - HG3 LYS 90 - HE2 LYS 47 lone 1 55 - 2 - HG2 ARG 19 - HE3 LYS 12 lone 1 94 - 1 - HG LEU 27 - HE3 LYS 13 lone 1 79 - 1 - HB2 LEU 103 - HE3 LYS 12 lone 1 94 - 1 - HB2 ARG 30 - HE3 LYS 12 lone 1 94 - 1 - HD2 LYS 66 - HE2 LYS 47 lone 1 60 - 1 - HD2 LYS 66 - HE3 LYS 47 lone 1 60 - 1 - HG LEU 103 - HE3 LYS 12 lone 1 87 - 1 - HG2 ARG 19 - HE2 LYS 24 lone 1 90 - 1 - HG2 ARG 19 - HE3 LYS 24 lone 1 90 - 1 - HB2 ARG 79 - HE3 LYS 12 lone 1 98 - 1 - HG2 ARG 19 - HE2 LYS 13 lone 1 82 - 1 - HG2 ARG 19 - HE3 LYS 13 lone 1 71 - 1 - HG2 ARG 19 - HE2 LYS 47 lone 1 57 - 1 - HG2 ARG 19 - HE3 LYS 47 lone 1 57 - 1 - HB2 ARG 79 - HE3 LYS 24 lone 0 95 - 0 - HB2 ARG 79 - HE2 LYS 24 lone 0 95 - 0 - HB2 LEU 103 - HE2 LYS 13 lone 0 82 - 1 - HB2 ARG 30 - HE3 LYS 24 lone 0 90 - 0 - HB2 ARG 30 - HE2 LYS 24 lone 0 90 - 0 - HG LEU 27 - HE3 LYS 47 lone 0 64 - 1 - HG LEU 27 - HE2 LYS 47 lone 0 64 - 1 - HB2 ARG 79 - HE2 LYS 13 lone 0 88 - 0 - HB2 ARG 30 - HE2 LYS 13 lone 0 82 - 0 - HB2 LEU 103 - HE3 LYS 13 lone 0 71 - 1 - HG LEU 103 - HE2 LYS 13 lone 0 75 - 0 - HB2 ARG 79 - HE3 LYS 13 lone 0 76 - 0 - HB2 ARG 30 - HE3 LYS 13 lone 0 71 - 0 - HB3 LEU 29 - HE3 LYS 47 lone 0 65 - 0 - HB3 LEU 29 - HE2 LYS 47 lone 0 65 - 0 - HG LEU 103 - HE3 LYS 13 lone 0 64 - 0 - HB2 ARG 30 - HE3 LYS 47 lone 0 57 - 0 - HB2 ARG 30 - HE2 LYS 47 lone 0 57 - 0 - HB2 LEU 103 - HE2 LYS 47 lone 0 57 - 0 - HB2 LEU 103 - HE3 LYS 47 lone 0 57 - 0 - HB2 ARG 79 - HE2 LYS 47 lone 0 61 - 0 - HB2 ARG 79 - HE3 LYS 47 lone 0 61 - 0 - HG LEU 103 - HE3 LYS 47 lone 0 50 - 0 - HG LEU 103 - HE2 LYS 47 lone 0 50 - 0 - Peak 476 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.45 A): 10 out of 119 assignments used, quality = 1.00: HD3 LYS 12 + HE3 LYS 12 OK 71 100 - 71 - 3.0=55, 465/1.8=7...(13) * HD2 LYS 12 + HE3 LYS 12 OK 71 100 - 71 - 3.0=55, 465/1.8=7...(13) HD3 LYS 24 + HE2 LYS 24 OK 67 97 - 69 - 3.0=56, 1102/3.7=3...(8) HD3 LYS 24 + HE3 LYS 24 OK 67 97 - 69 - 3.0=56, 1102/3.7=3...(8) HD2 LYS 24 + HE2 LYS 24 OK 67 96 - 69 - 3.0=56, 1102/3.7=3...(8) HD2 LYS 24 + HE3 LYS 24 OK 67 96 - 69 - 3.0=56, 1102/3.7=3...(8) HD2 LYS 13 + HE2 LYS 13 OK 64 92 - 69 - 2.9=58, 524/3.8=3...(6) HD3 LYS 13 + HE2 LYS 13 OK 64 91 - 70 - 2.9=58, 524/3.8=3...(6) HD2 LYS 13 + HE3 LYS 13 OK 56 81 - 69 - 2.9=58, 524/3.8=3...(6) HD3 LYS 13 + HE3 LYS 13 OK 56 80 - 70 - 2.9=58, 524/3.8=3...(6) HD3 LYS 47 - HE3 LYS 47 OK 22 33 - 68 - 3.0=56, 3.0/2176=3...(14) HD3 LYS 47 - HE2 LYS 47 OK 22 33 - 68 - 3.0=56, 3.0/2176=3...(14) HD2 LYS 12 - HE2 LYS 13 OK 18 92 - 19 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD3 LYS 12 - HE2 LYS 13 OK 18 92 - 19 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD3 LYS 12 - HE2 LYS 24 OK 16 98 - 17 - 3.0/468=2, 3.0/424=1 HD2 LYS 12 - HE2 LYS 24 OK 16 98 - 17 - 3.0/468=2, 3.0/424=1 HD2 LYS 12 - HE3 LYS 24 OK 16 98 - 17 - 3.0/468=2, 3.0/424=1 HD3 LYS 12 - HE3 LYS 24 OK 16 98 - 17 - 3.0/468=2, 3.0/424=1 HD2 LYS 13 - HE3 LYS 12 OK 16 100 - 16 - 466/1.8=2, ~463=1...(4) HD3 LYS 13 - HE3 LYS 12 OK 16 100 - 16 - 465/1.8=2, ~463=1...(4) HD3 LYS 24 - HE3 LYS 12 OK 15 99 - 16 - 466/1.8=2, ~464=1 HD3 LYS 12 - HE3 LYS 13 OK 15 81 - 19 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD2 LYS 12 - HE3 LYS 13 OK 15 81 - 19 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD2 LYS 24 - HE3 LYS 12 OK 15 99 - 16 - 465/1.8=2, ~464=1 HG12 ILE 15 - HE3 LYS 12 OK 13 97 - 13 - ~8445=2, ~10392=2...(4) HD2 LYS 13 - HE3 LYS 24 OK 12 98 - 13 - HD2 LYS 13 - HE2 LYS 24 OK 12 98 - 13 - HD3 LYS 13 - HE2 LYS 24 OK 12 98 - 13 - HD3 LYS 13 - HE3 LYS 24 OK 12 98 - 13 - HD3 LYS 24 - HE2 LYS 13 OK 12 90 - 13 - 3.0/1103=1 HD2 LYS 24 - HE2 LYS 13 OK 11 89 - 13 - 3.0/1103=1 HD3 LYS 66 - HE3 LYS 12 OK 10 100 - 10 - 2947/4.0=1, 2944/4.8=1...(5) HD3 LYS 24 - HE3 LYS 13 OK 10 79 - 13 - 3.0/1104=1 HD2 LYS 24 - HE3 LYS 13 poor 10 78 - 13 - 3.0/1104=1 HD3 LYS 47 - HE2 LYS 24 lone 6 58 - 10 - 3.0/2177=1 HD3 LYS 47 - HE3 LYS 24 lone 6 58 - 10 - 3.0/2177=1 HD2 LYS 13 - HE3 LYS 47 lone 5 65 - 8 - HD2 LYS 13 - HE2 LYS 47 lone 5 65 - 8 - HD3 LYS 13 - HE2 LYS 47 lone 5 65 - 8 - HD3 LYS 13 - HE3 LYS 47 lone 5 65 - 8 - HD3 LYS 90 - HE3 LYS 12 lone 5 99 - 5 - HD3 LYS 47 - HE2 LYS 13 lone 5 51 - 9 - HD3 LYS 24 - HE2 LYS 47 lone 4 64 - 7 - HD3 LYS 24 - HE3 LYS 47 lone 4 64 - 7 - HD2 LYS 24 - HE2 LYS 47 lone 4 63 - 7 - HD2 LYS 24 - HE3 LYS 47 lone 4 63 - 7 - HG12 ILE 15 - HE2 LYS 13 lone 4 86 - 5 - HD3 LYS 90 - HE2 LYS 24 lone 4 97 - 4 - HD3 LYS 90 - HE3 LYS 24 lone 4 97 - 4 - HD3 LYS 47 - HE3 LYS 13 lone 4 43 - 9 - HG12 ILE 15 - HE3 LYS 13 lone 3 75 - 5 - HG2 PRO 86 - HE2 LYS 24 lone 3 92 - 4 - HG2 PRO 86 - HE3 LYS 24 lone 3 92 - 4 - HD3 LYS 66 - HE2 LYS 13 lone 3 92 - 3 - HD3 LYS 66 - HE2 LYS 24 lone 3 98 - 3 - HD3 LYS 66 - HE3 LYS 24 lone 3 98 - 3 - HB3 ARG 91 - HE3 LYS 47 lone 3 36 - 9 - HB3 ARG 91 - HE2 LYS 47 lone 3 36 - 9 - HD3 LYS 66 - HE3 LYS 13 lone 3 80 - 3 - HB2 LEU 2 - HE2 LYS 13 lone 3 92 - 3 - HB2 LEU 2 - HE2 LYS 24 lone 2 98 - 2 - HB2 LEU 2 - HE3 LYS 24 lone 2 98 - 2 - HB2 LEU 2 - HE3 LYS 13 lone 2 80 - 3 - HD2 LYS 12 - HE2 LYS 47 lone 2 65 - 3 - HD2 LYS 12 - HE3 LYS 47 lone 2 65 - 3 - HD3 LYS 12 - HE3 LYS 47 lone 2 65 - 3 - HD3 LYS 12 - HE2 LYS 47 lone 2 65 - 3 - HG2 PRO 86 - HE2 LYS 13 lone 2 84 - 2 - HB2 LEU 2 - HE3 LYS 12 lone 2 100 - 2 - HG LEU 70 - HE3 LYS 12 lone 2 100 - 2 - HG LEU 70 - HE2 LYS 13 lone 2 91 - 2 - HG12 ILE 15 - HE3 LYS 24 lone 2 94 - 2 - HG12 ILE 15 - HE2 LYS 24 lone 2 94 - 2 - HG2 PRO 86 - HE3 LYS 13 lone 2 73 - 2 - HG LEU 70 - HE3 LYS 13 lone 2 80 - 2 - HD3 LYS 90 - HE2 LYS 13 lone 1 90 - 2 - HG2 PRO 86 - HE3 LYS 12 lone 1 96 - 1 - HD3 LYS 90 - HE3 LYS 13 lone 1 79 - 2 - HB3 LEU 70 - HE3 LYS 12 lone 1 77 - 1 - HB3 LYS 40 - HE3 LYS 12 lone 1 70 - 2 - HD3 LYS 47 - HE3 LYS 12 lone 1 61 - 2 - HB3 LEU 70 - HE2 LYS 13 lone 1 65 - 1 - HG2 PRO 86 - HE2 LYS 47 lone 1 58 - 1 - HG2 PRO 86 - HE3 LYS 47 lone 1 58 - 1 - HG LEU 70 - HE3 LYS 24 lone 1 98 - 1 - HG LEU 70 - HE2 LYS 24 lone 1 98 - 1 - HB3 LEU 70 - HE3 LYS 13 lone 1 55 - 1 - HG12 ILE 15 - HE2 LYS 47 lone 1 60 - 1 - HG12 ILE 15 - HE3 LYS 47 lone 1 60 - 1 - HD3 LYS 90 - HE2 LYS 47 lone 1 64 - 1 - HD3 LYS 90 - HE3 LYS 47 lone 1 64 - 1 - HB3 ARG 91 - HE3 LYS 12 lone 1 65 - 1 - HD3 LYS 66 - HE2 LYS 47 lone 1 65 - 1 - HD3 LYS 66 - HE3 LYS 47 lone 1 65 - 1 - HB3 ARG 91 - HE2 LYS 13 lone 0 55 - 1 - HB3 LYS 53 - HE3 LYS 12 lone 0 77 - 1 - HB3 LEU 70 - HE2 LYS 24 lone 0 73 - 1 - HB3 LEU 70 - HE3 LYS 24 lone 0 73 - 1 - HB3 ARG 91 - HE3 LYS 24 lone 0 61 - 1 - HB3 ARG 91 - HE2 LYS 24 lone 0 61 - 1 - HB3 ARG 91 - HE3 LYS 13 lone 0 46 - 1 - HG LEU 70 - HE2 LYS 47 lone 0 65 - 1 - HG LEU 70 - HE3 LYS 47 lone 0 65 - 1 - HB2 LEU 2 - HE2 LYS 47 lone 0 65 - 0 - HB2 LEU 2 - HE3 LYS 47 lone 0 65 - 0 - HB3 LYS 53 - HE3 LYS 24 lone 0 73 - 0 - HB3 LYS 53 - HE2 LYS 24 lone 0 73 - 0 - HB3 LYS 40 - HE2 LYS 13 lone 0 58 - 0 - HB3 LYS 40 - HE3 LYS 47 lone 0 38 - 1 - HB3 LYS 40 - HE2 LYS 47 lone 0 38 - 1 - HB3 LYS 40 - HE3 LYS 24 lone 0 65 - 0 - HB3 LYS 40 - HE2 LYS 24 lone 0 65 - 0 - HB3 LYS 40 - HE3 LYS 13 lone 0 49 - 0 - HB3 LYS 53 - HE2 LYS 47 lone 0 43 - 1 - HB3 LYS 53 - HE3 LYS 47 lone 0 43 - 1 - HB3 LYS 53 - HE2 LYS 13 lone 0 65 - 0 - HB3 LEU 70 - HE3 LYS 47 lone 0 43 - 0 - HB3 LEU 70 - HE2 LYS 47 lone 0 43 - 0 - HB3 LYS 53 - HE3 LYS 13 lone 0 55 - 0 - Peak 477 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.45 A): 10 out of 119 assignments used, quality = 1.00: * HD3 LYS 12 + HE3 LYS 12 OK 71 100 - 71 - 3.0=55, 465/1.8=7...(13) HD2 LYS 12 + HE3 LYS 12 OK 71 100 - 71 - 3.0=55, 465/1.8=7...(13) HD3 LYS 24 + HE2 LYS 24 OK 67 97 - 69 - 3.0=56, 1102/3.7=3...(8) HD3 LYS 24 + HE3 LYS 24 OK 67 97 - 69 - 3.0=56, 1102/3.7=3...(8) HD2 LYS 24 + HE2 LYS 24 OK 67 96 - 69 - 3.0=56, 1102/3.7=3...(8) HD2 LYS 24 + HE3 LYS 24 OK 67 96 - 69 - 3.0=56, 1102/3.7=3...(8) HD2 LYS 13 + HE2 LYS 13 OK 64 92 - 69 - 2.9=58, 524/3.8=3...(6) HD3 LYS 13 + HE2 LYS 13 OK 64 91 - 70 - 2.9=58, 524/3.8=3...(6) HD2 LYS 13 + HE3 LYS 13 OK 56 81 - 69 - 2.9=58, 524/3.8=3...(6) HD3 LYS 13 + HE3 LYS 13 OK 56 80 - 70 - 2.9=58, 524/3.8=3...(6) HD3 LYS 47 - HE3 LYS 47 OK 22 33 - 68 - 3.0=56, 3.0/2176=3...(14) HD3 LYS 47 - HE2 LYS 47 OK 22 33 - 68 - 3.0=56, 3.0/2176=3...(14) HD2 LYS 12 - HE2 LYS 13 OK 18 92 - 19 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD3 LYS 12 - HE2 LYS 13 OK 18 92 - 19 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD3 LYS 12 - HE2 LYS 24 OK 16 98 - 17 - 3.0/468=2, 3.0/424=1 HD2 LYS 12 - HE2 LYS 24 OK 16 98 - 17 - 3.0/468=2, 3.0/424=1 HD2 LYS 12 - HE3 LYS 24 OK 16 98 - 17 - 3.0/468=2, 3.0/424=1 HD3 LYS 12 - HE3 LYS 24 OK 16 98 - 17 - 3.0/468=2, 3.0/424=1 HD2 LYS 13 - HE3 LYS 12 OK 16 100 - 16 - 466/1.8=2, ~463=1...(4) HD3 LYS 13 - HE3 LYS 12 OK 16 100 - 16 - 465/1.8=2, ~463=1...(4) HD3 LYS 24 - HE3 LYS 12 OK 15 99 - 16 - 466/1.8=2, ~464=1 HD3 LYS 12 - HE3 LYS 13 OK 15 81 - 19 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD2 LYS 12 - HE3 LYS 13 OK 15 81 - 19 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD2 LYS 24 - HE3 LYS 12 OK 15 99 - 16 - 465/1.8=2, ~464=1 HG12 ILE 15 - HE3 LYS 12 OK 13 97 - 13 - ~8445=2, ~10392=2...(4) HD2 LYS 13 - HE3 LYS 24 OK 12 98 - 13 - HD2 LYS 13 - HE2 LYS 24 OK 12 98 - 13 - HD3 LYS 13 - HE2 LYS 24 OK 12 98 - 13 - HD3 LYS 13 - HE3 LYS 24 OK 12 98 - 13 - HD3 LYS 24 - HE2 LYS 13 OK 12 90 - 13 - 3.0/1103=1 HD2 LYS 24 - HE2 LYS 13 OK 11 89 - 13 - 3.0/1103=1 HD3 LYS 66 - HE3 LYS 12 OK 10 100 - 10 - 2947/4.0=1, 2944/4.8=1...(5) HD3 LYS 24 - HE3 LYS 13 OK 10 79 - 13 - 3.0/1104=1 HD2 LYS 24 - HE3 LYS 13 poor 10 78 - 13 - 3.0/1104=1 HD3 LYS 47 - HE2 LYS 24 lone 6 58 - 10 - 3.0/2177=1 HD3 LYS 47 - HE3 LYS 24 lone 6 58 - 10 - 3.0/2177=1 HD2 LYS 13 - HE3 LYS 47 lone 5 65 - 8 - HD2 LYS 13 - HE2 LYS 47 lone 5 65 - 8 - HD3 LYS 13 - HE2 LYS 47 lone 5 65 - 8 - HD3 LYS 13 - HE3 LYS 47 lone 5 65 - 8 - HD3 LYS 90 - HE3 LYS 12 lone 5 99 - 5 - HD3 LYS 47 - HE2 LYS 13 lone 5 51 - 9 - HD3 LYS 24 - HE2 LYS 47 lone 4 64 - 7 - HD3 LYS 24 - HE3 LYS 47 lone 4 64 - 7 - HD2 LYS 24 - HE2 LYS 47 lone 4 63 - 7 - HD2 LYS 24 - HE3 LYS 47 lone 4 63 - 7 - HG12 ILE 15 - HE2 LYS 13 lone 4 86 - 5 - HD3 LYS 90 - HE2 LYS 24 lone 4 97 - 4 - HD3 LYS 90 - HE3 LYS 24 lone 4 97 - 4 - HD3 LYS 47 - HE3 LYS 13 lone 4 43 - 9 - HG12 ILE 15 - HE3 LYS 13 lone 3 75 - 5 - HG2 PRO 86 - HE2 LYS 24 lone 3 92 - 4 - HG2 PRO 86 - HE3 LYS 24 lone 3 92 - 4 - HD3 LYS 66 - HE2 LYS 13 lone 3 92 - 3 - HD3 LYS 66 - HE2 LYS 24 lone 3 98 - 3 - HD3 LYS 66 - HE3 LYS 24 lone 3 98 - 3 - HB3 ARG 91 - HE3 LYS 47 lone 3 36 - 9 - HB3 ARG 91 - HE2 LYS 47 lone 3 36 - 9 - HD3 LYS 66 - HE3 LYS 13 lone 3 80 - 3 - HB2 LEU 2 - HE2 LYS 13 lone 3 92 - 3 - HB2 LEU 2 - HE2 LYS 24 lone 2 98 - 2 - HB2 LEU 2 - HE3 LYS 24 lone 2 98 - 2 - HB2 LEU 2 - HE3 LYS 13 lone 2 80 - 3 - HD2 LYS 12 - HE2 LYS 47 lone 2 65 - 3 - HD2 LYS 12 - HE3 LYS 47 lone 2 65 - 3 - HD3 LYS 12 - HE3 LYS 47 lone 2 65 - 3 - HD3 LYS 12 - HE2 LYS 47 lone 2 65 - 3 - HG2 PRO 86 - HE2 LYS 13 lone 2 84 - 2 - HB2 LEU 2 - HE3 LYS 12 lone 2 100 - 2 - HG LEU 70 - HE3 LYS 12 lone 2 100 - 2 - HG LEU 70 - HE2 LYS 13 lone 2 91 - 2 - HG12 ILE 15 - HE3 LYS 24 lone 2 94 - 2 - HG12 ILE 15 - HE2 LYS 24 lone 2 94 - 2 - HG2 PRO 86 - HE3 LYS 13 lone 2 73 - 2 - HG LEU 70 - HE3 LYS 13 lone 2 80 - 2 - HD3 LYS 90 - HE2 LYS 13 lone 1 90 - 2 - HG2 PRO 86 - HE3 LYS 12 lone 1 96 - 1 - HD3 LYS 90 - HE3 LYS 13 lone 1 79 - 2 - HB3 LEU 70 - HE3 LYS 12 lone 1 77 - 1 - HB3 LYS 40 - HE3 LYS 12 lone 1 70 - 2 - HD3 LYS 47 - HE3 LYS 12 lone 1 61 - 2 - HB3 LEU 70 - HE2 LYS 13 lone 1 65 - 1 - HG2 PRO 86 - HE2 LYS 47 lone 1 58 - 1 - HG2 PRO 86 - HE3 LYS 47 lone 1 58 - 1 - HG LEU 70 - HE3 LYS 24 lone 1 98 - 1 - HG LEU 70 - HE2 LYS 24 lone 1 98 - 1 - HB3 LEU 70 - HE3 LYS 13 lone 1 55 - 1 - HG12 ILE 15 - HE2 LYS 47 lone 1 60 - 1 - HG12 ILE 15 - HE3 LYS 47 lone 1 60 - 1 - HD3 LYS 90 - HE2 LYS 47 lone 1 64 - 1 - HD3 LYS 90 - HE3 LYS 47 lone 1 64 - 1 - HB3 ARG 91 - HE3 LYS 12 lone 1 65 - 1 - HD3 LYS 66 - HE2 LYS 47 lone 1 65 - 1 - HD3 LYS 66 - HE3 LYS 47 lone 1 65 - 1 - HB3 ARG 91 - HE2 LYS 13 lone 0 55 - 1 - HB3 LYS 53 - HE3 LYS 12 lone 0 77 - 1 - HB3 LEU 70 - HE2 LYS 24 lone 0 73 - 1 - HB3 LEU 70 - HE3 LYS 24 lone 0 73 - 1 - HB3 ARG 91 - HE3 LYS 24 lone 0 61 - 1 - HB3 ARG 91 - HE2 LYS 24 lone 0 61 - 1 - HB3 ARG 91 - HE3 LYS 13 lone 0 46 - 1 - HG LEU 70 - HE2 LYS 47 lone 0 65 - 1 - HG LEU 70 - HE3 LYS 47 lone 0 65 - 1 - HB2 LEU 2 - HE2 LYS 47 lone 0 65 - 0 - HB2 LEU 2 - HE3 LYS 47 lone 0 65 - 0 - HB3 LYS 53 - HE3 LYS 24 lone 0 73 - 0 - HB3 LYS 53 - HE2 LYS 24 lone 0 73 - 0 - HB3 LYS 40 - HE2 LYS 13 lone 0 58 - 0 - HB3 LYS 40 - HE3 LYS 47 lone 0 38 - 1 - HB3 LYS 40 - HE2 LYS 47 lone 0 38 - 1 - HB3 LYS 40 - HE3 LYS 24 lone 0 65 - 0 - HB3 LYS 40 - HE2 LYS 24 lone 0 65 - 0 - HB3 LYS 40 - HE3 LYS 13 lone 0 49 - 0 - HB3 LYS 53 - HE2 LYS 47 lone 0 43 - 1 - HB3 LYS 53 - HE3 LYS 47 lone 0 43 - 1 - HB3 LYS 53 - HE2 LYS 13 lone 0 65 - 0 - HB3 LEU 70 - HE3 LYS 47 lone 0 43 - 0 - HB3 LEU 70 - HE2 LYS 47 lone 0 43 - 0 - HB3 LYS 53 - HE3 LYS 13 lone 0 55 - 0 - Peak 478 from cnoeabs.peaks (3.01, 2.96, 41.80 ppm; 2.40 A): 1 out of 35 assignments used, quality = 1.00: * HE2 LYS 12 + HE3 LYS 12 OK 100 100 - 100 - 1.8=100 HE2 LYS 12 - HE2 LYS 24 OK 15 98 - 16 - 468=4, 468/1.8=3...(5) HE2 LYS 12 - HE3 LYS 24 OK 15 98 - 16 - 468=4, 468/1.8=3...(5) HE2 LYS 12 - HE2 LYS 13 OK 14 92 - 16 - 468=4, 468/1.8=2...(6) HE2 LYS 12 - HE3 LYS 13 OK 12 81 - 16 - 468=4, 468/1.8=3...(5) HB3 ASP 11 - HE3 LYS 12 lone 5 84 - 6 - 423/4.0=1, 4.5/6159=1 HB2 SER 9 - HE3 LYS 12 lone 3 73 - 4 - HE2 LYS 33 - HE3 LYS 12 lone 2 84 - 2 - HE3 LYS 33 - HE3 LYS 12 lone 2 84 - 2 - HE2 LYS 12 - HE2 LYS 47 lone 2 65 - 2 - HE2 LYS 12 - HE3 LYS 47 lone 2 65 - 2 - HE2 LYS 33 - HE2 LYS 13 lone 1 72 - 2 - HE3 LYS 33 - HE2 LYS 13 lone 1 72 - 2 - HB3 ASP 11 - HE2 LYS 13 lone 1 72 - 2 - HB2 SER 9 - HE2 LYS 47 lone 1 41 - 3 - HB2 SER 9 - HE3 LYS 47 lone 1 41 - 3 - HE3 LYS 33 - HE3 LYS 13 lone 1 61 - 2 - HE2 LYS 33 - HE3 LYS 13 lone 1 61 - 2 - HE2 LYS 33 - HE3 LYS 24 lone 1 80 - 1 - HE2 LYS 33 - HE2 LYS 24 lone 1 80 - 1 - HE3 LYS 33 - HE3 LYS 24 lone 1 80 - 1 - HE3 LYS 33 - HE2 LYS 24 lone 1 80 - 1 - HB2 SER 9 - HE2 LYS 13 lone 1 62 - 2 - HB3 ASP 11 - HE3 LYS 13 lone 1 61 - 2 - HB2 SER 9 - HE2 LYS 24 lone 1 69 - 1 - HB2 SER 9 - HE3 LYS 24 lone 1 69 - 1 - HB3 ASP 11 - HE3 LYS 24 lone 1 80 - 1 - HB3 ASP 11 - HE2 LYS 24 lone 1 80 - 1 - HB2 SER 9 - HE3 LYS 13 lone 1 52 - 1 - HB3 ASP 11 - HE3 LYS 47 lone 0 48 - 0 - HB3 ASP 11 - HE2 LYS 47 lone 0 48 - 0 - HE3 LYS 33 - HE3 LYS 47 lone 0 48 - 0 - HE3 LYS 33 - HE2 LYS 47 lone 0 48 - 0 - HE2 LYS 33 - HE2 LYS 47 lone 0 48 - 0 - HE2 LYS 33 - HE3 LYS 47 lone 0 48 - 0 - Peak 479 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HE3 LYS 12 + HE3 LYS 12 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 97 97 - 100 HE2 LYS 13 + HE2 LYS 13 OK 89 89 - 100 HE3 LYS 13 + HE3 LYS 13 OK 75 75 - 100 HE3 LYS 47 + HE3 LYS 47 OK 57 57 - 100 HE2 LYS 47 + HE2 LYS 47 OK 57 57 - 100 Peak 481 from cnoeabs.peaks (8.07, 4.15, 58.53 ppm; 3.29 A): 2 out of 12 assignments used, quality = 1.00: * H LYS 13 + HA LYS 13 OK 100 100 - 100 - 2.9=100 H ILE 15 + HA LYS 13 OK 51 100 - 51 - 6208=13, 6209/3.6=13...(12) H GLU 75 - HA LYS 13 OK 30 100 - 30 - 7245/3.6=5, 2.9/9619=4...(12) H GLU 75 - HA GLN 72 OK 29 70 - 41 - 2.9/9619=8, 10827/3.0=6...(16) H GLU 17 - HA LYS 13 OK 20 87 - 24 - 4.6/492=6, 10427=4...(5) H LYS 39 - HA LYS 13 OK 15 96 - 15 - 4.6/493=2, 3.6/8392=2...(7) H GLU 17 - HA GLN 72 OK 14 54 - 27 - 6257/3.0=5, 10427=5...(10) H LYS 13 - HA GLN 72 OK 13 70 - 19 - 6173=5, 10827/3.0=2...(4) H ILE 15 - HA GLN 72 OK 10 70 - 14 - 6208=4, 10827/3.0=2...(4) H SER 102 - HA LYS 13 lone 6 73 - 8 - 4.6/10099=4, 3.6/8392=1 H LYS 39 - HA GLN 72 lone 5 63 - 8 - 10827/3.0=2, 6613/3.6=1 H SER 102 - HA GLN 72 lone 1 44 - 2 - 4.6/10099=1 Peak 482 from cnoeabs.peaks (4.15, 4.15, 58.53 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 13 + HA LYS 13 OK 100 100 - 100 HA GLN 72 + HA GLN 72 OK 70 70 - 100 Peak 483 from cnoeabs.peaks (1.92, 4.15, 58.53 ppm; 2.79 A): 2 out of 20 assignments used, quality = 0.99: * HB2 LYS 13 + HA LYS 13 OK 90 100 - 90 - 3.0=82, 3.0/518=8...(18) HB3 LYS 13 + HA LYS 13 OK 90 100 - 90 - 3.0=82, 3.0/518=8...(18) HB3 LEU 14 - HA LYS 13 OK 26 81 - 32 - 602/3.6=6, 4.4/6208=5...(14) HB3 LYS 47 - HA LYS 13 OK 21 96 - 22 - 2147=3, 3.0/2169=2...(8) HB3 LYS 47 - HA GLN 72 OK 11 63 - 18 - ~10839=2, 2147=2...(8) HB3 LYS 33 - HA LYS 13 lone 9 100 - 9 - 1440/3.9=1, 519/3.9=1 HB2 LYS 33 - HA LYS 13 lone 9 100 - 9 - 1429/3.9=1 HB2 LYS 13 - HA GLN 72 poor 8 70 - 11 - 496=2, 4.0/6173=1...(4) HB3 LYS 13 - HA GLN 72 poor 8 69 - 11 - 507=2, 4.0/6173=1...(4) HB2 LYS 94 - HA LYS 13 lone 6 98 - 6 - HB2 GLU 43 - HA LYS 13 lone 4 92 - 4 - HB2 LYS 94 - HA GLN 72 lone 3 66 - 5 - ~10841=1 HB3 LEU 14 - HA GLN 72 lone 3 49 - 6 - 4.4/6208=1, 3.8/6188=1 HB3 ARG 19 - HA LYS 13 lone 1 84 - 2 - HB3 ARG 19 - HA GLN 72 lone 1 52 - 1 - HB3 LYS 20 - HA LYS 13 lone 1 65 - 1 - HB2 GLU 43 - HA GLN 72 lone 1 59 - 1 - HB3 LYS 33 - HA GLN 72 lone 0 70 - 1 - HB2 LYS 33 - HA GLN 72 lone 0 70 - 1 - HB3 LYS 20 - HA GLN 72 lone 0 38 - 1 - Peak 484 from cnoeabs.peaks (1.91, 4.15, 58.53 ppm; 2.79 A): 2 out of 22 assignments used, quality = 0.99: * HB3 LYS 13 + HA LYS 13 OK 90 100 - 90 - 3.0=82, 3.0/518=8...(18) HB2 LYS 13 + HA LYS 13 OK 90 100 - 90 - 3.0=82, 3.0/518=8...(18) HB3 LEU 14 - HA LYS 13 OK 28 87 - 33 - 602/3.6=7, 4.4/6208=5...(14) HB3 LYS 47 - HA LYS 13 OK 20 92 - 22 - 2147=2, 3.0/2169=2...(8) HB3 LYS 47 - HA GLN 72 OK 11 59 - 18 - ~10839=2, 2147=2...(8) HB3 LYS 33 - HA LYS 13 lone 9 100 - 9 - 1440/3.9=1 HB2 LYS 33 - HA LYS 13 lone 9 100 - 9 - 1429/3.9=1 HB3 LYS 13 - HA GLN 72 poor 8 70 - 11 - 507=2, 4.0/6173=1...(4) HB2 LYS 13 - HA GLN 72 poor 8 69 - 11 - 496=2, 4.0/6173=1...(4) HB ILE 8 - HA LYS 13 poor 6 61 - 10 - ~8390=5, 6199/3.6=1, 6175/2.9=1 HB2 LYS 94 - HA LYS 13 lone 6 96 - 6 - HB2 GLU 43 - HA LYS 13 lone 4 96 - 4 - HB3 LEU 14 - HA GLN 72 lone 3 54 - 6 - 4.4/6208=1, 3.8/6188=1 HB2 LYS 94 - HA GLN 72 lone 3 63 - 5 - ~10841=1 HG LEU 42 - HA LYS 13 lone 3 65 - 4 - HB3 ARG 19 - HA LYS 13 lone 1 77 - 2 - HB2 GLU 43 - HA GLN 72 lone 1 63 - 1 - HB ILE 8 - HA GLN 72 lone 1 36 - 2 - HB3 ARG 19 - HA GLN 72 lone 1 47 - 1 - HG LEU 42 - HA GLN 72 lone 0 38 - 1 - HB3 LYS 33 - HA GLN 72 lone 0 70 - 1 - HB2 LYS 33 - HA GLN 72 lone 0 69 - 1 - Peak 485 from cnoeabs.peaks (1.43, 4.15, 58.53 ppm; 3.50 A): 2 out of 14 assignments used, quality = 0.95: * HG2 LYS 13 + HA LYS 13 OK 92 100 - 92 - 3.9=71, 517/2.9=12...(31) HG2 LYS 12 + HA LYS 13 OK 37 77 - 49 - 425/2.9=6, 3.7/8392=4...(21) HG3 LYS 39 - HA LYS 13 OK 19 90 - 21 - 1713/2.9=5, ~1702=2...(7) HG13 ILE 76 - HA LYS 13 OK 16 98 - 16 - 4.5/9650=4, 3441/3.6=4...(6) HG12 ILE 7 - HA LYS 13 OK 12 98 - 12 - 6191/3.6=3, 6176/2.9=2...(5) HG2 LYS 13 - HA GLN 72 poor 10 70 - 14 - 518=3, 4.8/6173=2...(6) QB ALA 22 - HA LYS 13 lone 7 99 - 7 - 6176/2.9=1, 3.6/6364=1 HG LEU 29 - HA LYS 13 lone 5 99 - 5 - 6176/2.9=1 QB ALA 22 - HA GLN 72 lone 5 67 - 7 - 3.6/6364=2, 8584/3.0=1 HG13 ILE 76 - HA GLN 72 lone 4 66 - 6 - 4.5/9650=3 HG3 LYS 39 - HA GLN 72 lone 3 57 - 6 - HG12 ILE 7 - HA GLN 72 lone 2 66 - 4 - 7170/3.0=1 HG2 LYS 12 - HA GLN 72 lone 2 47 - 5 - HG LEU 29 - HA GLN 72 lone 1 67 - 2 - Peak 486 from cnoeabs.peaks (1.50, 4.15, 58.53 ppm; 3.32 A): 3 out of 24 assignments used, quality = 0.93: * HG3 LYS 13 + HA LYS 13 OK 87 100 - 87 - 3.9=61, 1.8/518=15...(21) HG2 LYS 47 + HA LYS 13 OK 31 98 - 32 - 1.8/2169=4, 2158=3...(13) HG3 LYS 24 + HA LYS 13 OK 21 90 - 24 - 6177/2.9=2, 3.0/488=2...(10) HG2 LYS 47 - HA GLN 72 OK 20 66 - 31 - 12182/3.0=5, ~10841=4...(11) HG2 LYS 73 - HA GLN 72 OK 18 67 - 27 - 3260/3.6=7, 12182/3.0=4...(8) HG2 LYS 73 - HA LYS 13 OK 17 99 - 17 - 6177/2.9=2, 529=2...(6) HG3 LYS 33 - HA LYS 13 OK 16 97 - 16 - 522/3.9=2, 6192/3.6=2...(8) HB3 LEU 64 - HA GLN 72 OK 12 64 - 18 - 2825/3.0=4, 3.1/8385=3...(7) HG3 LYS 66 - HA LYS 13 OK 12 99 - 11 - 6177/2.9=2 HG2 LYS 66 - HA LYS 13 OK 11 98 - 11 - 6177/2.9=2 HG3 LYS 13 - HA GLN 72 OK 10 70 - 14 - 1.8/518=2, 7207/3.6=2...(7) HB3 LEU 64 - HA LYS 13 lone 7 97 - 7 - 6192/3.6=2, 3.1/8385=1 HG LEU 2 - HA LYS 13 lone 6 65 - 9 - 2.1/12305=1, 3.0/10355=1 HG LEU 64 - HA GLN 72 poor 6 41 - 14 - 2.1/8385=3, ~2849=2...(6) HB2 ARG 91 - HA LYS 13 lone 5 90 - 5 - HG LEU 57 - HA LYS 13 lone 4 99 - 4 - HG LEU 64 - HA LYS 13 lone 4 70 - 5 - 2.1/8385=1 HG3 LYS 66 - HA GLN 72 lone 3 68 - 5 - ~10776=1, ~9557=1 HG2 LYS 66 - HA GLN 72 lone 3 66 - 5 - ~10776=1, ~9557=1 HG3 LYS 24 - HA GLN 72 lone 3 57 - 5 - 7207/3.6=2 HG LEU 2 - HA GLN 72 lone 3 38 - 8 - 75/3.6=2, 4.7/6003=2...(5) HB2 ARG 91 - HA GLN 72 lone 1 57 - 2 - HG LEU 57 - HA GLN 72 lone 1 68 - 2 - HG3 LYS 33 - HA GLN 72 lone 1 64 - 1 - Peak 487 from cnoeabs.peaks (1.70, 4.15, 58.53 ppm; 3.57 A): 4 out of 34 assignments used, quality = 0.99: * HD2 LYS 13 + HA LYS 13 OK 80 100 - 80 - 5.5=28, 3.0/518=13...(40) HD3 LYS 13 + HA LYS 13 OK 80 100 - 80 - 5.5=28, 3.0/518=13...(40) HD3 LYS 12 + HA LYS 13 OK 57 100 - 57 - 3.0/485=5, ~425=4, 551=4...(30) HD2 LYS 12 + HA LYS 13 OK 57 100 - 57 - 3.0/485=5, ~425=4, 551=4...(30) HD3 LYS 24 - HA LYS 13 OK 35 99 - 35 - 540=2, 3.0/486=2...(12) HD2 LYS 24 - HA LYS 13 OK 35 99 - 35 - 540=2, 3.0/486=2...(12) HG12 ILE 15 - HA LYS 13 OK 28 97 - 30 - 4.6/6208=7, ~677=3...(10) HD3 LYS 47 - HA LYS 13 OK 18 61 - 30 - 3.0/2169=4, 3.0/486=3...(9) HG2 PRO 86 - HA LYS 13 OK 13 96 - 14 - 2.3/10833=2, 2.3/10833=2...(4) HB2 LEU 2 - HA LYS 13 OK 12 100 - 12 - 1.8/10355=1, 3.1/12305=1...(5) HD3 LYS 66 - HA LYS 13 lone 10 100 - 10 - ~6168=1, 6179/2.9=1...(4) HB2 LEU 2 - HA GLN 72 poor 10 70 - 14 - 59/3.6=5, 4.0/6003=2...(5) HG LEU 70 - HA LYS 13 lone 8 100 - 8 - 10959/3.9=1 HD2 LYS 13 - HA GLN 72 poor 8 70 - 11 - 3.0/518=2, 6.0/6173=1...(5) HD3 LYS 13 - HA GLN 72 poor 8 69 - 11 - 3.0/518=2, 6.0/6173=1...(5) HD3 LYS 47 - HA GLN 72 poor 8 36 - 22 - ~10841=4, 3.0/2169=3...(9) HD3 LYS 90 - HA LYS 13 lone 7 99 - 7 - 5.2/8391=1 HG12 ILE 15 - HA GLN 72 lone 4 64 - 7 - 4.6/6208=2, ~10847=1 HB3 LEU 70 - HA LYS 13 lone 4 77 - 5 - HB3 LYS 40 - HA LYS 13 lone 4 70 - 6 - 3.0/8392=2, ~6164=1 HD3 LYS 12 - HA GLN 72 lone 4 70 - 5 - HD2 LYS 12 - HA GLN 72 lone 4 70 - 5 - HB3 ARG 91 - HA LYS 13 lone 3 65 - 4 - HD3 LYS 24 - HA GLN 72 lone 2 68 - 4 - HD2 LYS 24 - HA GLN 72 lone 2 67 - 4 - HG2 PRO 86 - HA GLN 72 lone 2 63 - 3 - HB3 LEU 70 - HA GLN 72 lone 2 47 - 4 - ~9554=2, ~9559=1 HD3 LYS 90 - HA GLN 72 lone 2 68 - 3 - HD3 LYS 66 - HA GLN 72 lone 2 70 - 2 - HB3 LYS 40 - HA GLN 72 lone 1 41 - 3 - HG LEU 70 - HA GLN 72 lone 1 69 - 2 - HB3 LYS 53 - HA LYS 13 lone 1 77 - 1 - HB3 LYS 53 - HA GLN 72 lone 1 47 - 1 - HB3 ARG 91 - HA GLN 72 lone 0 38 - 1 - Peak 488 from cnoeabs.peaks (1.70, 4.15, 58.53 ppm; 3.57 A): 4 out of 30 assignments used, quality = 0.99: * HD3 LYS 13 + HA LYS 13 OK 80 100 - 80 - 5.5=28, 3.0/518=13...(40) HD2 LYS 13 + HA LYS 13 OK 80 100 - 80 - 5.5=28, 3.0/518=13...(40) HD3 LYS 12 + HA LYS 13 OK 57 100 - 57 - 3.0/485=5, ~425=4, 551=4...(30) HD2 LYS 12 + HA LYS 13 OK 57 100 - 57 - 3.0/485=5, ~425=4, 551=4...(30) HD3 LYS 24 - HA LYS 13 OK 34 98 - 35 - 540=2, 3.0/486=2...(12) HD2 LYS 24 - HA LYS 13 OK 34 97 - 35 - 540=2, 3.0/486=2...(12) HG12 ILE 15 - HA LYS 13 OK 27 94 - 29 - 4.6/6208=7, ~677=3...(10) HG2 PRO 86 - HA LYS 13 OK 12 92 - 14 - 2.3/10833=2, 2.3/10833=2...(4) HB2 LEU 2 - HA LYS 13 OK 12 100 - 12 - 1.8/10355=1, 3.1/12305=1...(5) HD3 LYS 66 - HA LYS 13 lone 10 100 - 10 - ~6168=1, 6179/2.9=1...(4) HB2 LEU 2 - HA GLN 72 poor 10 70 - 14 - 59/3.6=5, 4.0/6003=2...(5) HG LEU 70 - HA LYS 13 lone 8 99 - 8 - HD3 LYS 13 - HA GLN 72 poor 8 70 - 11 - 3.0/518=2, 6.0/6173=1...(5) HD2 LYS 13 - HA GLN 72 poor 8 69 - 11 - 3.0/518=2, 6.0/6173=1...(5) HD3 LYS 90 - HA LYS 13 lone 6 98 - 6 - 5.2/8391=1 HB3 LEU 70 - HA LYS 13 lone 5 84 - 6 - HG12 ILE 15 - HA GLN 72 lone 4 61 - 7 - 4.6/6208=2, ~10847=1 HD2 LYS 12 - HA GLN 72 lone 4 69 - 5 - HD3 LYS 12 - HA GLN 72 lone 4 69 - 5 - HB3 LYS 40 - HA LYS 13 lone 3 61 - 6 - 3.0/8392=2, ~6164=1 HD3 LYS 24 - HA GLN 72 lone 2 66 - 4 - HD2 LYS 24 - HA GLN 72 lone 2 64 - 3 - HB3 LEU 70 - HA GLN 72 lone 2 52 - 4 - ~9554=2, ~9559=1 HG2 PRO 86 - HA GLN 72 lone 2 59 - 3 - HD3 LYS 90 - HA GLN 72 lone 2 66 - 3 - HD3 LYS 66 - HA GLN 72 lone 2 70 - 2 - HG LEU 70 - HA GLN 72 lone 1 68 - 2 - HB3 LYS 40 - HA GLN 72 lone 1 36 - 3 - HB3 LYS 53 - HA LYS 13 lone 1 70 - 1 - HB3 LYS 53 - HA GLN 72 lone 0 41 - 1 - Peak 489 from cnoeabs.peaks (2.96, 4.15, 58.53 ppm; 4.67 A): 5 out of 22 assignments used, quality = 1.00: * HE2 LYS 13 + HA LYS 13 OK 89 100 - 89 - 6.0=47, 3.8/518=18...(39) HE3 LYS 13 + HA LYS 13 OK 89 100 - 89 - 6.0=47, 3.8/518=18...(39) HE3 LYS 12 + HA LYS 13 OK 55 99 - 56 - ~6171=8, 4.0/485=6...(26) HE2 LYS 24 + HA LYS 13 OK 48 100 - 48 - 526/3.9=3, 3.0/488=3...(26) HE3 LYS 24 + HA LYS 13 OK 48 100 - 48 - 526/3.9=3, 3.0/488=3...(26) HE2 LYS 47 - HA LYS 13 OK 33 81 - 42 - 3.8/2169=5, 3.8/486=4...(20) HE3 LYS 47 - HA LYS 13 OK 33 81 - 42 - 3.8/2169=5, 3.8/486=4...(20) HE2 LYS 73 - HA LYS 13 OK 18 94 - 19 - 4.0/486=2, 6181/2.9=1...(7) HE3 LYS 73 - HA LYS 13 OK 17 81 - 21 - 4.0/486=2, 6181/2.9=1...(8) HB3 PHE 45 - HA LYS 13 OK 11 97 - 11 - 4.5/492=4, 6195/3.6=2 HE2 LYS 13 - HA GLN 72 poor 10 70 - 14 - 3.8/518=3, 7211/3.6=2...(6) HE3 LYS 13 - HA GLN 72 poor 10 69 - 14 - 3.8/518=3, 7211/3.6=2...(6) HE2 LYS 73 - HA GLN 72 poor 10 61 - 16 - 7211/3.6=6, 4.0/486=2...(6) HB2 ASN 51 - HA LYS 13 poor 8 81 - 10 - 1.8/9134=3, 3.5/9130=2, 9131=2 HE3 LYS 47 - HA GLN 72 poor 8 49 - 17 - 3.8/2169=4, 3.8/486=3...(7) HE2 LYS 47 - HA GLN 72 poor 8 49 - 17 - 3.8/2169=4, 3.8/486=3...(7) HE3 LYS 73 - HA GLN 72 poor 8 49 - 16 - 7211/3.6=6, 4.0/486=2...(5) HB2 ASN 51 - HA GLN 72 poor 5 49 - 11 - 1.8/9134=2, 9131=2...(5) HE3 LYS 24 - HA GLN 72 lone 5 69 - 7 - 7211/3.6=2 HE2 LYS 24 - HA GLN 72 lone 5 69 - 7 - 7211/3.6=2 HE3 LYS 12 - HA GLN 72 lone 4 67 - 6 - HB3 PHE 45 - HA GLN 72 lone 2 64 - 3 - Peak 490 from cnoeabs.peaks (2.96, 4.15, 58.53 ppm; 4.67 A): 5 out of 24 assignments used, quality = 1.00: * HE3 LYS 13 + HA LYS 13 OK 89 100 - 89 - 6.0=47, 3.8/518=18...(39) HE2 LYS 13 + HA LYS 13 OK 89 100 - 89 - 6.0=47, 3.8/518=18...(39) HE3 LYS 12 + HA LYS 13 OK 54 97 - 56 - ~6171=8, 4.0/485=6...(26) HE2 LYS 24 + HA LYS 13 OK 47 99 - 48 - 526/3.9=3, 3.0/488=3...(26) HE3 LYS 24 + HA LYS 13 OK 47 99 - 48 - 526/3.9=3, 3.0/488=3...(26) HE3 LYS 47 - HA LYS 13 OK 30 73 - 41 - 3.8/2169=5, 3.8/486=4...(20) HE2 LYS 47 - HA LYS 13 OK 30 73 - 41 - 3.8/2169=5, 3.8/486=4...(20) HE2 LYS 73 - HA LYS 13 OK 19 97 - 19 - 4.0/486=2, 6181/2.9=1...(7) HE3 LYS 73 - HA LYS 13 OK 19 87 - 21 - 4.0/486=2, 6181/2.9=1...(9) HE2 LYS 73 - HA GLN 72 OK 10 64 - 16 - 7211/3.6=6, 4.0/486=2...(6) HB3 PHE 45 - HA LYS 13 OK 10 94 - 11 - 4.5/492=4, 6195/3.6=2 HE3 LYS 13 - HA GLN 72 poor 10 70 - 14 - 3.8/518=3, 7211/3.6=2...(6) HE2 LYS 13 - HA GLN 72 poor 10 69 - 14 - 3.8/518=3, 7211/3.6=2...(6) HB2 ASN 51 - HA LYS 13 poor 9 87 - 10 - 1.8/9134=3, 3.5/9130=2, 9131=2 HE3 LYS 73 - HA GLN 72 poor 9 54 - 16 - 7211/3.6=6, 4.0/486=2...(5) HE2 LYS 47 - HA GLN 72 poor 7 44 - 17 - 3.8/2169=4, 3.8/486=3...(7) HE3 LYS 47 - HA GLN 72 poor 7 44 - 17 - 3.8/2169=4, 3.8/486=3...(7) HB2 ASN 51 - HA GLN 72 poor 6 54 - 12 - 9131=2, 1.8/9134=2...(6) HE2 LYS 24 - HA GLN 72 lone 5 68 - 7 - 7211/3.6=2 HE3 LYS 24 - HA GLN 72 lone 5 68 - 7 - 7211/3.6=2 HE3 LYS 12 - HA GLN 72 lone 4 64 - 6 - HG2 MET 21 - HA LYS 13 lone 2 65 - 3 - HB3 PHE 45 - HA GLN 72 lone 2 61 - 3 - HG2 MET 21 - HA GLN 72 lone 1 38 - 4 - Peak 491 from cnoeabs.peaks (7.55, 4.15, 58.53 ppm; 3.92 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 14 + HA LYS 13 OK 100 100 - 100 - 3.6=100 H ILE 76 - HA LYS 13 OK 45 96 - 47 - 6182/2.9=12, 9650=9...(13) H ILE 76 - HA GLN 72 OK 17 63 - 27 - 3.5/9619=10, 9650=6...(4) H LEU 14 - HA GLN 72 OK 13 70 - 19 - 6188=5, 4.6/6208=3...(6) H GLU 88 - HA LYS 13 OK 12 61 - 19 - ~8393=3, 3.0/8391=2...(9) H GLU 88 - HA GLN 72 lone 2 36 - 5 - Peak 492 from cnoeabs.peaks (8.02, 4.15, 58.53 ppm; 3.68 A): 4 out of 6 assignments used, quality = 0.71: * H GLU 16 + HA LYS 13 OK 48 100 - 48 - 6226=14, 6204/3.6=13...(9) H GLY 101 + HA LYS 13 OK 22 97 - 23 - 10099=8, 6204/3.6=4...(6) H GLU 16 + HA GLN 72 OK 17 70 - 24 - 6226=7, 4.6/10427=4...(6) H ARG 46 + HA LYS 13 OK 15 97 - 15 - 6204/3.6=5, 6226=2...(4) H GLY 101 - HA GLN 72 lone 4 64 - 6 - 10099=2 H ARG 46 - HA GLN 72 lone 3 64 - 5 - Peak 493 from cnoeabs.peaks (2.08, 4.15, 58.53 ppm; 3.55 A): 6 out of 20 assignments used, quality = 0.74: * HB2 GLU 16 + HA LYS 13 OK 31 100 - 32 - 4.0/492=9, 695=9...(6) HB3 LEU 38 + HA LYS 13 OK 28 100 - 28 - 3.1/8385=6, 1641/2.9=5...(10) HB2 GLU 16 + HA GLN 72 OK 18 70 - 25 - 695=7, 1.8/703=5...(7) HB2 MET 74 + HA LYS 13 OK 15 84 - 18 - 4.3/9618=3, 2.9/9612=2...(10) HB2 MET 74 + HA GLN 72 OK 14 52 - 28 - 4.3/9618=4, 4.0/10848=4...(11) HB2 GLU 23 + HA GLN 72 OK 12 57 - 22 - 1.8/1029=4, 1021=3...(9) HB3 GLU 88 - HA LYS 13 lone 10 100 - 10 - ~8393=2, 3.0/8391=2...(4) HB2 GLU 23 - HA LYS 13 lone 9 90 - 9 - 1021=1, 1.8/1029=1, 2.9/1043=1 HB3 GLU 43 - HA LYS 13 lone 6 90 - 7 - HB3 GLU 35 - HA LYS 13 lone 4 99 - 4 - 695=1 HB3 GLU 88 - HA GLN 72 lone 4 69 - 5 - HB3 LEU 38 - HA GLN 72 lone 3 69 - 5 - HB3 GLU 35 - HA GLN 72 lone 2 67 - 3 - HB3 GLU 43 - HA GLN 72 lone 1 57 - 2 - HB3 GLU 62 - HA GLN 72 lone 1 52 - 2 - HB3 GLU 62 - HA LYS 13 lone 1 84 - 1 - HG2 GLU 28 - HA LYS 13 lone 1 87 - 1 - HG3 GLU 28 - HA LYS 13 lone 1 87 - 1 - HG3 GLU 28 - HA GLN 72 lone 0 54 - 1 - HG2 GLU 28 - HA GLN 72 lone 0 54 - 1 - Peak 494 from cnoeabs.peaks (2.17, 4.15, 58.53 ppm; 2.96 A): 10 out of 16 assignments used, quality = 0.92: HB2 GLN 72 + HA GLN 72 OK 69 69 - 99 - 3.0=98, 3191/3.0=13...(14) * HB3 GLU 16 + HA LYS 13 OK 23 100 - 23 - 4.0/492=6, 1.8/695=6...(6) HB3 GLU 95 + HA GLN 72 OK 17 64 - 26 - 703=4, 3202/3.0=3...(13) HB3 GLU 16 + HA GLN 72 OK 15 70 - 22 - 703=5, 1.8/695=4...(7) HB3 GLN 50 + HA GLN 72 OK 15 61 - 24 - 703=3, 3202/3.0=3...(11) HB2 GLN 72 + HA LYS 13 OK 13 100 - 13 - 3192=3, 1.8/3201=2...(4) HG2 GLU 75 + HA LYS 13 OK 11 97 - 12 - 4.0/9619=3, 5.0/9618=2...(5) HG3 GLU 75 + HA LYS 13 OK 11 94 - 12 - 4.0/9619=3, 5.0/9618=2...(5) HG2 GLU 75 + HA GLN 72 OK 11 64 - 17 - 4.0/9619=5, 5.0/9618=2...(6) HB3 GLU 23 + HA GLN 72 OK 10 54 - 19 - 1029=3, 1.8/1021=3...(7) HG3 GLU 75 - HA GLN 72 poor 10 61 - 17 - 4.0/9619=5, 5.0/9618=2...(7) HB3 GLU 23 - HA LYS 13 lone 6 87 - 7 - 1.8/493=1 HB3 GLN 50 - HA LYS 13 lone 3 94 - 3 - HB3 GLU 95 - HA LYS 13 lone 2 97 - 2 - HG2 GLU 104 - HA GLN 72 lone 1 38 - 1 - HG2 GLU 104 - HA LYS 13 lone 0 65 - 1 - Peak 495 from cnoeabs.peaks (8.07, 1.92, 31.45 ppm; 2.97 A): 4 out of 12 assignments used, quality = 0.97: * H LYS 13 + HB2 LYS 13 OK 71 100 - 71 - 4.0=40, 6174/1.8=12...(18) H LYS 13 + HB3 LYS 13 OK 71 99 - 71 - 4.0=40, 6174/1.8=12...(18) H ILE 15 + HB2 LYS 13 OK 36 100 - 37 - 6208/3.0=8, 6209/4.6=7...(13) H ILE 15 + HB3 LYS 13 OK 36 99 - 37 - 6208/3.0=8, 6209/4.6=7...(13) H GLU 75 - HB2 LYS 13 OK 14 100 - 14 - 9618/3.0=3, 7245/4.6=3...(7) H GLU 75 - HB3 LYS 13 OK 14 99 - 14 - 9618/3.0=3, 7245/4.6=3...(7) H GLU 17 - HB2 LYS 13 lone 7 87 - 8 - 10427/3.0=2, 6203/4.6=1 H GLU 17 - HB3 LYS 13 lone 7 85 - 8 - 10427/3.0=2, 6203/4.6=1 H LYS 39 - HB3 LYS 13 lone 6 94 - 6 - 517/3.0=1, 481/3.0=1 H LYS 39 - HB2 LYS 13 lone 6 96 - 6 - 517/3.0=1, 481/3.0=1 H SER 102 - HB2 LYS 13 lone 1 73 - 2 - H SER 102 - HB3 LYS 13 lone 1 71 - 2 - Peak 496 from cnoeabs.peaks (4.15, 1.92, 31.45 ppm; 3.05 A): 2 out of 14 assignments used, quality = 1.00: * HA LYS 13 + HB2 LYS 13 OK 100 100 - 100 - 3.0=100 HA LYS 13 + HB3 LYS 13 OK 99 99 - 100 - 3.0=100 HA LYS 47 - HB2 LYS 13 OK 30 90 - 34 - 2125=4, 518/3.0=4...(11) HA LYS 47 - HB3 LYS 13 OK 30 88 - 34 - 2125=4, 518/3.0=4...(11) HA GLN 72 - HB2 LYS 13 OK 13 100 - 13 - 6173/4.0=2, 518/3.0=2...(5) HA GLN 72 - HB3 LYS 13 OK 13 99 - 13 - 6173/4.0=2, 518/3.0=2...(5) HA LYS 73 - HB2 LYS 13 poor 7 70 - 10 - 518/3.0=1 HA LYS 73 - HB3 LYS 13 poor 7 68 - 10 - 518/3.0=1 HA MET 1 - HB2 LYS 13 lone 6 100 - 6 - HA MET 1 - HB3 LYS 13 lone 6 99 - 6 - HA GLU 23 - HB2 LYS 13 lone 5 96 - 5 - HA GLU 23 - HB3 LYS 13 lone 5 94 - 5 - HB2 SER 59 - HB3 LYS 13 lone 4 98 - 4 - HB2 SER 59 - HB2 LYS 13 lone 4 99 - 4 - Peak 497 from cnoeabs.peaks (1.92, 1.92, 31.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 13 + HB2 LYS 13 OK 100 100 - 100 HB3 LYS 13 + HB3 LYS 13 OK 99 99 - 100 Peak 498 from cnoeabs.peaks (1.91, 1.92, 31.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 LYS 13 + HB2 LYS 13 OK 100 100 - 100 HB3 LYS 13 + HB3 LYS 13 OK 99 99 - 100 Reference assignment not found: HB3 LYS 13 - HB2 LYS 13 Peak 499 from cnoeabs.peaks (1.43, 1.92, 31.45 ppm; 3.15 A): 2 out of 14 assignments used, quality = 1.00: * HG2 LYS 13 + HB2 LYS 13 OK 100 100 - 100 - 3.0=100 HG2 LYS 13 + HB3 LYS 13 OK 99 99 - 100 - 3.0=100 HG2 LYS 12 - HB2 LYS 13 OK 24 77 - 31 - 485/3.0=4, 425/4.0=4...(9) HG2 LYS 12 - HB3 LYS 13 OK 23 75 - 31 - 485/3.0=4, 425/4.0=4...(9) HG13 ILE 76 - HB2 LYS 13 OK 14 98 - 14 - 3441/4.6=2, 485/3.0=2...(6) HG13 ILE 76 - HB3 LYS 13 OK 14 97 - 14 - 3441/4.6=2, 485/3.0=2...(6) HG12 ILE 7 - HB3 LYS 13 OK 11 97 - 12 - 6191/4.6=2, 485/3.0=1 HG12 ILE 7 - HB2 LYS 13 OK 11 98 - 11 - 6191/4.6=2, 485/3.0=1 HG3 LYS 39 - HB2 LYS 13 lone 7 90 - 8 - 1713/4.0=3, 485/3.0=2 HG3 LYS 39 - HB3 LYS 13 lone 7 88 - 8 - 1713/4.0=3, 485/3.0=2 QB ALA 22 - HB2 LYS 13 lone 4 99 - 4 - QB ALA 22 - HB3 LYS 13 lone 4 98 - 4 - HG LEU 29 - HB2 LYS 13 lone 4 99 - 4 - HG LEU 29 - HB3 LYS 13 lone 4 98 - 4 - Peak 500 from cnoeabs.peaks (1.50, 1.92, 31.45 ppm; 3.14 A): 2 out of 24 assignments used, quality = 1.00: * HG3 LYS 13 + HB2 LYS 13 OK 100 100 - 100 - 3.0=100 HG3 LYS 13 + HB3 LYS 13 OK 99 99 - 100 - 3.0=100 HG2 LYS 47 - HB2 LYS 13 OK 39 98 - 40 - 1.8/2171=4, 522/3.0=4...(16) HG2 LYS 47 - HB3 LYS 13 OK 39 97 - 40 - 522/3.0=4, 1.8/2171=4...(17) HG3 LYS 33 - HB2 LYS 13 OK 28 97 - 29 - 1.8/1448=3, 522/3.0=2...(13) HG3 LYS 33 - HB3 LYS 13 OK 27 96 - 29 - 1.8/1448=3, 522/3.0=2...(13) HG3 LYS 24 - HB2 LYS 13 OK 23 90 - 26 - 522/3.0=2, 486/3.0=2...(7) HG3 LYS 24 - HB3 LYS 13 OK 22 88 - 26 - 522/3.0=2, 486/3.0=2...(7) HG2 LYS 73 - HB2 LYS 13 OK 15 99 - 15 - 522/3.0=2, 486/3.0=1, 6177/4.0=1 HG2 LYS 73 - HB3 LYS 13 OK 15 98 - 15 - 522/3.0=2, 486/3.0=1, 6177/4.0=1 HG3 LYS 66 - HB2 LYS 13 lone 10 99 - 10 - 522/3.0=1, 6177/4.0=1 HG3 LYS 66 - HB3 LYS 13 lone 10 98 - 10 - 522/3.0=1, 6177/4.0=1 HG2 LYS 66 - HB2 LYS 13 lone 10 98 - 10 - 522/3.0=1, 6177/4.0=1 HG2 LYS 66 - HB3 LYS 13 lone 9 97 - 10 - 522/3.0=1, 6177/4.0=1 HG LEU 2 - HB2 LYS 13 lone 6 65 - 10 - ~10394=1 HG LEU 2 - HB3 LYS 13 lone 6 64 - 10 - ~10394=1 HB2 ARG 91 - HB2 LYS 13 lone 6 90 - 7 - HG LEU 57 - HB2 LYS 13 lone 6 99 - 6 - HG LEU 57 - HB3 LYS 13 lone 6 98 - 6 - HB2 ARG 91 - HB3 LYS 13 lone 6 88 - 7 - HB3 LEU 64 - HB2 LYS 13 lone 5 97 - 5 - HB3 LEU 64 - HB3 LYS 13 lone 5 96 - 5 - HG LEU 64 - HB2 LYS 13 lone 2 70 - 3 - HG LEU 64 - HB3 LYS 13 lone 2 68 - 3 - Peak 501 from cnoeabs.peaks (1.70, 1.92, 31.45 ppm; 3.47 A): 8 out of 34 assignments used, quality = 1.00: * HD2 LYS 13 + HB2 LYS 13 OK 98 100 - 98 - 3.6=90, 524/3.0=9...(53) HD3 LYS 13 + HB2 LYS 13 OK 98 100 - 98 - 3.6=90, 524/3.0=9...(53) HD2 LYS 13 + HB3 LYS 13 OK 97 99 - 98 - 3.6=90, 524/3.0=9...(53) HD3 LYS 13 + HB3 LYS 13 OK 97 99 - 98 - 3.6=90, 524/3.0=9...(53) HD3 LYS 12 + HB2 LYS 13 OK 51 100 - 51 - 524/3.0=3, 488/3.0=3...(25) HD2 LYS 12 + HB2 LYS 13 OK 51 100 - 51 - 524/3.0=3, 488/3.0=3...(25) HD2 LYS 12 + HB3 LYS 13 OK 51 99 - 51 - 524/3.0=3, 488/3.0=3...(25) HD3 LYS 12 + HB3 LYS 13 OK 51 99 - 51 - 524/3.0=3, 488/3.0=3...(25) HD3 LYS 24 - HB2 LYS 13 OK 40 99 - 41 - 524/3.0=2, 488/3.0=2...(14) HD2 LYS 24 - HB2 LYS 13 OK 40 99 - 41 - 524/3.0=2, 488/3.0=2...(14) HD3 LYS 24 - HB3 LYS 13 OK 40 98 - 41 - 524/3.0=2, 488/3.0=2...(14) HD2 LYS 24 - HB3 LYS 13 OK 40 98 - 41 - 524/3.0=2, 488/3.0=2...(14) HD3 LYS 47 - HB2 LYS 13 OK 25 61 - 41 - 3.0/2171=3, 3.0/500=2...(15) HD3 LYS 47 - HB3 LYS 13 OK 25 60 - 42 - 3.0/2171=3, 3.0/500=2...(16) HG12 ILE 15 - HB2 LYS 13 OK 19 97 - 20 - 12025/3.0=3, 4.6/495=2...(10) HG12 ILE 15 - HB3 LYS 13 OK 19 96 - 20 - 12025/3.0=3, 4.6/506=2...(10) HB2 LEU 2 - HB2 LYS 13 OK 11 100 - 11 - 10354/3.0=1, ~10355=1, ~10394=1 HB2 LEU 2 - HB3 LYS 13 OK 11 99 - 11 - 10354/3.0=1, ~10355=1, ~10394=1 HG2 PRO 86 - HB2 LYS 13 lone 10 96 - 10 - 6193/4.6=1, 3.8/9894=1, ~10833=1 HG2 PRO 86 - HB3 LYS 13 lone 9 94 - 10 - 6193/4.6=1, ~10833=1 HD3 LYS 66 - HB2 LYS 13 lone 9 100 - 9 - HD3 LYS 66 - HB3 LYS 13 lone 9 99 - 9 - HG LEU 70 - HB2 LYS 13 lone 8 100 - 8 - 10959/3.0=1, ~10394=1 HG LEU 70 - HB3 LYS 13 lone 8 99 - 8 - 10959/3.0=1, ~10394=1 HD3 LYS 90 - HB2 LYS 13 lone 5 99 - 5 - 5.2/8393=1 HD3 LYS 90 - HB3 LYS 13 lone 5 98 - 5 - 5.2/8393=1 HB3 LEU 70 - HB2 LYS 13 lone 5 77 - 6 - HB3 LEU 70 - HB3 LYS 13 lone 5 75 - 6 - HB3 ARG 91 - HB2 LYS 13 lone 4 65 - 6 - HB3 ARG 91 - HB3 LYS 13 lone 4 64 - 5 - HB3 LYS 40 - HB2 LYS 13 lone 3 70 - 4 - 3.0/1780=1 HB3 LYS 40 - HB3 LYS 13 lone 3 68 - 4 - 3.0/1780=1 HB3 LYS 53 - HB2 LYS 13 lone 1 77 - 1 - HB3 LYS 53 - HB3 LYS 13 lone 1 75 - 1 - Peak 502 from cnoeabs.peaks (1.70, 1.92, 31.45 ppm; 3.47 A): 8 out of 30 assignments used, quality = 1.00: * HD3 LYS 13 + HB2 LYS 13 OK 98 100 - 98 - 3.6=90, 524/3.0=9...(53) HD2 LYS 13 + HB2 LYS 13 OK 98 100 - 98 - 3.6=90, 524/3.0=9...(53) HD3 LYS 13 + HB3 LYS 13 OK 97 99 - 98 - 3.6=90, 524/3.0=9...(53) HD2 LYS 13 + HB3 LYS 13 OK 97 99 - 98 - 3.6=90, 524/3.0=9...(53) HD3 LYS 12 + HB2 LYS 13 OK 51 100 - 51 - 524/3.0=3, 488/3.0=3...(25) HD2 LYS 12 + HB2 LYS 13 OK 51 100 - 51 - 524/3.0=3, 488/3.0=3...(25) HD2 LYS 12 + HB3 LYS 13 OK 50 99 - 51 - 524/3.0=3, 488/3.0=3...(25) HD3 LYS 12 + HB3 LYS 13 OK 50 99 - 51 - 524/3.0=3, 488/3.0=3...(25) HD3 LYS 24 - HB2 LYS 13 OK 40 98 - 41 - 524/3.0=2, 488/3.0=2...(14) HD2 LYS 24 - HB2 LYS 13 OK 39 97 - 41 - 524/3.0=2, 488/3.0=2...(14) HD3 LYS 24 - HB3 LYS 13 OK 39 97 - 41 - 524/3.0=2, 488/3.0=2...(14) HD2 LYS 24 - HB3 LYS 13 OK 39 96 - 41 - 524/3.0=2, 488/3.0=2...(14) HG12 ILE 15 - HB2 LYS 13 OK 18 94 - 20 - 12025/3.0=2, 4.6/495=2...(10) HG12 ILE 15 - HB3 LYS 13 OK 18 92 - 20 - 12025/3.0=2, 4.6/506=2...(10) HB2 LEU 2 - HB2 LYS 13 OK 11 100 - 11 - 10354/3.0=1, ~10355=1, ~10394=1 HB2 LEU 2 - HB3 LYS 13 OK 11 99 - 11 - 10354/3.0=1, ~10355=1, ~10394=1 HG2 PRO 86 - HB2 LYS 13 lone 9 92 - 10 - 6193/4.6=1, 3.8/9894=1, ~10833=1 HD3 LYS 66 - HB2 LYS 13 lone 9 100 - 9 - HD3 LYS 66 - HB3 LYS 13 lone 9 99 - 9 - HG2 PRO 86 - HB3 LYS 13 lone 9 90 - 10 - 6193/4.6=1, ~10833=1 HG LEU 70 - HB2 LYS 13 lone 8 99 - 8 - 10959/3.0=1, ~10394=1 HG LEU 70 - HB3 LYS 13 lone 8 98 - 8 - 10959/3.0=1, ~10394=1 HB3 LEU 70 - HB2 LYS 13 lone 6 84 - 7 - HB3 LEU 70 - HB3 LYS 13 lone 6 82 - 7 - HD3 LYS 90 - HB2 LYS 13 lone 5 98 - 5 - 5.2/8393=1 HD3 LYS 90 - HB3 LYS 13 lone 5 97 - 5 - 5.2/8393=1 HB3 LYS 40 - HB2 LYS 13 lone 3 61 - 4 - 3.0/1780=1 HB3 LYS 40 - HB3 LYS 13 lone 3 60 - 4 - 3.0/1780=1 HB3 LYS 53 - HB2 LYS 13 lone 1 70 - 1 - HB3 LYS 53 - HB3 LYS 13 lone 1 68 - 1 - Peak 503 from cnoeabs.peaks (2.96, 1.92, 31.45 ppm; 4.55 A): 10 out of 22 assignments used, quality = 1.00: * HE2 LYS 13 + HB2 LYS 13 OK 96 100 - 96 - 5.0=74, 576/3.0=6...(56) HE3 LYS 13 + HB2 LYS 13 OK 96 100 - 96 - 5.0=74, 576/3.0=6...(56) HE2 LYS 13 + HB3 LYS 13 OK 95 99 - 96 - 5.0=74, 576/3.0=6...(56) HE3 LYS 13 + HB3 LYS 13 OK 95 99 - 96 - 5.0=74, 576/3.0=6...(56) HE2 LYS 24 + HB2 LYS 13 OK 56 100 - 56 - 526/3.0=4, 489/3.0=3...(33) HE3 LYS 24 + HB2 LYS 13 OK 56 100 - 56 - 526/3.0=4, 489/3.0=3...(33) HE3 LYS 24 + HB3 LYS 13 OK 56 99 - 56 - 526/3.0=4, 489/3.0=3...(33) HE2 LYS 24 + HB3 LYS 13 OK 56 99 - 56 - 526/3.0=4, 489/3.0=3...(33) HE3 LYS 12 + HB2 LYS 13 OK 49 99 - 50 - ~463=5, 6180/4.0=4...(31) HE3 LYS 12 + HB3 LYS 13 OK 49 98 - 50 - ~463=5, 6180/4.0=4...(31) HE3 LYS 47 - HB2 LYS 13 OK 40 81 - 50 - 3.8/2171=4, 3.8/500=3...(28) HE2 LYS 47 - HB2 LYS 13 OK 40 81 - 50 - 3.8/2171=4, 3.8/500=3...(28) HE3 LYS 47 - HB3 LYS 13 OK 39 79 - 50 - 3.8/2171=4, 3.8/500=3...(30) HE2 LYS 47 - HB3 LYS 13 OK 39 79 - 50 - 3.8/2171=4, 3.8/500=3...(30) HE2 LYS 73 - HB2 LYS 13 OK 20 94 - 21 - 526/3.0=2, ~3319=1...(7) HE2 LYS 73 - HB3 LYS 13 OK 20 92 - 21 - 526/3.0=2, ~3319=1...(7) HE3 LYS 73 - HB2 LYS 13 OK 19 81 - 23 - 526/3.0=1, 3319/3.0=1...(7) HE3 LYS 73 - HB3 LYS 13 OK 18 79 - 23 - 526/3.0=1, 3319/3.0=1...(7) HB2 ASN 51 - HB2 LYS 13 lone 7 81 - 8 - ~9134=2, 9131/3.0=1, ~9130=1 HB2 ASN 51 - HB3 LYS 13 lone 6 79 - 8 - ~9134=2, 9131/3.0=1, ~9130=1 HB3 PHE 45 - HB2 LYS 13 lone 6 97 - 6 - 6195/4.6=2 HB3 PHE 45 - HB3 LYS 13 lone 6 96 - 6 - 6195/4.6=2 Peak 504 from cnoeabs.peaks (2.96, 1.92, 31.45 ppm; 4.55 A): 10 out of 24 assignments used, quality = 1.00: * HE3 LYS 13 + HB2 LYS 13 OK 96 100 - 96 - 5.0=74, 576/3.0=6...(56) HE2 LYS 13 + HB2 LYS 13 OK 96 100 - 96 - 5.0=74, 576/3.0=6...(56) HE3 LYS 13 + HB3 LYS 13 OK 95 99 - 96 - 5.0=74, 576/3.0=6...(56) HE2 LYS 13 + HB3 LYS 13 OK 95 99 - 96 - 5.0=74, 576/3.0=6...(56) HE2 LYS 24 + HB2 LYS 13 OK 56 99 - 56 - 526/3.0=4, 490/3.0=3...(33) HE3 LYS 24 + HB2 LYS 13 OK 56 99 - 56 - 526/3.0=4, 490/3.0=3...(33) HE2 LYS 24 + HB3 LYS 13 OK 55 98 - 56 - 526/3.0=4, 490/3.0=3...(33) HE3 LYS 24 + HB3 LYS 13 OK 55 98 - 56 - 526/3.0=4, 490/3.0=3...(33) HE3 LYS 12 + HB2 LYS 13 OK 48 97 - 50 - ~463=5, 6180/4.0=4...(31) HE3 LYS 12 + HB3 LYS 13 OK 48 96 - 50 - ~463=5, 6180/4.0=4...(31) HE2 LYS 47 - HB2 LYS 13 OK 36 73 - 49 - 3.8/2171=4, 3.8/500=3...(28) HE3 LYS 47 - HB2 LYS 13 OK 36 73 - 49 - 3.8/2171=4, 3.8/500=3...(28) HE2 LYS 47 - HB3 LYS 13 OK 35 71 - 49 - 3.8/2171=4, 3.8/500=3...(30) HE3 LYS 47 - HB3 LYS 13 OK 35 71 - 49 - 3.8/2171=4, 3.8/500=3...(30) HE2 LYS 73 - HB2 LYS 13 OK 21 97 - 21 - 526/3.0=2, ~3319=1...(8) HE3 LYS 73 - HB2 LYS 13 OK 21 87 - 24 - 526/3.0=1, 3319/3.0=1...(7) HE2 LYS 73 - HB3 LYS 13 OK 20 96 - 21 - 526/3.0=2, ~3319=1...(8) HE3 LYS 73 - HB3 LYS 13 OK 20 85 - 24 - 526/3.0=1, 3319/3.0=1...(7) HB2 ASN 51 - HB2 LYS 13 lone 7 87 - 8 - 9131/3.0=2, ~9134=2, ~9130=1 HB2 ASN 51 - HB3 LYS 13 lone 7 85 - 8 - 9131/3.0=2, ~9134=2, ~9130=1 HB3 PHE 45 - HB2 LYS 13 lone 5 94 - 6 - 6195/4.6=2 HB3 PHE 45 - HB3 LYS 13 lone 5 92 - 6 - 6195/4.6=2 HG2 MET 21 - HB2 LYS 13 lone 2 65 - 3 - HG2 MET 21 - HB3 LYS 13 lone 2 64 - 3 - Peak 505 from cnoeabs.peaks (7.55, 1.92, 31.45 ppm; 3.43 A): 2 out of 6 assignments used, quality = 0.93: * H LEU 14 + HB2 LYS 13 OK 74 100 - 74 - 4.6=41, 6182/4.0=13...(16) H LEU 14 + HB3 LYS 13 OK 74 99 - 74 - 4.6=41, 6182/4.0=13...(18) H ILE 76 - HB2 LYS 13 OK 25 96 - 26 - 6182/4.0=7, 9650/3.0=5...(6) H ILE 76 - HB3 LYS 13 OK 24 94 - 26 - 6182/4.0=7, 9650/3.0=5...(6) H GLU 88 - HB2 LYS 13 poor 9 61 - 14 - 3.0/8393=3, ~8393=3...(6) H GLU 88 - HB3 LYS 13 poor 9 60 - 14 - 3.0/8393=3, ~8393=3...(6) Peak 506 from cnoeabs.peaks (8.07, 1.91, 31.45 ppm; 2.97 A): 4 out of 12 assignments used, quality = 0.97: * H LYS 13 + HB3 LYS 13 OK 71 100 - 71 - 4.0=40, 6174/1.8=12...(18) H LYS 13 + HB2 LYS 13 OK 71 99 - 71 - 4.0=40, 6174/1.8=12...(18) H ILE 15 + HB3 LYS 13 OK 38 100 - 38 - 6208/3.0=8, 6209/4.6=7...(13) H ILE 15 + HB2 LYS 13 OK 37 99 - 37 - 6208/3.0=8, 6209/4.6=7...(13) H GLU 75 - HB3 LYS 13 OK 14 100 - 14 - 9618/3.0=3, 7245/4.6=3...(7) H GLU 75 - HB2 LYS 13 OK 14 99 - 14 - 9618/3.0=3, 7245/4.6=3...(7) H GLU 17 - HB3 LYS 13 lone 7 87 - 8 - 10427/3.0=2, 6203/4.6=1 H GLU 17 - HB2 LYS 13 lone 7 85 - 8 - 10427/3.0=2, 6203/4.6=1 H LYS 39 - HB3 LYS 13 lone 6 96 - 6 - 517/3.0=1, 481/3.0=1 H LYS 39 - HB2 LYS 13 lone 6 94 - 6 - 517/3.0=1, 481/3.0=1 H SER 102 - HB3 LYS 13 lone 1 73 - 2 - H SER 102 - HB2 LYS 13 lone 1 71 - 2 - Peak 507 from cnoeabs.peaks (4.15, 1.91, 31.45 ppm; 3.05 A): 2 out of 14 assignments used, quality = 1.00: * HA LYS 13 + HB3 LYS 13 OK 100 100 - 100 - 3.0=100 HA LYS 13 + HB2 LYS 13 OK 99 99 - 100 - 3.0=100 HA LYS 47 - HB3 LYS 13 OK 30 90 - 33 - 2125=4, 518/3.0=4...(10) HA LYS 47 - HB2 LYS 13 OK 29 88 - 34 - 2125=4, 518/3.0=4...(11) HA GLN 72 - HB3 LYS 13 OK 13 100 - 13 - 6173/4.0=2, 518/3.0=2...(5) HA GLN 72 - HB2 LYS 13 OK 13 99 - 13 - 6173/4.0=2, 518/3.0=2...(5) HA LYS 73 - HB3 LYS 13 poor 7 70 - 10 - 518/3.0=1 HA LYS 73 - HB2 LYS 13 poor 7 68 - 10 - 518/3.0=1 HA MET 1 - HB3 LYS 13 lone 6 100 - 6 - HA MET 1 - HB2 LYS 13 lone 6 99 - 6 - HA GLU 23 - HB3 LYS 13 lone 5 96 - 5 - HA GLU 23 - HB2 LYS 13 lone 5 94 - 5 - HB2 SER 59 - HB3 LYS 13 lone 4 99 - 4 - HB2 SER 59 - HB2 LYS 13 lone 4 98 - 4 - Peak 508 from cnoeabs.peaks (1.92, 1.91, 31.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 13 + HB3 LYS 13 OK 100 100 - 100 HB2 LYS 13 + HB2 LYS 13 OK 99 99 - 100 Reference assignment not found: HB2 LYS 13 - HB3 LYS 13 Peak 509 from cnoeabs.peaks (1.91, 1.91, 31.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 13 + HB3 LYS 13 OK 100 100 - 100 HB2 LYS 13 + HB2 LYS 13 OK 99 99 - 100 Peak 510 from cnoeabs.peaks (1.43, 1.91, 31.45 ppm; 3.15 A): 2 out of 14 assignments used, quality = 1.00: * HG2 LYS 13 + HB3 LYS 13 OK 100 100 - 100 - 3.0=100 HG2 LYS 13 + HB2 LYS 13 OK 99 99 - 100 - 3.0=100 HG2 LYS 12 - HB3 LYS 13 OK 24 77 - 31 - 485/3.0=4, 425/4.0=4...(9) HG2 LYS 12 - HB2 LYS 13 OK 23 75 - 31 - 485/3.0=4, 425/4.0=4...(9) HG13 ILE 76 - HB3 LYS 13 OK 14 98 - 14 - 3441/4.6=2, 485/3.0=2...(6) HG13 ILE 76 - HB2 LYS 13 OK 14 97 - 14 - 3441/4.6=2, 485/3.0=2...(6) HG12 ILE 7 - HB3 LYS 13 OK 12 98 - 12 - 6191/4.6=2, 485/3.0=1 HG12 ILE 7 - HB2 LYS 13 OK 11 97 - 12 - 6191/4.6=2, 485/3.0=1 HG3 LYS 39 - HB3 LYS 13 lone 7 90 - 8 - 1713/4.0=3, 485/3.0=2 HG3 LYS 39 - HB2 LYS 13 lone 7 88 - 8 - 1713/4.0=3, 485/3.0=2 QB ALA 22 - HB3 LYS 13 lone 4 99 - 4 - QB ALA 22 - HB2 LYS 13 lone 4 98 - 4 - HG LEU 29 - HB3 LYS 13 lone 4 99 - 4 - HG LEU 29 - HB2 LYS 13 lone 4 98 - 4 - Peak 511 from cnoeabs.peaks (1.50, 1.91, 31.45 ppm; 3.14 A): 2 out of 24 assignments used, quality = 1.00: * HG3 LYS 13 + HB3 LYS 13 OK 100 100 - 100 - 3.0=100 HG3 LYS 13 + HB2 LYS 13 OK 99 99 - 100 - 3.0=100 HG2 LYS 47 - HB3 LYS 13 OK 39 98 - 40 - 522/3.0=4, 1.8/2171=3...(15) HG2 LYS 47 - HB2 LYS 13 OK 38 97 - 40 - 522/3.0=4, 1.8/2171=3...(14) HG3 LYS 33 - HB3 LYS 13 OK 28 97 - 29 - 1.8/1449=3, 522/3.0=2...(13) HG3 LYS 33 - HB2 LYS 13 OK 27 96 - 29 - 1.8/1448=3, 522/3.0=2...(13) HG3 LYS 24 - HB3 LYS 13 OK 23 90 - 26 - 522/3.0=2, 486/3.0=2...(7) HG3 LYS 24 - HB2 LYS 13 OK 22 88 - 26 - 522/3.0=2, 486/3.0=2...(7) HG2 LYS 73 - HB3 LYS 13 OK 15 99 - 15 - 522/3.0=2, 486/3.0=1, 6177/4.0=1 HG2 LYS 73 - HB2 LYS 13 OK 15 98 - 15 - 522/3.0=2, 486/3.0=1, 6177/4.0=1 HG3 LYS 66 - HB3 LYS 13 lone 10 99 - 10 - 522/3.0=1, 6177/4.0=1 HG3 LYS 66 - HB2 LYS 13 lone 10 98 - 10 - 522/3.0=1, 6177/4.0=1 HG2 LYS 66 - HB3 LYS 13 lone 10 98 - 10 - 522/3.0=1, 6177/4.0=1 HG2 LYS 66 - HB2 LYS 13 lone 9 97 - 10 - 522/3.0=1, 6177/4.0=1 HG LEU 2 - HB3 LYS 13 lone 6 65 - 10 - ~10394=1 HG LEU 2 - HB2 LYS 13 lone 6 64 - 10 - ~10394=1 HG LEU 57 - HB3 LYS 13 lone 6 99 - 6 - HB2 ARG 91 - HB3 LYS 13 lone 6 90 - 7 - HG LEU 57 - HB2 LYS 13 lone 6 98 - 6 - HB2 ARG 91 - HB2 LYS 13 lone 6 88 - 7 - HB3 LEU 64 - HB3 LYS 13 lone 5 97 - 5 - HB3 LEU 64 - HB2 LYS 13 lone 5 96 - 5 - HG LEU 64 - HB3 LYS 13 lone 2 70 - 3 - HG LEU 64 - HB2 LYS 13 lone 2 68 - 3 - Peak 512 from cnoeabs.peaks (1.70, 1.91, 31.45 ppm; 3.47 A): 8 out of 34 assignments used, quality = 1.00: * HD2 LYS 13 + HB3 LYS 13 OK 98 100 - 98 - 3.6=90, 524/3.0=9...(53) HD3 LYS 13 + HB3 LYS 13 OK 98 100 - 98 - 3.6=90, 524/3.0=9...(53) HD2 LYS 13 + HB2 LYS 13 OK 97 99 - 98 - 3.6=90, 524/3.0=9...(53) HD3 LYS 13 + HB2 LYS 13 OK 97 99 - 98 - 3.6=90, 524/3.0=9...(53) HD3 LYS 12 + HB3 LYS 13 OK 51 100 - 51 - 524/3.0=3, 488/3.0=3...(25) HD2 LYS 12 + HB3 LYS 13 OK 51 100 - 51 - 524/3.0=3, 488/3.0=3...(25) HD2 LYS 12 + HB2 LYS 13 OK 50 99 - 51 - 524/3.0=3, 488/3.0=3...(25) HD3 LYS 12 + HB2 LYS 13 OK 50 99 - 51 - 524/3.0=3, 488/3.0=3...(25) HD3 LYS 24 - HB3 LYS 13 OK 40 99 - 41 - 524/3.0=2, 488/3.0=2...(14) HD2 LYS 24 - HB3 LYS 13 OK 40 99 - 41 - 524/3.0=2, 488/3.0=2...(14) HD3 LYS 24 - HB2 LYS 13 OK 40 98 - 41 - 524/3.0=2, 488/3.0=2...(14) HD2 LYS 24 - HB2 LYS 13 OK 40 98 - 41 - 524/3.0=2, 488/3.0=2...(14) HD3 LYS 47 - HB3 LYS 13 OK 25 61 - 41 - 3.0/2171=3, 3.0/511=2...(16) HD3 LYS 47 - HB2 LYS 13 OK 24 60 - 41 - 3.0/2171=3, 3.0/500=2...(15) HG12 ILE 15 - HB3 LYS 13 OK 19 97 - 20 - 12025/3.0=3, 4.6/506=2...(10) HG12 ILE 15 - HB2 LYS 13 OK 19 96 - 20 - 12025/3.0=3, 4.6/506=2...(10) HB2 LEU 2 - HB3 LYS 13 OK 11 100 - 11 - 10354/3.0=1, ~10355=1, ~10394=1 HB2 LEU 2 - HB2 LYS 13 OK 11 99 - 11 - 10354/3.0=1, ~10355=1, ~10394=1 HG2 PRO 86 - HB3 LYS 13 lone 9 96 - 10 - 6193/4.6=1, ~10833=1 HG2 PRO 86 - HB2 LYS 13 lone 9 94 - 10 - 6193/4.6=1, ~10833=1 HD3 LYS 66 - HB3 LYS 13 lone 9 100 - 9 - HD3 LYS 66 - HB2 LYS 13 lone 9 99 - 9 - HG LEU 70 - HB3 LYS 13 lone 8 100 - 8 - 10959/3.0=1, ~10394=1 HG LEU 70 - HB2 LYS 13 lone 8 99 - 8 - 10959/3.0=1, ~10394=1 HD3 LYS 90 - HB3 LYS 13 lone 5 99 - 5 - 5.2/8393=1 HD3 LYS 90 - HB2 LYS 13 lone 5 98 - 5 - 5.2/8393=1 HB3 LEU 70 - HB3 LYS 13 lone 5 77 - 7 - HB3 LEU 70 - HB2 LYS 13 lone 5 75 - 6 - HB3 ARG 91 - HB3 LYS 13 lone 4 65 - 5 - HB3 ARG 91 - HB2 LYS 13 lone 4 64 - 5 - HB3 LYS 40 - HB3 LYS 13 lone 3 70 - 4 - 3.0/1780=1 HB3 LYS 40 - HB2 LYS 13 lone 3 68 - 4 - 3.0/1780=1 HB3 LYS 53 - HB3 LYS 13 lone 1 77 - 1 - HB3 LYS 53 - HB2 LYS 13 lone 1 75 - 1 - Peak 513 from cnoeabs.peaks (1.70, 1.91, 31.45 ppm; 3.47 A): 8 out of 30 assignments used, quality = 1.00: * HD3 LYS 13 + HB3 LYS 13 OK 98 100 - 98 - 3.6=90, 524/3.0=9...(53) HD2 LYS 13 + HB3 LYS 13 OK 98 100 - 98 - 3.6=90, 524/3.0=9...(53) HD3 LYS 13 + HB2 LYS 13 OK 97 99 - 98 - 3.6=90, 524/3.0=9...(53) HD2 LYS 13 + HB2 LYS 13 OK 97 99 - 98 - 3.6=90, 524/3.0=9...(53) HD3 LYS 12 + HB3 LYS 13 OK 51 100 - 51 - 524/3.0=3, 488/3.0=3...(25) HD2 LYS 12 + HB3 LYS 13 OK 51 100 - 51 - 524/3.0=3, 488/3.0=3...(25) HD2 LYS 12 + HB2 LYS 13 OK 50 99 - 51 - 524/3.0=3, 488/3.0=3...(25) HD3 LYS 12 + HB2 LYS 13 OK 50 99 - 51 - 524/3.0=3, 488/3.0=3...(25) HD3 LYS 24 - HB3 LYS 13 OK 40 98 - 41 - 524/3.0=2, 488/3.0=2...(14) HD2 LYS 24 - HB3 LYS 13 OK 39 97 - 41 - 524/3.0=2, 488/3.0=2...(14) HD3 LYS 24 - HB2 LYS 13 OK 39 97 - 41 - 524/3.0=2, 488/3.0=2...(14) HD2 LYS 24 - HB2 LYS 13 OK 39 96 - 41 - 524/3.0=2, 488/3.0=2...(14) HG12 ILE 15 - HB3 LYS 13 OK 18 94 - 20 - 12025/3.0=2, 4.6/506=2...(10) HG12 ILE 15 - HB2 LYS 13 OK 18 92 - 20 - 12025/3.0=2, 4.6/506=2...(10) HB2 LEU 2 - HB3 LYS 13 OK 11 100 - 11 - 10354/3.0=1, ~10355=1, ~10394=1 HB2 LEU 2 - HB2 LYS 13 OK 11 99 - 11 - 10354/3.0=1, ~10355=1, ~10394=1 HG2 PRO 86 - HB3 LYS 13 lone 9 92 - 10 - 6193/4.6=1, ~10833=1 HD3 LYS 66 - HB3 LYS 13 lone 9 100 - 9 - HD3 LYS 66 - HB2 LYS 13 lone 9 99 - 9 - HG2 PRO 86 - HB2 LYS 13 lone 9 90 - 10 - 6193/4.6=1, ~10833=1 HG LEU 70 - HB3 LYS 13 lone 8 99 - 8 - 10959/3.0=1, ~10394=1 HG LEU 70 - HB2 LYS 13 lone 8 98 - 8 - 10959/3.0=1, ~10394=1 HB3 LEU 70 - HB3 LYS 13 lone 6 84 - 7 - HB3 LEU 70 - HB2 LYS 13 lone 6 82 - 7 - HD3 LYS 90 - HB3 LYS 13 lone 5 98 - 5 - 5.2/8393=1 HD3 LYS 90 - HB2 LYS 13 lone 5 97 - 5 - 5.2/8393=1 HB3 LYS 40 - HB3 LYS 13 lone 3 61 - 4 - 3.0/1780=1 HB3 LYS 40 - HB2 LYS 13 lone 3 60 - 4 - 3.0/1780=1 HB3 LYS 53 - HB3 LYS 13 lone 1 70 - 1 - HB3 LYS 53 - HB2 LYS 13 lone 1 68 - 1 - Peak 514 from cnoeabs.peaks (2.96, 1.91, 31.45 ppm; 4.55 A): 10 out of 22 assignments used, quality = 1.00: * HE2 LYS 13 + HB3 LYS 13 OK 96 100 - 96 - 5.0=74, 576/3.0=6...(56) HE3 LYS 13 + HB3 LYS 13 OK 96 100 - 96 - 5.0=74, 576/3.0=6...(56) HE2 LYS 13 + HB2 LYS 13 OK 95 99 - 96 - 5.0=74, 576/3.0=6...(56) HE3 LYS 13 + HB2 LYS 13 OK 95 99 - 96 - 5.0=74, 576/3.0=6...(56) HE3 LYS 24 + HB3 LYS 13 OK 56 100 - 56 - 526/3.0=4, 489/3.0=3...(33) HE2 LYS 24 + HB3 LYS 13 OK 56 100 - 56 - 526/3.0=4, 489/3.0=3...(33) HE3 LYS 24 + HB2 LYS 13 OK 56 99 - 56 - 526/3.0=4, 489/3.0=3...(33) HE2 LYS 24 + HB2 LYS 13 OK 56 99 - 56 - 526/3.0=4, 489/3.0=3...(33) HE3 LYS 12 + HB3 LYS 13 OK 49 99 - 50 - ~463=5, 6180/4.0=4...(31) HE3 LYS 12 + HB2 LYS 13 OK 49 98 - 50 - ~463=5, 6180/4.0=4...(31) HE2 LYS 47 - HB3 LYS 13 OK 40 81 - 49 - 3.8/2171=4, 3.8/511=3...(30) HE3 LYS 47 - HB3 LYS 13 OK 40 81 - 49 - 3.8/2171=4, 3.8/511=3...(30) HE2 LYS 47 - HB2 LYS 13 OK 38 79 - 49 - 3.8/2171=4, 3.8/500=3...(28) HE3 LYS 47 - HB2 LYS 13 OK 38 79 - 49 - 3.8/2171=4, 3.8/500=3...(28) HE2 LYS 73 - HB3 LYS 13 OK 20 94 - 21 - 526/3.0=2, ~3319=1...(7) HE2 LYS 73 - HB2 LYS 13 OK 20 92 - 21 - 526/3.0=2, ~3319=1...(7) HE3 LYS 73 - HB3 LYS 13 OK 19 81 - 23 - 526/3.0=1, 3319/3.0=1...(7) HE3 LYS 73 - HB2 LYS 13 OK 18 79 - 23 - 526/3.0=1, 3319/3.0=1...(7) HB2 ASN 51 - HB3 LYS 13 lone 7 81 - 8 - ~9134=2, 9131/3.0=1, ~9130=1 HB2 ASN 51 - HB2 LYS 13 lone 6 79 - 8 - ~9134=2, 9131/3.0=1, ~9130=1 HB3 PHE 45 - HB3 LYS 13 lone 6 97 - 6 - 6195/4.6=2 HB3 PHE 45 - HB2 LYS 13 lone 6 96 - 6 - 6195/4.6=2 Peak 515 from cnoeabs.peaks (2.96, 1.91, 31.45 ppm; 4.55 A): 10 out of 24 assignments used, quality = 1.00: * HE3 LYS 13 + HB3 LYS 13 OK 96 100 - 96 - 5.0=74, 576/3.0=6...(56) HE2 LYS 13 + HB3 LYS 13 OK 96 100 - 96 - 5.0=74, 576/3.0=6...(56) HE3 LYS 13 + HB2 LYS 13 OK 95 99 - 96 - 5.0=74, 576/3.0=6...(56) HE2 LYS 13 + HB2 LYS 13 OK 95 99 - 96 - 5.0=74, 576/3.0=6...(56) HE3 LYS 24 + HB3 LYS 13 OK 56 99 - 56 - 526/3.0=4, 490/3.0=3...(33) HE2 LYS 24 + HB3 LYS 13 OK 56 99 - 56 - 526/3.0=4, 490/3.0=3...(33) HE2 LYS 24 + HB2 LYS 13 OK 55 98 - 56 - 526/3.0=4, 490/3.0=3...(33) HE3 LYS 24 + HB2 LYS 13 OK 55 98 - 56 - 526/3.0=4, 490/3.0=3...(33) HE3 LYS 12 + HB3 LYS 13 OK 48 97 - 50 - ~463=5, 6180/4.0=4...(31) HE3 LYS 12 + HB2 LYS 13 OK 48 96 - 50 - ~463=5, 6180/4.0=4...(31) HE2 LYS 47 - HB3 LYS 13 OK 36 73 - 49 - 3.8/2171=4, 3.8/511=3...(30) HE3 LYS 47 - HB3 LYS 13 OK 36 73 - 49 - 3.8/2171=4, 3.8/511=3...(30) HE2 LYS 47 - HB2 LYS 13 OK 34 71 - 48 - 3.8/2171=4, 3.8/500=3...(28) HE3 LYS 47 - HB2 LYS 13 OK 34 71 - 48 - 3.8/2171=4, 3.8/500=3...(28) HE2 LYS 73 - HB3 LYS 13 OK 21 97 - 21 - 526/3.0=2, ~3319=1...(8) HE3 LYS 73 - HB3 LYS 13 OK 21 87 - 24 - 526/3.0=1, 3319/3.0=1...(7) HE2 LYS 73 - HB2 LYS 13 OK 20 96 - 21 - 526/3.0=2, ~3319=1...(8) HE3 LYS 73 - HB2 LYS 13 OK 20 85 - 24 - 526/3.0=1, 3319/3.0=1...(7) HB2 ASN 51 - HB3 LYS 13 lone 7 87 - 8 - 9131/3.0=2, ~9134=2, ~9130=1 HB2 ASN 51 - HB2 LYS 13 lone 7 85 - 8 - 9131/3.0=2, ~9134=2, ~9130=1 HB3 PHE 45 - HB3 LYS 13 lone 6 94 - 6 - 6195/4.6=2 HB3 PHE 45 - HB2 LYS 13 lone 5 92 - 6 - 6195/4.6=2 HG2 MET 21 - HB3 LYS 13 lone 2 65 - 3 - HG2 MET 21 - HB2 LYS 13 lone 2 64 - 3 - Peak 516 from cnoeabs.peaks (7.55, 1.91, 31.45 ppm; 3.43 A): 2 out of 6 assignments used, quality = 0.93: * H LEU 14 + HB3 LYS 13 OK 74 100 - 75 - 4.6=41, 6182/4.0=13...(18) H LEU 14 + HB2 LYS 13 OK 74 99 - 74 - 4.6=41, 6182/4.0=13...(18) H ILE 76 - HB3 LYS 13 OK 25 96 - 26 - 6182/4.0=7, 9650/3.0=5...(6) H ILE 76 - HB2 LYS 13 OK 24 94 - 26 - 6182/4.0=7, 9650/3.0=5...(6) H GLU 88 - HB3 LYS 13 poor 9 61 - 14 - 3.0/8393=3, ~8393=3...(6) H GLU 88 - HB2 LYS 13 poor 9 60 - 14 - 3.0/8393=3, ~8393=3...(6) Peak 517 from cnoeabs.peaks (8.07, 1.43, 25.00 ppm; 3.82 A): 2 out of 6 assignments used, quality = 0.93: * H LYS 13 + HG2 LYS 13 OK 86 100 - 86 - 4.8=50, 2.9/518=15...(22) H ILE 15 + HG2 LYS 13 OK 51 100 - 51 - 6208/3.9=10, 4.6/527=7...(16) H GLU 75 - HG2 LYS 13 OK 22 100 - 22 - 4.6/527=5, 9618/3.9=4...(8) H LYS 39 - HG2 LYS 13 OK 12 96 - 12 - 481/3.9=1, 6607=1 H GLU 17 - HG2 LYS 13 OK 11 87 - 12 - 10427/3.9=3, 528/1.8=1 H SER 102 - HG2 LYS 13 lone 2 73 - 3 - Peak 518 from cnoeabs.peaks (4.15, 1.43, 25.00 ppm; 3.83 A): 1 out of 7 assignments used, quality = 0.98: * HA LYS 13 + HG2 LYS 13 OK 98 100 - 98 - 3.9=93, 2.9/517=14...(38) HA LYS 47 - HG2 LYS 13 OK 38 90 - 42 - 2126/1.8=5, 3.9/522=4...(17) HA GLN 72 - HG2 LYS 13 OK 16 100 - 16 - 485=2, 6173/4.8=2...(6) HA LYS 73 - HG2 LYS 13 OK 15 70 - 22 - 3.6/9590=3, 3231/1.8=2...(6) HA MET 1 - HG2 LYS 13 lone 9 100 - 9 - 8008/1.8=1 HA GLU 23 - HG2 LYS 13 lone 7 96 - 8 - 3.0/6363=1 HB2 SER 59 - HG2 LYS 13 lone 4 99 - 4 - Peak 519 from cnoeabs.peaks (1.92, 1.43, 25.00 ppm; 3.14 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 3.0=100 HB3 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 3.0=100 HB3 LYS 47 - HG2 LYS 13 OK 33 96 - 35 - 3.0/518=4, 3.0/522=4...(11) HB3 LEU 14 - HG2 LYS 13 OK 23 81 - 29 - 3.8/527=5, 3.1/12015=4...(10) HB3 LYS 33 - HG2 LYS 13 OK 23 100 - 23 - 2.8/522=3, 1440/1.8=3...(8) HB2 LYS 33 - HG2 LYS 13 OK 23 100 - 23 - 2.8/522=3, 1429/1.8=3...(8) HB2 LYS 94 - HG2 LYS 13 lone 5 98 - 5 - HB3 ARG 19 - HG2 LYS 13 lone 2 84 - 3 - HB2 GLU 43 - HG2 LYS 13 lone 2 92 - 2 - HB3 LYS 20 - HG2 LYS 13 lone 1 65 - 1 - Peak 520 from cnoeabs.peaks (1.91, 1.43, 25.00 ppm; 3.14 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 3.0=100 HB2 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 3.0=100 HB3 LYS 47 - HG2 LYS 13 OK 32 92 - 35 - 3.0/518=4, 3.0/522=4...(11) HB3 LEU 14 - HG2 LYS 13 OK 25 87 - 29 - 3.8/527=5, 3.1/12015=4...(10) HB3 LYS 33 - HG2 LYS 13 OK 23 100 - 23 - 2.8/522=3, 1440/1.8=3...(8) HB2 LYS 33 - HG2 LYS 13 OK 23 100 - 23 - 2.8/522=3, 1429/1.8=3...(8) HG LEU 42 - HG2 LYS 13 lone 5 65 - 8 - HB2 LYS 94 - HG2 LYS 13 lone 5 96 - 5 - HB ILE 8 - HG2 LYS 13 lone 3 61 - 5 - 3.8/6090=1 HB2 GLU 43 - HG2 LYS 13 lone 2 96 - 2 - HB3 ARG 19 - HG2 LYS 13 lone 2 77 - 3 - Peak 521 from cnoeabs.peaks (1.43, 1.43, 25.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 13 + HG2 LYS 13 OK 100 100 - 100 Peak 522 from cnoeabs.peaks (1.50, 1.43, 25.00 ppm; 2.40 A): 1 out of 12 assignments used, quality = 1.00: * HG3 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 1.8=100 HG2 LYS 47 - HG2 LYS 13 OK 23 98 - 23 - 532=5, ~2172=2, ~2162=2...(7) HG3 LYS 33 - HG2 LYS 13 OK 15 97 - 16 - 532=3, ~1451=2, ~1461=1...(5) HG3 LYS 24 - HG2 LYS 13 OK 14 90 - 15 - 3.0/524=1, 3.0/524=1 HG2 LYS 73 - HG2 LYS 13 OK 12 99 - 12 - 532=3 HG3 LYS 66 - HG2 LYS 13 lone 7 99 - 7 - HG2 LYS 66 - HG2 LYS 13 lone 7 98 - 7 - HG LEU 57 - HG2 LYS 13 lone 4 99 - 4 - HG LEU 2 - HG2 LYS 13 lone 4 65 - 5 - HB2 ARG 91 - HG2 LYS 13 lone 3 90 - 3 - HB3 LEU 64 - HG2 LYS 13 lone 2 97 - 2 - HG LEU 64 - HG2 LYS 13 lone 1 70 - 1 - Peak 523 from cnoeabs.peaks (1.70, 1.43, 25.00 ppm; 2.73 A): 2 out of 17 assignments used, quality = 0.99: HD3 LYS 13 + HG2 LYS 13 OK 89 100 - 89 - 3.0=79, 535/1.8=6...(16) * HD2 LYS 13 + HG2 LYS 13 OK 89 100 - 89 - 3.0=79, 535/1.8=6...(16) HD3 LYS 12 - HG2 LYS 13 OK 33 100 - 33 - 10332=3, 1.8/10332=2...(7) HD2 LYS 12 - HG2 LYS 13 OK 33 100 - 33 - 10332=3, 1.8/10332=2...(7) HD3 LYS 24 - HG2 LYS 13 OK 24 99 - 25 - 3.0/522=2, 543=2...(6) HD2 LYS 24 - HG2 LYS 13 OK 24 99 - 25 - 3.0/522=2, 543=1...(6) HG12 ILE 15 - HG2 LYS 13 OK 18 97 - 18 - 10332=3, 4.6/517=2...(5) HD3 LYS 47 - HG2 LYS 13 OK 13 61 - 22 - 3.0/522=3, 12025=2...(6) HB2 LEU 2 - HG2 LYS 13 lone 8 100 - 8 - 3.1/10394=1 HD3 LYS 66 - HG2 LYS 13 lone 8 100 - 8 - HG LEU 70 - HG2 LYS 13 lone 7 100 - 7 - 10959/1.8=1 HB3 LEU 70 - HG2 LYS 13 lone 4 77 - 6 - HG2 PRO 86 - HG2 LYS 13 lone 4 96 - 4 - HD3 LYS 90 - HG2 LYS 13 lone 3 99 - 3 - HB3 ARG 91 - HG2 LYS 13 lone 2 65 - 3 - HB3 LYS 40 - HG2 LYS 13 lone 1 70 - 2 - HB3 LYS 53 - HG2 LYS 13 lone 0 77 - 1 - Peak 524 from cnoeabs.peaks (1.70, 1.43, 25.00 ppm; 2.73 A): 2 out of 15 assignments used, quality = 0.99: * HD3 LYS 13 + HG2 LYS 13 OK 89 100 - 89 - 3.0=79, 535/1.8=6...(16) HD2 LYS 13 + HG2 LYS 13 OK 89 100 - 89 - 3.0=79, 535/1.8=6...(16) HD3 LYS 12 - HG2 LYS 13 OK 32 100 - 33 - 10332=3, 1.8/10332=2...(7) HD2 LYS 12 - HG2 LYS 13 OK 32 100 - 33 - 10332=3, 1.8/10332=2...(7) HD3 LYS 24 - HG2 LYS 13 OK 24 98 - 25 - 3.0/522=2, 543=2...(6) HD2 LYS 24 - HG2 LYS 13 OK 24 97 - 25 - 3.0/522=2, 543=1...(6) HG12 ILE 15 - HG2 LYS 13 OK 17 94 - 18 - 10332=3, 4.6/517=2...(5) HB2 LEU 2 - HG2 LYS 13 lone 8 100 - 8 - 3.1/10394=1 HD3 LYS 66 - HG2 LYS 13 lone 8 100 - 8 - HG LEU 70 - HG2 LYS 13 lone 7 99 - 7 - 10959/1.8=1 HB3 LEU 70 - HG2 LYS 13 lone 5 84 - 6 - HG2 PRO 86 - HG2 LYS 13 lone 4 92 - 4 - HD3 LYS 90 - HG2 LYS 13 lone 3 98 - 3 - HB3 LYS 40 - HG2 LYS 13 lone 1 61 - 2 - HB3 LYS 53 - HG2 LYS 13 lone 0 70 - 0 - Peak 525 from cnoeabs.peaks (2.96, 1.43, 25.00 ppm; 4.12 A): 4 out of 11 assignments used, quality = 1.00: * HE2 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 3.8=100 HE3 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 3.8=100 HE3 LYS 24 + HG2 LYS 13 OK 46 100 - 46 - 565=3, 3.0/524=3...(28) HE2 LYS 24 + HG2 LYS 13 OK 46 100 - 46 - 565=3, 3.0/524=3...(28) HE3 LYS 12 - HG2 LYS 13 OK 42 99 - 43 - 1.8/463=5, 3.0/524=4...(18) HE3 LYS 47 - HG2 LYS 13 OK 30 81 - 37 - 3.8/522=4, 3.0/12025=3...(15) HE2 LYS 47 - HG2 LYS 13 OK 30 81 - 37 - 3.8/522=4, 3.0/12025=3...(15) HE2 LYS 73 - HG2 LYS 13 OK 18 94 - 19 - 4.0/522=2, ~3319=1...(4) HE3 LYS 73 - HG2 LYS 13 OK 16 81 - 20 - 4.0/522=2, 3319/1.8=1, ~3319=1 HB2 ASN 51 - HG2 LYS 13 lone 4 81 - 5 - HB3 PHE 45 - HG2 LYS 13 lone 4 97 - 4 - Peak 526 from cnoeabs.peaks (2.96, 1.43, 25.00 ppm; 4.12 A): 4 out of 12 assignments used, quality = 1.00: * HE3 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 3.8=100 HE2 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 3.8=100 HE2 LYS 24 + HG2 LYS 13 OK 46 99 - 46 - 576=3, 3.0/524=3...(28) HE3 LYS 24 + HG2 LYS 13 OK 46 99 - 46 - 576=3, 3.0/524=3...(28) HE3 LYS 12 - HG2 LYS 13 OK 41 97 - 43 - 1.8/463=5, 3.0/524=4...(18) HE2 LYS 47 - HG2 LYS 13 OK 27 73 - 37 - 3.8/522=4, 3.0/12025=3...(15) HE3 LYS 47 - HG2 LYS 13 OK 27 73 - 37 - 3.8/522=4, 3.0/12025=3...(15) HE2 LYS 73 - HG2 LYS 13 OK 18 97 - 19 - 4.0/522=2, ~3319=1...(4) HE3 LYS 73 - HG2 LYS 13 OK 18 87 - 20 - 4.0/522=2, 3319/1.8=2, ~3319=1 HB2 ASN 51 - HG2 LYS 13 lone 4 87 - 5 - 9131/3.9=1 HB3 PHE 45 - HG2 LYS 13 lone 3 94 - 4 - HG2 MET 21 - HG2 LYS 13 lone 1 65 - 2 - Peak 527 from cnoeabs.peaks (7.55, 1.43, 25.00 ppm; 5.29 A): 2 out of 3 assignments used, quality = 0.94: * H LEU 14 + HG2 LYS 13 OK 87 100 - 87 - 6182/4.8=24, 3.6/518=22...(16) H ILE 76 + HG2 LYS 13 OK 58 96 - 61 - 6182/4.8=12, 9650/3.9=11...(18) H GLU 88 - HG2 LYS 13 OK 16 61 - 25 - ~8393=5, ~3870=4...(8) Peak 528 from cnoeabs.peaks (8.07, 1.50, 25.00 ppm; 4.15 A): 2 out of 24 assignments used, quality = 0.96: * H LYS 13 + HG3 LYS 13 OK 91 100 - 91 - 4.8=64, 517/1.8=20...(18) H ILE 15 + HG3 LYS 13 OK 53 100 - 54 - 6208/3.9=12, 517/1.8=12...(13) H LYS 13 - HG2 LYS 47 OK 32 87 - 38 - 6177=6, 2.9/486=4...(15) H GLU 75 - HG3 LYS 13 OK 24 100 - 24 - 9618/3.9=5, 517/1.8=5...(7) H GLU 75 - HG2 LYS 73 OK 23 92 - 25 - 4.6/7219=5, 9618/4.1=5...(7) H LYS 13 - HG2 LYS 73 OK 22 92 - 24 - 6177=4, 6168/1.8=3...(7) H ILE 15 - HG3 LYS 33 OK 15 74 - 20 - 6217/3.0=4, 6217/3.0=4...(9) H LYS 13 - HG3 LYS 33 OK 15 74 - 20 - 6177=3, 4.8/522=2...(10) H GLU 17 - HG3 LYS 13 OK 13 87 - 15 - 10427/3.9=4, 517/1.8=2...(4) H ILE 15 - HG2 LYS 47 OK 12 87 - 14 - 4.6/6192=3, 6208/3.9=2...(4) H LYS 39 - HG3 LYS 13 OK 11 96 - 11 - 517/1.8=3, 481/3.9=2 H GLU 17 - HG2 LYS 73 poor 10 75 - 13 - ~9582=2, 5.1/12182=1...(5) H ILE 15 - HG2 LYS 73 lone 9 92 - 10 - 6208/4.1=2, 4.6/6192=2 H GLU 75 - HG2 LYS 47 lone 7 87 - 8 - 4.6/7219=2 H LYS 39 - HG2 LYS 73 lone 6 84 - 7 - 6613/4.9=2 H GLU 17 - HG2 LYS 47 lone 5 70 - 7 - H LYS 39 - HG2 LYS 47 lone 3 79 - 3 - H SER 102 - HG3 LYS 13 lone 2 73 - 3 - H GLU 75 - HG3 LYS 33 lone 2 74 - 3 - H LYS 39 - HG3 LYS 33 lone 1 66 - 1 - H GLU 17 - HG3 LYS 33 lone 1 58 - 2 - H SER 102 - HG2 LYS 73 lone 1 62 - 1 - H SER 102 - HG2 LYS 47 lone 1 57 - 1 - H SER 102 - HG3 LYS 33 lone 1 47 - 2 - Peak 529 from cnoeabs.peaks (4.15, 1.50, 25.00 ppm; 3.14 A): 3 out of 28 assignments used, quality = 0.96: * HA LYS 13 + HG3 LYS 13 OK 81 100 - 81 - 3.9=51, 518/1.8=13...(21) HA LYS 47 + HG2 LYS 47 OK 60 72 - 84 - 3.9=52, 2127/1.8=15...(25) HA LYS 73 + HG2 LYS 73 OK 46 58 - 78 - 4.1=46, 3.0/7207=7...(34) HA LYS 47 - HG3 LYS 13 OK 29 90 - 33 - 2126=5, 518/1.8=5...(14) HA LYS 13 - HG2 LYS 47 OK 26 87 - 30 - 486=4, 2169/1.8=4...(13) HA GLN 72 - HG2 LYS 47 OK 22 87 - 26 - ~10841=4, 2169/1.8=3...(11) HA GLN 72 - HG2 LYS 73 OK 21 92 - 23 - 3190/4.9=6, 3.0/12182=2...(8) HA LYS 47 - HG2 LYS 73 OK 18 78 - 23 - 2126=4, 3.9/2172=2...(8) HA LYS 13 - HG2 LYS 73 OK 14 92 - 16 - 486=2, 2.9/6177=2...(5) HA MET 1 - HG2 LYS 47 OK 14 86 - 17 - 7/3.0=4, 2169/1.8=2...(6) HA GLN 72 - HG3 LYS 13 OK 13 100 - 12 - 518/1.8=2, 3.6/7207=2...(6) HA MET 1 - HG2 LYS 73 OK 12 91 - 13 - 7/2.9=2, 3/2.9=2...(5) HA LYS 13 - HG3 LYS 33 OK 11 74 - 15 - 486=2, 3.9/522=2...(8) HA LYS 73 - HG3 LYS 13 OK 11 70 - 15 - 518/1.8=2, 3231=2...(4) HA LYS 73 - HG2 LYS 47 poor 10 54 - 18 - 3.0/7207=3, 3231=3...(7) HB2 SER 59 - HG2 LYS 73 lone 7 90 - 8 - ~9582=1, ~9580=1 HA MET 1 - HG3 LYS 13 lone 7 100 - 7 - 518/1.8=1 HA GLU 23 - HG2 LYS 47 lone 6 79 - 8 - 2169/1.8=1 HA GLU 23 - HG3 LYS 13 lone 5 96 - 5 - 518/1.8=1 HA LYS 47 - HG3 LYS 33 lone 5 60 - 8 - 2126=1 HB2 SER 59 - HG3 LYS 13 lone 4 99 - 3 - HA GLU 23 - HG2 LYS 73 lone 4 84 - 4 - HB2 SER 59 - HG2 LYS 47 lone 2 85 - 2 - HA GLN 72 - HG3 LYS 33 lone 1 74 - 1 - HA MET 1 - HG3 LYS 33 lone 1 73 - 1 - HA LYS 73 - HG3 LYS 33 lone 1 44 - 2 - HA GLU 23 - HG3 LYS 33 lone 1 66 - 1 - HB2 SER 59 - HG3 LYS 33 lone 1 72 - 1 - Peak 530 from cnoeabs.peaks (1.92, 1.50, 25.00 ppm; 2.68 A): 5 out of 40 assignments used, quality = 1.00: * HB2 LYS 13 + HG3 LYS 13 OK 84 100 - 84 - 3.0=74, 3.0/486=5...(14) HB3 LYS 13 + HG3 LYS 13 OK 84 100 - 84 - 3.0=74, 3.0/486=5...(14) HB2 LYS 33 + HG3 LYS 33 OK 68 74 - 93 - 2.8=83, 3.0/1418=8...(30) HB3 LYS 33 + HG3 LYS 33 OK 68 74 - 93 - 2.8=83, 3.0/1418=8...(30) HB3 LYS 47 + HG2 LYS 47 OK 68 79 - 85 - 3.0=74, 3.0/2126=6...(22) HB2 LYS 94 - HG2 LYS 47 OK 31 83 - 38 - 2171/1.8=5, ~4203=4...(16) HB2 LYS 13 - HG2 LYS 47 OK 25 87 - 30 - 3.0/522=3, 2171/1.8=3...(12) HB3 LYS 13 - HG2 LYS 47 OK 25 86 - 30 - 3.0/522=3, 2171/1.8=3...(12) HB3 LYS 47 - HG3 LYS 13 OK 25 96 - 26 - 3.0/2172=3, 519/1.8=3...(9) HB2 LYS 33 - HG3 LYS 13 OK 21 100 - 22 - 2.8/1451=3, 1429=2...(7) HB3 LYS 33 - HG3 LYS 13 OK 21 100 - 22 - 2.8/1451=3, 1440=2...(7) HB3 LYS 47 - HG2 LYS 73 OK 19 84 - 22 - 3.0/2172=2, 2150=2...(7) HB3 LEU 14 - HG3 LYS 13 OK 15 81 - 19 - 3.8/6192=4, 520/1.8=2...(9) HB2 LYS 13 - HG3 LYS 33 OK 15 74 - 20 - 1448/1.8=2, 3.0/522=2...(7) HB3 LYS 13 - HG3 LYS 33 OK 15 73 - 20 - 1448/1.8=2, 3.0/522=2...(7) HB2 LYS 13 - HG2 LYS 73 OK 10 92 - 11 - 3.0/522=1 HB3 LYS 13 - HG2 LYS 73 OK 10 91 - 11 - 3.0/522=1 HB2 LYS 33 - HG2 LYS 47 lone 8 87 - 10 - HB3 LYS 33 - HG2 LYS 47 lone 8 87 - 9 - HB3 LYS 20 - HG2 LYS 47 poor 6 50 - 11 - 2171/1.8=1 HB2 GLU 43 - HG2 LYS 47 lone 5 75 - 7 - 12311/4.9=1 HB3 LYS 47 - HG3 LYS 33 lone 5 66 - 7 - HB2 LYS 94 - HG3 LYS 13 lone 4 98 - 5 - HB2 LYS 94 - HG2 LYS 73 lone 4 88 - 5 - HB3 LEU 14 - HG3 LYS 33 lone 3 52 - 6 - HB2 LYS 33 - HG2 LYS 73 lone 2 92 - 2 - HB3 LYS 33 - HG2 LYS 73 lone 2 92 - 2 - HB3 LEU 14 - HG2 LYS 47 lone 2 64 - 3 - 3.8/6192=1 HB2 LYS 94 - HG3 LYS 33 lone 2 70 - 2 - HB3 LYS 20 - HG2 LYS 73 lone 2 55 - 3 - HB2 GLU 43 - HG3 LYS 13 lone 2 92 - 2 - HB3 ARG 19 - HG2 LYS 47 lone 1 67 - 2 - HB3 ARG 19 - HG3 LYS 13 lone 1 84 - 1 - HB3 LEU 14 - HG2 LYS 73 lone 1 69 - 2 - HB3 ARG 19 - HG2 LYS 73 lone 1 72 - 1 - HB2 GLU 43 - HG2 LYS 73 lone 1 80 - 1 - HB2 GLU 43 - HG3 LYS 33 lone 1 62 - 1 - HB3 ARG 19 - HG3 LYS 33 lone 1 55 - 1 - HB3 LYS 20 - HG3 LYS 13 lone 1 65 - 1 - HB3 LYS 20 - HG3 LYS 33 lone 0 41 - 1 - Peak 531 from cnoeabs.peaks (1.91, 1.50, 25.00 ppm; 2.68 A): 5 out of 44 assignments used, quality = 1.00: * HB3 LYS 13 + HG3 LYS 13 OK 84 100 - 84 - 3.0=74, 3.0/486=5...(14) HB2 LYS 13 + HG3 LYS 13 OK 84 100 - 84 - 3.0=74, 3.0/486=5...(14) HB3 LYS 33 + HG3 LYS 33 OK 68 74 - 93 - 2.8=83, 3.0/1418=8...(30) HB2 LYS 33 + HG3 LYS 33 OK 67 73 - 93 - 2.8=83, 3.0/1418=8...(30) HB3 LYS 47 + HG2 LYS 47 OK 64 75 - 85 - 3.0=74, 3.0/2126=6...(22) HB2 LYS 94 - HG2 LYS 47 OK 29 79 - 37 - 4191/1.8=4, ~4203=4...(15) HB3 LYS 13 - HG2 LYS 47 OK 25 87 - 29 - 3.0/522=3, 511=2...(12) HB2 LYS 13 - HG2 LYS 47 OK 25 86 - 29 - 3.0/522=3, 2171/1.8=2...(12) HB3 LYS 47 - HG3 LYS 13 OK 24 92 - 26 - 3.0/2172=3, 519/1.8=3...(9) HB3 LYS 33 - HG3 LYS 13 OK 21 100 - 22 - 2.8/1451=3, 1440=2...(7) HB2 LYS 33 - HG3 LYS 13 OK 21 100 - 22 - 2.8/1451=3, 1429=2...(7) HB3 LYS 47 - HG2 LYS 73 OK 18 80 - 22 - 3.0/2172=2, 2150=2...(5) HB3 LEU 14 - HG3 LYS 13 OK 17 87 - 19 - 3.8/6192=4, 520/1.8=2...(9) HB3 LYS 13 - HG3 LYS 33 OK 15 74 - 20 - 1449/1.8=2, 3.0/522=2...(7) HB2 LYS 13 - HG3 LYS 33 OK 15 73 - 20 - 1449/1.8=2, 3.0/522=2...(7) HB3 LYS 13 - HG2 LYS 73 OK 10 92 - 11 - 3.0/522=1 HB2 LYS 13 - HG2 LYS 73 OK 10 91 - 11 - 3.0/522=1 HB3 LYS 33 - HG2 LYS 47 lone 8 87 - 9 - HB2 LYS 33 - HG2 LYS 47 lone 8 86 - 9 - HB2 GLU 43 - HG2 LYS 47 lone 6 79 - 7 - 12311/4.9=1 HB3 LYS 47 - HG3 LYS 33 lone 4 62 - 7 - HB2 LYS 94 - HG3 LYS 13 lone 4 96 - 4 - HB2 LYS 94 - HG2 LYS 73 lone 4 84 - 5 - HB3 LEU 14 - HG3 LYS 33 lone 4 58 - 7 - HG LEU 42 - HG3 LYS 13 lone 3 65 - 4 - HB3 LEU 14 - HG2 LYS 47 lone 2 70 - 3 - 3.8/6192=1 HB3 LYS 33 - HG2 LYS 73 lone 2 92 - 2 - HB2 LYS 33 - HG2 LYS 73 lone 2 91 - 2 - HB2 GLU 43 - HG3 LYS 13 lone 2 96 - 2 - HB2 LYS 94 - HG3 LYS 33 lone 2 66 - 2 - HB ILE 8 - HG3 LYS 13 lone 2 61 - 2 - HB3 LEU 14 - HG2 LYS 73 lone 1 75 - 2 - HB3 ARG 19 - HG2 LYS 47 lone 1 61 - 2 - HB3 ARG 19 - HG3 LYS 13 lone 1 77 - 1 - HB ILE 8 - HG2 LYS 73 lone 1 51 - 2 - HB2 GLU 43 - HG3 LYS 33 lone 1 66 - 1 - HB2 GLU 43 - HG2 LYS 73 lone 1 84 - 1 - HB3 ARG 19 - HG2 LYS 73 lone 1 65 - 1 - HB ILE 8 - HG2 LYS 47 lone 1 47 - 1 - HB3 ARG 19 - HG3 LYS 33 lone 0 50 - 1 - HG LEU 42 - HG2 LYS 47 lone 0 50 - 1 - HG LEU 42 - HG3 LYS 33 lone 0 41 - 1 - HG LEU 42 - HG2 LYS 73 lone 0 55 - 1 - HB ILE 8 - HG3 LYS 33 lone 0 38 - 0 - Peak 532 from cnoeabs.peaks (1.43, 1.50, 25.00 ppm; 2.40 A): 1 out of 28 assignments used, quality = 1.00: * HG2 LYS 13 + HG3 LYS 13 OK 100 100 - 100 - 1.8=100 HG2 LYS 13 - HG2 LYS 47 OK 21 87 - 24 - 522=6, ~2172=2, ~2162=2...(7) HG2 LYS 12 - HG3 LYS 13 OK 14 77 - 18 - 1.8/3275=2, 485/3.9=1, 425/4.8=1 HG2 LYS 13 - HG3 LYS 33 OK 12 74 - 17 - 522=4, ~1451=2, ~1461=1...(5) HG2 LYS 13 - HG2 LYS 73 OK 11 92 - 12 - 522=3 HG13 ILE 76 - HG3 LYS 13 lone 8 98 - 8 - HG12 ILE 7 - HG3 LYS 13 lone 6 98 - 7 - HG2 LYS 12 - HG2 LYS 73 lone 5 65 - 7 - 1.8/3275=1 HG3 LYS 39 - HG3 LYS 13 lone 4 90 - 4 - 1713/4.8=1 HG13 ILE 76 - HG2 LYS 73 lone 4 88 - 4 - HG13 ILE 76 - HG2 LYS 47 lone 3 83 - 3 - HG LEU 29 - HG3 LYS 13 lone 2 99 - 2 - QB ALA 22 - HG3 LYS 13 lone 2 99 - 2 - HG2 LYS 12 - HG2 LYS 47 lone 1 61 - 2 - QB ALA 22 - HG2 LYS 73 lone 1 89 - 2 - QB ALA 22 - HG2 LYS 47 lone 1 84 - 2 - HG LEU 29 - HG2 LYS 73 lone 1 89 - 1 - HG3 LYS 39 - HG2 LYS 73 lone 1 78 - 1 - HG2 LYS 12 - HG3 LYS 33 lone 1 50 - 2 - HG LEU 29 - HG3 LYS 33 lone 1 71 - 1 - HG12 ILE 7 - HG2 LYS 73 lone 1 88 - 1 - HG12 ILE 7 - HG2 LYS 47 lone 1 83 - 1 - HG13 ILE 76 - HG3 LYS 33 lone 1 70 - 1 - HG3 LYS 39 - HG2 LYS 47 lone 1 72 - 1 - HG12 ILE 7 - HG3 LYS 33 lone 0 70 - 1 - HG LEU 29 - HG2 LYS 47 lone 0 84 - 0 - HG3 LYS 39 - HG3 LYS 33 lone 0 60 - 0 - QB ALA 22 - HG3 LYS 33 lone 0 71 - 0 - Peak 533 from cnoeabs.peaks (1.50, 1.50, 25.00 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 LYS 13 + HG3 LYS 13 OK 100 100 - 100 HG2 LYS 73 + HG2 LYS 73 OK 89 89 - 100 HG2 LYS 47 + HG2 LYS 47 OK 83 83 - 100 HG3 LYS 33 + HG3 LYS 33 OK 68 68 - 100 Peak 534 from cnoeabs.peaks (1.70, 1.50, 25.00 ppm; 2.41 A): 3 out of 68 assignments used, quality = 0.95: * HD2 LYS 13 + HG3 LYS 13 OK 71 100 - 71 - 3.0=55, 524/1.8=7...(11) HD3 LYS 13 + HG3 LYS 13 OK 71 100 - 71 - 3.0=55, 524/1.8=7...(11) HD3 LYS 47 + HG2 LYS 47 OK 35 47 - 75 - 3.0=53, 1.8/2194=4...(16) HD2 LYS 12 - HG3 LYS 13 OK 24 100 - 25 - 524/1.8=2, 555=1...(8) HD3 LYS 12 - HG3 LYS 13 OK 24 100 - 25 - 524/1.8=2, 555=1...(8) HD3 LYS 24 - HG3 LYS 13 OK 18 99 - 18 - 524/1.8=2, 544=1 HD2 LYS 24 - HG3 LYS 13 OK 18 99 - 19 - 524/1.8=2, 544=1 HD3 LYS 13 - HG2 LYS 47 OK 15 86 - 18 - 3.0/522=2, 555=1 HD2 LYS 13 - HG2 LYS 47 OK 15 87 - 17 - 3.0/522=2, 555=1 HD3 LYS 24 - HG2 LYS 73 OK 13 90 - 15 - HD2 LYS 24 - HG2 LYS 73 OK 13 89 - 15 - HD3 LYS 24 - HG2 LYS 47 OK 13 85 - 15 - HD2 LYS 24 - HG2 LYS 47 OK 12 84 - 15 - HD2 LYS 13 - HG2 LYS 73 OK 12 92 - 13 - 3.0/522=1 HD3 LYS 13 - HG2 LYS 73 OK 12 91 - 13 - 3.0/522=1 HG12 ILE 15 - HG3 LYS 13 OK 11 97 - 12 - 10332/1.8=2, 2.1/10852=2...(5) HB3 ARG 91 - HG2 LYS 47 OK 10 50 - 21 - 2.8/4046=2, ~2172=2...(8) HD3 LYS 47 - HG3 LYS 13 poor 9 61 - 15 - 3.0/2172=2, 12025/1.8=1 HD3 LYS 12 - HG2 LYS 73 lone 8 92 - 9 - HD2 LYS 12 - HG2 LYS 73 lone 8 92 - 9 - HD3 LYS 66 - HG2 LYS 73 lone 7 92 - 8 - 2947/1.8=2, 2946=1, 1.8/2935=1 HD2 LYS 13 - HG3 LYS 33 lone 7 74 - 9 - 3.0/522=1 HD3 LYS 13 - HG3 LYS 33 lone 7 73 - 9 - 3.0/522=1 HD3 LYS 47 - HG2 LYS 73 poor 7 51 - 13 - 3.0/2172=2 HD3 LYS 66 - HG3 LYS 13 lone 6 100 - 6 - HB2 LEU 2 - HG3 LYS 13 lone 5 100 - 5 - HG LEU 70 - HG3 LYS 13 lone 5 100 - 5 - HB3 LEU 70 - HG2 LYS 73 lone 4 65 - 7 - ~9581=2, 3.0/10813=2 HG LEU 70 - HG2 LYS 73 lone 4 91 - 5 - 3.7/10813=2 HB3 LEU 70 - HG3 LYS 13 lone 3 77 - 4 - HD3 LYS 12 - HG2 LYS 47 lone 3 87 - 4 - HD2 LYS 12 - HG2 LYS 47 lone 3 87 - 4 - HD3 LYS 24 - HG3 LYS 33 lone 3 72 - 4 - HD2 LYS 24 - HG3 LYS 33 lone 3 71 - 4 - HD3 LYS 90 - HG2 LYS 73 lone 3 90 - 3 - HB2 LEU 2 - HG2 LYS 73 lone 3 92 - 3 - 59/4.9=1 HG12 ILE 15 - HG3 LYS 33 lone 3 68 - 4 - HD2 LYS 12 - HG3 LYS 33 lone 3 74 - 4 - HD3 LYS 12 - HG3 LYS 33 lone 3 74 - 4 - HG2 PRO 86 - HG3 LYS 13 lone 2 96 - 3 - HB3 ARG 91 - HG2 LYS 73 lone 2 55 - 4 - HD3 LYS 90 - HG3 LYS 13 lone 2 99 - 2 - HG12 ILE 15 - HG2 LYS 47 lone 2 81 - 2 - HD3 LYS 66 - HG2 LYS 47 lone 2 87 - 2 - HB3 ARG 91 - HG3 LYS 13 lone 2 65 - 3 - HG12 ILE 15 - HG2 LYS 73 lone 2 86 - 2 - HG LEU 70 - HG2 LYS 47 lone 2 86 - 2 - HD3 LYS 90 - HG3 LYS 33 lone 2 72 - 2 - HD3 LYS 90 - HG2 LYS 47 lone 2 85 - 2 - HG2 PRO 86 - HG2 LYS 47 lone 1 79 - 2 - HB2 LEU 2 - HG2 LYS 47 lone 1 87 - 1 - HG LEU 70 - HG3 LYS 33 lone 1 73 - 1 - HD3 LYS 47 - HG3 LYS 33 lone 1 38 - 3 - HB3 LEU 70 - HG2 LYS 47 lone 1 61 - 2 - HB3 LYS 40 - HG2 LYS 47 lone 1 54 - 1 - HB2 LEU 2 - HG3 LYS 33 lone 1 74 - 1 - HB3 LYS 40 - HG3 LYS 13 lone 1 70 - 1 - HG2 PRO 86 - HG3 LYS 33 lone 1 66 - 1 - HG2 PRO 86 - HG2 LYS 73 lone 1 84 - 1 - HD3 LYS 66 - HG3 LYS 33 lone 1 74 - 1 - HB3 LYS 53 - HG3 LYS 33 lone 1 50 - 1 - HB3 LYS 40 - HG2 LYS 73 lone 1 58 - 1 - HB3 LEU 70 - HG3 LYS 33 lone 1 50 - 1 - HB3 LYS 53 - HG2 LYS 47 lone 0 61 - 1 - HB3 LYS 53 - HG3 LYS 13 lone 0 77 - 0 - HB3 ARG 91 - HG3 LYS 33 lone 0 41 - 1 - HB3 LYS 40 - HG3 LYS 33 lone 0 44 - 1 - HB3 LYS 53 - HG2 LYS 73 lone 0 65 - 0 - Peak 535 from cnoeabs.peaks (1.70, 1.50, 25.00 ppm; 2.41 A): 3 out of 60 assignments used, quality = 0.94: * HD3 LYS 13 + HG3 LYS 13 OK 71 100 - 71 - 3.0=55, 524/1.8=7...(11) HD2 LYS 13 + HG3 LYS 13 OK 71 100 - 71 - 3.0=55, 524/1.8=7...(11) HD2 LYS 12 + HG3 LYS 13 OK 24 100 - 25 - 524/1.8=2, 555=1...(8) HD3 LYS 12 - HG3 LYS 13 OK 24 100 - 25 - 524/1.8=2, 555=1...(8) HD3 LYS 24 - HG3 LYS 13 OK 18 98 - 18 - 524/1.8=2, 544=1 HD2 LYS 24 - HG3 LYS 13 OK 18 97 - 18 - 524/1.8=2, 544=1 HD3 LYS 13 - HG2 LYS 47 OK 15 87 - 18 - 3.0/522=2, 555=1 HD2 LYS 13 - HG2 LYS 47 OK 15 86 - 17 - 3.0/522=2, 555=1 HD3 LYS 24 - HG2 LYS 73 OK 13 88 - 15 - HD2 LYS 24 - HG2 LYS 73 OK 12 86 - 15 - HD3 LYS 24 - HG2 LYS 47 OK 12 83 - 15 - HD3 LYS 13 - HG2 LYS 73 OK 12 92 - 13 - 3.0/522=1 HD2 LYS 13 - HG2 LYS 73 OK 12 91 - 13 - 3.0/522=1 HD2 LYS 24 - HG2 LYS 47 OK 12 81 - 15 - HG12 ILE 15 - HG3 LYS 13 OK 11 94 - 12 - 2.1/10852=2, 10332/1.8=2...(5) HD2 LYS 12 - HG2 LYS 73 lone 8 91 - 9 - HD3 LYS 12 - HG2 LYS 73 lone 8 91 - 9 - HD3 LYS 66 - HG2 LYS 73 lone 7 92 - 8 - 2947/1.8=2, 2946=1, 1.8/2935=1 HD3 LYS 13 - HG3 LYS 33 lone 7 74 - 9 - 3.0/522=1 HD2 LYS 13 - HG3 LYS 33 lone 7 73 - 9 - 3.0/522=1 HD3 LYS 66 - HG3 LYS 13 lone 6 100 - 6 - HB2 LEU 2 - HG3 LYS 13 lone 5 100 - 5 - HG LEU 70 - HG3 LYS 13 lone 5 99 - 5 - HB3 LEU 70 - HG2 LYS 73 lone 5 72 - 7 - ~9581=2, 3.0/10813=2 HG LEU 70 - HG2 LYS 73 lone 4 90 - 5 - 3.7/10813=2 HB3 LEU 70 - HG3 LYS 13 lone 4 84 - 4 - HD2 LYS 12 - HG2 LYS 47 lone 3 86 - 4 - HD3 LYS 12 - HG2 LYS 47 lone 3 86 - 4 - HD3 LYS 24 - HG3 LYS 33 lone 3 70 - 4 - HB2 LEU 2 - HG2 LYS 73 lone 3 92 - 3 - 59/4.9=1 HD2 LYS 24 - HG3 LYS 33 lone 3 68 - 4 - HD3 LYS 90 - HG2 LYS 73 lone 3 88 - 3 - HD3 LYS 12 - HG3 LYS 33 lone 3 73 - 4 - HD2 LYS 12 - HG3 LYS 33 lone 3 73 - 4 - HG12 ILE 15 - HG3 LYS 33 lone 3 64 - 4 - HG2 PRO 86 - HG3 LYS 13 lone 2 92 - 3 - HD3 LYS 90 - HG3 LYS 13 lone 2 98 - 2 - HD3 LYS 66 - HG2 LYS 47 lone 2 87 - 2 - HG12 ILE 15 - HG2 LYS 47 lone 2 77 - 2 - HG12 ILE 15 - HG2 LYS 73 lone 2 82 - 2 - HG LEU 70 - HG2 LYS 47 lone 2 85 - 2 - HD3 LYS 90 - HG3 LYS 33 lone 2 70 - 2 - HD3 LYS 90 - HG2 LYS 47 lone 1 83 - 2 - HB3 LEU 70 - HG2 LYS 47 lone 1 67 - 2 - HG2 PRO 86 - HG2 LYS 47 lone 1 75 - 1 - HG LEU 70 - HG3 LYS 33 lone 1 72 - 1 - HB2 LEU 2 - HG2 LYS 47 lone 1 87 - 1 - HB2 LEU 2 - HG3 LYS 33 lone 1 74 - 1 - HB3 LEU 70 - HG3 LYS 33 lone 1 55 - 1 - HD3 LYS 66 - HG3 LYS 33 lone 1 74 - 1 - HG2 PRO 86 - HG3 LYS 33 lone 1 62 - 1 - HG2 PRO 86 - HG2 LYS 73 lone 1 80 - 1 - HB3 LYS 40 - HG2 LYS 47 lone 1 47 - 1 - HB3 LYS 40 - HG3 LYS 13 lone 1 61 - 1 - HB3 LYS 53 - HG3 LYS 33 lone 0 44 - 1 - HB3 LYS 40 - HG2 LYS 73 lone 0 51 - 1 - HB3 LYS 53 - HG2 LYS 47 lone 0 54 - 1 - HB3 LYS 53 - HG3 LYS 13 lone 0 70 - 0 - HB3 LYS 40 - HG3 LYS 33 lone 0 38 - 1 - HB3 LYS 53 - HG2 LYS 73 lone 0 58 - 0 - Peak 536 from cnoeabs.peaks (2.96, 1.50, 25.00 ppm; 3.26 A): 6 out of 44 assignments used, quality = 1.00: * HE2 LYS 13 + HG3 LYS 13 OK 83 100 - 83 - 3.8=62, 2.9/535=5...(27) HE3 LYS 13 + HG3 LYS 13 OK 83 100 - 83 - 3.8=62, 2.9/535=5...(27) HE2 LYS 73 + HG2 LYS 73 OK 71 82 - 86 - 4.0=54, 1.8/3319=9...(36) HE3 LYS 73 + HG2 LYS 73 OK 59 69 - 86 - 4.0=54, 3320/1.8=9...(36) HE3 LYS 47 + HG2 LYS 47 OK 58 64 - 90 - 3.8=64, 2217/1.8=10...(34) HE2 LYS 47 + HG2 LYS 47 OK 58 64 - 90 - 3.8=64, 2217/1.8=10...(34) HE3 LYS 24 - HG3 LYS 13 OK 31 100 - 31 - 526/1.8=2, ~526=2...(14) HE2 LYS 24 - HG3 LYS 13 OK 31 100 - 31 - 526/1.8=2, ~526=2...(14) HE3 LYS 12 - HG3 LYS 13 OK 29 99 - 29 - ~463=3, 525/1.8=2...(14) HE3 LYS 13 - HG2 LYS 47 OK 25 86 - 29 - 3.8/522=3, ~2177=2...(8) HE2 LYS 13 - HG2 LYS 47 OK 25 87 - 29 - 3.8/522=3, 2176/1.8=2...(8) HE2 LYS 24 - HG2 LYS 47 OK 24 86 - 28 - ~2177=2, ~2176=2...(6) HE3 LYS 24 - HG2 LYS 47 OK 24 86 - 28 - ~2177=2, ~2176=2...(6) HE2 LYS 13 - HG2 LYS 73 OK 24 92 - 26 - 3.8/522=2, 3309/1.8=1...(7) HE3 LYS 13 - HG2 LYS 73 OK 23 91 - 26 - 3309/1.8=2, 3308=2...(5) HE3 LYS 24 - HG2 LYS 73 OK 21 91 - 23 - 1143/1.8=1, 3.7/3265=1, 566=1 HE2 LYS 24 - HG2 LYS 73 OK 21 91 - 23 - 1143/1.8=1, 3.7/3265=1, 566=1 HE3 LYS 47 - HG3 LYS 13 OK 20 81 - 25 - 3.8/2172=3, 1.8/2216=2...(11) HE2 LYS 47 - HG3 LYS 13 OK 20 81 - 25 - 3.8/2172=3, 1.8/2216=2...(11) HE2 LYS 73 - HG2 LYS 47 OK 14 77 - 18 - 1.8/3319=2, 3.0/3297=2...(5) HE2 LYS 47 - HG2 LYS 73 OK 13 69 - 19 - 3.8/2172=3, 1.8/2216=2...(4) HE3 LYS 47 - HG2 LYS 73 OK 13 69 - 19 - 3.8/2172=3, 1.8/2216=2...(4) HE2 LYS 73 - HG3 LYS 13 OK 12 94 - 12 - 1.8/3319=1 HE3 LYS 73 - HG3 LYS 13 OK 11 81 - 14 - 3319=1, 1.8/3319=1 HE3 LYS 73 - HG2 LYS 47 OK 11 64 - 18 - 3.0/3297=2, 3.0/3286=2...(5) HE3 LYS 12 - HG2 LYS 73 poor 10 89 - 11 - ~464=2, ~434=2 HE2 LYS 13 - HG3 LYS 33 lone 6 74 - 8 - 3.8/522=2 HE3 LYS 13 - HG3 LYS 33 lone 6 73 - 8 - 3.8/522=2 HE3 LYS 12 - HG3 LYS 33 lone 6 71 - 7 - HB3 PHE 45 - HG2 LYS 47 lone 5 81 - 6 - 6776/4.9=1 HB3 PHE 45 - HG3 LYS 33 lone 4 68 - 6 - ~1447=1, 2050/3.9=1, 3.0/1458=1 HB2 ASN 51 - HG2 LYS 73 lone 4 69 - 6 - ~10634=1 HE3 LYS 12 - HG2 LYS 47 lone 4 84 - 4 - HE2 LYS 24 - HG3 LYS 33 lone 3 73 - 4 - HE3 LYS 24 - HG3 LYS 33 lone 3 73 - 4 - HB2 ASN 51 - HG3 LYS 13 lone 2 81 - 3 - HB3 PHE 45 - HG3 LYS 13 lone 2 97 - 2 - HE3 LYS 47 - HG3 LYS 33 lone 2 52 - 4 - HE2 LYS 47 - HG3 LYS 33 lone 2 52 - 4 - HB2 ASN 51 - HG2 LYS 47 lone 1 64 - 2 - HB3 PHE 45 - HG2 LYS 73 lone 1 86 - 1 - HE2 LYS 73 - HG3 LYS 33 lone 1 64 - 1 - HE3 LYS 73 - HG3 LYS 33 lone 1 52 - 1 - HB2 ASN 51 - HG3 LYS 33 lone 0 52 - 1 - Peak 537 from cnoeabs.peaks (2.96, 1.50, 25.00 ppm; 3.26 A): 6 out of 48 assignments used, quality = 1.00: * HE3 LYS 13 + HG3 LYS 13 OK 83 100 - 83 - 3.8=62, 2.9/535=5...(27) HE2 LYS 13 + HG3 LYS 13 OK 83 100 - 83 - 3.8=62, 2.9/535=5...(27) HE2 LYS 73 + HG2 LYS 73 OK 75 86 - 87 - 4.0=54, 3320/1.8=9...(36) HE3 LYS 73 + HG2 LYS 73 OK 65 75 - 87 - 4.0=54, 3320/1.8=10...(36) HE2 LYS 47 + HG2 LYS 47 OK 52 57 - 90 - 3.8=64, ~2217=9, ~2206=9...(34) HE3 LYS 47 + HG2 LYS 47 OK 52 57 - 90 - 3.8=64, ~2217=9, ~2206=9...(34) HE3 LYS 24 - HG3 LYS 13 OK 31 99 - 31 - 526/1.8=2, ~526=2...(14) HE2 LYS 24 - HG3 LYS 13 OK 31 99 - 31 - 526/1.8=2, ~526=2...(14) HE3 LYS 12 - HG3 LYS 13 OK 28 97 - 29 - ~463=3, 525/1.8=2...(14) HE3 LYS 13 - HG2 LYS 47 OK 25 87 - 29 - 3.8/522=3, 3308=2...(8) HE2 LYS 13 - HG2 LYS 47 OK 24 86 - 28 - 3.8/522=3, ~2177=1...(8) HE3 LYS 13 - HG2 LYS 73 OK 24 92 - 26 - 3309/1.8=2, 3308=2...(5) HE2 LYS 13 - HG2 LYS 73 OK 24 91 - 26 - 3.8/522=2, 3309/1.8=1...(7) HE2 LYS 24 - HG2 LYS 47 OK 23 85 - 27 - ~2177=2, ~2176=2...(6) HE3 LYS 24 - HG2 LYS 47 OK 23 85 - 27 - ~2177=2, ~2176=2...(6) HE3 LYS 24 - HG2 LYS 73 OK 21 90 - 23 - 3279/1.8=1, 3.7/3265=1, 566=1 HE2 LYS 24 - HG2 LYS 73 OK 21 90 - 23 - 3279/1.8=1, 3.7/3265=1, 566=1 HE2 LYS 47 - HG3 LYS 13 OK 18 73 - 25 - 3.8/2172=3, 1.8/2216=2...(9) HE3 LYS 47 - HG3 LYS 13 OK 18 73 - 25 - 3.8/2172=3, 1.8/2216=2...(9) HE2 LYS 73 - HG2 LYS 47 OK 14 81 - 18 - 1.8/3319=2, 3.0/3297=2...(5) HE3 LYS 73 - HG2 LYS 47 OK 12 70 - 18 - 3319=2, 3.0/3297=2...(5) HE3 LYS 73 - HG3 LYS 13 OK 12 87 - 14 - 3319=1, 1.8/3319=1 HE2 LYS 73 - HG3 LYS 13 OK 12 97 - 13 - 1.8/3319=1, 3319=1 HE2 LYS 47 - HG2 LYS 73 OK 11 62 - 18 - 3.8/2172=3, 1.8/2216=2...(4) HE3 LYS 47 - HG2 LYS 73 OK 11 62 - 18 - 3.8/2172=3, 1.8/2216=2...(4) HE3 LYS 12 - HG2 LYS 73 poor 9 86 - 11 - ~464=2, ~434=2 HE3 LYS 13 - HG3 LYS 33 lone 6 74 - 8 - 3.8/522=2 HE2 LYS 13 - HG3 LYS 33 lone 6 73 - 8 - 3.8/522=2 HE3 LYS 12 - HG3 LYS 33 lone 5 68 - 7 - HB3 PHE 45 - HG2 LYS 47 lone 5 77 - 6 - HB2 ASN 51 - HG2 LYS 73 lone 5 75 - 6 - ~10634=1 HB3 PHE 45 - HG3 LYS 33 lone 4 64 - 6 - ~1447=1, 2050/3.9=1, 3.0/1458=1 HE3 LYS 12 - HG2 LYS 47 lone 4 81 - 4 - HE3 LYS 24 - HG3 LYS 33 lone 3 72 - 4 - HE2 LYS 24 - HG3 LYS 33 lone 3 72 - 4 - HB2 ASN 51 - HG3 LYS 13 lone 3 87 - 3 - HG2 MET 21 - HG2 LYS 73 lone 2 55 - 4 - HB3 PHE 45 - HG3 LYS 13 lone 2 94 - 2 - HE3 LYS 47 - HG3 LYS 33 lone 2 47 - 4 - HE2 LYS 47 - HG3 LYS 33 lone 2 47 - 4 - HB2 ASN 51 - HG2 LYS 47 lone 2 70 - 2 - HG2 MET 21 - HG2 LYS 47 lone 1 50 - 2 - HB3 PHE 45 - HG2 LYS 73 lone 1 82 - 1 - HE2 LYS 73 - HG3 LYS 33 lone 1 68 - 1 - HG2 MET 21 - HG3 LYS 13 lone 1 65 - 1 - HE3 LYS 73 - HG3 LYS 33 lone 1 58 - 1 - HB2 ASN 51 - HG3 LYS 33 lone 0 58 - 1 - HG2 MET 21 - HG3 LYS 33 lone 0 41 - 1 - Peak 538 from cnoeabs.peaks (7.55, 1.50, 25.00 ppm; 4.58 A): 7 out of 12 assignments used, quality = 0.94: * H LEU 14 + HG3 LYS 13 OK 75 100 - 75 - 6182/4.8=19, 6192=18...(13) H ILE 76 + HG3 LYS 13 OK 42 96 - 44 - 527/1.8=11, 6182/4.8=9...(11) H LEU 14 + HG2 LYS 47 OK 24 87 - 28 - 6192=6, 3.6/486=4...(9) H LEU 14 + HG2 LYS 73 OK 16 92 - 18 - 6192=4, 4.6/6177=2...(4) H LEU 14 + HG3 LYS 33 OK 15 74 - 20 - 6192=4, 8769/4.9=3...(9) H GLU 88 + HG3 LYS 13 OK 13 61 - 21 - ~8393=4, 3.0/3870=3...(7) H ILE 76 + HG2 LYS 73 OK 13 84 - 15 - 9644/2.9=3, 9644/2.9=3...(5) H ILE 76 - HG2 LYS 47 poor 9 79 - 11 - 9650/3.9=2, 9644/3.0=2 H GLU 88 - HG2 LYS 47 poor 6 47 - 12 - 3.0/3870=4, ~4034=2, ~3871=1 H GLU 88 - HG2 LYS 73 lone 4 51 - 7 - 3.0/3870=2 H ILE 76 - HG3 LYS 33 lone 4 66 - 5 - 8769/4.9=1 H GLU 88 - HG3 LYS 33 lone 1 38 - 2 - Peak 539 from cnoeabs.peaks (8.07, 1.70, 28.93 ppm; 4.18 A): 8 out of 36 assignments used, quality = 1.00: * H LYS 13 + HD2 LYS 13 OK 85 100 - 85 - 6.0=34, 517/3.0=16...(27) H LYS 13 + HD3 LYS 13 OK 84 99 - 85 - 6.0=34, 517/3.0=16...(27) H LYS 13 + HD3 LYS 12 OK 72 96 - 75 - 425/3.0=13, 6165/3.6=13...(24) H LYS 13 + HD2 LYS 12 OK 72 96 - 75 - 425/3.0=13, 6165/3.6=13...(24) H ILE 15 + HD2 LYS 13 OK 50 100 - 50 - 517/3.0=9, 6208/5.5=8...(17) H ILE 15 + HD3 LYS 13 OK 50 99 - 50 - 517/3.0=9, 6208/5.5=8...(17) H ILE 15 + HD3 LYS 12 OK 46 96 - 48 - 425/3.0=7, 6206/5.2=6...(18) H ILE 15 + HD2 LYS 12 OK 46 96 - 48 - 425/3.0=7, 6206/5.2=6...(18) H LYS 13 - HD3 LYS 24 OK 34 95 - 36 - 6168/3.0=3, 6179=3...(21) H LYS 13 - HD2 LYS 24 OK 33 92 - 36 - 6168/3.0=3, 6179=3...(21) H LYS 39 - HD3 LYS 12 OK 27 89 - 30 - 425/3.0=8, 6605/3.6=6...(7) H LYS 39 - HD2 LYS 12 OK 27 89 - 30 - 425/3.0=8, 6605/3.6=6...(7) H GLU 75 - HD2 LYS 13 OK 18 100 - 18 - 517/3.0=4, 9618/5.5=4...(6) H GLU 75 - HD3 LYS 13 OK 18 99 - 18 - 517/3.0=4, 9618/5.5=4...(7) H GLU 17 - HD2 LYS 13 OK 14 87 - 16 - 10427/5.5=2, 517/3.0=2...(5) H ILE 15 - HD3 LYS 24 OK 14 95 - 14 - 6219/1.8=1, 6219=1...(4) H GLU 17 - HD3 LYS 13 OK 13 85 - 16 - 10427/5.5=2, 517/3.0=2...(5) H ILE 15 - HD2 LYS 24 OK 13 91 - 14 - 6219/1.8=1, 6219=1...(4) H GLU 75 - HD3 LYS 12 OK 11 96 - 12 - 425/3.0=2, 436/3.0=2, 390/5.2=1 H GLU 75 - HD2 LYS 12 OK 11 96 - 12 - 425/3.0=2, 436/3.0=2, 390/5.2=1 H GLU 17 - HD2 LYS 12 OK 10 80 - 13 - 425/3.0=1, 5.1/10436=1...(4) H GLU 17 - HD3 LYS 12 OK 10 80 - 13 - 425/3.0=1, 5.1/10436=1...(4) H GLU 75 - HD3 LYS 24 poor 10 95 - 10 - 7236/3.6=2, 7236/3.6=2...(4) H LYS 39 - HD2 LYS 13 lone 10 96 - 10 - 517/3.0=2 H LYS 39 - HD3 LYS 13 lone 9 94 - 10 - 517/3.0=2 H GLU 75 - HD2 LYS 24 lone 9 91 - 10 - 7236/3.6=2, 7236/3.6=2 H GLU 17 - HD3 LYS 24 lone 4 79 - 5 - H GLU 17 - HD2 LYS 24 lone 4 74 - 5 - H LYS 39 - HD3 LYS 24 lone 3 88 - 3 - H LYS 39 - HD2 LYS 24 lone 3 84 - 3 - H SER 102 - HD3 LYS 12 lone 3 66 - 4 - H SER 102 - HD2 LYS 12 lone 3 66 - 4 - H SER 102 - HD2 LYS 13 lone 2 73 - 3 - H SER 102 - HD3 LYS 13 lone 2 71 - 3 - H SER 102 - HD3 LYS 24 lone 1 66 - 2 - H SER 102 - HD2 LYS 24 lone 1 62 - 2 - Peak 540 from cnoeabs.peaks (4.15, 1.70, 28.93 ppm; 3.65 A): 4 out of 42 assignments used, quality = 0.99: * HA LYS 13 + HD2 LYS 13 OK 83 100 - 83 - 5.5=30, 518/3.0=14...(44) HA LYS 13 + HD3 LYS 13 OK 82 99 - 83 - 5.5=30, 518/3.0=14...(44) HA LYS 13 + HD3 LYS 12 OK 57 96 - 60 - 488=6, 485/3.0=5, ~425=4...(30) HA LYS 13 + HD2 LYS 12 OK 57 96 - 60 - 488=6, 485/3.0=5, ~425=4...(30) HA LYS 13 - HD3 LYS 24 OK 36 95 - 38 - 488=4, 488/1.8=3...(12) HA LYS 13 - HD2 LYS 24 OK 35 92 - 38 - 488=4, 488/1.8=3...(12) HA LYS 47 - HD3 LYS 13 OK 34 88 - 39 - 518/3.0=5, 2126/3.0=4...(14) HA LYS 47 - HD2 LYS 13 OK 34 90 - 38 - 518/3.0=5, 2126/3.0=4...(13) HA LYS 47 - HD3 LYS 24 OK 30 82 - 37 - 2124/3.6=3, 2124/3.6=3...(8) HA LYS 47 - HD2 LYS 24 OK 28 77 - 37 - 2124/3.6=3, 2124/3.6=3...(7) HA LYS 73 - HD3 LYS 24 OK 17 62 - 28 - 3232/3.0=2, 3231/3.0=2...(8) HA LYS 73 - HD2 LYS 24 OK 16 58 - 27 - 3232/3.0=2, 3231/3.0=2...(8) HA LYS 73 - HD2 LYS 13 OK 14 70 - 20 - 518/3.0=2, 3231/3.0=1...(4) HA LYS 73 - HD3 LYS 13 OK 14 68 - 21 - 518/3.0=2, 3231/3.0=1...(4) HA GLN 72 - HD2 LYS 13 OK 12 100 - 12 - 518/3.0=2, 6173/6.0=1...(5) HA GLN 72 - HD3 LYS 13 OK 12 99 - 12 - 518/3.0=2, 6173/6.0=1...(5) HA MET 1 - HD3 LYS 24 lone 9 94 - 10 - 7/3.6=1, 7/3.6=1...(4) HA MET 1 - HD2 LYS 13 lone 9 100 - 9 - 518/3.0=1, 8008/3.0=1 HA MET 1 - HD2 LYS 24 lone 9 91 - 10 - 7/3.6=1, 7/3.6=1...(4) HA MET 1 - HD3 LYS 13 lone 9 99 - 9 - 518/3.0=1, 8008/3.0=1 HA GLU 23 - HD3 LYS 24 lone 8 88 - 9 - 6377/6.3=3, ~10458=1 HA GLU 23 - HD2 LYS 24 lone 8 84 - 9 - 6377/6.3=3, ~10458=1 HA LYS 73 - HD2 LYS 12 poor 7 63 - 12 - ~3271=1, 3232/3.0=1 HA LYS 73 - HD3 LYS 12 poor 7 63 - 12 - ~3271=1, 3232/3.0=1 HA LYS 47 - HD2 LYS 12 lone 7 83 - 8 - HA LYS 47 - HD3 LYS 12 lone 7 83 - 8 - HA GLU 23 - HD2 LYS 13 lone 6 96 - 6 - 518/3.0=1 HA GLU 23 - HD3 LYS 13 lone 6 94 - 6 - 518/3.0=1 HA GLN 72 - HD2 LYS 12 lone 5 96 - 5 - HA GLN 72 - HD3 LYS 12 lone 5 96 - 5 - HA GLU 23 - HD3 LYS 12 lone 4 89 - 4 - HA GLU 23 - HD2 LYS 12 lone 4 89 - 4 - HA GLN 72 - HD3 LYS 24 lone 4 95 - 4 - HA MET 1 - HD2 LYS 12 lone 3 95 - 4 - HA MET 1 - HD3 LYS 12 lone 3 95 - 4 - HA GLN 72 - HD2 LYS 24 lone 3 92 - 4 - HB2 SER 59 - HD2 LYS 13 lone 3 99 - 3 - HB2 SER 59 - HD3 LYS 13 lone 3 98 - 3 - HB2 SER 59 - HD3 LYS 24 lone 1 94 - 1 - HB2 SER 59 - HD2 LYS 24 lone 1 90 - 1 - HB2 SER 59 - HD2 LYS 12 lone 1 95 - 1 - HB2 SER 59 - HD3 LYS 12 lone 1 95 - 1 - Peak 541 from cnoeabs.peaks (1.92, 1.70, 28.93 ppm; 2.84 A): 4 out of 60 assignments used, quality = 1.00: * HB2 LYS 13 + HD2 LYS 13 OK 79 100 - 79 - 3.6=50, 3.0/524=6...(31) HB3 LYS 13 + HD2 LYS 13 OK 79 100 - 79 - 3.6=50, 3.0/524=6...(31) HB2 LYS 13 + HD3 LYS 13 OK 78 99 - 79 - 3.6=50, 3.0/524=6...(31) HB3 LYS 13 + HD3 LYS 13 OK 78 99 - 79 - 3.6=50, 3.0/524=6...(31) HB2 LYS 13 - HD2 LYS 12 OK 35 96 - 36 - 3.0/524=2, 3.0/488=2...(10) HB2 LYS 13 - HD3 LYS 12 OK 35 96 - 36 - 3.0/524=2, 3.0/488=2...(10) HB3 LYS 13 - HD3 LYS 12 OK 34 96 - 36 - 3.0/524=2, 3.0/488=2...(10) HB3 LYS 13 - HD2 LYS 12 OK 34 96 - 36 - 3.0/524=2, 3.0/488=2...(10) HB2 LYS 13 - HD3 LYS 24 OK 27 95 - 28 - 3.0/524=2, 502=1...(6) HB3 LYS 13 - HD3 LYS 24 OK 27 95 - 28 - 3.0/524=2, 3.0/488=1...(6) HB2 LYS 13 - HD2 LYS 24 OK 26 92 - 28 - 3.0/524=2, 502=1...(5) HB3 LYS 13 - HD2 LYS 24 OK 26 91 - 28 - 3.0/524=2, 3.0/488=1...(5) HB3 LYS 47 - HD3 LYS 13 OK 26 94 - 28 - 519/3.0=2, 2150/3.0=2, ~518=1 HB3 LYS 47 - HD2 LYS 13 OK 25 96 - 26 - 519/3.0=2, 2150/3.0=2, ~518=1 HB3 LYS 47 - HD3 LYS 24 OK 25 88 - 28 - 2148/3.6=1, 2148/3.6=1...(7) HB3 LYS 47 - HD2 LYS 24 OK 24 84 - 28 - 2148/3.6=1, 2148/3.6=1...(7) HB3 LYS 33 - HD2 LYS 13 OK 14 100 - 15 - 1440/3.0=2, 519/3.0=1 HB2 LYS 33 - HD2 LYS 13 OK 14 100 - 15 - 1429/3.0=2, 519/3.0=1 HB3 LYS 33 - HD3 LYS 13 OK 14 99 - 15 - 1440/3.0=2, 519/3.0=1 HB2 LYS 33 - HD3 LYS 13 OK 14 99 - 15 - 1429/3.0=2, 519/3.0=1 HB3 LEU 14 - HD2 LYS 13 OK 11 81 - 14 - 3.8/6194=2, 520/3.0=2...(5) HB3 LEU 14 - HD3 LYS 13 OK 11 79 - 14 - 3.8/6194=2, 520/3.0=2...(5) HB2 LYS 33 - HD3 LYS 24 lone 7 95 - 7 - HB3 LYS 33 - HD3 LYS 24 lone 7 95 - 7 - HB2 LYS 33 - HD2 LYS 24 lone 6 91 - 7 - HB3 LYS 33 - HD2 LYS 24 lone 6 91 - 7 - HB3 LYS 33 - HD2 LYS 12 lone 6 96 - 6 - HB3 LYS 33 - HD3 LYS 12 lone 6 96 - 6 - HB2 LYS 33 - HD3 LYS 12 lone 6 96 - 6 - HB2 LYS 33 - HD2 LYS 12 lone 6 96 - 6 - HB3 LYS 47 - HD3 LYS 12 lone 6 89 - 6 - HB3 LYS 47 - HD2 LYS 12 lone 6 89 - 6 - HB3 LEU 14 - HD3 LYS 24 lone 5 73 - 7 - 8420/4.9=1 HB3 LEU 14 - HD3 LYS 12 lone 5 73 - 6 - 3.8/6194=1 HB3 LEU 14 - HD2 LYS 12 lone 5 73 - 6 - 3.8/6194=1 HB3 LEU 14 - HD2 LYS 24 lone 5 68 - 7 - 8420/4.9=1 HB2 LYS 94 - HD3 LYS 12 lone 4 92 - 5 - HB2 LYS 94 - HD2 LYS 12 lone 4 92 - 5 - HB2 LYS 94 - HD3 LYS 24 lone 2 92 - 3 - HB2 LYS 94 - HD2 LYS 13 lone 2 98 - 2 - HB2 LYS 94 - HD2 LYS 24 lone 2 87 - 3 - HB2 LYS 94 - HD3 LYS 13 lone 2 97 - 2 - HB3 ARG 19 - HD3 LYS 12 lone 1 77 - 2 - HB3 ARG 19 - HD2 LYS 12 lone 1 77 - 2 - HB2 GLU 43 - HD2 LYS 13 lone 1 92 - 1 - HB2 GLU 43 - HD3 LYS 13 lone 1 90 - 1 - HB3 ARG 19 - HD3 LYS 24 lone 1 76 - 1 - HB3 ARG 19 - HD2 LYS 13 lone 1 84 - 1 - HB3 ARG 19 - HD2 LYS 24 lone 1 71 - 1 - HB3 ARG 19 - HD3 LYS 13 lone 1 82 - 1 - HB2 GLU 43 - HD3 LYS 12 lone 1 85 - 1 - HB2 GLU 43 - HD2 LYS 12 lone 1 85 - 1 - HB2 GLU 43 - HD3 LYS 24 lone 1 84 - 1 - HB2 GLU 43 - HD2 LYS 24 lone 0 80 - 1 - HB3 LYS 20 - HD2 LYS 12 lone 0 59 - 1 - HB3 LYS 20 - HD3 LYS 12 lone 0 59 - 1 - HB3 LYS 20 - HD2 LYS 13 lone 0 65 - 1 - HB3 LYS 20 - HD3 LYS 24 lone 0 58 - 1 - HB3 LYS 20 - HD3 LYS 13 lone 0 64 - 1 - HB3 LYS 20 - HD2 LYS 24 lone 0 54 - 1 - Peak 542 from cnoeabs.peaks (1.91, 1.70, 28.93 ppm; 2.84 A): 4 out of 66 assignments used, quality = 1.00: * HB3 LYS 13 + HD2 LYS 13 OK 79 100 - 79 - 3.6=50, 3.0/524=6...(31) HB2 LYS 13 + HD2 LYS 13 OK 79 100 - 79 - 3.6=50, 3.0/524=6...(31) HB3 LYS 13 + HD3 LYS 13 OK 78 99 - 79 - 3.6=50, 3.0/524=6...(31) HB2 LYS 13 + HD3 LYS 13 OK 78 99 - 79 - 3.6=50, 3.0/524=6...(31) HB3 LYS 13 - HD3 LYS 12 OK 35 96 - 36 - 3.0/524=2, 3.0/488=2...(10) HB3 LYS 13 - HD2 LYS 12 OK 35 96 - 36 - 3.0/524=2, 3.0/488=2...(10) HB2 LYS 13 - HD3 LYS 12 OK 34 96 - 36 - 3.0/524=2, 3.0/488=2...(10) HB2 LYS 13 - HD2 LYS 12 OK 34 96 - 36 - 3.0/524=2, 3.0/488=2...(10) HB3 LYS 13 - HD3 LYS 24 OK 27 95 - 28 - 3.0/524=2, 3.0/488=1...(6) HB2 LYS 13 - HD3 LYS 24 OK 27 95 - 28 - 3.0/524=2, 3.0/488=1...(6) HB3 LYS 13 - HD2 LYS 24 OK 26 92 - 28 - 3.0/524=2, 3.0/488=1...(5) HB2 LYS 13 - HD2 LYS 24 OK 26 91 - 28 - 3.0/524=2, 3.0/488=1...(5) HB3 LYS 47 - HD3 LYS 13 OK 24 90 - 27 - 519/3.0=2, 2150/3.0=2, ~518=1 HB3 LYS 47 - HD2 LYS 13 OK 24 92 - 26 - 519/3.0=2, 2150/3.0=2, ~518=1 HB3 LYS 47 - HD3 LYS 24 OK 23 84 - 28 - 2148/3.6=1, 2148/3.6=1...(4) HB3 LYS 47 - HD2 LYS 24 OK 22 80 - 28 - 2148/3.6=1, 2148/3.6=1...(4) HB3 LYS 33 - HD2 LYS 13 OK 14 100 - 15 - 1440/3.0=2, 519/3.0=1 HB2 LYS 33 - HD2 LYS 13 OK 14 100 - 15 - 1429/3.0=2, 519/3.0=1 HB3 LYS 33 - HD3 LYS 13 OK 14 99 - 15 - 1440/3.0=2, 519/3.0=1 HB2 LYS 33 - HD3 LYS 13 OK 14 99 - 15 - 1429/3.0=2, 519/3.0=1 HB3 LEU 14 - HD2 LYS 13 OK 13 87 - 15 - 3.8/6194=2, 520/3.0=2...(5) HB3 LEU 14 - HD3 LYS 13 OK 12 85 - 15 - 3.8/6194=2, 520/3.0=2...(5) HB3 LYS 33 - HD3 LYS 24 lone 7 95 - 7 - HB2 LYS 33 - HD3 LYS 24 lone 7 94 - 7 - HB3 LYS 33 - HD2 LYS 24 lone 6 91 - 7 - HB2 LYS 33 - HD2 LYS 24 lone 6 91 - 7 - HB3 LYS 33 - HD3 LYS 12 lone 6 96 - 6 - HB3 LYS 33 - HD2 LYS 12 lone 6 96 - 6 - HB2 LYS 33 - HD2 LYS 12 lone 6 95 - 6 - HB2 LYS 33 - HD3 LYS 12 lone 6 95 - 6 - HB3 LEU 14 - HD3 LYS 24 lone 5 79 - 7 - 8420/4.9=1 HB3 LYS 47 - HD3 LYS 12 lone 5 85 - 6 - HB3 LYS 47 - HD2 LYS 12 lone 5 85 - 6 - HB3 LEU 14 - HD2 LYS 24 lone 5 74 - 7 - 8420/4.9=1 HB3 LEU 14 - HD2 LYS 12 lone 5 80 - 6 - 3.8/6194=1 HB3 LEU 14 - HD3 LYS 12 lone 5 80 - 6 - 3.8/6194=1 HB2 LYS 94 - HD3 LYS 12 lone 4 89 - 5 - HB2 LYS 94 - HD2 LYS 12 lone 4 89 - 5 - HG LEU 42 - HD2 LYS 13 lone 3 65 - 4 - HG LEU 42 - HD3 LYS 13 lone 3 64 - 4 - HG LEU 42 - HD2 LYS 12 lone 2 59 - 4 - HG LEU 42 - HD3 LYS 12 lone 2 59 - 4 - HB2 LYS 94 - HD3 LYS 24 lone 2 88 - 3 - HB2 LYS 94 - HD2 LYS 13 lone 2 96 - 2 - HB2 LYS 94 - HD3 LYS 13 lone 2 94 - 2 - HB2 LYS 94 - HD2 LYS 24 lone 2 84 - 3 - HB3 ARG 19 - HD3 LYS 12 lone 1 70 - 2 - HB3 ARG 19 - HD2 LYS 12 lone 1 70 - 2 - HB2 GLU 43 - HD2 LYS 13 lone 1 96 - 1 - HB ILE 8 - HD2 LYS 13 lone 1 61 - 2 - HB2 GLU 43 - HD3 LYS 13 lone 1 94 - 1 - HB ILE 8 - HD3 LYS 13 lone 1 60 - 2 - HG LEU 42 - HD3 LYS 24 lone 1 58 - 2 - HG LEU 42 - HD2 LYS 24 lone 1 54 - 2 - HB2 GLU 43 - HD3 LYS 12 lone 1 89 - 1 - HB2 GLU 43 - HD2 LYS 12 lone 1 89 - 1 - HB3 ARG 19 - HD3 LYS 24 lone 1 69 - 1 - HB3 ARG 19 - HD2 LYS 13 lone 1 77 - 1 - HB3 ARG 19 - HD3 LYS 13 lone 1 75 - 1 - HB3 ARG 19 - HD2 LYS 24 lone 1 65 - 1 - HB ILE 8 - HD3 LYS 12 lone 1 55 - 1 - HB ILE 8 - HD2 LYS 12 lone 1 55 - 1 - HB2 GLU 43 - HD3 LYS 24 lone 1 88 - 1 - HB2 GLU 43 - HD2 LYS 24 lone 1 84 - 1 - HB ILE 8 - HD3 LYS 24 lone 0 54 - 1 - HB ILE 8 - HD2 LYS 24 lone 0 51 - 1 - Peak 543 from cnoeabs.peaks (1.43, 1.70, 28.93 ppm; 2.96 A): 4 out of 42 assignments used, quality = 1.00: * HG2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 - 3.0=100 HG2 LYS 13 + HD3 LYS 13 OK 99 99 - 100 - 3.0=100 HG2 LYS 12 + HD2 LYS 12 OK 70 70 - 99 - 3.0=98, 423/3.0=7...(41) HG2 LYS 12 + HD3 LYS 12 OK 70 70 - 99 - 3.0=98, 423/3.0=7...(41) HG2 LYS 13 - HD2 LYS 12 OK 37 96 - 39 - 524=5, 524/1.8=3...(10) HG2 LYS 13 - HD3 LYS 12 OK 37 96 - 39 - 524=5, 524/1.8=3...(10) HG2 LYS 13 - HD3 LYS 24 OK 29 95 - 31 - 524=3, 524/1.8=3...(7) HG2 LYS 13 - HD2 LYS 24 OK 28 92 - 31 - 524=3, 524/1.8=3...(6) HG2 LYS 12 - HD2 LYS 13 OK 27 77 - 35 - 422=2, 532/3.0=2...(12) HG2 LYS 12 - HD3 LYS 13 OK 26 75 - 36 - 421=2, 532/3.0=2...(12) HG2 LYS 12 - HD3 LYS 24 OK 19 69 - 28 - 422=2, 420/3.0=2...(8) HG2 LYS 12 - HD2 LYS 24 OK 18 65 - 28 - 421=2, 420/3.0=2...(8) HG3 LYS 39 - HD2 LYS 12 OK 15 83 - 19 - 1716/3.6=2, 1716/3.6=2 HG3 LYS 39 - HD3 LYS 12 OK 15 83 - 19 - 1716/3.6=2, 1716/3.6=2 HG LEU 29 - HD2 LYS 12 OK 12 94 - 13 - 1290/3.0=1, 8675/3.6=1 HG LEU 29 - HD3 LYS 12 OK 12 94 - 13 - 1290/3.0=1, 8675/3.6=1 HG13 ILE 76 - HD2 LYS 13 lone 10 98 - 10 - ~10394=1, 532/3.0=1 HG13 ILE 76 - HD3 LYS 13 lone 10 97 - 10 - ~10394=1, 532/3.0=1 HG12 ILE 7 - HD2 LYS 13 lone 9 98 - 9 - HG12 ILE 7 - HD3 LYS 13 lone 9 97 - 9 - HG12 ILE 7 - HD3 LYS 12 lone 6 92 - 6 - HG12 ILE 7 - HD2 LYS 12 lone 6 92 - 6 - QB ALA 22 - HD3 LYS 12 lone 6 94 - 6 - 8581/3.0=1 QB ALA 22 - HD2 LYS 12 lone 6 94 - 6 - 8581/3.0=1 HG13 ILE 76 - HD3 LYS 12 lone 5 92 - 6 - HG13 ILE 76 - HD2 LYS 12 lone 5 92 - 6 - HG3 LYS 39 - HD2 LYS 13 lone 5 90 - 6 - 1713/6.0=1 HG3 LYS 39 - HD3 LYS 13 lone 5 88 - 6 - 1713/6.0=1 QB ALA 22 - HD3 LYS 24 lone 4 93 - 5 - 8589/6.3=2 QB ALA 22 - HD2 LYS 24 lone 4 89 - 5 - 8589/6.3=2 HG13 ILE 76 - HD3 LYS 24 lone 4 92 - 4 - HG13 ILE 76 - HD2 LYS 24 lone 4 87 - 4 - HG LEU 29 - HD2 LYS 13 lone 3 99 - 3 - HG LEU 29 - HD3 LYS 13 lone 3 98 - 3 - QB ALA 22 - HD2 LYS 13 lone 3 99 - 3 - QB ALA 22 - HD3 LYS 13 lone 3 98 - 3 - HG12 ILE 7 - HD3 LYS 24 lone 2 92 - 2 - HG12 ILE 7 - HD2 LYS 24 lone 2 87 - 2 - HG LEU 29 - HD3 LYS 24 lone 2 93 - 2 - HG LEU 29 - HD2 LYS 24 lone 1 89 - 2 - HG3 LYS 39 - HD3 LYS 24 lone 1 82 - 1 - HG3 LYS 39 - HD2 LYS 24 lone 1 77 - 1 - Peak 544 from cnoeabs.peaks (1.50, 1.70, 28.93 ppm; 2.48 A): 4 out of 72 assignments used, quality = 0.99: * HG3 LYS 13 + HD2 LYS 13 OK 75 100 - 75 - 3.0=59, 1.8/524=7...(15) HG3 LYS 13 + HD3 LYS 13 OK 75 99 - 75 - 3.0=59, 1.8/524=7...(15) HG3 LYS 24 + HD3 LYS 24 OK 63 82 - 78 - 3.0=59, 1101/1.8=6...(17) HG3 LYS 24 + HD2 LYS 24 OK 60 77 - 78 - 3.0=59, 1101/1.8=6...(19) HG3 LYS 13 - HD3 LYS 12 OK 26 96 - 28 - 535=3, 1.8/524=3...(9) HG3 LYS 13 - HD2 LYS 12 OK 26 96 - 28 - 535=3, 1.8/524=3...(9) HG3 LYS 66 - HD2 LYS 12 OK 24 95 - 26 - 2926=2, 2.9/2937=2...(9) HG3 LYS 66 - HD3 LYS 12 OK 24 95 - 26 - 2926=2, 2.9/2937=2...(9) HG2 LYS 66 - HD2 LYS 12 OK 24 92 - 26 - 2926=2, 2.9/2937=2...(9) HG2 LYS 66 - HD3 LYS 12 OK 24 92 - 26 - 2926=2, 2.9/2937=2...(9) HG3 LYS 13 - HD3 LYS 24 OK 20 95 - 21 - 535=2, 1.8/524=2, 535/1.8=1 HG3 LYS 13 - HD2 LYS 24 OK 19 92 - 21 - 535=2, 1.8/524=2, 535/1.8=1 HG2 LYS 47 - HD3 LYS 13 OK 19 97 - 20 - 522/3.0=2, 535=2 HG2 LYS 47 - HD2 LYS 13 OK 19 98 - 19 - 522/3.0=2, 535=2, 535/1.8=1 HG3 LYS 24 - HD2 LYS 12 OK 18 83 - 23 - 1102=2, 1102/1.8=2...(4) HG3 LYS 24 - HD3 LYS 12 OK 18 83 - 23 - 1102=2, 1102/1.8=2...(4) HG3 LYS 24 - HD2 LYS 13 OK 18 90 - 21 - 1102=2, 522/3.0=1, 1102/1.8=1 HG3 LYS 24 - HD3 LYS 13 OK 18 88 - 21 - 1102=2, 522/3.0=1, 1102/1.8=1 HG2 LYS 47 - HD3 LYS 24 OK 16 92 - 17 - 535=1 HG2 LYS 73 - HD3 LYS 24 OK 15 93 - 17 - 535=1, 3265/3.0=1 HG2 LYS 47 - HD2 LYS 24 OK 15 87 - 17 - 535=1 HG2 LYS 73 - HD2 LYS 24 OK 14 89 - 17 - 535=1, 3265/3.0=1 HG2 LYS 73 - HD2 LYS 13 OK 14 99 - 14 - 535=1, 522/3.0=1 HG2 LYS 73 - HD3 LYS 13 OK 14 98 - 14 - 535=1, 522/3.0=1 HG3 LYS 66 - HD2 LYS 13 OK 11 99 - 11 - HG3 LYS 66 - HD3 LYS 13 OK 11 98 - 11 - HG2 LYS 66 - HD2 LYS 13 OK 11 98 - 11 - HG2 LYS 66 - HD3 LYS 13 OK 11 97 - 11 - HG3 LYS 33 - HD2 LYS 13 OK 10 97 - 11 - 522/3.0=2 HG3 LYS 33 - HD3 LYS 13 OK 10 96 - 11 - 522/3.0=2 HG3 LYS 66 - HD3 LYS 24 OK 10 94 - 11 - HG2 LYS 66 - HD3 LYS 24 poor 10 92 - 11 - HG3 LYS 66 - HD2 LYS 24 poor 10 90 - 11 - HG2 LYS 73 - HD2 LYS 12 lone 9 94 - 10 - HG2 LYS 73 - HD3 LYS 12 lone 9 94 - 10 - HG2 LYS 66 - HD2 LYS 24 poor 9 87 - 11 - HG3 LYS 33 - HD3 LYS 24 lone 5 90 - 6 - HG LEU 2 - HD2 LYS 13 lone 5 65 - 8 - HG3 LYS 33 - HD2 LYS 24 lone 5 86 - 6 - HG LEU 2 - HD3 LYS 13 lone 5 64 - 8 - HG LEU 2 - HD3 LYS 24 lone 4 58 - 7 - HG3 LYS 33 - HD3 LYS 12 lone 4 91 - 4 - HG3 LYS 33 - HD2 LYS 12 lone 4 91 - 4 - HG LEU 2 - HD2 LYS 24 lone 4 54 - 7 - HG2 LYS 47 - HD3 LYS 12 lone 4 92 - 4 - HG2 LYS 47 - HD2 LYS 12 lone 4 92 - 4 - HG LEU 57 - HD2 LYS 13 lone 3 99 - 3 - HG LEU 2 - HD2 LYS 12 lone 3 59 - 5 - HG LEU 2 - HD3 LYS 12 lone 3 59 - 5 - HG LEU 57 - HD3 LYS 13 lone 3 98 - 3 - HB2 ARG 91 - HD3 LYS 12 lone 2 83 - 3 - HB2 ARG 91 - HD2 LYS 12 lone 2 83 - 3 - HB2 ARG 91 - HD2 LYS 13 lone 2 90 - 3 - HB2 ARG 91 - HD3 LYS 13 lone 2 88 - 3 - HB2 ARG 91 - HD3 LYS 24 lone 2 82 - 2 - HB2 ARG 91 - HD2 LYS 24 lone 2 77 - 2 - HB3 LEU 64 - HD2 LYS 13 lone 2 97 - 2 - HB3 LEU 64 - HD3 LYS 13 lone 1 96 - 2 - HB3 LEU 64 - HD3 LYS 24 lone 1 90 - 1 - HB3 LEU 64 - HD2 LYS 24 lone 1 86 - 1 - HG LEU 57 - HD3 LYS 24 lone 1 94 - 1 - HG LEU 57 - HD2 LYS 24 lone 1 90 - 1 - HB3 LEU 64 - HD2 LYS 12 lone 1 91 - 1 - HB3 LEU 64 - HD3 LYS 12 lone 1 91 - 1 - HG LEU 64 - HD2 LYS 13 lone 1 70 - 1 - HG LEU 64 - HD3 LYS 13 lone 1 68 - 1 - HG LEU 57 - HD2 LYS 12 lone 1 95 - 1 - HG LEU 57 - HD3 LYS 12 lone 1 95 - 1 - HG LEU 64 - HD3 LYS 24 lone 1 62 - 1 - HG LEU 64 - HD2 LYS 24 lone 1 58 - 1 - HG LEU 64 - HD3 LYS 12 lone 0 63 - 1 - HG LEU 64 - HD2 LYS 12 lone 0 63 - 1 - Peak 545 from cnoeabs.peaks (1.70, 1.70, 28.93 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 99 99 - 100 HD3 LYS 12 + HD3 LYS 12 OK 96 96 - 100 HD2 LYS 12 + HD2 LYS 12 OK 96 96 - 100 HD3 LYS 24 + HD3 LYS 24 OK 94 94 - 100 HD2 LYS 24 + HD2 LYS 24 OK 89 89 - 100 Peak 546 from cnoeabs.peaks (1.70, 1.70, 28.93 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 99 99 - 100 HD3 LYS 12 + HD3 LYS 12 OK 96 96 - 100 HD2 LYS 12 + HD2 LYS 12 OK 96 96 - 100 HD3 LYS 24 + HD3 LYS 24 OK 92 92 - 100 HD2 LYS 24 + HD2 LYS 24 OK 86 86 - 100 Reference assignment not found: HD3 LYS 13 - HD2 LYS 13 Peak 547 from cnoeabs.peaks (2.96, 1.70, 28.93 ppm; 2.84 A): 10 out of 66 assignments used, quality = 1.00: * HE2 LYS 13 + HD2 LYS 13 OK 94 100 - 94 - 2.9=90, 3.8/524=4...(21) HE3 LYS 13 + HD2 LYS 13 OK 94 100 - 94 - 2.9=90, 3.8/524=4...(22) HE2 LYS 13 + HD3 LYS 13 OK 93 99 - 94 - 2.9=90, 3.8/524=4...(21) HE3 LYS 13 + HD3 LYS 13 OK 93 99 - 94 - 2.9=90, 3.8/524=4...(22) HE2 LYS 24 + HD3 LYS 24 OK 88 95 - 93 - 3.0=87, 3.7/1102=4...(29) HE3 LYS 24 + HD3 LYS 24 OK 88 95 - 93 - 3.0=87, 3.7/1102=4...(29) HE3 LYS 12 + HD3 LYS 12 OK 87 94 - 93 - 3.0=86, 1.8/465=9...(16) HE3 LYS 12 + HD2 LYS 12 OK 87 94 - 93 - 3.0=86, 1.8/465=9...(16) HE3 LYS 24 + HD2 LYS 24 OK 84 91 - 93 - 3.0=87, 3.7/1102=4...(29) HE2 LYS 24 + HD2 LYS 24 OK 84 91 - 93 - 3.0=87, 3.7/1102=4...(29) HE2 LYS 13 - HD3 LYS 12 OK 26 96 - 27 - 468/3.0=2, 424/3.0=2...(5) HE2 LYS 13 - HD2 LYS 12 OK 26 96 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 13 - HD3 LYS 12 OK 26 96 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 13 - HD2 LYS 12 OK 26 96 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 12 - HD2 LYS 13 OK 23 99 - 23 - 1.8/465=3, ~463=2...(8) HE3 LYS 12 - HD3 LYS 13 OK 22 98 - 23 - 1.8/466=3, ~463=2...(8) HE2 LYS 24 - HD2 LYS 12 OK 22 96 - 24 - 468/3.0=2, 424/3.0=2...(4) HE2 LYS 24 - HD3 LYS 12 OK 22 96 - 24 - 468/3.0=2, 424/3.0=2...(4) HE3 LYS 24 - HD3 LYS 12 OK 22 96 - 24 - 468/3.0=2, 424/3.0=2...(4) HE3 LYS 24 - HD2 LYS 12 OK 22 96 - 24 - 468/3.0=2, 424/3.0=2...(4) HE3 LYS 12 - HD3 LYS 24 OK 20 93 - 22 - 1.8/466=2, ~464=2...(7) HE3 LYS 12 - HD2 LYS 24 OK 19 89 - 22 - 1.8/466=2, ~464=2...(7) HE2 LYS 24 - HD2 LYS 13 OK 18 100 - 18 - 526/3.0=1 HE3 LYS 24 - HD2 LYS 13 OK 18 100 - 18 - 526/3.0=1 HE3 LYS 24 - HD3 LYS 13 OK 18 99 - 18 - 526/3.0=1 HE2 LYS 24 - HD3 LYS 13 OK 18 99 - 18 - 526/3.0=1 HE2 LYS 13 - HD3 LYS 24 OK 17 95 - 18 - 1103/3.0=1, 3.8/524=1 HE3 LYS 13 - HD3 LYS 24 OK 17 95 - 18 - 1103/3.0=1, 3.8/524=1 HE2 LYS 13 - HD2 LYS 24 OK 17 92 - 18 - 1103/3.0=1, 3.8/524=1 HE3 LYS 13 - HD2 LYS 24 OK 16 91 - 18 - 1104/3.0=1, 3.8/524=1 HE2 LYS 73 - HD3 LYS 24 poor 9 86 - 11 - 1103/3.0=1 HE3 LYS 47 - HD2 LYS 13 poor 9 81 - 11 - HE2 LYS 47 - HD2 LYS 13 poor 9 81 - 11 - HE2 LYS 47 - HD3 LYS 13 poor 9 79 - 12 - HE3 LYS 47 - HD3 LYS 13 poor 9 79 - 12 - HE2 LYS 73 - HD2 LYS 24 poor 9 82 - 11 - 1104/3.0=1 HE3 LYS 73 - HD3 LYS 24 poor 8 73 - 11 - 3320/3.0=1 HE3 LYS 73 - HD2 LYS 24 poor 8 68 - 11 - 3320/3.0=1 HE2 LYS 47 - HD3 LYS 24 poor 7 73 - 10 - HE3 LYS 47 - HD3 LYS 24 poor 7 73 - 10 - HE3 LYS 47 - HD2 LYS 24 poor 7 68 - 10 - HE2 LYS 47 - HD2 LYS 24 poor 7 68 - 10 - HE2 LYS 73 - HD2 LYS 13 lone 6 94 - 7 - HE2 LYS 73 - HD3 LYS 13 lone 6 92 - 7 - HE3 LYS 73 - HD2 LYS 13 lone 6 81 - 7 - HE3 LYS 73 - HD3 LYS 13 lone 6 79 - 7 - HE2 LYS 73 - HD2 LYS 12 lone 5 87 - 5 - HE2 LYS 73 - HD3 LYS 12 lone 5 87 - 5 - HE3 LYS 73 - HD2 LYS 12 lone 4 73 - 5 - HE3 LYS 73 - HD3 LYS 12 lone 4 73 - 5 - HE3 LYS 47 - HD3 LYS 12 lone 3 73 - 4 - HE2 LYS 47 - HD3 LYS 12 lone 3 73 - 4 - HE2 LYS 47 - HD2 LYS 12 lone 3 73 - 4 - HE3 LYS 47 - HD2 LYS 12 lone 3 73 - 4 - HB2 ASN 51 - HD2 LYS 13 lone 2 81 - 2 - HB2 ASN 51 - HD3 LYS 13 lone 2 79 - 2 - HB3 PHE 45 - HD3 LYS 12 lone 1 91 - 1 - HB3 PHE 45 - HD2 LYS 12 lone 1 91 - 1 - HB3 PHE 45 - HD2 LYS 13 lone 1 97 - 1 - HB3 PHE 45 - HD3 LYS 13 lone 1 96 - 1 - HB3 PHE 45 - HD3 LYS 24 lone 1 90 - 1 - HB3 PHE 45 - HD2 LYS 24 lone 1 86 - 1 - HB2 ASN 51 - HD3 LYS 24 lone 1 73 - 1 - HB2 ASN 51 - HD2 LYS 24 lone 1 68 - 1 - HB2 ASN 51 - HD3 LYS 12 lone 1 73 - 1 - HB2 ASN 51 - HD2 LYS 12 lone 1 73 - 1 - Peak 548 from cnoeabs.peaks (2.96, 1.70, 28.93 ppm; 2.84 A): 10 out of 72 assignments used, quality = 1.00: * HE3 LYS 13 + HD2 LYS 13 OK 94 100 - 94 - 2.9=90, 3.8/524=4...(22) HE2 LYS 13 + HD2 LYS 13 OK 94 100 - 94 - 2.9=90, 3.8/524=4...(21) HE3 LYS 13 + HD3 LYS 13 OK 93 99 - 94 - 2.9=90, 3.8/524=4...(22) HE2 LYS 13 + HD3 LYS 13 OK 93 99 - 94 - 2.9=90, 3.8/524=4...(21) HE3 LYS 24 + HD3 LYS 24 OK 87 94 - 93 - 3.0=87, 3.7/1102=4...(29) HE2 LYS 24 + HD3 LYS 24 OK 87 94 - 93 - 3.0=87, 3.7/1102=4...(29) HE3 LYS 12 + HD2 LYS 12 OK 84 91 - 93 - 3.0=86, 1.8/465=9...(16) HE3 LYS 12 + HD3 LYS 12 OK 84 91 - 93 - 3.0=86, 1.8/465=9...(16) HE3 LYS 24 + HD2 LYS 24 OK 83 90 - 93 - 3.0=87, 3.7/1102=4...(29) HE2 LYS 24 + HD2 LYS 24 OK 83 90 - 93 - 3.0=87, 3.7/1102=4...(29) HE3 LYS 13 - HD3 LYS 12 OK 26 96 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 13 - HD2 LYS 12 OK 26 96 - 27 - 468/3.0=2, 424/3.0=2...(5) HE2 LYS 13 - HD3 LYS 12 OK 25 96 - 27 - 468/3.0=2, 424/3.0=2...(5) HE2 LYS 13 - HD2 LYS 12 OK 25 96 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 12 - HD2 LYS 13 OK 22 97 - 23 - 1.8/466=3, ~463=2...(8) HE3 LYS 24 - HD3 LYS 12 OK 22 95 - 23 - 468/3.0=2, 424/3.0=2...(4) HE3 LYS 24 - HD2 LYS 12 OK 22 95 - 23 - 468/3.0=2, 424/3.0=2...(4) HE2 LYS 24 - HD2 LYS 12 OK 22 95 - 23 - 468/3.0=2, 424/3.0=2...(4) HE2 LYS 24 - HD3 LYS 12 OK 22 95 - 23 - 468/3.0=2, 424/3.0=2...(4) HE3 LYS 12 - HD3 LYS 13 OK 22 96 - 23 - 1.8/465=3, ~463=2...(8) HE3 LYS 12 - HD3 LYS 24 OK 19 90 - 22 - 1.8/465=2, ~464=2...(7) HE3 LYS 12 - HD2 LYS 24 OK 18 86 - 22 - 1.8/466=2, ~464=2...(7) HE3 LYS 24 - HD2 LYS 13 OK 18 99 - 18 - 526/3.0=1 HE2 LYS 24 - HD2 LYS 13 OK 18 99 - 18 - 526/3.0=1 HE2 LYS 24 - HD3 LYS 13 OK 18 98 - 18 - 526/3.0=1 HE3 LYS 24 - HD3 LYS 13 OK 18 98 - 18 - 526/3.0=1 HE3 LYS 13 - HD3 LYS 24 OK 17 95 - 18 - 1103/3.0=1, 3.8/524=1 HE2 LYS 13 - HD3 LYS 24 OK 17 95 - 18 - 1104/3.0=1, 3.8/524=1 HE3 LYS 13 - HD2 LYS 24 OK 17 92 - 18 - 1104/3.0=1, 3.8/524=1 HE2 LYS 13 - HD2 LYS 24 OK 16 91 - 18 - 1103/3.0=1, 3.8/524=1 HE2 LYS 73 - HD3 LYS 24 poor 10 90 - 11 - 1103/3.0=1, 3320/3.0=1 HE2 LYS 73 - HD2 LYS 24 poor 9 86 - 11 - 1104/3.0=1, 3320/3.0=1 HE3 LYS 73 - HD3 LYS 24 poor 9 79 - 12 - 3320/3.0=1 HE3 LYS 73 - HD2 LYS 24 poor 9 74 - 12 - 3320/3.0=1 HE2 LYS 47 - HD2 LYS 13 poor 8 73 - 11 - HE3 LYS 47 - HD2 LYS 13 poor 8 73 - 11 - HE3 LYS 47 - HD3 LYS 13 poor 8 71 - 11 - HE2 LYS 47 - HD3 LYS 13 poor 8 71 - 11 - HE2 LYS 73 - HD2 LYS 13 lone 7 97 - 7 - HE2 LYS 47 - HD3 LYS 24 poor 7 66 - 10 - HE3 LYS 47 - HD3 LYS 24 poor 7 66 - 10 - HE2 LYS 73 - HD3 LYS 13 lone 6 96 - 7 - HE3 LYS 73 - HD2 LYS 13 lone 6 87 - 7 - HE3 LYS 73 - HD3 LYS 13 lone 6 85 - 7 - HE3 LYS 47 - HD2 LYS 24 lone 6 62 - 10 - HE2 LYS 47 - HD2 LYS 24 lone 6 62 - 10 - HE2 LYS 73 - HD2 LYS 12 lone 5 91 - 6 - HE2 LYS 73 - HD3 LYS 12 lone 5 91 - 6 - HE3 LYS 73 - HD3 LYS 12 lone 4 80 - 6 - HE3 LYS 73 - HD2 LYS 12 lone 4 80 - 6 - HE3 LYS 47 - HD3 LYS 12 lone 3 66 - 4 - HE3 LYS 47 - HD2 LYS 12 lone 3 66 - 4 - HE2 LYS 47 - HD2 LYS 12 lone 3 66 - 4 - HE2 LYS 47 - HD3 LYS 12 lone 3 66 - 4 - HB2 ASN 51 - HD2 LYS 13 lone 2 87 - 2 - HB2 ASN 51 - HD3 LYS 13 lone 2 85 - 2 - HB3 PHE 45 - HD2 LYS 12 lone 1 87 - 1 - HB3 PHE 45 - HD3 LYS 12 lone 1 87 - 1 - HG2 MET 21 - HD3 LYS 12 lone 1 59 - 2 - HG2 MET 21 - HD2 LYS 12 lone 1 59 - 2 - HB3 PHE 45 - HD2 LYS 13 lone 1 94 - 1 - HB3 PHE 45 - HD3 LYS 13 lone 1 92 - 1 - HG2 MET 21 - HD3 LYS 24 lone 1 58 - 2 - HG2 MET 21 - HD2 LYS 24 lone 1 54 - 2 - HB2 ASN 51 - HD3 LYS 24 lone 1 79 - 1 - HB3 PHE 45 - HD3 LYS 24 lone 1 86 - 1 - HB2 ASN 51 - HD2 LYS 24 lone 1 74 - 1 - HB3 PHE 45 - HD2 LYS 24 lone 1 82 - 1 - HG2 MET 21 - HD2 LYS 13 lone 1 65 - 1 - HG2 MET 21 - HD3 LYS 13 lone 1 64 - 1 - HB2 ASN 51 - HD2 LYS 12 lone 1 80 - 1 - HB2 ASN 51 - HD3 LYS 12 lone 1 80 - 1 - Peak 549 from cnoeabs.peaks (7.55, 1.70, 28.93 ppm; 4.40 A): 4 out of 18 assignments used, quality = 0.97: * H LEU 14 + HD2 LYS 13 OK 68 100 - 68 - 6192/3.0=14, 527/3.0=13...(13) H LEU 14 + HD3 LYS 13 OK 68 99 - 68 - 6192/3.0=14, 527/3.0=13...(12) H LEU 14 + HD2 LYS 12 OK 44 96 - 46 - 6185/6.2=10, 12269/3.0=6...(13) H LEU 14 + HD3 LYS 12 OK 44 96 - 46 - 6185/6.2=10, 12269/3.0=6...(13) H ILE 76 - HD2 LYS 13 OK 34 96 - 35 - 527/3.0=9, 6182/6.0=6...(8) H ILE 76 - HD3 LYS 13 OK 33 94 - 35 - 527/3.0=9, 6182/6.0=6...(8) H LEU 14 - HD3 LYS 24 OK 23 95 - 24 - 6192/3.0=3, 3.6/488=2...(9) H LEU 14 - HD2 LYS 24 OK 22 92 - 24 - 6192/3.0=3, 3.6/488=2...(9) H ILE 76 - HD2 LYS 12 OK 14 89 - 15 - 6161/6.2=3, 9649/5.2=3 H ILE 76 - HD3 LYS 12 OK 14 89 - 15 - 6161/6.2=3, 9649/5.2=3 H ILE 76 - HD3 LYS 24 OK 13 88 - 15 - 9644/3.6=3, 9644/3.6=3, ~8595=1 H ILE 76 - HD2 LYS 24 OK 12 84 - 15 - 9644/3.6=3, 9644/3.6=3, ~8595=1 H GLU 88 - HD3 LYS 24 OK 11 54 - 20 - 1095/3.0=2, 1049/4.9=2...(10) H GLU 88 - HD2 LYS 24 poor 10 51 - 20 - 1095/3.0=2, 1049/4.9=2...(10) H GLU 88 - HD2 LYS 13 poor 9 61 - 15 - 527/3.0=2, ~3870=2...(7) H GLU 88 - HD3 LYS 13 poor 9 60 - 15 - 527/3.0=2, ~3870=2...(8) H GLU 88 - HD2 LYS 12 lone 4 55 - 7 - 3.6/9909=1 H GLU 88 - HD3 LYS 12 lone 4 55 - 7 - 3.6/9909=1 Peak 550 from cnoeabs.peaks (8.07, 1.70, 28.93 ppm; 4.18 A): 6 out of 36 assignments used, quality = 1.00: * H LYS 13 + HD3 LYS 13 OK 85 100 - 85 - 6.0=34, 517/3.0=16...(27) H LYS 13 + HD2 LYS 13 OK 84 99 - 85 - 6.0=34, 517/3.0=16...(27) H LYS 13 + HD2 LYS 12 OK 71 95 - 75 - 425/3.0=13, 6165/3.6=13...(24) H LYS 13 + HD3 LYS 12 OK 71 95 - 75 - 425/3.0=13, 6165/3.6=13...(24) H ILE 15 + HD3 LYS 13 OK 49 100 - 50 - 517/3.0=9, 6208/5.5=8...(17) H ILE 15 + HD2 LYS 13 OK 49 99 - 50 - 517/3.0=9, 6208/5.5=8...(17) H ILE 15 - HD3 LYS 12 OK 45 94 - 48 - 425/3.0=7, 6206/5.2=6...(17) H ILE 15 - HD2 LYS 12 OK 45 94 - 48 - 425/3.0=7, 6206/5.2=6...(17) H LYS 13 - HD3 LYS 24 OK 31 86 - 36 - 6168/3.0=3, 6179=3...(21) H LYS 13 - HD2 LYS 24 OK 29 80 - 36 - 6168/3.0=3, 6179=3...(21) H LYS 39 - HD2 LYS 12 OK 26 87 - 30 - 425/3.0=8, 6605/3.6=6...(7) H LYS 39 - HD3 LYS 12 OK 26 87 - 30 - 425/3.0=8, 6605/3.6=6...(7) H GLU 75 - HD3 LYS 13 OK 18 100 - 18 - 517/3.0=4, 9618/5.5=4...(7) H GLU 75 - HD2 LYS 13 OK 18 99 - 18 - 517/3.0=4, 9618/5.5=4...(7) H GLU 17 - HD3 LYS 13 OK 14 87 - 16 - 10427/5.5=2, 517/3.0=2...(5) H GLU 17 - HD2 LYS 13 OK 13 85 - 16 - 10427/5.5=2, 517/3.0=2...(5) H ILE 15 - HD3 LYS 24 OK 12 86 - 14 - 6219/1.8=1, 4.6/6194=1...(4) H GLU 75 - HD3 LYS 12 OK 11 94 - 12 - 425/3.0=2, 436/3.0=2, 390/5.2=1 H GLU 75 - HD2 LYS 12 OK 11 94 - 12 - 425/3.0=2, 436/3.0=2, 390/5.2=1 H ILE 15 - HD2 LYS 24 OK 11 80 - 14 - 6219/1.8=1, 4.6/6194=1...(4) H GLU 17 - HD2 LYS 12 poor 10 78 - 13 - 425/3.0=1, 5.1/10436=1 H GLU 17 - HD3 LYS 12 poor 10 78 - 13 - 425/3.0=1, 5.1/10436=1 H LYS 39 - HD3 LYS 13 lone 9 96 - 10 - 517/3.0=2 H LYS 39 - HD2 LYS 13 lone 9 94 - 10 - 517/3.0=2 H GLU 75 - HD3 LYS 24 lone 9 86 - 10 - 7236/3.6=2, 7236/3.6=2...(4) H GLU 75 - HD2 LYS 24 lone 8 80 - 10 - 7236/3.6=2, 7236/3.6=2...(4) H GLU 17 - HD3 LYS 24 lone 3 69 - 5 - H GLU 17 - HD2 LYS 24 lone 3 63 - 5 - H SER 102 - HD3 LYS 12 lone 2 65 - 4 - H SER 102 - HD2 LYS 12 lone 2 65 - 4 - H LYS 39 - HD3 LYS 24 lone 2 79 - 3 - H SER 102 - HD3 LYS 13 lone 2 73 - 3 - H LYS 39 - HD2 LYS 24 lone 2 73 - 3 - H SER 102 - HD2 LYS 13 lone 2 71 - 3 - H SER 102 - HD3 LYS 24 lone 1 57 - 2 - H SER 102 - HD2 LYS 24 lone 1 52 - 2 - Peak 551 from cnoeabs.peaks (4.15, 1.70, 28.93 ppm; 3.65 A): 4 out of 42 assignments used, quality = 0.99: * HA LYS 13 + HD3 LYS 13 OK 83 100 - 83 - 5.5=30, 518/3.0=14...(44) HA LYS 13 + HD2 LYS 13 OK 82 99 - 83 - 5.5=30, 518/3.0=14...(44) HA LYS 13 + HD3 LYS 12 OK 57 95 - 60 - 488=6, 485/3.0=5, ~425=4...(30) HA LYS 13 + HD2 LYS 12 OK 57 95 - 60 - 488=6, 485/3.0=5, ~425=4...(30) HA LYS 47 - HD3 LYS 13 OK 35 90 - 39 - 518/3.0=5, 2126/3.0=4...(14) HA LYS 47 - HD2 LYS 13 OK 33 88 - 38 - 518/3.0=5, 2126/3.0=4...(13) HA LYS 13 - HD3 LYS 24 OK 33 86 - 38 - 488=4, 488/1.8=3...(12) HA LYS 13 - HD2 LYS 24 OK 30 80 - 38 - 488=4, 488/1.8=3...(12) HA LYS 47 - HD3 LYS 24 OK 26 72 - 36 - 2124/3.6=3, 2124/3.6=3...(7) HA LYS 47 - HD2 LYS 24 OK 24 66 - 36 - 2124/3.6=3, 2124/3.6=3...(6) HA LYS 73 - HD3 LYS 24 OK 14 54 - 27 - 3232/3.0=2, 3231/3.0=2...(8) HA LYS 73 - HD3 LYS 13 OK 14 70 - 20 - 518/3.0=2, 3231/3.0=1...(4) HA LYS 73 - HD2 LYS 13 OK 14 68 - 20 - 518/3.0=2, 3231/3.0=1...(4) HA LYS 73 - HD2 LYS 24 OK 13 49 - 27 - 3232/3.0=2, 3231/3.0=2...(8) HA GLN 72 - HD3 LYS 13 OK 12 100 - 12 - 518/3.0=2, 6173/6.0=1...(5) HA GLN 72 - HD2 LYS 13 OK 12 99 - 12 - 518/3.0=2, 6173/6.0=1...(5) HA MET 1 - HD3 LYS 13 lone 9 100 - 9 - 518/3.0=1, 8008/3.0=1 HA MET 1 - HD2 LYS 13 lone 9 99 - 9 - 518/3.0=1, 8008/3.0=1 HA MET 1 - HD3 LYS 24 lone 8 85 - 10 - 7/3.6=1, 7/3.6=1...(4) HA MET 1 - HD2 LYS 24 lone 8 79 - 10 - 7/3.6=1, 7/3.6=1...(4) HA GLU 23 - HD3 LYS 24 lone 7 79 - 9 - 6377/6.3=3, ~10458=1 HA LYS 73 - HD3 LYS 12 poor 7 61 - 12 - ~3271=1, 3232/3.0=1 HA LYS 73 - HD2 LYS 12 poor 7 61 - 12 - ~3271=1, 3232/3.0=1 HA GLU 23 - HD2 LYS 24 lone 7 73 - 9 - 6377/6.3=3, ~10458=1 HA LYS 47 - HD2 LYS 12 lone 7 81 - 8 - HA LYS 47 - HD3 LYS 12 lone 7 81 - 8 - HA GLU 23 - HD2 LYS 13 lone 6 94 - 6 - 518/3.0=1 HA GLU 23 - HD3 LYS 13 lone 6 96 - 6 - 518/3.0=1 HA GLN 72 - HD2 LYS 12 lone 5 95 - 5 - HA GLN 72 - HD3 LYS 12 lone 5 95 - 5 - HA GLU 23 - HD3 LYS 12 lone 4 87 - 4 - HA GLU 23 - HD2 LYS 12 lone 4 87 - 4 - HA MET 1 - HD2 LYS 12 lone 3 94 - 4 - HA MET 1 - HD3 LYS 12 lone 3 94 - 4 - HA GLN 72 - HD3 LYS 24 lone 3 86 - 4 - HB2 SER 59 - HD3 LYS 13 lone 3 99 - 3 - HB2 SER 59 - HD2 LYS 13 lone 3 98 - 3 - HA GLN 72 - HD2 LYS 24 lone 3 80 - 4 - HB2 SER 59 - HD3 LYS 24 lone 1 85 - 1 - HB2 SER 59 - HD2 LYS 24 lone 1 78 - 1 - HB2 SER 59 - HD2 LYS 12 lone 1 93 - 1 - HB2 SER 59 - HD3 LYS 12 lone 1 93 - 1 - Peak 552 from cnoeabs.peaks (1.92, 1.70, 28.93 ppm; 2.84 A): 4 out of 60 assignments used, quality = 1.00: * HB2 LYS 13 + HD3 LYS 13 OK 79 100 - 79 - 3.6=50, 3.0/524=6...(31) HB3 LYS 13 + HD3 LYS 13 OK 79 100 - 79 - 3.6=50, 3.0/524=6...(31) HB2 LYS 13 + HD2 LYS 13 OK 78 99 - 79 - 3.6=50, 3.0/524=6...(31) HB3 LYS 13 + HD2 LYS 13 OK 78 99 - 79 - 3.6=50, 3.0/524=6...(31) HB2 LYS 13 - HD3 LYS 12 OK 34 95 - 36 - 3.0/524=2, 3.0/488=2...(10) HB2 LYS 13 - HD2 LYS 12 OK 34 95 - 36 - 3.0/524=2, 3.0/488=2...(10) HB3 LYS 13 - HD3 LYS 12 OK 34 94 - 36 - 3.0/524=2, 3.0/488=2...(10) HB3 LYS 13 - HD2 LYS 12 OK 34 94 - 36 - 3.0/524=2, 3.0/488=2...(10) HB3 LYS 47 - HD3 LYS 13 OK 26 96 - 28 - 519/3.0=2, 2150/3.0=2, ~518=1 HB2 LYS 13 - HD3 LYS 24 OK 24 86 - 28 - 3.0/524=2, 502=1...(6) HB3 LYS 47 - HD2 LYS 13 OK 24 94 - 26 - 519/3.0=2, 2150/3.0=2, ~518=1 HB3 LYS 13 - HD3 LYS 24 OK 24 86 - 28 - 3.0/524=2, 3.0/488=1...(6) HB2 LYS 13 - HD2 LYS 24 OK 23 80 - 28 - 3.0/524=2, 502=1...(5) HB3 LYS 13 - HD2 LYS 24 OK 23 80 - 28 - 3.0/524=2, 3.0/488=1...(5) HB3 LYS 47 - HD3 LYS 24 OK 22 79 - 28 - 2148/3.6=1, 2148/3.6=1...(7) HB3 LYS 47 - HD2 LYS 24 OK 20 73 - 28 - 2148/3.6=1, 2148/3.6=1...(7) HB3 LYS 33 - HD3 LYS 13 OK 14 100 - 15 - 1440/3.0=2, 519/3.0=1 HB2 LYS 33 - HD3 LYS 13 OK 14 100 - 15 - 1429/3.0=2, 519/3.0=1 HB3 LYS 33 - HD2 LYS 13 OK 14 99 - 15 - 1440/3.0=2, 519/3.0=1 HB2 LYS 33 - HD2 LYS 13 OK 14 99 - 15 - 1429/3.0=2, 519/3.0=1 HB3 LEU 14 - HD3 LYS 13 OK 11 81 - 14 - 3.8/6194=2, 520/3.0=2...(4) HB3 LEU 14 - HD2 LYS 13 OK 11 79 - 14 - 3.8/6194=2, 520/3.0=2...(4) HB2 LYS 33 - HD3 LYS 24 lone 6 86 - 7 - HB3 LYS 33 - HD3 LYS 24 lone 6 86 - 7 - HB3 LYS 33 - HD3 LYS 12 lone 6 94 - 6 - HB3 LYS 33 - HD2 LYS 12 lone 6 94 - 6 - HB2 LYS 33 - HD2 LYS 12 lone 6 94 - 6 - HB2 LYS 33 - HD3 LYS 12 lone 6 94 - 6 - HB2 LYS 33 - HD2 LYS 24 lone 6 80 - 7 - HB3 LYS 33 - HD2 LYS 24 lone 6 80 - 7 - HB3 LYS 47 - HD3 LYS 12 lone 5 87 - 6 - HB3 LYS 47 - HD2 LYS 12 lone 5 87 - 6 - HB3 LEU 14 - HD3 LYS 12 lone 4 72 - 6 - 3.8/6194=1 HB3 LEU 14 - HD2 LYS 12 lone 4 72 - 6 - 3.8/6194=1 HB2 LYS 94 - HD3 LYS 12 lone 4 91 - 5 - HB2 LYS 94 - HD2 LYS 12 lone 4 91 - 5 - HB3 LEU 14 - HD3 LYS 24 lone 4 63 - 6 - 8420/4.9=1 HB3 LEU 14 - HD2 LYS 24 lone 4 58 - 6 - 8420/4.9=1 HB2 LYS 94 - HD3 LYS 13 lone 2 98 - 2 - HB2 LYS 94 - HD2 LYS 13 lone 2 97 - 2 - HB2 LYS 94 - HD3 LYS 24 lone 2 82 - 3 - HB2 LYS 94 - HD2 LYS 24 lone 2 76 - 3 - HB3 ARG 19 - HD2 LYS 12 lone 1 75 - 2 - HB3 ARG 19 - HD3 LYS 12 lone 1 75 - 2 - HB2 GLU 43 - HD3 LYS 13 lone 1 92 - 1 - HB2 GLU 43 - HD2 LYS 13 lone 1 90 - 1 - HB3 ARG 19 - HD3 LYS 13 lone 1 84 - 1 - HB3 ARG 19 - HD2 LYS 13 lone 1 82 - 1 - HB3 ARG 19 - HD3 LYS 24 lone 1 66 - 1 - HB2 GLU 43 - HD2 LYS 12 lone 1 83 - 1 - HB2 GLU 43 - HD3 LYS 12 lone 1 83 - 1 - HB3 ARG 19 - HD2 LYS 24 lone 1 61 - 1 - HB3 LYS 20 - HD3 LYS 12 lone 0 57 - 1 - HB3 LYS 20 - HD2 LYS 12 lone 0 57 - 1 - HB2 GLU 43 - HD3 LYS 24 lone 0 74 - 1 - HB2 GLU 43 - HD2 LYS 24 lone 0 68 - 1 - HB3 LYS 20 - HD3 LYS 13 lone 0 65 - 1 - HB3 LYS 20 - HD2 LYS 13 lone 0 64 - 1 - HB3 LYS 20 - HD3 LYS 24 lone 0 50 - 1 - HB3 LYS 20 - HD2 LYS 24 lone 0 45 - 1 - Peak 553 from cnoeabs.peaks (1.91, 1.70, 28.93 ppm; 2.84 A): 4 out of 66 assignments used, quality = 1.00: * HB3 LYS 13 + HD3 LYS 13 OK 79 100 - 79 - 3.6=50, 3.0/524=6...(31) HB2 LYS 13 + HD3 LYS 13 OK 79 100 - 79 - 3.6=50, 3.0/524=6...(31) HB3 LYS 13 + HD2 LYS 13 OK 78 99 - 79 - 3.6=50, 3.0/524=6...(31) HB2 LYS 13 + HD2 LYS 13 OK 78 99 - 79 - 3.6=50, 3.0/524=6...(31) HB3 LYS 13 - HD2 LYS 12 OK 34 95 - 36 - 3.0/524=2, 3.0/488=2...(10) HB3 LYS 13 - HD3 LYS 12 OK 34 95 - 36 - 3.0/524=2, 3.0/488=2...(10) HB2 LYS 13 - HD3 LYS 12 OK 34 94 - 36 - 3.0/524=2, 3.0/488=2...(10) HB2 LYS 13 - HD2 LYS 12 OK 34 94 - 36 - 3.0/524=2, 3.0/488=2...(10) HB3 LYS 47 - HD3 LYS 13 OK 25 92 - 27 - 519/3.0=2, 2150/3.0=2, ~518=1 HB3 LYS 13 - HD3 LYS 24 OK 24 86 - 28 - 3.0/524=2, 3.0/488=1...(6) HB2 LYS 13 - HD3 LYS 24 OK 24 86 - 28 - 3.0/524=2, 3.0/488=1...(6) HB3 LYS 47 - HD2 LYS 13 OK 23 90 - 26 - 519/3.0=2, 2150/3.0=2, ~518=1 HB3 LYS 13 - HD2 LYS 24 OK 23 80 - 28 - 3.0/524=2, 3.0/488=1...(5) HB2 LYS 13 - HD2 LYS 24 OK 23 80 - 28 - 3.0/524=2, 3.0/488=1...(5) HB3 LYS 47 - HD3 LYS 24 OK 20 74 - 28 - 2148/3.6=1, 2148/3.6=1...(4) HB3 LYS 47 - HD2 LYS 24 OK 19 68 - 27 - 2148/3.6=1, 2148/3.6=1...(4) HB3 LYS 33 - HD3 LYS 13 OK 14 100 - 15 - 1440/3.0=2, 519/3.0=1 HB2 LYS 33 - HD3 LYS 13 OK 14 100 - 15 - 1429/3.0=2, 519/3.0=1 HB3 LYS 33 - HD2 LYS 13 OK 14 99 - 15 - 1440/3.0=2, 519/3.0=1 HB2 LYS 33 - HD2 LYS 13 OK 14 99 - 15 - 1429/3.0=2, 519/3.0=1 HB3 LEU 14 - HD3 LYS 13 OK 12 87 - 14 - 3.8/6194=2, 520/3.0=2...(4) HB3 LEU 14 - HD2 LYS 13 OK 12 85 - 14 - 3.8/6194=2, 520/3.0=2...(4) HB3 LYS 33 - HD2 LYS 12 lone 6 94 - 6 - HB3 LYS 33 - HD3 LYS 12 lone 6 94 - 6 - HB3 LYS 33 - HD3 LYS 24 lone 6 86 - 7 - HB2 LYS 33 - HD3 LYS 24 lone 6 85 - 7 - HB2 LYS 33 - HD2 LYS 12 lone 6 94 - 6 - HB2 LYS 33 - HD3 LYS 12 lone 6 94 - 6 - HB3 LYS 33 - HD2 LYS 24 lone 6 80 - 7 - HB2 LYS 33 - HD2 LYS 24 lone 5 79 - 7 - HB3 LYS 47 - HD3 LYS 12 lone 5 83 - 6 - HB3 LYS 47 - HD2 LYS 12 lone 5 83 - 6 - HB3 LEU 14 - HD2 LYS 12 lone 5 78 - 6 - 3.8/6194=1 HB3 LEU 14 - HD3 LYS 12 lone 5 78 - 6 - 3.8/6194=1 HB3 LEU 14 - HD3 LYS 24 lone 5 69 - 7 - 8420/4.9=1 HB3 LEU 14 - HD2 LYS 24 lone 4 63 - 7 - 8420/4.9=1 HB2 LYS 94 - HD3 LYS 12 lone 4 87 - 5 - HB2 LYS 94 - HD2 LYS 12 lone 4 87 - 5 - HG LEU 42 - HD3 LYS 13 lone 3 65 - 4 - HG LEU 42 - HD2 LYS 13 lone 3 64 - 4 - HG LEU 42 - HD3 LYS 12 lone 2 57 - 4 - HG LEU 42 - HD2 LYS 12 lone 2 57 - 4 - HB2 LYS 94 - HD3 LYS 13 lone 2 96 - 2 - HB2 LYS 94 - HD2 LYS 13 lone 2 94 - 2 - HB2 LYS 94 - HD3 LYS 24 lone 2 79 - 2 - HB2 LYS 94 - HD2 LYS 24 lone 2 73 - 2 - HB3 ARG 19 - HD2 LYS 12 lone 1 68 - 2 - HB3 ARG 19 - HD3 LYS 12 lone 1 68 - 2 - HB ILE 8 - HD3 LYS 13 lone 1 61 - 2 - HB2 GLU 43 - HD3 LYS 13 lone 1 96 - 1 - HB2 GLU 43 - HD2 LYS 13 lone 1 94 - 1 - HB ILE 8 - HD2 LYS 13 lone 1 60 - 2 - HG LEU 42 - HD3 LYS 24 lone 1 50 - 2 - HB2 GLU 43 - HD3 LYS 12 lone 1 87 - 1 - HB2 GLU 43 - HD2 LYS 12 lone 1 87 - 1 - HB3 ARG 19 - HD3 LYS 13 lone 1 77 - 1 - HB3 ARG 19 - HD2 LYS 13 lone 1 75 - 1 - HG LEU 42 - HD2 LYS 24 lone 1 45 - 2 - HB3 ARG 19 - HD3 LYS 24 lone 1 60 - 1 - HB ILE 8 - HD2 LYS 12 lone 1 54 - 1 - HB ILE 8 - HD3 LYS 12 lone 1 54 - 1 - HB3 ARG 19 - HD2 LYS 24 lone 1 55 - 1 - HB2 GLU 43 - HD3 LYS 24 lone 0 79 - 1 - HB2 GLU 43 - HD2 LYS 24 lone 0 73 - 1 - HB ILE 8 - HD3 LYS 24 lone 0 47 - 1 - HB ILE 8 - HD2 LYS 24 lone 0 42 - 1 - Peak 554 from cnoeabs.peaks (1.43, 1.70, 28.93 ppm; 2.96 A): 4 out of 42 assignments used, quality = 1.00: * HG2 LYS 13 + HD3 LYS 13 OK 100 100 - 100 - 3.0=100 HG2 LYS 13 + HD2 LYS 13 OK 99 99 - 100 - 3.0=100 HG2 LYS 12 + HD2 LYS 12 OK 68 68 - 99 - 3.0=98, 423/3.0=7...(41) HG2 LYS 12 + HD3 LYS 12 OK 68 68 - 99 - 3.0=98, 423/3.0=7...(41) HG2 LYS 13 - HD2 LYS 12 OK 37 95 - 39 - 524=5, 524/1.8=3...(10) HG2 LYS 13 - HD3 LYS 12 OK 37 95 - 39 - 524=5, 524/1.8=3...(10) HG2 LYS 12 - HD3 LYS 13 OK 27 77 - 36 - 422=2, 532/3.0=2...(12) HG2 LYS 13 - HD3 LYS 24 OK 27 86 - 31 - 524=3, 524/1.8=3...(7) HG2 LYS 12 - HD2 LYS 13 OK 26 75 - 35 - 422=2, 532/3.0=2...(12) HG2 LYS 13 - HD2 LYS 24 OK 25 80 - 31 - 524=3, 524/1.8=3...(6) HG2 LYS 12 - HD3 LYS 24 OK 17 60 - 28 - 421=2, 420/3.0=2...(8) HG2 LYS 12 - HD2 LYS 24 OK 15 55 - 28 - 422=2, 420/3.0=2...(8) HG3 LYS 39 - HD2 LYS 12 OK 15 81 - 19 - 1716/3.6=2, 1716/3.6=2 HG3 LYS 39 - HD3 LYS 12 OK 15 81 - 19 - 1716/3.6=2, 1716/3.6=2 HG LEU 29 - HD2 LYS 12 OK 12 92 - 13 - 1290/3.0=1, 8675/3.6=1 HG LEU 29 - HD3 LYS 12 OK 12 92 - 13 - 1290/3.0=1, 8675/3.6=1 HG13 ILE 76 - HD3 LYS 13 lone 10 98 - 10 - ~10394=1, 532/3.0=1 HG13 ILE 76 - HD2 LYS 13 lone 10 97 - 10 - ~10394=1, 532/3.0=1 HG12 ILE 7 - HD3 LYS 13 lone 9 98 - 9 - HG12 ILE 7 - HD2 LYS 13 lone 9 97 - 9 - HG12 ILE 7 - HD3 LYS 12 lone 6 91 - 7 - HG12 ILE 7 - HD2 LYS 12 lone 6 91 - 7 - QB ALA 22 - HD2 LYS 12 lone 6 92 - 6 - 8581/3.0=1 QB ALA 22 - HD3 LYS 12 lone 6 92 - 6 - 8581/3.0=1 HG13 ILE 76 - HD2 LYS 12 lone 5 91 - 6 - HG13 ILE 76 - HD3 LYS 12 lone 5 91 - 6 - HG3 LYS 39 - HD3 LYS 13 lone 5 90 - 6 - 1713/6.0=1 HG3 LYS 39 - HD2 LYS 13 lone 5 88 - 6 - 1713/6.0=1 QB ALA 22 - HD3 LYS 24 lone 4 83 - 5 - 8589/6.3=2 QB ALA 22 - HD2 LYS 24 lone 3 77 - 5 - 8589/6.3=2 HG13 ILE 76 - HD3 LYS 24 lone 3 82 - 4 - HG13 ILE 76 - HD2 LYS 24 lone 3 76 - 4 - HG LEU 29 - HD3 LYS 13 lone 3 99 - 3 - HG LEU 29 - HD2 LYS 13 lone 3 98 - 3 - QB ALA 22 - HD3 LYS 13 lone 3 99 - 3 - QB ALA 22 - HD2 LYS 13 lone 3 98 - 3 - HG12 ILE 7 - HD3 LYS 24 lone 2 82 - 2 - HG12 ILE 7 - HD2 LYS 24 lone 1 76 - 2 - HG LEU 29 - HD3 LYS 24 lone 1 83 - 2 - HG LEU 29 - HD2 LYS 24 lone 1 77 - 2 - HG3 LYS 39 - HD3 LYS 24 lone 1 72 - 1 - HG3 LYS 39 - HD2 LYS 24 lone 1 66 - 1 - Peak 555 from cnoeabs.peaks (1.50, 1.70, 28.93 ppm; 2.48 A): 4 out of 72 assignments used, quality = 0.99: * HG3 LYS 13 + HD3 LYS 13 OK 75 100 - 75 - 3.0=59, 1.8/524=7...(15) HG3 LYS 13 + HD2 LYS 13 OK 75 99 - 75 - 3.0=59, 1.8/524=7...(15) HG3 LYS 24 + HD3 LYS 24 OK 56 72 - 78 - 3.0=59, 1101/1.8=6...(17) HG3 LYS 24 + HD2 LYS 24 OK 51 66 - 78 - 3.0=59, 1101/1.8=6...(19) HG3 LYS 13 - HD2 LYS 12 OK 26 95 - 28 - 535=3, 1.8/524=3...(9) HG3 LYS 13 - HD3 LYS 12 OK 26 95 - 28 - 535=3, 1.8/524=3...(9) HG3 LYS 66 - HD3 LYS 12 OK 24 93 - 26 - 2926=2, 2.9/2937=2...(9) HG3 LYS 66 - HD2 LYS 12 OK 24 93 - 26 - 2926=2, 2.9/2937=2...(9) HG2 LYS 66 - HD2 LYS 12 OK 23 91 - 26 - 2926=2, 2.9/2937=2...(9) HG2 LYS 66 - HD3 LYS 12 OK 23 91 - 26 - 2926=2, 2.9/2937=2...(9) HG2 LYS 47 - HD3 LYS 13 OK 19 98 - 20 - 522/3.0=2, 535=2 HG2 LYS 47 - HD2 LYS 13 OK 18 97 - 19 - 522/3.0=2, 535=2, 535/1.8=1 HG3 LYS 24 - HD3 LYS 13 OK 18 90 - 20 - 1102=2, 522/3.0=1, 1102/1.8=1 HG3 LYS 24 - HD3 LYS 12 OK 18 81 - 22 - 1102=2, 1102/1.8=2...(4) HG3 LYS 24 - HD2 LYS 12 OK 18 81 - 22 - 1102=2, 1102/1.8=2...(4) HG3 LYS 13 - HD3 LYS 24 OK 18 86 - 21 - 535=2, 1.8/524=2, 535/1.8=1 HG3 LYS 24 - HD2 LYS 13 OK 18 88 - 20 - 1102=2, 522/3.0=1, 1102/1.8=1 HG3 LYS 13 - HD2 LYS 24 OK 17 80 - 21 - 535=2, 1.8/524=2, 535/1.8=1 HG2 LYS 73 - HD3 LYS 13 OK 14 99 - 14 - 535=1, 522/3.0=1 HG2 LYS 73 - HD2 LYS 13 OK 14 98 - 14 - 535=1, 522/3.0=1 HG2 LYS 47 - HD3 LYS 24 OK 14 82 - 17 - 535=1 HG2 LYS 73 - HD3 LYS 24 OK 13 83 - 16 - 535=1, 3265/3.0=1 HG2 LYS 47 - HD2 LYS 24 OK 13 76 - 17 - 535=1 HG2 LYS 73 - HD2 LYS 24 OK 12 77 - 16 - 535=1, 3265/3.0=1 HG3 LYS 66 - HD3 LYS 13 OK 11 99 - 11 - HG3 LYS 66 - HD2 LYS 13 OK 11 98 - 11 - HG2 LYS 66 - HD3 LYS 13 OK 11 98 - 11 - HG2 LYS 66 - HD2 LYS 13 OK 10 97 - 11 - HG3 LYS 33 - HD3 LYS 13 OK 10 97 - 11 - 522/3.0=2 HG3 LYS 33 - HD2 LYS 13 OK 10 96 - 11 - 522/3.0=2 HG2 LYS 73 - HD2 LYS 12 lone 9 92 - 10 - HG2 LYS 73 - HD3 LYS 12 lone 9 92 - 10 - HG3 LYS 66 - HD3 LYS 24 poor 9 85 - 11 - HG2 LYS 66 - HD3 LYS 24 poor 9 82 - 11 - HG3 LYS 66 - HD2 LYS 24 poor 8 78 - 11 - HG2 LYS 66 - HD2 LYS 24 poor 8 76 - 11 - HG LEU 2 - HD3 LYS 13 lone 5 65 - 8 - HG LEU 2 - HD2 LYS 13 lone 5 64 - 8 - HG3 LYS 33 - HD3 LYS 24 lone 5 81 - 6 - HG3 LYS 33 - HD2 LYS 24 lone 4 74 - 6 - HG3 LYS 33 - HD3 LYS 12 lone 4 89 - 4 - HG3 LYS 33 - HD2 LYS 12 lone 4 89 - 4 - HG2 LYS 47 - HD3 LYS 12 lone 4 91 - 4 - HG2 LYS 47 - HD2 LYS 12 lone 4 91 - 4 - HG LEU 2 - HD3 LYS 24 lone 4 50 - 7 - HG LEU 2 - HD2 LYS 24 lone 3 45 - 7 - HG LEU 57 - HD3 LYS 13 lone 3 99 - 3 - HG LEU 57 - HD2 LYS 13 lone 3 98 - 3 - HG LEU 2 - HD3 LYS 12 lone 3 57 - 5 - HG LEU 2 - HD2 LYS 12 lone 3 57 - 5 - HB2 ARG 91 - HD3 LYS 13 lone 2 90 - 3 - HB2 ARG 91 - HD3 LYS 12 lone 2 81 - 3 - HB2 ARG 91 - HD2 LYS 12 lone 2 81 - 3 - HB2 ARG 91 - HD2 LYS 13 lone 2 88 - 2 - HB3 LEU 64 - HD3 LYS 13 lone 2 97 - 2 - HB3 LEU 64 - HD2 LYS 13 lone 1 96 - 2 - HB2 ARG 91 - HD3 LYS 24 lone 1 72 - 2 - HB2 ARG 91 - HD2 LYS 24 lone 1 66 - 2 - HB3 LEU 64 - HD3 LYS 24 lone 1 81 - 1 - HB3 LEU 64 - HD2 LYS 24 lone 1 74 - 1 - HG LEU 57 - HD3 LYS 24 lone 1 85 - 1 - HB3 LEU 64 - HD3 LYS 12 lone 1 89 - 1 - HB3 LEU 64 - HD2 LYS 12 lone 1 89 - 1 - HG LEU 57 - HD2 LYS 24 lone 1 78 - 1 - HG LEU 64 - HD3 LYS 13 lone 1 70 - 1 - HG LEU 64 - HD2 LYS 13 lone 1 68 - 1 - HG LEU 57 - HD2 LYS 12 lone 1 93 - 1 - HG LEU 57 - HD3 LYS 12 lone 1 93 - 1 - HG LEU 64 - HD3 LYS 24 lone 0 54 - 1 - HG LEU 64 - HD3 LYS 12 lone 0 61 - 1 - HG LEU 64 - HD2 LYS 12 lone 0 61 - 1 - HG LEU 64 - HD2 LYS 24 lone 0 49 - 1 - Peak 556 from cnoeabs.peaks (1.70, 1.70, 28.93 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 99 99 - 100 HD2 LYS 12 + HD2 LYS 12 OK 95 95 - 100 HD3 LYS 12 + HD3 LYS 12 OK 95 95 - 100 HD3 LYS 24 + HD3 LYS 24 OK 85 85 - 100 HD2 LYS 24 + HD2 LYS 24 OK 77 77 - 100 Reference assignment not found: HD2 LYS 13 - HD3 LYS 13 Peak 557 from cnoeabs.peaks (1.70, 1.70, 28.93 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 99 99 - 100 HD2 LYS 12 + HD2 LYS 12 OK 94 94 - 100 HD3 LYS 12 + HD3 LYS 12 OK 94 94 - 100 HD3 LYS 24 + HD3 LYS 24 OK 82 82 - 100 HD2 LYS 24 + HD2 LYS 24 OK 74 74 - 100 Peak 558 from cnoeabs.peaks (2.96, 1.70, 28.93 ppm; 2.84 A): 10 out of 66 assignments used, quality = 1.00: * HE2 LYS 13 + HD3 LYS 13 OK 94 100 - 94 - 2.9=90, 3.8/524=4...(21) HE3 LYS 13 + HD3 LYS 13 OK 94 100 - 94 - 2.9=90, 3.8/524=4...(22) HE2 LYS 13 + HD2 LYS 13 OK 93 99 - 94 - 2.9=90, 3.8/524=4...(21) HE3 LYS 13 + HD2 LYS 13 OK 93 99 - 94 - 2.9=90, 3.8/524=4...(22) HE3 LYS 12 + HD2 LYS 12 OK 85 92 - 93 - 3.0=86, 1.8/466=9...(16) HE3 LYS 12 + HD3 LYS 12 OK 85 92 - 93 - 3.0=86, 1.8/466=9...(16) HE3 LYS 24 + HD3 LYS 24 OK 80 86 - 93 - 3.0=87, 1103/3.0=4...(29) HE2 LYS 24 + HD3 LYS 24 OK 80 86 - 93 - 3.0=87, 1103/3.0=4...(29) HE2 LYS 24 + HD2 LYS 24 OK 74 80 - 93 - 3.0=87, 1103/3.0=4...(29) HE3 LYS 24 + HD2 LYS 24 OK 74 80 - 93 - 3.0=87, 1103/3.0=4...(29) HE2 LYS 13 - HD3 LYS 12 OK 25 95 - 27 - 468/3.0=2, 424/3.0=2...(5) HE2 LYS 13 - HD2 LYS 12 OK 25 95 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 13 - HD3 LYS 12 OK 25 94 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 13 - HD2 LYS 12 OK 25 94 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 12 - HD3 LYS 13 OK 23 99 - 23 - 1.8/466=3, ~463=2...(8) HE3 LYS 12 - HD2 LYS 13 OK 22 98 - 23 - 1.8/466=3, ~463=2...(8) HE2 LYS 24 - HD2 LYS 12 OK 22 94 - 24 - 468/3.0=2, 424/3.0=2...(4) HE2 LYS 24 - HD3 LYS 12 OK 22 94 - 24 - 468/3.0=2, 424/3.0=2...(4) HE3 LYS 24 - HD3 LYS 12 OK 22 94 - 24 - 468/3.0=2, 424/3.0=2...(4) HE3 LYS 24 - HD2 LYS 12 OK 22 94 - 24 - 468/3.0=2, 424/3.0=2...(4) HE3 LYS 24 - HD3 LYS 13 OK 18 100 - 18 - 526/3.0=1 HE2 LYS 24 - HD3 LYS 13 OK 18 100 - 18 - 526/3.0=1 HE3 LYS 24 - HD2 LYS 13 OK 18 99 - 18 - 526/3.0=1 HE2 LYS 24 - HD2 LYS 13 OK 18 99 - 18 - 526/3.0=1 HE3 LYS 12 - HD3 LYS 24 OK 18 83 - 22 - 1.8/466=2, ~464=2...(7) HE3 LYS 12 - HD2 LYS 24 OK 17 77 - 22 - 1.8/466=2, ~464=2...(7) HE2 LYS 13 - HD3 LYS 24 OK 16 86 - 18 - 1104/3.0=1, 3.8/524=1 HE3 LYS 13 - HD3 LYS 24 OK 16 86 - 18 - 1103/3.0=1, 3.8/524=1 HE2 LYS 13 - HD2 LYS 24 OK 15 80 - 18 - 1103/3.0=1, 3.8/524=1 HE3 LYS 13 - HD2 LYS 24 OK 14 80 - 18 - 1104/3.0=1, 3.8/524=1 HE2 LYS 47 - HD3 LYS 13 poor 9 81 - 12 - HE3 LYS 47 - HD3 LYS 13 poor 9 81 - 12 - HE2 LYS 47 - HD2 LYS 13 poor 9 79 - 11 - HE3 LYS 47 - HD2 LYS 13 poor 9 79 - 11 - HE2 LYS 73 - HD3 LYS 24 poor 8 77 - 11 - 1103/3.0=1 HE2 LYS 73 - HD2 LYS 24 poor 8 71 - 11 - 1103/3.0=1 HE3 LYS 73 - HD3 LYS 24 poor 7 63 - 11 - 3320/3.0=1 HE3 LYS 73 - HD2 LYS 24 poor 6 58 - 11 - 3320/3.0=1 HE3 LYS 47 - HD3 LYS 24 poor 6 63 - 10 - HE2 LYS 47 - HD3 LYS 24 poor 6 63 - 10 - HE2 LYS 73 - HD3 LYS 13 lone 6 94 - 7 - HE2 LYS 73 - HD2 LYS 13 lone 6 92 - 7 - HE3 LYS 73 - HD3 LYS 13 lone 6 81 - 7 - HE3 LYS 47 - HD2 LYS 24 poor 6 58 - 10 - HE2 LYS 47 - HD2 LYS 24 poor 6 58 - 10 - HE3 LYS 73 - HD2 LYS 13 lone 6 79 - 7 - HE2 LYS 73 - HD2 LYS 12 lone 5 85 - 5 - HE2 LYS 73 - HD3 LYS 12 lone 5 85 - 5 - HE3 LYS 73 - HD2 LYS 12 lone 4 72 - 5 - HE3 LYS 73 - HD3 LYS 12 lone 4 72 - 5 - HE2 LYS 47 - HD2 LYS 12 lone 3 72 - 4 - HE3 LYS 47 - HD3 LYS 12 lone 3 72 - 4 - HE3 LYS 47 - HD2 LYS 12 lone 3 72 - 4 - HE2 LYS 47 - HD3 LYS 12 lone 3 72 - 4 - HB2 ASN 51 - HD3 LYS 13 lone 2 81 - 2 - HB2 ASN 51 - HD2 LYS 13 lone 2 79 - 2 - HB3 PHE 45 - HD3 LYS 12 lone 1 89 - 1 - HB3 PHE 45 - HD2 LYS 12 lone 1 89 - 1 - HB3 PHE 45 - HD3 LYS 13 lone 1 97 - 1 - HB3 PHE 45 - HD2 LYS 13 lone 1 96 - 1 - HB3 PHE 45 - HD3 LYS 24 lone 1 81 - 1 - HB3 PHE 45 - HD2 LYS 24 lone 1 74 - 1 - HB2 ASN 51 - HD3 LYS 24 lone 1 63 - 1 - HB2 ASN 51 - HD2 LYS 24 lone 1 58 - 1 - HB2 ASN 51 - HD3 LYS 12 lone 1 72 - 1 - HB2 ASN 51 - HD2 LYS 12 lone 1 72 - 1 - Peak 559 from cnoeabs.peaks (2.96, 1.70, 28.93 ppm; 2.84 A): 10 out of 72 assignments used, quality = 1.00: * HE3 LYS 13 + HD3 LYS 13 OK 94 100 - 94 - 2.9=90, 3.8/524=4...(22) HE2 LYS 13 + HD3 LYS 13 OK 94 100 - 94 - 2.9=90, 3.8/524=4...(21) HE3 LYS 13 + HD2 LYS 13 OK 93 99 - 94 - 2.9=90, 3.8/524=4...(22) HE2 LYS 13 + HD2 LYS 13 OK 93 99 - 94 - 2.9=90, 3.8/524=4...(21) HE3 LYS 12 + HD2 LYS 12 OK 83 89 - 93 - 3.0=86, 1.8/465=9...(16) HE3 LYS 12 + HD3 LYS 12 OK 83 89 - 93 - 3.0=86, 1.8/465=9...(16) HE3 LYS 24 + HD3 LYS 24 OK 78 85 - 93 - 3.0=87, 3.7/1102=4...(29) HE2 LYS 24 + HD3 LYS 24 OK 78 85 - 93 - 3.0=87, 3.7/1102=4...(29) HE3 LYS 24 + HD2 LYS 24 OK 72 78 - 93 - 3.0=87, 3.7/1102=4...(29) HE2 LYS 24 + HD2 LYS 24 OK 72 78 - 93 - 3.0=87, 3.7/1102=4...(29) HE3 LYS 13 - HD2 LYS 12 OK 25 95 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 13 - HD3 LYS 12 OK 25 95 - 27 - 468/3.0=2, 424/3.0=2...(5) HE2 LYS 13 - HD3 LYS 12 OK 25 94 - 27 - 468/3.0=2, 424/3.0=2...(5) HE2 LYS 13 - HD2 LYS 12 OK 25 94 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 12 - HD3 LYS 13 OK 22 97 - 23 - 1.8/466=3, ~463=2...(8) HE3 LYS 12 - HD2 LYS 13 OK 22 96 - 23 - 1.8/465=3, ~463=2...(8) HE2 LYS 24 - HD3 LYS 12 OK 21 93 - 23 - 468/3.0=2, 424/3.0=2...(4) HE2 LYS 24 - HD2 LYS 12 OK 21 93 - 23 - 468/3.0=2, 424/3.0=2...(4) HE3 LYS 24 - HD3 LYS 12 OK 21 93 - 23 - 468/3.0=2, 424/3.0=2...(4) HE3 LYS 24 - HD2 LYS 12 OK 21 93 - 23 - 468/3.0=2, 424/3.0=2...(4) HE3 LYS 24 - HD3 LYS 13 OK 18 99 - 18 - 526/3.0=1 HE2 LYS 24 - HD3 LYS 13 OK 18 99 - 18 - 526/3.0=1 HE2 LYS 24 - HD2 LYS 13 OK 18 98 - 18 - 526/3.0=1 HE3 LYS 24 - HD2 LYS 13 OK 18 98 - 18 - 526/3.0=1 HE3 LYS 12 - HD3 LYS 24 OK 17 81 - 22 - 1.8/466=2, ~464=2...(7) HE3 LYS 12 - HD2 LYS 24 OK 16 74 - 22 - 1.8/465=2, ~464=2...(7) HE3 LYS 13 - HD3 LYS 24 OK 16 86 - 18 - 1104/3.0=1, 3.8/524=1 HE2 LYS 13 - HD3 LYS 24 OK 16 86 - 18 - 1103/3.0=1, 3.8/524=1 HE3 LYS 13 - HD2 LYS 24 OK 14 80 - 18 - 1103/3.0=1, 3.8/524=1 HE2 LYS 13 - HD2 LYS 24 OK 14 80 - 18 - 1103/3.0=1, 3.8/524=1 HE2 LYS 73 - HD3 LYS 24 poor 9 81 - 11 - 1103/3.0=1, 3320/3.0=1 HE2 LYS 47 - HD3 LYS 13 poor 8 73 - 11 - HE3 LYS 47 - HD3 LYS 13 poor 8 73 - 11 - HE2 LYS 73 - HD2 LYS 24 poor 8 74 - 11 - 1103/3.0=1, 3320/3.0=1 HE3 LYS 73 - HD3 LYS 24 poor 8 69 - 12 - 3320/3.0=1 HE2 LYS 47 - HD2 LYS 13 poor 8 71 - 11 - HE3 LYS 47 - HD2 LYS 13 poor 8 71 - 11 - HE3 LYS 73 - HD2 LYS 24 poor 7 63 - 12 - 3320/3.0=1 HE2 LYS 73 - HD3 LYS 13 lone 6 97 - 7 - HE2 LYS 73 - HD2 LYS 13 lone 6 96 - 7 - HE3 LYS 73 - HD3 LYS 13 lone 6 87 - 7 - HE3 LYS 73 - HD2 LYS 13 lone 6 85 - 7 - HE2 LYS 47 - HD3 LYS 24 lone 6 57 - 10 - HE3 LYS 47 - HD3 LYS 24 lone 6 57 - 10 - HE2 LYS 47 - HD2 LYS 24 lone 5 52 - 10 - HE3 LYS 47 - HD2 LYS 24 lone 5 52 - 10 - HE2 LYS 73 - HD3 LYS 12 lone 5 89 - 5 - HE2 LYS 73 - HD2 LYS 12 lone 5 89 - 5 - HE3 LYS 73 - HD2 LYS 12 lone 4 78 - 5 - HE3 LYS 73 - HD3 LYS 12 lone 4 78 - 5 - HE3 LYS 47 - HD2 LYS 12 lone 3 65 - 4 - HE2 LYS 47 - HD3 LYS 12 lone 3 65 - 4 - HE3 LYS 47 - HD3 LYS 12 lone 3 65 - 4 - HE2 LYS 47 - HD2 LYS 12 lone 3 65 - 4 - HB2 ASN 51 - HD3 LYS 13 lone 2 87 - 2 - HB2 ASN 51 - HD2 LYS 13 lone 2 85 - 2 - HG2 MET 21 - HD3 LYS 12 lone 1 57 - 2 - HG2 MET 21 - HD2 LYS 12 lone 1 57 - 2 - HB3 PHE 45 - HD3 LYS 12 lone 1 85 - 1 - HB3 PHE 45 - HD2 LYS 12 lone 1 85 - 1 - HB3 PHE 45 - HD3 LYS 13 lone 1 94 - 1 - HB3 PHE 45 - HD2 LYS 13 lone 1 92 - 1 - HG2 MET 21 - HD3 LYS 24 lone 1 50 - 2 - HG2 MET 21 - HD2 LYS 24 lone 1 45 - 2 - HB2 ASN 51 - HD3 LYS 24 lone 1 69 - 1 - HG2 MET 21 - HD3 LYS 13 lone 1 65 - 1 - HG2 MET 21 - HD2 LYS 13 lone 1 64 - 1 - HB3 PHE 45 - HD3 LYS 24 lone 1 77 - 1 - HB2 ASN 51 - HD2 LYS 24 lone 1 63 - 1 - HB3 PHE 45 - HD2 LYS 24 lone 1 71 - 1 - HB2 ASN 51 - HD3 LYS 12 lone 1 78 - 1 - HB2 ASN 51 - HD2 LYS 12 lone 1 78 - 1 - Peak 560 from cnoeabs.peaks (7.55, 1.70, 28.93 ppm; 4.40 A): 4 out of 18 assignments used, quality = 0.97: * H LEU 14 + HD3 LYS 13 OK 68 100 - 68 - 6192/3.0=14, 527/3.0=13...(12) H LEU 14 + HD2 LYS 13 OK 68 99 - 68 - 6192/3.0=14, 527/3.0=13...(12) H LEU 14 + HD2 LYS 12 OK 43 95 - 46 - 6185/6.2=10, 12269/3.0=6...(13) H LEU 14 + HD3 LYS 12 OK 43 95 - 46 - 6185/6.2=10, 12269/3.0=6...(13) H ILE 76 - HD3 LYS 13 OK 34 96 - 35 - 527/3.0=9, 6182/6.0=6...(8) H ILE 76 - HD2 LYS 13 OK 33 94 - 35 - 527/3.0=9, 6182/6.0=6...(8) H LEU 14 - HD3 LYS 24 OK 21 86 - 24 - 6192/3.0=3, 3.6/488=2...(9) H LEU 14 - HD2 LYS 24 OK 19 80 - 24 - 6192/3.0=3, 3.6/488=2...(9) H ILE 76 - HD2 LYS 12 OK 13 87 - 15 - 6161/6.2=3, 9649/5.2=3 H ILE 76 - HD3 LYS 12 OK 13 87 - 15 - 6161/6.2=3, 9649/5.2=3 H ILE 76 - HD3 LYS 24 OK 12 79 - 14 - 9644/3.6=3, 9644/3.6=3, ~8595=1 H ILE 76 - HD2 LYS 24 OK 11 73 - 14 - 9644/3.6=3, 9644/3.6=3, ~8595=1 H GLU 88 - HD3 LYS 13 poor 9 61 - 15 - 527/3.0=2, ~3870=2...(8) H GLU 88 - HD3 LYS 24 poor 9 47 - 20 - 3.6/9909=2, 1095/3.0=2...(9) H GLU 88 - HD2 LYS 13 poor 9 60 - 15 - 527/3.0=2, ~3870=2...(7) H GLU 88 - HD2 LYS 24 poor 8 42 - 19 - 1095/3.0=2, 3.6/9909=2...(10) H GLU 88 - HD2 LYS 12 lone 4 54 - 7 - 3.6/9909=1 H GLU 88 - HD3 LYS 12 lone 4 54 - 7 - 3.6/9909=1 Peak 561 from cnoeabs.peaks (8.07, 2.96, 41.80 ppm; 6.50 A): 8 out of 36 assignments used, quality = 1.00: * H LYS 13 + HE2 LYS 13 OK 96 100 - 96 - 7.3=71, 517/3.8=23...(24) H LYS 13 + HE3 LYS 13 OK 96 99 - 96 - 7.3=71, 517/3.8=23...(24) H LYS 13 + HE3 LYS 12 OK 81 92 - 88 - 6163/7.3=26, 6171/1.8=21...(20) H LYS 13 + HE3 LYS 24 OK 59 99 - 60 - 6168/3.7=6, 3.6/389=5...(25) H LYS 13 + HE2 LYS 24 OK 59 99 - 60 - 6168/3.7=6, 3.6/389=5...(25) H ILE 15 + HE2 LYS 13 OK 59 100 - 59 - 6208/6.0=17, 517/3.8=13...(11) H ILE 15 + HE3 LYS 13 OK 58 99 - 59 - 6208/6.0=17, 517/3.8=13...(10) H ILE 15 + HE3 LYS 12 OK 55 92 - 60 - ~8451=13, 6206/6.3=11...(15) H LYS 39 - HE3 LYS 12 OK 36 84 - 43 - 425/4.0=12, 6605/4.8=8...(9) H GLU 75 - HE2 LYS 13 OK 28 100 - 28 - 9618/6.0=8, 517/3.8=6...(9) H GLU 75 - HE3 LYS 13 OK 27 99 - 28 - 9618/6.0=8, 517/3.8=6...(9) H LYS 13 - HE2 LYS 73 OK 23 65 - 35 - 6168/4.0=5, 6177/4.0=4...(16) H GLU 17 - HE2 LYS 13 OK 22 87 - 26 - 5.1/11024=7, 10427/6.0=5...(7) H GLU 17 - HE3 LYS 13 OK 22 85 - 26 - 5.1/11024=7, 10427/6.0=5...(8) H ILE 15 - HE3 LYS 24 OK 18 99 - 18 - 4.6/6195=3, 6211/3.7=1...(4) H ILE 15 - HE2 LYS 24 OK 18 99 - 18 - 4.6/6195=3, 6211/3.7=1...(4) H GLU 75 - HE3 LYS 12 OK 16 92 - 18 - 425/4.0=3, 390/6.3=2...(4) H GLU 75 - HE2 LYS 73 OK 16 65 - 25 - 9618/6.7=6, 7236/4.9=6...(5) H GLU 75 - HE3 LYS 24 OK 16 99 - 16 - 7236/4.9=3, 7236/4.9=3...(5) H GLU 75 - HE2 LYS 24 OK 16 99 - 16 - 7236/4.9=3, 7236/4.9=3...(5) H LYS 39 - HE2 LYS 13 OK 16 96 - 16 - 517/3.8=3, 481/6.0=2...(4) H LYS 39 - HE3 LYS 13 OK 15 94 - 16 - 517/3.8=3, 481/6.0=2...(4) H GLU 17 - HE3 LYS 12 OK 14 75 - 18 - 5.1/11024=4, 425/4.0=2...(6) H GLU 17 - HE2 LYS 73 poor 9 50 - 19 - 5.1/11024=5, 5.1/9045=2...(8) H GLU 17 - HE3 LYS 24 lone 8 85 - 9 - 5.1/11024=3, 5.1/9045=1 H GLU 17 - HE2 LYS 24 lone 8 85 - 9 - 5.1/11024=3, 5.1/9045=1 H ILE 15 - HE2 LYS 73 poor 7 65 - 11 - 6208/6.7=2, 4.6/6196=1...(4) H LYS 39 - HE3 LYS 24 lone 7 94 - 7 - H LYS 39 - HE2 LYS 24 lone 7 94 - 7 - H LYS 39 - HE2 LYS 73 poor 6 58 - 10 - 6613/7.0=3, 436/4.0=1 H SER 102 - HE3 LYS 12 lone 5 62 - 7 - 10112/4.0=1 H SER 102 - HE2 LYS 13 lone 4 73 - 6 - H SER 102 - HE3 LYS 13 lone 4 71 - 6 - H SER 102 - HE3 LYS 24 lone 3 71 - 5 - 10112/3.7=1 H SER 102 - HE2 LYS 24 lone 3 71 - 5 - 10112/3.7=1 H SER 102 - HE2 LYS 73 lone 1 41 - 4 - Peak 562 from cnoeabs.peaks (4.15, 2.96, 41.80 ppm; 4.79 A): 5 out of 42 assignments used, quality = 1.00: * HA LYS 13 + HE2 LYS 13 OK 91 100 - 91 - 6.0=51, 518/3.8=18...(39) HA LYS 13 + HE3 LYS 13 OK 90 99 - 91 - 6.0=51, 518/3.8=18...(39) HA LYS 13 + HE3 LYS 12 OK 54 92 - 59 - ~6171=9, 485/4.0=6...(26) HA LYS 13 + HE2 LYS 24 OK 51 99 - 51 - 489=5, 489/1.8=4...(26) HA LYS 13 + HE3 LYS 24 OK 51 99 - 51 - 489=5, 489/1.8=4...(26) HA LYS 47 - HE2 LYS 13 OK 45 90 - 50 - 518/3.8=7, 2126/3.8=5...(24) HA LYS 47 - HE3 LYS 13 OK 44 88 - 50 - 518/3.8=7, 2126/3.8=5...(28) HA LYS 47 - HE2 LYS 24 OK 43 88 - 49 - 2130/1.8=3, 2124/4.9=3...(32) HA LYS 47 - HE3 LYS 24 OK 43 88 - 49 - 2131/1.8=3, 2124/4.9=3...(32) HA LYS 73 - HE2 LYS 73 OK 33 38 - 87 - 6.7=37, 3231/4.0=9...(31) HA LYS 73 - HE3 LYS 24 OK 22 68 - 34 - 3232/3.7=3, 3231/3.7=2...(13) HA LYS 73 - HE2 LYS 24 OK 22 68 - 34 - 3232/3.7=3, 3231/3.7=2...(13) HA LYS 73 - HE2 LYS 13 OK 22 70 - 32 - 518/3.8=3, 3.0/7211=2...(11) HA LYS 73 - HE3 LYS 13 OK 22 68 - 32 - 518/3.8=3, 3.0/7211=2...(11) HA GLN 72 - HE2 LYS 13 OK 15 100 - 15 - 518/3.8=3, 3.6/7211=2...(6) HA GLN 72 - HE3 LYS 13 OK 15 99 - 15 - 518/3.8=3, 3.6/7211=2...(6) HA MET 1 - HE2 LYS 73 OK 14 64 - 21 - 8005/1.8=5, 8008/4.0=3...(7) HA LYS 13 - HE2 LYS 73 OK 14 65 - 21 - 486/4.0=2, 490=2...(8) HA GLN 72 - HE2 LYS 73 OK 12 65 - 19 - 3190/7.0=9, 486/4.0=2...(5) HA LYS 47 - HE2 LYS 73 OK 12 53 - 23 - 2126/4.0=3, 2128/3.0=2...(5) HA MET 1 - HE2 LYS 24 OK 12 99 - 11 - 8008/3.7=2, 8007/3.0=2...(5) HA MET 1 - HE3 LYS 24 OK 12 99 - 11 - 8008/3.7=2, 8007/3.0=2...(5) HA MET 1 - HE2 LYS 13 OK 11 100 - 11 - 8008/3.8=2, 518/3.8=2...(4) HA MET 1 - HE3 LYS 13 OK 11 99 - 11 - 8008/3.8=2, 518/3.8=2...(4) HA GLU 23 - HE2 LYS 24 lone 9 94 - 10 - 6377/7.4=5, 2135/4.9=1 HA GLU 23 - HE3 LYS 24 lone 9 94 - 10 - 6377/7.4=5, 2135/4.9=1 HA GLU 23 - HE2 LYS 13 lone 7 96 - 8 - 3.6/1139=2, 518/3.8=1 HA GLU 23 - HE3 LYS 13 lone 7 94 - 8 - 3.6/6390=2, 518/3.8=1 HA GLN 72 - HE2 LYS 24 lone 7 99 - 7 - 3.6/7211=2 HA GLN 72 - HE3 LYS 24 lone 7 99 - 7 - 3.6/7211=2 HA LYS 47 - HE3 LYS 12 lone 7 78 - 9 - HA GLN 72 - HE3 LYS 12 lone 6 92 - 6 - HA LYS 73 - HE3 LYS 12 lone 6 58 - 9 - 3232/4.0=1 HB2 SER 59 - HE2 LYS 73 lone 6 64 - 9 - ~9580=3 HB2 SER 59 - HE2 LYS 13 lone 5 99 - 5 - HB2 SER 59 - HE3 LYS 13 lone 5 98 - 5 - HA GLU 23 - HE3 LYS 12 lone 4 84 - 4 - 3.6/6389=1 HA MET 1 - HE3 LYS 12 lone 3 91 - 4 - HB2 SER 59 - HE3 LYS 24 lone 3 98 - 3 - HB2 SER 59 - HE2 LYS 24 lone 3 98 - 3 - HA GLU 23 - HE2 LYS 73 lone 2 58 - 4 - 3.6/6390=1 HB2 SER 59 - HE3 LYS 12 lone 2 90 - 2 - Peak 563 from cnoeabs.peaks (1.92, 2.96, 41.80 ppm; 3.41 A): 4 out of 60 assignments used, quality = 0.99: * HB2 LYS 13 + HE2 LYS 13 OK 73 100 - 73 - 5.0=31, 3.0/576=4...(49) HB3 LYS 13 + HE2 LYS 13 OK 73 100 - 73 - 5.0=31, 3.0/576=4...(49) HB2 LYS 13 + HE3 LYS 13 OK 72 99 - 73 - 5.0=31, 3.0/576=4...(49) HB3 LYS 13 + HE3 LYS 13 OK 72 99 - 73 - 5.0=31, 3.0/576=4...(49) HB2 LYS 13 - HE2 LYS 24 OK 35 99 - 36 - 3.0/526=2, 3.0/489=2...(13) HB2 LYS 13 - HE3 LYS 24 OK 35 99 - 36 - 3.0/526=2, 3.0/489=2...(13) HB3 LYS 13 - HE2 LYS 24 OK 35 99 - 36 - 3.0/526=2, 3.0/489=2...(13) HB3 LYS 13 - HE3 LYS 24 OK 35 99 - 36 - 3.0/526=2, 3.0/489=2...(13) HB3 LYS 47 - HE2 LYS 24 OK 33 94 - 35 - 2154/1.8=2, 3.0/2176=2...(17) HB3 LYS 47 - HE3 LYS 24 OK 33 94 - 35 - 2154/1.8=2, 3.0/2176=2...(17) HB3 LYS 47 - HE2 LYS 13 OK 32 96 - 33 - 519/3.8=2, 2150/3.8=2...(8) HB3 LYS 47 - HE3 LYS 13 OK 31 94 - 33 - 519/3.8=2, 2150/3.8=2...(8) HB2 LYS 13 - HE3 LYS 12 OK 28 92 - 31 - ~463=2, 3.0/525=2...(14) HB3 LYS 13 - HE3 LYS 12 OK 28 91 - 31 - ~463=2, 3.0/525=2...(14) HB3 LYS 47 - HE2 LYS 73 OK 11 58 - 19 - 2150/4.0=2, 4192/4.0=1...(4) HB3 LYS 33 - HE2 LYS 13 lone 10 100 - 10 - 1440/3.8=2, 519/3.8=2 HB2 LYS 33 - HE2 LYS 13 lone 10 100 - 10 - 1429/3.8=2, 519/3.8=2 HB3 LYS 33 - HE3 LYS 13 lone 9 99 - 10 - 1440/3.8=2, 519/3.8=2 HB2 LYS 33 - HE3 LYS 13 lone 9 99 - 10 - 1429/3.8=2, 519/3.8=2 HB3 LEU 14 - HE3 LYS 13 poor 9 79 - 12 - 3.8/6196=3, 520/3.8=2 HB3 LEU 14 - HE2 LYS 13 poor 9 81 - 12 - 3.8/6196=3, 520/3.8=2 HB2 LYS 13 - HE2 LYS 73 poor 9 65 - 13 - HB2 LYS 33 - HE3 LYS 12 lone 9 92 - 9 - HB3 LYS 33 - HE3 LYS 12 lone 9 92 - 9 - HB3 LYS 13 - HE2 LYS 73 poor 9 65 - 13 - HB2 LYS 33 - HE3 LYS 24 lone 5 99 - 5 - HB2 LYS 33 - HE2 LYS 24 lone 5 99 - 5 - HB3 LYS 33 - HE2 LYS 24 lone 5 99 - 5 - HB3 LYS 33 - HE3 LYS 24 lone 5 99 - 5 - HB3 LEU 14 - HE2 LYS 24 lone 5 79 - 6 - 8420/6.2=2, 3.8/6195=1 HB3 LEU 14 - HE3 LYS 24 lone 5 79 - 6 - 8420/6.2=2, 3.8/6195=1 HB3 LEU 14 - HE3 LYS 12 lone 4 69 - 7 - 3.8/6195=2 HB3 LYS 47 - HE3 LYS 12 lone 4 84 - 5 - HB2 LYS 94 - HE3 LYS 12 lone 3 88 - 3 - HB2 LYS 94 - HE2 LYS 13 lone 3 98 - 3 - HB2 LYS 94 - HE3 LYS 13 lone 3 97 - 3 - HB2 LYS 94 - HE3 LYS 24 lone 2 97 - 2 - HB2 LYS 94 - HE2 LYS 24 lone 2 97 - 2 - HB3 LYS 20 - HE2 LYS 73 lone 2 36 - 4 - HB2 LYS 94 - HE2 LYS 73 lone 1 61 - 2 - HB2 GLU 43 - HE2 LYS 13 lone 1 92 - 1 - HB2 GLU 43 - HE3 LYS 13 lone 1 90 - 1 - HB3 ARG 19 - HE2 LYS 13 lone 1 84 - 1 - HB3 ARG 19 - HE3 LYS 13 lone 1 82 - 1 - HB3 ARG 19 - HE2 LYS 24 lone 1 82 - 1 - HB3 ARG 19 - HE3 LYS 24 lone 1 82 - 1 - HB3 ARG 19 - HE3 LYS 12 lone 1 72 - 1 - HB2 GLU 43 - HE3 LYS 24 lone 1 90 - 1 - HB2 GLU 43 - HE2 LYS 24 lone 1 90 - 1 - HB2 LYS 33 - HE2 LYS 73 lone 1 65 - 1 - HB3 LYS 33 - HE2 LYS 73 lone 1 65 - 1 - HB3 LEU 14 - HE2 LYS 73 lone 1 46 - 1 - HB2 GLU 43 - HE3 LYS 12 lone 1 80 - 1 - HB3 LYS 20 - HE2 LYS 13 lone 1 65 - 1 - HB3 LYS 20 - HE3 LYS 13 lone 1 64 - 1 - HB3 LYS 20 - HE2 LYS 24 lone 1 64 - 1 - HB3 LYS 20 - HE3 LYS 24 lone 1 64 - 1 - HB3 ARG 19 - HE2 LYS 73 lone 0 48 - 1 - HB3 LYS 20 - HE3 LYS 12 lone 0 55 - 1 - HB2 GLU 43 - HE2 LYS 73 lone 0 55 - 1 - Peak 564 from cnoeabs.peaks (1.91, 2.96, 41.80 ppm; 3.41 A): 4 out of 66 assignments used, quality = 0.99: * HB3 LYS 13 + HE2 LYS 13 OK 73 100 - 73 - 5.0=31, 3.0/576=4...(49) HB2 LYS 13 + HE2 LYS 13 OK 73 100 - 73 - 5.0=31, 3.0/576=4...(49) HB3 LYS 13 + HE3 LYS 13 OK 72 99 - 73 - 5.0=31, 3.0/576=4...(49) HB2 LYS 13 + HE3 LYS 13 OK 72 99 - 73 - 5.0=31, 3.0/576=4...(49) HB3 LYS 13 - HE2 LYS 24 OK 35 99 - 36 - 3.0/526=2, 3.0/489=2...(13) HB3 LYS 13 - HE3 LYS 24 OK 35 99 - 36 - 3.0/526=2, 3.0/489=2...(13) HB2 LYS 13 - HE3 LYS 24 OK 35 99 - 36 - 3.0/526=2, 3.0/489=2...(13) HB2 LYS 13 - HE2 LYS 24 OK 35 99 - 36 - 3.0/526=2, 3.0/489=2...(13) HB3 LYS 47 - HE2 LYS 24 OK 31 90 - 35 - 2155/1.8=2, 3.0/2177=2...(17) HB3 LYS 47 - HE3 LYS 24 OK 31 90 - 35 - 2155/1.8=2, 3.0/2177=2...(17) HB3 LYS 47 - HE2 LYS 13 OK 30 92 - 33 - 519/3.8=2, 2150/3.8=2...(8) HB3 LYS 47 - HE3 LYS 13 OK 30 90 - 33 - 519/3.8=2, 2150/3.8=2...(7) HB3 LYS 13 - HE3 LYS 12 OK 28 92 - 31 - ~463=2, 3.0/525=2...(14) HB2 LYS 13 - HE3 LYS 12 OK 28 91 - 31 - ~463=2, 3.0/525=2...(14) HB3 LEU 14 - HE3 LYS 13 OK 10 85 - 12 - 3.8/6196=3, 520/3.8=2 HB3 LEU 14 - HE2 LYS 13 OK 10 87 - 12 - 3.8/6196=3, 520/3.8=2 HB3 LYS 47 - HE2 LYS 73 OK 10 55 - 18 - 2150/4.0=1, 4192/4.0=1 HB3 LYS 33 - HE2 LYS 13 lone 10 100 - 10 - 1440/3.8=2, 519/3.8=2 HB2 LYS 33 - HE2 LYS 13 lone 10 100 - 10 - 1429/3.8=2, 519/3.8=2 HB3 LYS 33 - HE3 LYS 13 lone 9 99 - 10 - 1440/3.8=2, 519/3.8=2 HB2 LYS 33 - HE3 LYS 13 lone 9 99 - 10 - 1429/3.8=2, 519/3.8=2 HB3 LYS 13 - HE2 LYS 73 poor 9 65 - 13 - HB3 LYS 33 - HE3 LYS 12 lone 9 92 - 9 - HB2 LYS 13 - HE2 LYS 73 poor 9 65 - 13 - HB2 LYS 33 - HE3 LYS 12 lone 9 91 - 9 - HB3 LEU 14 - HE3 LYS 24 lone 6 85 - 7 - 8420/6.2=2, 3.8/6195=1 HB3 LEU 14 - HE2 LYS 24 lone 6 85 - 7 - 8420/6.2=2, 3.8/6195=1 HB3 LYS 33 - HE3 LYS 24 lone 5 99 - 5 - HB3 LYS 33 - HE2 LYS 24 lone 5 99 - 5 - HB2 LYS 33 - HE2 LYS 24 lone 5 99 - 5 - HB2 LYS 33 - HE3 LYS 24 lone 5 99 - 5 - HB3 LEU 14 - HE3 LYS 12 lone 5 75 - 7 - 3.8/6195=2 HB3 LYS 47 - HE3 LYS 12 lone 4 80 - 5 - HG LEU 42 - HE2 LYS 13 lone 3 65 - 5 - HG LEU 42 - HE3 LYS 13 lone 3 64 - 5 - HB2 LYS 94 - HE3 LYS 12 lone 3 84 - 3 - HB2 LYS 94 - HE2 LYS 13 lone 3 96 - 3 - HB2 LYS 94 - HE3 LYS 13 lone 3 94 - 3 - HB2 LYS 94 - HE3 LYS 24 lone 2 94 - 2 - HB2 LYS 94 - HE2 LYS 24 lone 2 94 - 2 - HG LEU 42 - HE3 LYS 12 lone 2 55 - 4 - ~10392=1 HG LEU 42 - HE2 LYS 24 lone 2 64 - 3 - HG LEU 42 - HE3 LYS 24 lone 2 64 - 3 - HB2 LYS 94 - HE2 LYS 73 lone 1 58 - 2 - HB2 GLU 43 - HE2 LYS 13 lone 1 96 - 1 - HB2 GLU 43 - HE3 LYS 13 lone 1 94 - 1 - HB ILE 8 - HE2 LYS 13 lone 1 61 - 2 - HB ILE 8 - HE3 LYS 13 lone 1 60 - 2 - HB3 ARG 19 - HE2 LYS 13 lone 1 77 - 1 - HB3 ARG 19 - HE3 LYS 13 lone 1 75 - 1 - HB3 ARG 19 - HE2 LYS 24 lone 1 75 - 1 - HB3 ARG 19 - HE3 LYS 24 lone 1 75 - 1 - HB3 ARG 19 - HE3 LYS 12 lone 1 65 - 1 - HB2 GLU 43 - HE2 LYS 24 lone 1 94 - 1 - HB2 GLU 43 - HE3 LYS 24 lone 1 94 - 1 - HB ILE 8 - HE3 LYS 12 lone 1 51 - 1 - HB3 LEU 14 - HE2 LYS 73 lone 1 50 - 1 - HB2 GLU 43 - HE3 LYS 12 lone 1 84 - 1 - HB3 LYS 33 - HE2 LYS 73 lone 1 65 - 1 - HB2 LYS 33 - HE2 LYS 73 lone 1 64 - 1 - HB ILE 8 - HE3 LYS 24 lone 0 60 - 1 - HB ILE 8 - HE2 LYS 24 lone 0 60 - 1 - HB2 GLU 43 - HE2 LYS 73 lone 0 58 - 1 - HB3 ARG 19 - HE2 LYS 73 lone 0 43 - 1 - HB ILE 8 - HE2 LYS 73 lone 0 33 - 1 - HG LEU 42 - HE2 LYS 73 lone 0 36 - 1 - Peak 565 from cnoeabs.peaks (1.43, 2.96, 41.80 ppm; 3.58 A): 3 out of 42 assignments used, quality = 1.00: * HG2 LYS 13 + HE2 LYS 13 OK 95 100 - 95 - 3.8=82, 524/2.9=9...(58) HG2 LYS 13 + HE3 LYS 13 OK 94 99 - 95 - 3.8=82, 524/2.9=9...(60) HG2 LYS 12 + HE3 LYS 12 OK 60 65 - 91 - 4.0=74, 423/1.8=13...(29) HG2 LYS 13 - HE2 LYS 24 OK 38 99 - 39 - 526=3, 526/1.8=3...(10) HG2 LYS 13 - HE3 LYS 24 OK 38 99 - 39 - 526=3, 526/1.8=3...(10) HG2 LYS 12 - HE2 LYS 13 OK 33 77 - 44 - 424=3, 424/1.8=2...(24) HG2 LYS 12 - HE3 LYS 13 OK 33 75 - 44 - 424=3, 424/1.8=2...(26) HG2 LYS 13 - HE3 LYS 12 OK 32 92 - 35 - 463/1.8=3, 524/3.0=3...(16) HG2 LYS 12 - HE3 LYS 24 OK 27 75 - 37 - 4.0/468=2, 424=2...(18) HG2 LYS 12 - HE2 LYS 24 OK 27 75 - 37 - 4.0/468=2, 424=2...(18) HG3 LYS 39 - HE3 LYS 12 OK 13 78 - 16 - 1716/4.8=2, 1716/4.8=2...(6) HG2 LYS 13 - HE2 LYS 73 OK 10 65 - 15 - 522/4.0=2, 526=1...(4) HG LEU 29 - HE3 LYS 12 lone 9 89 - 10 - 1290/4.0=2, 8675/4.8=1 HG13 ILE 76 - HE2 LYS 13 lone 8 98 - 8 - 2.1/9669=1, 532/3.8=1 HG13 ILE 76 - HE3 LYS 13 lone 8 97 - 8 - 532/3.8=1, 2.1/9669=1, ~9669=1 HG12 ILE 7 - HE3 LYS 12 lone 7 88 - 8 - ~8262=1, 10375/1.8=1...(4) HG13 ILE 76 - HE3 LYS 12 lone 6 88 - 7 - 2.1/9669=1 HG12 ILE 7 - HE2 LYS 13 lone 6 98 - 6 - HG12 ILE 7 - HE3 LYS 13 lone 6 97 - 6 - HG13 ILE 76 - HE2 LYS 24 lone 6 97 - 6 - HG13 ILE 76 - HE3 LYS 24 lone 6 97 - 6 - HG3 LYS 39 - HE2 LYS 13 lone 5 90 - 6 - 1713/7.3=1 QB ALA 22 - HE3 LYS 12 lone 5 89 - 6 - 8581/4.0=1, 8582/4.8=1 HG3 LYS 39 - HE3 LYS 13 lone 5 88 - 6 - 1713/7.3=1 HG2 LYS 12 - HE2 LYS 73 poor 5 43 - 12 - QB ALA 22 - HE2 LYS 24 lone 5 98 - 5 - 8589/7.4=3 QB ALA 22 - HE3 LYS 24 lone 5 98 - 5 - 8589/7.4=3 QB ALA 22 - HE2 LYS 13 lone 3 99 - 3 - QB ALA 22 - HE3 LYS 13 lone 3 98 - 3 - HG LEU 29 - HE2 LYS 13 lone 3 99 - 3 - HG LEU 29 - HE3 LYS 13 lone 3 98 - 3 - HG13 ILE 76 - HE2 LYS 73 lone 2 61 - 4 - QB ALA 22 - HE2 LYS 73 lone 2 63 - 3 - HG LEU 29 - HE3 LYS 24 lone 2 98 - 2 - HG LEU 29 - HE2 LYS 24 lone 2 98 - 2 - HG3 LYS 39 - HE2 LYS 24 lone 2 88 - 2 - HG3 LYS 39 - HE3 LYS 24 lone 2 88 - 2 - HG12 ILE 7 - HE3 LYS 24 lone 2 97 - 2 - HG12 ILE 7 - HE2 LYS 24 lone 2 97 - 2 - HG LEU 29 - HE2 LYS 73 lone 1 63 - 1 - HG3 LYS 39 - HE2 LYS 73 lone 1 53 - 2 - HG12 ILE 7 - HE2 LYS 73 lone 1 61 - 1 - Peak 566 from cnoeabs.peaks (1.50, 2.96, 41.80 ppm; 3.02 A): 5 out of 72 assignments used, quality = 1.00: * HG3 LYS 13 + HE2 LYS 13 OK 74 100 - 74 - 3.8=50, 535/2.9=5...(20) HG3 LYS 13 + HE3 LYS 13 OK 74 99 - 74 - 3.8=50, 535/2.9=5...(20) HG3 LYS 24 + HE3 LYS 24 OK 71 88 - 81 - 3.7=54, 1101/3.0=5...(26) HG3 LYS 24 + HE2 LYS 24 OK 71 88 - 81 - 3.7=54, 1101/3.0=5...(26) HG2 LYS 73 + HE2 LYS 73 OK 49 63 - 78 - 4.0=43, 3297/3.0=7...(29) HG3 LYS 13 - HE2 LYS 24 OK 27 99 - 27 - 1.8/526=2, ~526=1...(9) HG3 LYS 13 - HE3 LYS 24 OK 27 99 - 27 - 1.8/526=2, ~526=1...(9) HG3 LYS 24 - HE2 LYS 13 OK 25 90 - 28 - 1104=2, 1104/1.8=2...(6) HG3 LYS 24 - HE3 LYS 13 OK 24 88 - 28 - 1104=2, 1104/1.8=2...(6) HG2 LYS 47 - HE2 LYS 13 OK 24 98 - 25 - 522/3.8=2, 1.8/2176=1...(6) HG2 LYS 47 - HE3 LYS 13 OK 24 97 - 25 - 522/3.8=2, ~2177=1...(6) HG3 LYS 13 - HE3 LYS 12 OK 24 92 - 26 - ~463=3, 1.8/525=2...(14) HG2 LYS 47 - HE3 LYS 24 OK 23 97 - 24 - 1.8/2177=2, ~2177=2...(5) HG2 LYS 47 - HE2 LYS 24 OK 23 97 - 24 - 1.8/2177=2, ~2177=2...(5) HG2 LYS 73 - HE2 LYS 13 OK 22 99 - 22 - 522/3.8=1, 1.8/3279=1...(4) HG2 LYS 73 - HE3 LYS 13 OK 21 98 - 22 - 522/3.8=1, 1.8/3279=1, 537=1 HG2 LYS 73 - HE3 LYS 24 OK 19 98 - 20 - 3265/3.7=1, 1.8/1132=1 HG2 LYS 73 - HE2 LYS 24 OK 19 98 - 20 - 3265/3.7=1, 1.8/1132=1 HG3 LYS 24 - HE3 LYS 12 OK 18 78 - 23 - ~464=3, ~434=2, 1103=2...(8) HG3 LYS 66 - HE3 LYS 12 OK 15 90 - 17 - 3275/4.0=2, 2926/3.0=1...(7) HG2 LYS 66 - HE3 LYS 12 OK 14 88 - 17 - 3275/4.0=2, 2926/3.0=1...(7) HG3 LYS 24 - HE2 LYS 73 OK 12 53 - 23 - 1103=2, ~3320=2...(8) HG2 LYS 47 - HE2 LYS 73 poor 8 61 - 14 - 3297/3.0=2, 3286/3.0=2 HG2 LYS 73 - HE3 LYS 12 lone 8 89 - 9 - ~464=1, ~434=1 HG3 LYS 66 - HE2 LYS 13 lone 7 99 - 7 - HG3 LYS 66 - HE3 LYS 13 lone 7 98 - 7 - HG2 LYS 66 - HE2 LYS 13 lone 7 98 - 7 - HG3 LYS 33 - HE2 LYS 13 lone 7 97 - 8 - 522/3.8=2 HG2 LYS 66 - HE3 LYS 13 lone 7 97 - 7 - HG3 LYS 33 - HE3 LYS 13 lone 7 96 - 7 - 522/3.8=2 HG3 LYS 13 - HE2 LYS 73 lone 6 65 - 10 - HG3 LYS 66 - HE2 LYS 24 lone 6 98 - 6 - HG3 LYS 66 - HE3 LYS 24 lone 6 98 - 6 - HG3 LYS 33 - HE3 LYS 12 lone 6 86 - 7 - HG2 LYS 66 - HE2 LYS 24 lone 6 97 - 6 - HG2 LYS 66 - HE3 LYS 24 lone 6 97 - 6 - HG3 LYS 33 - HE3 LYS 24 lone 4 96 - 5 - HG3 LYS 33 - HE2 LYS 24 lone 4 96 - 5 - HG2 LYS 47 - HE3 LYS 12 lone 3 88 - 4 - HG3 LYS 66 - HE2 LYS 73 lone 3 64 - 5 - HG2 LYS 66 - HE2 LYS 73 lone 3 61 - 5 - HG LEU 2 - HE2 LYS 13 lone 3 65 - 4 - HG LEU 2 - HE3 LYS 13 lone 2 64 - 4 - HB2 ARG 91 - HE2 LYS 13 lone 2 90 - 3 - HG LEU 2 - HE2 LYS 24 lone 2 64 - 4 - HG LEU 2 - HE3 LYS 24 lone 2 64 - 4 - HB2 ARG 91 - HE3 LYS 13 lone 2 88 - 3 - HB2 ARG 91 - HE2 LYS 73 lone 2 53 - 3 - HB2 ARG 91 - HE2 LYS 24 lone 2 88 - 2 - HB2 ARG 91 - HE3 LYS 24 lone 2 88 - 2 - HG LEU 57 - HE2 LYS 13 lone 2 99 - 2 - HG LEU 57 - HE3 LYS 13 lone 2 98 - 2 - HB2 ARG 91 - HE3 LYS 12 lone 2 78 - 2 - HB3 LEU 64 - HE2 LYS 13 lone 1 97 - 1 - HB3 LEU 64 - HE3 LYS 13 lone 1 96 - 1 - HG LEU 2 - HE3 LYS 12 lone 1 55 - 2 - HG LEU 57 - HE2 LYS 73 lone 1 64 - 2 - HB3 LEU 64 - HE3 LYS 24 lone 1 96 - 1 - HB3 LEU 64 - HE2 LYS 24 lone 1 96 - 1 - HB3 LEU 64 - HE2 LYS 73 lone 1 60 - 2 - HG LEU 57 - HE3 LYS 24 lone 1 98 - 1 - HG LEU 57 - HE2 LYS 24 lone 1 98 - 1 - HG LEU 57 - HE3 LYS 12 lone 1 90 - 1 - HB3 LEU 64 - HE3 LYS 12 lone 1 86 - 1 - HG LEU 64 - HE2 LYS 13 lone 1 70 - 1 - HG LEU 64 - HE3 LYS 13 lone 1 68 - 1 - HG3 LYS 33 - HE2 LYS 73 lone 1 60 - 1 - HG LEU 64 - HE2 LYS 73 lone 1 38 - 1 - HG LEU 2 - HE2 LYS 73 lone 0 36 - 1 - HG LEU 64 - HE3 LYS 24 lone 0 68 - 1 - HG LEU 64 - HE2 LYS 24 lone 0 68 - 1 - HG LEU 64 - HE3 LYS 12 lone 0 58 - 1 - Peak 567 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.59 A): 10 out of 102 assignments used, quality = 1.00: HD3 LYS 13 + HE2 LYS 13 OK 78 100 - 78 - 2.9=69, 524/3.8=3...(11) * HD2 LYS 13 + HE2 LYS 13 OK 78 100 - 78 - 2.9=69, 524/3.8=3...(11) HD2 LYS 13 + HE3 LYS 13 OK 78 99 - 78 - 2.9=69, 524/3.8=3...(11) HD3 LYS 13 + HE3 LYS 13 OK 78 99 - 79 - 2.9=69, 524/3.8=3...(11) HD3 LYS 24 + HE3 LYS 24 OK 77 98 - 78 - 3.0=66, 1102/3.7=3...(16) HD3 LYS 24 + HE2 LYS 24 OK 77 98 - 78 - 3.0=66, 1102/3.7=3...(16) HD2 LYS 24 + HE2 LYS 24 OK 76 98 - 78 - 3.0=66, 1102/3.7=3...(16) HD2 LYS 24 + HE3 LYS 24 OK 76 98 - 78 - 3.0=66, 1102/3.7=3...(16) HD3 LYS 12 + HE3 LYS 12 OK 73 92 - 79 - 3.0=66, 465/1.8=8...(15) HD2 LYS 12 + HE3 LYS 12 OK 73 92 - 79 - 3.0=66, 465/1.8=8...(15) HD2 LYS 12 - HE2 LYS 13 OK 22 100 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD3 LYS 12 - HE2 LYS 13 OK 22 100 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD3 LYS 12 - HE3 LYS 13 OK 21 99 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD2 LYS 12 - HE3 LYS 13 OK 21 99 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD3 LYS 12 - HE3 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD3 LYS 12 - HE2 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 12 - HE3 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 12 - HE2 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 13 - HE3 LYS 12 OK 17 92 - 19 - 465/1.8=2, ~463=1...(5) HD3 LYS 13 - HE3 LYS 12 OK 17 91 - 19 - 465/1.8=2, ~463=1...(5) HD3 LYS 24 - HE3 LYS 12 OK 16 90 - 18 - 466/1.8=2, ~464=1...(6) HD2 LYS 24 - HE3 LYS 12 OK 16 89 - 18 - 466/1.8=2, ~464=1...(6) HD2 LYS 13 - HE2 LYS 24 OK 15 99 - 15 - 3.0/526=1 HD2 LYS 13 - HE3 LYS 24 OK 15 99 - 15 - 3.0/526=1 HD3 LYS 13 - HE2 LYS 24 OK 15 99 - 15 - 3.0/526=1 HD3 LYS 13 - HE3 LYS 24 OK 15 99 - 15 - 3.0/526=1 HD3 LYS 24 - HE2 LYS 13 OK 15 99 - 15 - 3.0/1104=1 HD2 LYS 24 - HE2 LYS 13 OK 15 99 - 15 - 3.0/1104=1 HD3 LYS 24 - HE3 LYS 13 OK 14 98 - 15 - 3.0/1103=1 HD2 LYS 24 - HE3 LYS 13 OK 14 98 - 15 - 3.0/1104=1 HG12 ILE 15 - HE3 LYS 12 OK 13 86 - 15 - ~8445=3, ~10392=2...(4) HD3 LYS 66 - HE3 LYS 12 OK 11 92 - 12 - 2947/4.0=2, 2944/4.8=1...(5) HD3 LYS 47 - HE3 LYS 24 poor 6 60 - 10 - HD3 LYS 47 - HE2 LYS 24 poor 6 60 - 10 - HD3 LYS 47 - HE2 LYS 13 poor 6 61 - 10 - HD3 LYS 24 - HE2 LYS 73 lone 6 64 - 10 - HD3 LYS 47 - HE3 LYS 13 poor 6 60 - 10 - HD2 LYS 24 - HE2 LYS 73 lone 6 63 - 10 - HD3 LYS 90 - HE3 LYS 12 lone 6 90 - 6 - HG12 ILE 15 - HE2 LYS 13 lone 5 97 - 6 - 12025/3.8=1 HG12 ILE 15 - HE3 LYS 13 lone 5 96 - 6 - 12025/3.8=1 HD3 LYS 90 - HE3 LYS 24 lone 5 98 - 5 - HD3 LYS 90 - HE2 LYS 24 lone 5 98 - 5 - HG2 PRO 86 - HE2 LYS 24 lone 4 94 - 5 - HG2 PRO 86 - HE3 LYS 24 lone 4 94 - 5 - HD3 LYS 66 - HE2 LYS 13 lone 4 100 - 4 - HD3 LYS 66 - HE3 LYS 13 lone 4 99 - 4 - HD2 LYS 13 - HE2 LYS 73 lone 4 65 - 6 - HD3 LYS 13 - HE2 LYS 73 lone 4 65 - 6 - HD3 LYS 66 - HE3 LYS 24 lone 4 99 - 4 - HD3 LYS 66 - HE2 LYS 24 lone 4 99 - 4 - HD3 LYS 90 - HE2 LYS 73 lone 3 64 - 5 - 3988/1.8=1 HB2 LEU 2 - HE2 LYS 13 lone 3 100 - 3 - HD2 LYS 12 - HE2 LYS 73 lone 3 65 - 5 - HD3 LYS 12 - HE2 LYS 73 lone 3 65 - 5 - HB2 LEU 2 - HE3 LYS 13 lone 3 99 - 3 - HB2 LEU 2 - HE3 LYS 24 lone 3 99 - 3 - HB2 LEU 2 - HE2 LYS 24 lone 3 99 - 3 - HG2 PRO 86 - HE2 LYS 13 lone 3 96 - 3 - HG2 PRO 86 - HE3 LYS 13 lone 2 94 - 3 - HG LEU 70 - HE2 LYS 13 lone 2 100 - 2 - HG LEU 70 - HE3 LYS 13 lone 2 99 - 2 - HD3 LYS 66 - HE2 LYS 73 lone 2 65 - 3 - HG12 ILE 15 - HE2 LYS 24 lone 2 96 - 2 - HG12 ILE 15 - HE3 LYS 24 lone 2 96 - 2 - HB2 LEU 2 - HE3 LYS 12 lone 2 92 - 2 - HG LEU 70 - HE3 LYS 12 lone 2 91 - 2 - HD3 LYS 90 - HE2 LYS 13 lone 2 99 - 2 - HD3 LYS 90 - HE3 LYS 13 lone 2 98 - 2 - HD3 LYS 47 - HE2 LYS 73 lone 1 33 - 4 - HG2 PRO 86 - HE3 LYS 12 lone 1 84 - 2 - HB3 LEU 70 - HE2 LYS 13 lone 1 77 - 2 - HB3 LEU 70 - HE3 LYS 13 lone 1 75 - 2 - HB3 LYS 40 - HE3 LYS 12 lone 1 58 - 2 - HB2 LEU 2 - HE2 LYS 73 lone 1 65 - 2 - HB3 LEU 70 - HE2 LYS 73 lone 1 43 - 3 - ~10818=2 HB3 LEU 70 - HE3 LYS 12 lone 1 65 - 2 - HG LEU 70 - HE2 LYS 24 lone 1 99 - 1 - HG LEU 70 - HE3 LYS 24 lone 1 99 - 1 - HD3 LYS 47 - HE3 LYS 12 lone 1 51 - 2 - HG LEU 70 - HE2 LYS 73 lone 1 65 - 1 - HB3 ARG 91 - HE2 LYS 13 lone 1 65 - 1 - HB3 ARG 91 - HE3 LYS 13 lone 1 64 - 1 - HB3 ARG 91 - HE2 LYS 24 lone 1 64 - 1 - HB3 ARG 91 - HE3 LYS 24 lone 1 64 - 1 - HB3 LEU 70 - HE2 LYS 24 lone 1 75 - 1 - HB3 LEU 70 - HE3 LYS 24 lone 1 75 - 1 - HB3 ARG 91 - HE3 LYS 12 lone 1 55 - 1 - HB3 LYS 53 - HE3 LYS 12 lone 0 65 - 1 - HB3 LYS 40 - HE2 LYS 13 lone 0 70 - 1 - HB3 LYS 40 - HE3 LYS 13 lone 0 68 - 1 - HB3 ARG 91 - HE2 LYS 73 lone 0 36 - 1 - HG12 ILE 15 - HE2 LYS 73 lone 0 60 - 1 - HB3 LYS 53 - HE2 LYS 24 lone 0 75 - 0 - HB3 LYS 53 - HE3 LYS 24 lone 0 75 - 0 - HB3 LYS 40 - HE2 LYS 24 lone 0 68 - 0 - HB3 LYS 40 - HE3 LYS 24 lone 0 68 - 0 - HG2 PRO 86 - HE2 LYS 73 lone 0 58 - 1 - HB3 LYS 53 - HE2 LYS 13 lone 0 77 - 0 - HB3 LYS 53 - HE3 LYS 13 lone 0 75 - 0 - HB3 LYS 40 - HE2 LYS 73 lone 0 38 - 1 - HB3 LYS 53 - HE2 LYS 73 lone 0 43 - 0 - Peak 568 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.59 A): 10 out of 90 assignments used, quality = 1.00: * HD3 LYS 13 + HE2 LYS 13 OK 79 100 - 78 - 2.9=69, 524/3.8=3...(11) HD2 LYS 13 + HE2 LYS 13 OK 78 100 - 78 - 2.9=69, 524/3.8=3...(11) HD3 LYS 13 + HE3 LYS 13 OK 78 99 - 79 - 2.9=69, 524/3.8=3...(11) HD2 LYS 13 + HE3 LYS 13 OK 78 99 - 78 - 2.9=69, 524/3.8=3...(11) HD3 LYS 24 + HE3 LYS 24 OK 75 97 - 78 - 3.0=66, 3.0/1104=3...(16) HD3 LYS 24 + HE2 LYS 24 OK 75 97 - 78 - 3.0=66, 3.0/1104=3...(16) HD2 LYS 24 + HE2 LYS 24 OK 74 96 - 78 - 3.0=66, 3.0/1103=3...(16) HD2 LYS 24 + HE3 LYS 24 OK 74 96 - 78 - 3.0=66, 3.0/1103=3...(16) HD3 LYS 12 + HE3 LYS 12 OK 72 91 - 79 - 3.0=66, 466/1.8=8...(15) HD2 LYS 12 + HE3 LYS 12 OK 72 91 - 79 - 3.0=66, 466/1.8=8...(15) HD2 LYS 12 - HE2 LYS 13 OK 22 100 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD3 LYS 12 - HE2 LYS 13 OK 22 100 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD3 LYS 12 - HE3 LYS 13 OK 21 99 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD2 LYS 12 - HE3 LYS 13 OK 21 99 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD3 LYS 12 - HE3 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD3 LYS 12 - HE2 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 12 - HE3 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 12 - HE2 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD3 LYS 13 - HE3 LYS 12 OK 17 92 - 19 - 466/1.8=2, ~463=1...(5) HD2 LYS 13 - HE3 LYS 12 OK 17 91 - 19 - 465/1.8=2, ~463=1...(5) HD3 LYS 24 - HE3 LYS 12 OK 15 88 - 18 - 465/1.8=2, ~464=1...(6) HD2 LYS 24 - HE3 LYS 12 OK 15 86 - 18 - 465/1.8=2, ~464=1...(6) HD3 LYS 13 - HE3 LYS 24 OK 15 99 - 15 - 3.0/526=1 HD3 LYS 13 - HE2 LYS 24 OK 15 99 - 15 - 3.0/526=1 HD2 LYS 13 - HE3 LYS 24 OK 15 99 - 15 - 3.0/526=1 HD2 LYS 13 - HE2 LYS 24 OK 15 99 - 15 - 3.0/526=1 HD3 LYS 24 - HE2 LYS 13 OK 14 98 - 15 - 3.0/1103=1 HD2 LYS 24 - HE2 LYS 13 OK 14 97 - 15 - 3.0/1104=1 HD3 LYS 24 - HE3 LYS 13 OK 14 97 - 15 - 3.0/1103=1 HD2 LYS 24 - HE3 LYS 13 OK 14 96 - 15 - 3.0/1104=1 HG12 ILE 15 - HE3 LYS 12 OK 12 82 - 15 - ~8445=3, ~10392=2...(4) HD3 LYS 66 - HE3 LYS 12 OK 11 92 - 12 - 2947/4.0=2, 2944/4.8=1...(5) HD3 LYS 24 - HE2 LYS 73 lone 6 61 - 10 - HD2 LYS 24 - HE2 LYS 73 lone 6 60 - 10 - HD3 LYS 90 - HE3 LYS 12 lone 6 88 - 6 - HG12 ILE 15 - HE2 LYS 13 lone 5 94 - 6 - HG12 ILE 15 - HE3 LYS 13 lone 5 92 - 5 - HD3 LYS 90 - HE3 LYS 24 lone 5 97 - 5 - HD3 LYS 90 - HE2 LYS 24 lone 5 97 - 5 - HD3 LYS 66 - HE2 LYS 13 lone 4 100 - 4 - HD3 LYS 66 - HE3 LYS 13 lone 4 99 - 4 - HG2 PRO 86 - HE3 LYS 24 lone 4 90 - 4 - HG2 PRO 86 - HE2 LYS 24 lone 4 90 - 4 - HD3 LYS 13 - HE2 LYS 73 lone 4 65 - 6 - HD2 LYS 13 - HE2 LYS 73 lone 4 65 - 6 - HD3 LYS 66 - HE3 LYS 24 lone 4 99 - 4 - HD3 LYS 66 - HE2 LYS 24 lone 4 99 - 4 - HB2 LEU 2 - HE2 LYS 13 lone 3 100 - 3 - HB2 LEU 2 - HE3 LYS 13 lone 3 99 - 3 - HD3 LYS 12 - HE2 LYS 73 lone 3 65 - 5 - HD2 LYS 12 - HE2 LYS 73 lone 3 65 - 5 - HD3 LYS 90 - HE2 LYS 73 lone 3 61 - 5 - 3988/1.8=1 HB2 LEU 2 - HE3 LYS 24 lone 3 99 - 3 - HB2 LEU 2 - HE2 LYS 24 lone 3 99 - 3 - HG2 PRO 86 - HE2 LYS 13 lone 2 92 - 3 - HG2 PRO 86 - HE3 LYS 13 lone 2 90 - 3 - HG LEU 70 - HE2 LYS 13 lone 2 99 - 2 - HG LEU 70 - HE3 LYS 13 lone 2 98 - 2 - HD3 LYS 66 - HE2 LYS 73 lone 2 65 - 3 - HB2 LEU 2 - HE3 LYS 12 lone 2 92 - 2 - HG12 ILE 15 - HE2 LYS 24 lone 2 92 - 2 - HG12 ILE 15 - HE3 LYS 24 lone 2 92 - 2 - HG LEU 70 - HE3 LYS 12 lone 2 90 - 2 - HD3 LYS 90 - HE2 LYS 13 lone 2 98 - 2 - HD3 LYS 90 - HE3 LYS 13 lone 2 97 - 2 - HB3 LEU 70 - HE2 LYS 13 lone 1 84 - 2 - HB3 LEU 70 - HE3 LYS 13 lone 1 82 - 2 - HB3 LEU 70 - HE3 LYS 12 lone 1 72 - 2 - HB3 LEU 70 - HE2 LYS 73 lone 1 48 - 3 - ~10818=2 HG2 PRO 86 - HE3 LYS 12 lone 1 80 - 2 - HB2 LEU 2 - HE2 LYS 73 lone 1 65 - 2 - HB3 LYS 40 - HE3 LYS 12 lone 1 51 - 2 - HG LEU 70 - HE2 LYS 24 lone 1 98 - 1 - HG LEU 70 - HE3 LYS 24 lone 1 98 - 1 - HG LEU 70 - HE2 LYS 73 lone 1 64 - 1 - HB3 LEU 70 - HE3 LYS 24 lone 1 82 - 1 - HB3 LEU 70 - HE2 LYS 24 lone 1 82 - 1 - HB3 LYS 53 - HE3 LYS 12 lone 0 58 - 1 - HB3 LYS 40 - HE2 LYS 13 lone 0 61 - 1 - HB3 LYS 40 - HE3 LYS 13 lone 0 60 - 1 - HG12 ILE 15 - HE2 LYS 73 lone 0 57 - 1 - HB3 LYS 53 - HE2 LYS 24 lone 0 68 - 0 - HB3 LYS 53 - HE3 LYS 24 lone 0 68 - 0 - HG2 PRO 86 - HE2 LYS 73 lone 0 55 - 1 - HB3 LYS 40 - HE3 LYS 24 lone 0 60 - 0 - HB3 LYS 40 - HE2 LYS 24 lone 0 60 - 0 - HB3 LYS 53 - HE2 LYS 13 lone 0 70 - 0 - HB3 LYS 53 - HE3 LYS 13 lone 0 68 - 0 - HB3 LYS 40 - HE2 LYS 73 lone 0 33 - 1 - HB3 LYS 53 - HE2 LYS 73 lone 0 38 - 0 - Peak 569 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HE2 LYS 13 + HE2 LYS 13 OK 100 100 - 100 HE3 LYS 13 + HE3 LYS 13 OK 99 99 - 100 HE3 LYS 24 + HE3 LYS 24 OK 99 99 - 100 HE2 LYS 24 + HE2 LYS 24 OK 99 99 - 100 HE3 LYS 12 + HE3 LYS 12 OK 89 89 - 100 HE2 LYS 73 + HE2 LYS 73 OK 57 57 - 100 Peak 570 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HE2 LYS 13 + HE2 LYS 13 OK 100 100 - 100 HE3 LYS 13 + HE3 LYS 13 OK 99 99 - 100 HE3 LYS 24 + HE3 LYS 24 OK 98 98 - 100 HE2 LYS 24 + HE2 LYS 24 OK 98 98 - 100 HE3 LYS 12 + HE3 LYS 12 OK 86 86 - 100 HE2 LYS 73 + HE2 LYS 73 OK 60 60 - 100 Reference assignment not found: HE3 LYS 13 - HE2 LYS 13 Peak 572 from cnoeabs.peaks (8.07, 2.96, 41.80 ppm; 6.50 A): 8 out of 36 assignments used, quality = 1.00: * H LYS 13 + HE3 LYS 13 OK 96 100 - 96 - 7.3=71, 517/3.8=23...(24) H LYS 13 + HE2 LYS 13 OK 96 99 - 96 - 7.3=71, 517/3.8=23...(24) H LYS 13 + HE3 LYS 12 OK 71 81 - 88 - 6163/7.3=26, 6171/1.8=21...(20) H ILE 15 + HE3 LYS 13 OK 58 100 - 58 - 6208/6.0=17, 517/3.8=13...(9) H ILE 15 + HE2 LYS 13 OK 58 99 - 59 - 6208/6.0=17, 517/3.8=13...(10) H LYS 13 + HE3 LYS 24 OK 56 96 - 59 - 6168/3.7=6, 3.6/389=5...(25) H LYS 13 + HE2 LYS 24 OK 56 96 - 59 - 6168/3.7=6, 3.6/389=5...(25) H ILE 15 + HE3 LYS 12 OK 48 80 - 60 - ~8451=13, 6206/6.3=11...(15) H LYS 39 - HE3 LYS 12 OK 31 73 - 42 - 425/4.0=12, 6605/4.8=8...(9) H LYS 13 - HE2 LYS 73 OK 28 81 - 35 - 6168/4.0=5, 6177/4.0=4...(16) H GLU 75 - HE3 LYS 13 OK 28 100 - 28 - 9618/6.0=8, 517/3.8=6...(9) H GLU 75 - HE2 LYS 13 OK 27 99 - 28 - 9618/6.0=8, 517/3.8=6...(9) H GLU 17 - HE3 LYS 13 OK 23 87 - 26 - 5.1/11024=7, 10427/6.0=5...(8) H GLU 17 - HE2 LYS 13 OK 22 85 - 26 - 5.1/11024=7, 10427/6.0=5...(8) H GLU 75 - HE2 LYS 73 OK 20 80 - 25 - 9618/6.7=6, 7236/4.9=6...(5) H ILE 15 - HE3 LYS 24 OK 17 96 - 17 - 4.6/6195=3, 6211/3.7=1...(4) H ILE 15 - HE2 LYS 24 OK 17 96 - 17 - 4.6/6195=3, 6211/3.7=1...(4) H GLU 75 - HE2 LYS 24 OK 15 96 - 16 - 7236/4.9=3, 7236/4.9=3...(5) H GLU 75 - HE3 LYS 24 OK 15 96 - 16 - 7236/4.9=3, 7236/4.9=3...(5) H LYS 39 - HE3 LYS 13 OK 15 96 - 16 - 517/3.8=3, 481/6.0=2...(4) H LYS 39 - HE2 LYS 13 OK 15 94 - 16 - 517/3.8=3, 481/6.0=2...(4) H GLU 75 - HE3 LYS 12 OK 14 80 - 18 - 425/4.0=3, 390/6.3=2...(4) H GLU 17 - HE2 LYS 73 OK 12 64 - 19 - 5.1/11024=5, 5.1/9045=2...(9) H GLU 17 - HE3 LYS 12 OK 12 64 - 18 - 5.1/11024=4, 425/4.0=2...(6) H ILE 15 - HE2 LYS 73 poor 9 80 - 11 - 6208/6.7=2, 4.6/6196=1...(4) H LYS 39 - HE2 LYS 73 poor 8 73 - 10 - 6613/7.0=3, 436/4.0=1 H GLU 17 - HE2 LYS 24 lone 7 79 - 9 - 5.1/11024=3, 5.1/9045=1 H GLU 17 - HE3 LYS 24 lone 7 79 - 9 - 5.1/11024=3, 5.1/9045=1 H LYS 39 - HE2 LYS 24 lone 6 89 - 7 - H LYS 39 - HE3 LYS 24 lone 6 89 - 7 - H SER 102 - HE3 LYS 13 lone 4 73 - 6 - H SER 102 - HE2 LYS 13 lone 4 71 - 6 - H SER 102 - HE3 LYS 12 lone 4 52 - 7 - 10112/4.0=1 H SER 102 - HE3 LYS 24 lone 3 66 - 5 - 10112/3.7=1 H SER 102 - HE2 LYS 24 lone 3 66 - 5 - 10112/3.7=1 H SER 102 - HE2 LYS 73 lone 2 52 - 4 - Peak 573 from cnoeabs.peaks (4.15, 2.96, 41.80 ppm; 4.79 A): 5 out of 42 assignments used, quality = 1.00: * HA LYS 13 + HE3 LYS 13 OK 91 100 - 91 - 6.0=51, 518/3.8=18...(39) HA LYS 13 + HE2 LYS 13 OK 90 99 - 91 - 6.0=51, 518/3.8=18...(39) HA LYS 13 + HE2 LYS 24 OK 49 96 - 51 - 489=5, 489/1.8=4...(26) HA LYS 13 + HE3 LYS 24 OK 49 96 - 51 - 489=5, 489/1.8=4...(26) HA LYS 13 + HE3 LYS 12 OK 47 81 - 59 - ~6171=9, 485/4.0=6...(26) HA LYS 47 - HE3 LYS 13 OK 44 90 - 50 - 518/3.8=7, 2126/3.8=5...(28) HA LYS 47 - HE2 LYS 13 OK 43 88 - 50 - 518/3.8=7, 2126/3.8=5...(24) HA LYS 73 - HE2 LYS 73 OK 42 49 - 87 - 6.7=37, 3231/4.0=9...(31) HA LYS 47 - HE3 LYS 24 OK 40 82 - 48 - 2131/1.8=3, 2124/4.9=3...(31) HA LYS 47 - HE2 LYS 24 OK 40 82 - 48 - 2130/1.8=3, 2124/4.9=3...(31) HA LYS 73 - HE3 LYS 13 OK 22 70 - 32 - 518/3.8=3, 3.0/7211=2...(11) HA LYS 73 - HE2 LYS 13 OK 22 68 - 32 - 518/3.8=3, 3.0/7211=2...(11) HA LYS 73 - HE3 LYS 24 OK 21 62 - 34 - 3232/3.7=3, 3231/3.7=2...(14) HA LYS 73 - HE2 LYS 24 OK 21 62 - 34 - 3232/3.7=3, 3231/3.7=2...(14) HA MET 1 - HE2 LYS 73 OK 17 80 - 22 - 8005/1.8=5, 8008/4.0=3...(7) HA LYS 13 - HE2 LYS 73 OK 17 81 - 21 - 486/4.0=2, 490=2...(8) HA LYS 47 - HE2 LYS 73 OK 16 66 - 24 - 2126/4.0=3, 2128/3.0=2...(5) HA GLN 72 - HE3 LYS 13 OK 15 100 - 15 - 518/3.8=3, 3.6/7211=2...(6) HA GLN 72 - HE2 LYS 73 OK 15 81 - 19 - 3190/7.0=9, 486/4.0=2...(5) HA GLN 72 - HE2 LYS 13 OK 15 99 - 15 - 518/3.8=3, 3.6/7211=2...(6) HA MET 1 - HE3 LYS 13 OK 11 100 - 11 - 8008/3.8=2, 518/3.8=2...(4) HA MET 1 - HE2 LYS 13 OK 11 99 - 11 - 8008/3.8=2, 518/3.8=2...(4) HA MET 1 - HE3 LYS 24 OK 11 95 - 11 - 8008/3.7=2, 8007/3.0=2...(5) HA MET 1 - HE2 LYS 24 OK 11 95 - 11 - 8008/3.7=2, 8007/3.0=2...(5) HA GLU 23 - HE3 LYS 24 lone 9 89 - 10 - 6377/7.4=5, 2135/4.9=1 HA GLU 23 - HE2 LYS 24 lone 9 89 - 10 - 6377/7.4=5, 2135/4.9=1 HA GLU 23 - HE3 LYS 13 lone 7 96 - 8 - 3.6/6390=2, 518/3.8=1 HA GLU 23 - HE2 LYS 13 lone 7 94 - 8 - 3.6/6390=2, 518/3.8=1 HA GLN 72 - HE3 LYS 24 lone 7 96 - 7 - 3.6/7211=2 HA GLN 72 - HE2 LYS 24 lone 7 96 - 7 - 3.6/7211=2 HB2 SER 59 - HE2 LYS 73 lone 7 79 - 9 - ~9580=3 HA LYS 47 - HE3 LYS 12 lone 6 66 - 8 - HB2 SER 59 - HE3 LYS 13 lone 5 99 - 5 - HA GLN 72 - HE3 LYS 12 lone 5 81 - 6 - HB2 SER 59 - HE2 LYS 13 lone 5 98 - 5 - HA LYS 73 - HE3 LYS 12 lone 5 49 - 9 - 3232/4.0=1 HA GLU 23 - HE3 LYS 12 lone 3 73 - 4 - 3.6/6389=1 HA MET 1 - HE3 LYS 12 lone 3 80 - 4 - HA GLU 23 - HE2 LYS 73 lone 3 73 - 4 - 3.6/6390=1 HB2 SER 59 - HE3 LYS 24 lone 2 94 - 2 - HB2 SER 59 - HE2 LYS 24 lone 2 94 - 2 - HB2 SER 59 - HE3 LYS 12 lone 2 79 - 2 - Peak 574 from cnoeabs.peaks (1.92, 2.96, 41.80 ppm; 3.41 A): 4 out of 60 assignments used, quality = 0.99: * HB2 LYS 13 + HE3 LYS 13 OK 73 100 - 73 - 5.0=31, 3.0/576=4...(49) HB3 LYS 13 + HE3 LYS 13 OK 73 100 - 73 - 5.0=31, 3.0/576=4...(49) HB2 LYS 13 + HE2 LYS 13 OK 72 99 - 73 - 5.0=31, 3.0/576=4...(49) HB3 LYS 13 + HE2 LYS 13 OK 72 99 - 73 - 5.0=31, 3.0/576=4...(49) HB2 LYS 13 - HE3 LYS 24 OK 34 96 - 36 - 3.0/526=2, 3.0/489=2...(13) HB2 LYS 13 - HE2 LYS 24 OK 34 96 - 36 - 3.0/526=2, 3.0/489=2...(13) HB3 LYS 13 - HE3 LYS 24 OK 34 95 - 36 - 3.0/526=2, 3.0/489=2...(13) HB3 LYS 13 - HE2 LYS 24 OK 34 95 - 36 - 3.0/526=2, 3.0/489=2...(13) HB3 LYS 47 - HE3 LYS 13 OK 31 96 - 33 - 519/3.8=2, 2150/3.8=2...(7) HB3 LYS 47 - HE2 LYS 24 OK 31 89 - 35 - 2155/1.8=2, ~2177=1...(16) HB3 LYS 47 - HE3 LYS 24 OK 31 89 - 35 - 2155/1.8=2, ~2177=1...(16) HB3 LYS 47 - HE2 LYS 13 OK 31 94 - 33 - 519/3.8=2, 2150/3.8=2...(7) HB2 LYS 13 - HE3 LYS 12 OK 25 81 - 31 - ~463=2, 3.0/525=2...(14) HB3 LYS 13 - HE3 LYS 12 OK 24 80 - 31 - ~463=2, 3.0/525=2...(14) HB3 LYS 47 - HE2 LYS 73 OK 14 73 - 19 - 2150/4.0=2, 4192/4.0=1...(4) HB2 LYS 13 - HE2 LYS 73 OK 11 81 - 13 - HB3 LYS 13 - HE2 LYS 73 OK 11 80 - 13 - HB3 LEU 14 - HE3 LYS 13 poor 10 81 - 12 - 3.8/6196=3, 520/3.8=2 HB3 LYS 33 - HE3 LYS 13 lone 9 100 - 10 - 1440/3.8=2, 519/3.8=2 HB2 LYS 33 - HE3 LYS 13 lone 9 100 - 10 - 1429/3.8=2, 519/3.8=2 HB3 LYS 33 - HE2 LYS 13 lone 9 99 - 10 - 1440/3.8=2, 519/3.8=2 HB2 LYS 33 - HE2 LYS 13 lone 9 99 - 10 - 1429/3.8=2, 519/3.8=2 HB3 LEU 14 - HE2 LYS 13 poor 9 79 - 12 - 3.8/6196=3, 520/3.8=2 HB2 LYS 33 - HE3 LYS 12 lone 7 80 - 9 - HB3 LYS 33 - HE3 LYS 12 lone 7 80 - 9 - HB2 LYS 33 - HE2 LYS 24 lone 5 96 - 5 - HB2 LYS 33 - HE3 LYS 24 lone 5 96 - 5 - HB3 LYS 33 - HE3 LYS 24 lone 5 96 - 5 - HB3 LYS 33 - HE2 LYS 24 lone 5 96 - 5 - HB3 LEU 14 - HE3 LYS 24 lone 4 73 - 6 - 8420/6.2=2, 3.8/6195=1 HB3 LEU 14 - HE2 LYS 24 lone 4 73 - 6 - 8420/6.2=2, 3.8/6195=1 HB3 LEU 14 - HE3 LYS 12 lone 4 58 - 6 - 3.8/6195=2 HB3 LYS 47 - HE3 LYS 12 lone 3 73 - 4 - HB2 LYS 94 - HE3 LYS 13 lone 3 98 - 3 - HB2 LYS 94 - HE2 LYS 13 lone 3 97 - 3 - HB2 LYS 94 - HE3 LYS 12 lone 3 76 - 3 - HB2 LYS 94 - HE3 LYS 24 lone 2 92 - 2 - HB2 LYS 94 - HE2 LYS 24 lone 2 92 - 2 - HB3 LYS 20 - HE2 LYS 73 lone 2 46 - 4 - HB2 LYS 94 - HE2 LYS 73 lone 2 76 - 2 - HB2 GLU 43 - HE3 LYS 13 lone 1 92 - 1 - HB2 GLU 43 - HE2 LYS 13 lone 1 90 - 1 - HB3 ARG 19 - HE3 LYS 13 lone 1 84 - 1 - HB3 ARG 19 - HE2 LYS 13 lone 1 82 - 1 - HB3 ARG 19 - HE3 LYS 24 lone 1 76 - 1 - HB3 ARG 19 - HE2 LYS 24 lone 1 76 - 1 - HB2 LYS 33 - HE2 LYS 73 lone 1 80 - 1 - HB3 LYS 33 - HE2 LYS 73 lone 1 80 - 1 - HB3 LEU 14 - HE2 LYS 73 lone 1 58 - 1 - HB3 ARG 19 - HE3 LYS 12 lone 1 61 - 1 - HB2 GLU 43 - HE3 LYS 24 lone 1 84 - 1 - HB2 GLU 43 - HE2 LYS 24 lone 1 84 - 1 - HB3 ARG 19 - HE2 LYS 73 lone 1 61 - 1 - HB3 LYS 20 - HE3 LYS 13 lone 1 65 - 1 - HB3 LYS 20 - HE2 LYS 13 lone 1 64 - 1 - HB2 GLU 43 - HE3 LYS 12 lone 0 69 - 1 - HB3 LYS 20 - HE3 LYS 24 lone 0 58 - 1 - HB3 LYS 20 - HE2 LYS 24 lone 0 58 - 1 - HB2 GLU 43 - HE2 LYS 73 lone 0 69 - 1 - HB3 LYS 20 - HE3 LYS 12 lone 0 46 - 1 - Peak 575 from cnoeabs.peaks (1.91, 2.96, 41.80 ppm; 3.41 A): 4 out of 66 assignments used, quality = 0.99: * HB3 LYS 13 + HE3 LYS 13 OK 73 100 - 73 - 5.0=31, 3.0/576=4...(49) HB2 LYS 13 + HE3 LYS 13 OK 73 100 - 73 - 5.0=31, 3.0/576=4...(49) HB3 LYS 13 + HE2 LYS 13 OK 72 99 - 73 - 5.0=31, 3.0/576=4...(49) HB2 LYS 13 + HE2 LYS 13 OK 72 99 - 73 - 5.0=31, 3.0/576=4...(49) HB3 LYS 13 - HE3 LYS 24 OK 34 96 - 36 - 3.0/526=2, 3.0/489=2...(13) HB3 LYS 13 - HE2 LYS 24 OK 34 96 - 36 - 3.0/526=2, 3.0/489=2...(13) HB2 LYS 13 - HE3 LYS 24 OK 34 95 - 36 - 3.0/526=2, 3.0/489=2...(13) HB2 LYS 13 - HE2 LYS 24 OK 34 95 - 36 - 3.0/526=2, 3.0/489=2...(13) HB3 LYS 47 - HE3 LYS 13 OK 30 92 - 33 - 519/3.8=2, 2150/3.8=2...(7) HB3 LYS 47 - HE2 LYS 13 OK 29 90 - 33 - 519/3.8=2, 2150/3.8=2...(7) HB3 LYS 47 - HE3 LYS 24 OK 29 84 - 34 - 2154/1.8=2, ~2177=1...(16) HB3 LYS 47 - HE2 LYS 24 OK 29 84 - 34 - 2154/1.8=2, ~2177=1...(16) HB3 LYS 13 - HE3 LYS 12 OK 25 81 - 31 - ~463=2, 3.0/525=2...(14) HB2 LYS 13 - HE3 LYS 12 OK 24 80 - 31 - ~463=2, 3.0/525=2...(14) HB3 LYS 47 - HE2 LYS 73 OK 13 69 - 19 - 2150/4.0=1, 4192/4.0=1 HB3 LYS 13 - HE2 LYS 73 OK 11 81 - 13 - HB2 LYS 13 - HE2 LYS 73 OK 11 80 - 13 - HB3 LEU 14 - HE3 LYS 13 OK 11 87 - 12 - 3.8/6196=3, 520/3.8=2 HB3 LEU 14 - HE2 LYS 13 poor 10 85 - 12 - 3.8/6196=3, 520/3.8=2 HB3 LYS 33 - HE3 LYS 13 lone 9 100 - 10 - 1440/3.8=2, 519/3.8=2 HB3 LYS 33 - HE2 LYS 13 lone 9 99 - 10 - 1440/3.8=2, 519/3.8=2 HB2 LYS 33 - HE3 LYS 13 lone 9 100 - 10 - 1429/3.8=2, 519/3.8=2 HB2 LYS 33 - HE2 LYS 13 lone 9 99 - 10 - 1429/3.8=2, 519/3.8=2 HB3 LYS 33 - HE3 LYS 12 lone 7 80 - 9 - HB2 LYS 33 - HE3 LYS 12 lone 7 80 - 9 - HB3 LEU 14 - HE3 LYS 24 lone 5 79 - 7 - 8420/6.2=2, 3.8/6195=1 HB3 LEU 14 - HE2 LYS 24 lone 5 79 - 7 - 8420/6.2=2, 3.8/6195=1 HB3 LYS 33 - HE2 LYS 24 lone 5 96 - 5 - HB3 LYS 33 - HE3 LYS 24 lone 5 96 - 5 - HB2 LYS 33 - HE3 LYS 24 lone 5 95 - 5 - HB2 LYS 33 - HE2 LYS 24 lone 5 95 - 5 - HB3 LEU 14 - HE3 LYS 12 lone 4 64 - 7 - 3.8/6195=2 HB3 LYS 47 - HE3 LYS 12 lone 3 69 - 4 - HG LEU 42 - HE3 LYS 13 lone 3 65 - 4 - HG LEU 42 - HE2 LYS 13 lone 3 64 - 4 - HB2 LYS 94 - HE3 LYS 13 lone 3 96 - 3 - HB2 LYS 94 - HE2 LYS 13 lone 3 94 - 3 - HB2 LYS 94 - HE3 LYS 12 lone 2 73 - 3 - HB2 LYS 94 - HE2 LYS 24 lone 2 89 - 2 - HB2 LYS 94 - HE3 LYS 24 lone 2 89 - 2 - HG LEU 42 - HE3 LYS 12 lone 2 46 - 4 - ~10392=1 HG LEU 42 - HE3 LYS 24 lone 2 58 - 3 - HG LEU 42 - HE2 LYS 24 lone 2 58 - 3 - HB2 LYS 94 - HE2 LYS 73 lone 2 73 - 2 - HB2 GLU 43 - HE3 LYS 13 lone 1 96 - 1 - HB2 GLU 43 - HE2 LYS 13 lone 1 94 - 1 - HB ILE 8 - HE3 LYS 13 lone 1 61 - 2 - HB ILE 8 - HE2 LYS 13 lone 1 60 - 2 - HB3 LEU 14 - HE2 LYS 73 lone 1 64 - 1 - HB3 ARG 19 - HE3 LYS 13 lone 1 77 - 1 - HB3 ARG 19 - HE2 LYS 13 lone 1 75 - 1 - HB3 LYS 33 - HE2 LYS 73 lone 1 80 - 1 - HB2 LYS 33 - HE2 LYS 73 lone 1 80 - 1 - HB3 ARG 19 - HE2 LYS 24 lone 1 70 - 1 - HB3 ARG 19 - HE3 LYS 24 lone 1 70 - 1 - HB2 GLU 43 - HE2 LYS 24 lone 1 89 - 1 - HB2 GLU 43 - HE3 LYS 24 lone 1 89 - 1 - HB3 ARG 19 - HE3 LYS 12 lone 1 55 - 1 - HB ILE 8 - HE3 LYS 12 lone 1 43 - 1 - HB2 GLU 43 - HE3 LYS 12 lone 1 73 - 1 - HB3 ARG 19 - HE2 LYS 73 lone 1 55 - 1 - HB2 GLU 43 - HE2 LYS 73 lone 0 73 - 1 - HG LEU 42 - HE2 LYS 73 lone 0 46 - 1 - HB ILE 8 - HE2 LYS 73 lone 0 43 - 1 - HB ILE 8 - HE3 LYS 24 lone 0 55 - 1 - HB ILE 8 - HE2 LYS 24 lone 0 55 - 1 - Peak 576 from cnoeabs.peaks (1.43, 2.96, 41.80 ppm; 3.58 A): 3 out of 42 assignments used, quality = 1.00: * HG2 LYS 13 + HE3 LYS 13 OK 95 100 - 95 - 3.8=82, 524/2.9=9...(60) HG2 LYS 13 + HE2 LYS 13 OK 94 99 - 95 - 3.8=82, 524/2.9=9...(58) HG2 LYS 12 + HE3 LYS 12 OK 50 55 - 91 - 4.0=74, 423/1.8=13...(29) HG2 LYS 13 - HE3 LYS 24 OK 37 96 - 39 - 526=3, 526/1.8=3...(10) HG2 LYS 13 - HE2 LYS 24 OK 37 96 - 39 - 526=3, 526/1.8=3...(10) HG2 LYS 12 - HE3 LYS 13 OK 33 77 - 44 - 424/1.8=2, 424=2...(26) HG2 LYS 12 - HE2 LYS 13 OK 32 75 - 43 - 424=3, 424/1.8=2...(24) HG2 LYS 13 - HE3 LYS 12 OK 28 81 - 35 - 463/1.8=3, 524/3.0=3...(16) HG2 LYS 12 - HE3 LYS 24 OK 25 70 - 36 - 4.0/468=2, 424=2...(18) HG2 LYS 12 - HE2 LYS 24 OK 25 70 - 36 - 4.0/468=2, 424=2...(18) HG2 LYS 13 - HE2 LYS 73 OK 13 81 - 16 - 522/4.0=2, 526=1...(4) HG3 LYS 39 - HE3 LYS 12 OK 11 66 - 16 - 1716/4.8=2, 1716/4.8=2...(6) HG13 ILE 76 - HE3 LYS 13 lone 8 98 - 8 - 532/3.8=1, ~9669=1 HG13 ILE 76 - HE2 LYS 13 lone 8 97 - 8 - 532/3.8=1, 2.1/9669=1 HG LEU 29 - HE3 LYS 12 lone 8 78 - 10 - 1290/4.0=2, 8675/4.8=1 HG2 LYS 12 - HE2 LYS 73 poor 7 55 - 12 - HG12 ILE 7 - HE3 LYS 12 lone 6 76 - 8 - ~8262=1, 10375/1.8=1...(4) HG12 ILE 7 - HE3 LYS 13 lone 6 98 - 6 - HG12 ILE 7 - HE2 LYS 13 lone 6 97 - 6 - HG3 LYS 39 - HE3 LYS 13 lone 5 90 - 6 - 1713/7.3=1 HG3 LYS 39 - HE2 LYS 13 lone 5 88 - 6 - 1713/7.3=1 HG13 ILE 76 - HE3 LYS 24 lone 5 92 - 6 - HG13 ILE 76 - HE2 LYS 24 lone 5 92 - 6 - HG13 ILE 76 - HE3 LYS 12 lone 5 76 - 6 - 2.1/9669=1 QB ALA 22 - HE2 LYS 24 lone 5 93 - 5 - 8589/7.4=3 QB ALA 22 - HE3 LYS 24 lone 5 93 - 5 - 8589/7.4=3 QB ALA 22 - HE3 LYS 12 lone 5 78 - 6 - 8581/4.0=1, 8582/4.8=1 QB ALA 22 - HE3 LYS 13 lone 3 99 - 3 - QB ALA 22 - HE2 LYS 13 lone 3 98 - 3 - HG13 ILE 76 - HE2 LYS 73 lone 3 76 - 4 - QB ALA 22 - HE2 LYS 73 lone 3 78 - 4 - HG LEU 29 - HE3 LYS 13 lone 3 99 - 3 - HG LEU 29 - HE2 LYS 13 lone 3 98 - 3 - HG LEU 29 - HE2 LYS 24 lone 2 93 - 2 - HG LEU 29 - HE3 LYS 24 lone 2 93 - 2 - HG3 LYS 39 - HE2 LYS 24 lone 1 82 - 2 - HG3 LYS 39 - HE3 LYS 24 lone 1 82 - 2 - HG12 ILE 7 - HE3 LYS 24 lone 1 92 - 2 - HG12 ILE 7 - HE2 LYS 24 lone 1 92 - 2 - HG LEU 29 - HE2 LYS 73 lone 1 78 - 1 - HG3 LYS 39 - HE2 LYS 73 lone 1 66 - 2 - HG12 ILE 7 - HE2 LYS 73 lone 1 76 - 1 - Peak 577 from cnoeabs.peaks (1.50, 2.96, 41.80 ppm; 3.02 A): 5 out of 72 assignments used, quality = 1.00: * HG3 LYS 13 + HE3 LYS 13 OK 74 100 - 74 - 3.8=50, 535/2.9=5...(20) HG3 LYS 13 + HE2 LYS 13 OK 74 99 - 74 - 3.8=50, 535/2.9=5...(20) HG3 LYS 24 + HE2 LYS 24 OK 66 82 - 80 - 3.7=54, 1101/3.0=5...(26) HG3 LYS 24 + HE3 LYS 24 OK 66 82 - 80 - 3.7=54, 1101/3.0=5...(26) HG2 LYS 73 + HE2 LYS 73 OK 60 78 - 78 - 4.0=43, 3297/3.0=7...(29) HG3 LYS 13 - HE3 LYS 24 OK 26 96 - 27 - 1.8/526=2, ~526=1...(9) HG3 LYS 13 - HE2 LYS 24 OK 26 96 - 27 - 1.8/526=2, ~526=1...(9) HG3 LYS 24 - HE3 LYS 13 OK 25 90 - 28 - 1104=2, 1104/1.8=2...(6) HG3 LYS 24 - HE2 LYS 13 OK 24 88 - 28 - 1104=2, 1104/1.8=2...(6) HG2 LYS 47 - HE3 LYS 13 OK 24 98 - 24 - 522/3.8=2, ~2177=1...(6) HG2 LYS 47 - HE2 LYS 13 OK 23 97 - 24 - 522/3.8=2, ~2177=1...(6) HG2 LYS 47 - HE3 LYS 24 OK 22 92 - 24 - ~2177=2, ~2176=2...(5) HG2 LYS 47 - HE2 LYS 24 OK 22 92 - 24 - ~2177=2, ~2176=2...(5) HG2 LYS 73 - HE2 LYS 13 OK 22 98 - 22 - 522/3.8=1, 1.8/3279=1...(4) HG2 LYS 73 - HE3 LYS 13 OK 22 99 - 22 - 1.8/3279=1, 522/3.8=1, 537=1 HG3 LYS 13 - HE3 LYS 12 OK 21 81 - 26 - ~463=3, 1.8/525=2...(14) HG2 LYS 73 - HE2 LYS 24 OK 18 93 - 20 - 3265/3.7=1, 1.8/3279=1 HG2 LYS 73 - HE3 LYS 24 OK 18 93 - 20 - 3265/3.7=1, 1.8/3279=1 HG3 LYS 24 - HE2 LYS 73 OK 15 66 - 23 - 1103=2, ~3320=2...(8) HG3 LYS 24 - HE3 LYS 12 OK 15 66 - 23 - ~464=3, ~434=2, 1103=2...(8) HG3 LYS 66 - HE3 LYS 12 OK 13 79 - 16 - 3275/4.0=2, 2926/3.0=1...(7) HG2 LYS 66 - HE3 LYS 12 OK 12 76 - 16 - 3275/4.0=2, 2926/3.0=1...(7) HG2 LYS 47 - HE2 LYS 73 OK 10 76 - 14 - 3297/3.0=2, 3286/3.0=2 HG3 LYS 13 - HE2 LYS 73 lone 8 81 - 10 - HG3 LYS 66 - HE3 LYS 13 lone 7 99 - 7 - HG2 LYS 66 - HE3 LYS 13 lone 7 98 - 7 - HG3 LYS 66 - HE2 LYS 13 lone 7 98 - 7 - HG3 LYS 33 - HE3 LYS 13 lone 7 97 - 7 - 522/3.8=2 HG2 LYS 66 - HE2 LYS 13 lone 7 97 - 7 - HG3 LYS 33 - HE2 LYS 13 lone 7 96 - 7 - 522/3.8=2 HG2 LYS 73 - HE3 LYS 12 lone 7 78 - 9 - ~464=1, ~434=1 HG3 LYS 66 - HE3 LYS 24 lone 6 94 - 6 - HG3 LYS 66 - HE2 LYS 24 lone 6 94 - 6 - HG2 LYS 66 - HE2 LYS 24 lone 6 92 - 6 - HG2 LYS 66 - HE3 LYS 24 lone 6 92 - 6 - HG3 LYS 33 - HE3 LYS 12 lone 5 75 - 7 - HG3 LYS 33 - HE2 LYS 24 lone 4 90 - 5 - HG3 LYS 33 - HE3 LYS 24 lone 4 90 - 5 - HG3 LYS 66 - HE2 LYS 73 lone 4 79 - 5 - HG2 LYS 66 - HE2 LYS 73 lone 4 76 - 5 - HG2 LYS 47 - HE3 LYS 12 lone 3 76 - 4 - HG LEU 2 - HE3 LYS 13 lone 3 65 - 4 - HG LEU 2 - HE2 LYS 13 lone 2 64 - 4 - HB2 ARG 91 - HE3 LYS 13 lone 2 90 - 3 - HB2 ARG 91 - HE2 LYS 73 lone 2 66 - 3 - HB2 ARG 91 - HE2 LYS 13 lone 2 88 - 3 - HG LEU 2 - HE3 LYS 24 lone 2 58 - 4 - HG LEU 2 - HE2 LYS 24 lone 2 58 - 4 - HG LEU 57 - HE3 LYS 13 lone 2 99 - 2 - HG LEU 57 - HE2 LYS 13 lone 2 98 - 2 - HB2 ARG 91 - HE3 LYS 24 lone 2 82 - 2 - HB2 ARG 91 - HE2 LYS 24 lone 2 82 - 2 - HG LEU 57 - HE2 LYS 73 lone 1 79 - 2 - HB3 LEU 64 - HE3 LYS 13 lone 1 97 - 1 - HB3 LEU 64 - HE2 LYS 13 lone 1 96 - 1 - HB2 ARG 91 - HE3 LYS 12 lone 1 66 - 2 - HB3 LEU 64 - HE2 LYS 73 lone 1 75 - 2 - HG LEU 2 - HE3 LYS 12 lone 1 46 - 2 - HB3 LEU 64 - HE2 LYS 24 lone 1 90 - 1 - HB3 LEU 64 - HE3 LYS 24 lone 1 90 - 1 - HG LEU 57 - HE2 LYS 24 lone 1 94 - 1 - HG LEU 57 - HE3 LYS 24 lone 1 94 - 1 - HG3 LYS 33 - HE2 LYS 73 lone 1 75 - 1 - HG LEU 64 - HE3 LYS 13 lone 1 70 - 1 - HG LEU 64 - HE2 LYS 73 lone 1 49 - 1 - HG LEU 57 - HE3 LYS 12 lone 1 79 - 1 - HG LEU 64 - HE2 LYS 13 lone 1 68 - 1 - HG LEU 2 - HE2 LYS 73 lone 1 46 - 1 - HB3 LEU 64 - HE3 LYS 12 lone 1 75 - 1 - HG LEU 64 - HE3 LYS 24 lone 0 62 - 1 - HG LEU 64 - HE2 LYS 24 lone 0 62 - 1 - HG LEU 64 - HE3 LYS 12 lone 0 49 - 1 - Peak 578 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.59 A): 10 out of 102 assignments used, quality = 1.00: HD3 LYS 13 + HE3 LYS 13 OK 78 100 - 79 - 2.9=69, 524/3.8=3...(11) * HD2 LYS 13 + HE3 LYS 13 OK 78 100 - 78 - 2.9=69, 524/3.8=3...(11) HD2 LYS 13 + HE2 LYS 13 OK 78 99 - 78 - 2.9=69, 524/3.8=3...(11) HD3 LYS 13 + HE2 LYS 13 OK 78 99 - 78 - 2.9=69, 524/3.8=3...(11) HD3 LYS 24 + HE3 LYS 24 OK 73 94 - 78 - 3.0=66, 1102/3.7=3...(14) HD3 LYS 24 + HE2 LYS 24 OK 73 94 - 78 - 3.0=66, 1102/3.7=3...(14) HD2 LYS 24 + HE3 LYS 24 OK 72 93 - 78 - 3.0=66, 1102/3.7=3...(14) HD2 LYS 24 + HE2 LYS 24 OK 72 93 - 78 - 3.0=66, 1102/3.7=3...(14) HD3 LYS 12 + HE3 LYS 12 OK 64 81 - 79 - 3.0=66, 465/1.8=8...(13) HD2 LYS 12 + HE3 LYS 12 OK 64 81 - 79 - 3.0=66, 465/1.8=8...(13) HD3 LYS 12 - HE3 LYS 13 OK 21 100 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD2 LYS 12 - HE3 LYS 13 OK 21 100 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD3 LYS 12 - HE2 LYS 13 OK 21 99 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD2 LYS 12 - HE2 LYS 13 OK 21 99 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD3 LYS 12 - HE3 LYS 24 OK 18 96 - 19 - 3.0/468=2, 3.0/424=1 HD3 LYS 12 - HE2 LYS 24 OK 18 96 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 12 - HE2 LYS 24 OK 18 96 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 12 - HE3 LYS 24 OK 18 96 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 13 - HE3 LYS 12 OK 15 81 - 19 - 466/1.8=2, ~463=1...(5) HD3 LYS 13 - HE3 LYS 12 OK 15 80 - 19 - 466/1.8=2, ~463=1...(5) HD3 LYS 24 - HE3 LYS 13 OK 14 99 - 15 - 3.0/1104=1 HD2 LYS 24 - HE3 LYS 13 OK 14 99 - 15 - 3.0/1103=1 HD3 LYS 24 - HE2 LYS 13 OK 14 98 - 15 - 3.0/1103=1 HD2 LYS 24 - HE2 LYS 13 OK 14 98 - 15 - 3.0/1104=1 HD2 LYS 13 - HE3 LYS 24 OK 14 96 - 15 - 3.0/526=1 HD2 LYS 13 - HE2 LYS 24 OK 14 96 - 15 - 3.0/526=1 HD3 LYS 13 - HE3 LYS 24 OK 14 95 - 15 - 3.0/526=1 HD3 LYS 13 - HE2 LYS 24 OK 14 95 - 15 - 3.0/526=1 HD3 LYS 24 - HE3 LYS 12 OK 14 79 - 18 - 465/1.8=2, ~464=1...(5) HD2 LYS 24 - HE3 LYS 12 OK 14 78 - 18 - 465/1.8=2, ~464=1...(5) HG12 ILE 15 - HE3 LYS 12 OK 11 75 - 15 - ~8445=3, ~10392=2...(4) HD3 LYS 66 - HE3 LYS 12 poor 9 80 - 12 - 2947/4.0=2, 2944/4.8=1...(5) HD3 LYS 24 - HE2 LYS 73 lone 8 79 - 10 - HD2 LYS 24 - HE2 LYS 73 lone 7 78 - 10 - HD3 LYS 47 - HE3 LYS 13 lone 6 61 - 10 - HD3 LYS 47 - HE2 LYS 13 lone 6 60 - 10 - HD3 LYS 47 - HE3 LYS 24 poor 5 55 - 10 - HD3 LYS 47 - HE2 LYS 24 poor 5 55 - 10 - HG12 ILE 15 - HE3 LYS 13 lone 5 97 - 5 - 12025/3.8=1 HG12 ILE 15 - HE2 LYS 13 lone 5 96 - 5 - 12025/3.8=1 HD3 LYS 90 - HE3 LYS 12 lone 5 79 - 6 - HD2 LYS 13 - HE2 LYS 73 lone 5 81 - 6 - HD3 LYS 13 - HE2 LYS 73 lone 5 80 - 6 - HD3 LYS 90 - HE2 LYS 73 lone 5 79 - 6 - 3988/1.8=1 HD3 LYS 90 - HE2 LYS 24 lone 4 94 - 5 - HD3 LYS 90 - HE3 LYS 24 lone 4 94 - 5 - HD3 LYS 12 - HE2 LYS 73 lone 4 81 - 5 - HD2 LYS 12 - HE2 LYS 73 lone 4 81 - 5 - HD3 LYS 66 - HE3 LYS 13 lone 4 100 - 4 - HD3 LYS 66 - HE2 LYS 13 lone 4 99 - 4 - HG2 PRO 86 - HE2 LYS 24 lone 4 89 - 5 - HG2 PRO 86 - HE3 LYS 24 lone 4 89 - 5 - HD3 LYS 66 - HE2 LYS 24 lone 3 96 - 4 - HD3 LYS 66 - HE3 LYS 24 lone 3 96 - 4 - HB2 LEU 2 - HE3 LYS 13 lone 3 100 - 3 - HB2 LEU 2 - HE2 LYS 13 lone 3 99 - 3 - HD3 LYS 66 - HE2 LYS 73 lone 3 80 - 3 - HB2 LEU 2 - HE3 LYS 24 lone 3 96 - 3 - HB2 LEU 2 - HE2 LYS 24 lone 3 96 - 3 - HG2 PRO 86 - HE3 LYS 13 lone 3 96 - 3 - HG2 PRO 86 - HE2 LYS 13 lone 2 94 - 3 - HG LEU 70 - HE3 LYS 13 lone 2 100 - 2 - HG LEU 70 - HE2 LYS 13 lone 2 99 - 2 - HG12 ILE 15 - HE3 LYS 24 lone 2 90 - 2 - HG12 ILE 15 - HE2 LYS 24 lone 2 90 - 2 - HD3 LYS 90 - HE3 LYS 13 lone 2 99 - 2 - HD3 LYS 90 - HE2 LYS 13 lone 2 98 - 2 - HD3 LYS 47 - HE2 LYS 73 lone 2 43 - 4 - HB2 LEU 2 - HE3 LYS 12 lone 2 80 - 2 - HG LEU 70 - HE3 LYS 12 lone 2 80 - 2 - HB3 LEU 70 - HE2 LYS 73 lone 2 55 - 3 - ~10818=2 HB2 LEU 2 - HE2 LYS 73 lone 1 80 - 2 - HB3 LEU 70 - HE3 LYS 13 lone 1 77 - 2 - HB3 LEU 70 - HE2 LYS 13 lone 1 75 - 2 - HG2 PRO 86 - HE3 LYS 12 lone 1 73 - 2 - HG LEU 70 - HE2 LYS 73 lone 1 80 - 1 - HB3 LYS 40 - HE3 LYS 12 lone 1 49 - 2 - HB3 LEU 70 - HE3 LYS 12 lone 1 55 - 2 - HG LEU 70 - HE3 LYS 24 lone 1 95 - 1 - HG LEU 70 - HE2 LYS 24 lone 1 95 - 1 - HB3 ARG 91 - HE3 LYS 13 lone 1 65 - 1 - HB3 ARG 91 - HE2 LYS 13 lone 1 64 - 1 - HD3 LYS 47 - HE3 LYS 12 lone 1 43 - 2 - HB3 ARG 91 - HE2 LYS 73 lone 1 46 - 1 - HG12 ILE 15 - HE2 LYS 73 lone 1 75 - 1 - HB3 LEU 70 - HE2 LYS 24 lone 1 70 - 1 - HB3 LEU 70 - HE3 LYS 24 lone 1 70 - 1 - HB3 ARG 91 - HE2 LYS 24 lone 1 58 - 1 - HB3 ARG 91 - HE3 LYS 24 lone 1 58 - 1 - HB3 LYS 40 - HE3 LYS 13 lone 0 70 - 1 - HB3 LYS 40 - HE2 LYS 13 lone 0 68 - 1 - HG2 PRO 86 - HE2 LYS 73 lone 0 73 - 1 - HB3 ARG 91 - HE3 LYS 12 lone 0 46 - 1 - HB3 LYS 53 - HE3 LYS 12 lone 0 55 - 1 - HB3 LYS 53 - HE2 LYS 24 lone 0 70 - 0 - HB3 LYS 53 - HE3 LYS 24 lone 0 70 - 0 - HB3 LYS 40 - HE3 LYS 24 lone 0 62 - 0 - HB3 LYS 40 - HE2 LYS 24 lone 0 62 - 0 - HB3 LYS 40 - HE2 LYS 73 lone 0 49 - 1 - HB3 LYS 53 - HE3 LYS 13 lone 0 77 - 0 - HB3 LYS 53 - HE2 LYS 13 lone 0 75 - 0 - HB3 LYS 53 - HE2 LYS 73 lone 0 55 - 0 - Peak 579 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.59 A): 10 out of 90 assignments used, quality = 1.00: * HD3 LYS 13 + HE3 LYS 13 OK 79 100 - 79 - 2.9=69, 524/3.8=3...(11) HD2 LYS 13 + HE3 LYS 13 OK 78 100 - 78 - 2.9=69, 524/3.8=3...(11) HD3 LYS 13 + HE2 LYS 13 OK 78 99 - 79 - 2.9=69, 524/3.8=3...(11) HD2 LYS 13 + HE2 LYS 13 OK 78 99 - 78 - 2.9=69, 524/3.8=3...(11) HD3 LYS 24 + HE3 LYS 24 OK 71 92 - 78 - 3.0=66, 3.0/1103=3...(14) HD3 LYS 24 + HE2 LYS 24 OK 71 92 - 78 - 3.0=66, 3.0/1103=3...(14) HD2 LYS 24 + HE3 LYS 24 OK 70 90 - 78 - 3.0=66, 3.0/1103=3...(14) HD2 LYS 24 + HE2 LYS 24 OK 70 90 - 78 - 3.0=66, 3.0/1103=3...(14) HD3 LYS 12 + HE3 LYS 12 OK 63 80 - 79 - 3.0=66, 466/1.8=8...(13) HD2 LYS 12 + HE3 LYS 12 OK 63 80 - 79 - 3.0=66, 466/1.8=8...(13) HD3 LYS 12 - HE3 LYS 13 OK 21 100 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD2 LYS 12 - HE3 LYS 13 OK 21 100 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD3 LYS 12 - HE2 LYS 13 OK 21 99 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD2 LYS 12 - HE2 LYS 13 OK 21 99 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD3 LYS 12 - HE3 LYS 24 OK 18 95 - 19 - 3.0/468=2, 3.0/424=1 HD3 LYS 12 - HE2 LYS 24 OK 18 95 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 12 - HE2 LYS 24 OK 18 95 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 12 - HE3 LYS 24 OK 18 95 - 19 - 3.0/468=2, 3.0/424=1 HD3 LYS 13 - HE3 LYS 12 OK 15 81 - 19 - 466/1.8=2, ~463=1...(5) HD2 LYS 13 - HE3 LYS 12 OK 15 80 - 19 - 465/1.8=2, ~463=1...(5) HD3 LYS 24 - HE3 LYS 13 OK 14 98 - 15 - 3.0/1103=1 HD2 LYS 24 - HE3 LYS 13 OK 14 97 - 15 - 3.0/1104=1 HD3 LYS 13 - HE3 LYS 24 OK 14 96 - 15 - 3.0/526=1 HD3 LYS 13 - HE2 LYS 24 OK 14 96 - 15 - 3.0/526=1 HD3 LYS 24 - HE2 LYS 13 OK 14 97 - 15 - 3.0/1103=1 HD2 LYS 13 - HE3 LYS 24 OK 14 95 - 15 - 3.0/526=1 HD2 LYS 13 - HE2 LYS 24 OK 14 95 - 15 - 3.0/526=1 HD2 LYS 24 - HE2 LYS 13 OK 14 96 - 15 - 3.0/1103=1 HD3 LYS 24 - HE3 LYS 12 OK 13 76 - 18 - 465/1.8=2, ~464=1...(5) HD2 LYS 24 - HE3 LYS 12 OK 13 75 - 18 - 465/1.8=2, ~464=1...(5) HG12 ILE 15 - HE3 LYS 12 OK 10 71 - 15 - ~8445=3, ~10392=2...(4) HD3 LYS 66 - HE3 LYS 12 poor 9 80 - 12 - 2947/4.0=2, 2944/4.8=1...(5) HD3 LYS 24 - HE2 LYS 73 lone 7 76 - 10 - HD2 LYS 24 - HE2 LYS 73 lone 7 75 - 10 - HG12 ILE 15 - HE3 LYS 13 lone 5 94 - 5 - HD3 LYS 13 - HE2 LYS 73 lone 5 81 - 6 - HG12 ILE 15 - HE2 LYS 13 lone 5 92 - 5 - HD2 LYS 13 - HE2 LYS 73 lone 5 80 - 6 - HD3 LYS 90 - HE3 LYS 12 lone 5 76 - 6 - HD3 LYS 90 - HE2 LYS 73 lone 5 76 - 6 - 3988/1.8=1 HD3 LYS 90 - HE2 LYS 24 lone 4 92 - 5 - HD3 LYS 90 - HE3 LYS 24 lone 4 92 - 5 - HD3 LYS 66 - HE3 LYS 13 lone 4 100 - 4 - HD2 LYS 12 - HE2 LYS 73 lone 4 80 - 5 - HD3 LYS 12 - HE2 LYS 73 lone 4 80 - 5 - HD3 LYS 66 - HE2 LYS 13 lone 4 99 - 4 - HG2 PRO 86 - HE2 LYS 24 lone 4 84 - 4 - HG2 PRO 86 - HE3 LYS 24 lone 4 84 - 4 - HD3 LYS 66 - HE3 LYS 24 lone 3 96 - 4 - HD3 LYS 66 - HE2 LYS 24 lone 3 96 - 4 - HB2 LEU 2 - HE3 LYS 13 lone 3 100 - 3 - HB2 LEU 2 - HE2 LYS 13 lone 3 99 - 3 - HD3 LYS 66 - HE2 LYS 73 lone 3 80 - 3 - HB2 LEU 2 - HE3 LYS 24 lone 3 96 - 3 - HB2 LEU 2 - HE2 LYS 24 lone 3 96 - 3 - HG2 PRO 86 - HE3 LYS 13 lone 2 92 - 3 - HG2 PRO 86 - HE2 LYS 13 lone 2 90 - 3 - HG LEU 70 - HE3 LYS 13 lone 2 99 - 2 - HG LEU 70 - HE2 LYS 13 lone 2 98 - 2 - HD3 LYS 90 - HE3 LYS 13 lone 2 98 - 2 - HG12 ILE 15 - HE2 LYS 24 lone 2 87 - 2 - HG12 ILE 15 - HE3 LYS 24 lone 2 87 - 2 - HD3 LYS 90 - HE2 LYS 13 lone 2 97 - 2 - HB2 LEU 2 - HE3 LYS 12 lone 2 80 - 2 - HB3 LEU 70 - HE2 LYS 73 lone 2 61 - 3 - ~10818=2 HG LEU 70 - HE3 LYS 12 lone 2 79 - 2 - HB2 LEU 2 - HE2 LYS 73 lone 1 80 - 2 - HB3 LEU 70 - HE3 LYS 13 lone 1 84 - 2 - HB3 LEU 70 - HE2 LYS 13 lone 1 82 - 2 - HB3 LEU 70 - HE3 LYS 12 lone 1 61 - 2 - HG2 PRO 86 - HE3 LYS 12 lone 1 69 - 2 - HG LEU 70 - HE2 LYS 73 lone 1 79 - 1 - HG LEU 70 - HE2 LYS 24 lone 1 94 - 1 - HG LEU 70 - HE3 LYS 24 lone 1 94 - 1 - HB3 LYS 40 - HE3 LYS 12 lone 1 43 - 2 - HB3 LEU 70 - HE3 LYS 24 lone 1 76 - 1 - HB3 LEU 70 - HE2 LYS 24 lone 1 76 - 1 - HG12 ILE 15 - HE2 LYS 73 lone 1 71 - 1 - HG2 PRO 86 - HE2 LYS 73 lone 0 69 - 1 - HB3 LYS 40 - HE3 LYS 13 lone 0 61 - 1 - HB3 LYS 40 - HE2 LYS 13 lone 0 60 - 1 - HB3 LYS 53 - HE3 LYS 12 lone 0 49 - 1 - HB3 LYS 53 - HE3 LYS 24 lone 0 62 - 0 - HB3 LYS 53 - HE2 LYS 24 lone 0 62 - 0 - HB3 LYS 40 - HE3 LYS 24 lone 0 55 - 0 - HB3 LYS 40 - HE2 LYS 24 lone 0 55 - 0 - HB3 LYS 40 - HE2 LYS 73 lone 0 43 - 1 - HB3 LYS 53 - HE3 LYS 13 lone 0 70 - 0 - HB3 LYS 53 - HE2 LYS 13 lone 0 68 - 0 - HB3 LYS 53 - HE2 LYS 73 lone 0 49 - 0 - Peak 580 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HE3 LYS 13 + HE3 LYS 13 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 99 99 - 100 HE3 LYS 24 + HE3 LYS 24 OK 95 95 - 100 HE2 LYS 24 + HE2 LYS 24 OK 95 95 - 100 HE3 LYS 12 + HE3 LYS 12 OK 78 78 - 100 HE2 LYS 73 + HE2 LYS 73 OK 71 71 - 100 Reference assignment not found: HE2 LYS 13 - HE3 LYS 13 Peak 581 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HE3 LYS 13 + HE3 LYS 13 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 99 99 - 100 HE3 LYS 24 + HE3 LYS 24 OK 94 94 - 100 HE2 LYS 24 + HE2 LYS 24 OK 94 94 - 100 HE3 LYS 12 + HE3 LYS 12 OK 75 75 - 100 HE2 LYS 73 + HE2 LYS 73 OK 75 75 - 100 Peak 583 from cnoeabs.peaks (7.55, 3.68, 59.00 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 14 + HA LEU 14 OK 100 100 - 100 - 3.0=100 H ILE 76 - HA LEU 14 OK 39 96 - 41 - 6209/3.6=9, 602/3.0=7...(10) H GLU 88 - HA LEU 14 OK 13 61 - 22 - 4.5/9903=5, 618/4.0=2...(10) Peak 584 from cnoeabs.peaks (3.68, 3.68, 59.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 14 + HA LEU 14 OK 100 100 - 100 Peak 585 from cnoeabs.peaks (1.52, 3.68, 59.00 ppm; 3.47 A): 3 out of 11 assignments used, quality = 1.00: * HB2 LEU 14 + HA LEU 14 OK 100 100 - 100 - 3.0=100 HB ILE 7 + HA LEU 14 OK 49 100 - 50 - 595=8, 604/3.0=6...(22) HG12 ILE 56 + HA LEU 14 OK 47 94 - 50 - 1.8/589=6, 2.1/589=6...(21) HG LEU 6 - HA LEU 14 OK 27 100 - 27 - 2.1/588=4, 214/4.0=3...(12) HG LEU 2 - HA LEU 14 OK 22 97 - 23 - 604/3.0=2, 6198/3.0=2...(9) HG3 LYS 24 - HA LEU 14 OK 12 81 - 15 - 3.7/8422=6, 6198/3.0=1 HG3 ARG 30 - HA LEU 14 OK 11 96 - 11 - 604/3.0=1, 620/4.0=1...(4) HG3 LYS 33 - HA LEU 14 poor 7 65 - 10 - HB3 LEU 103 - HA LEU 14 lone 6 100 - 5 - HG2 ARG 79 - HA LEU 14 lone 5 87 - 6 - HG3 ARG 79 - HA LEU 14 lone 5 84 - 6 - Peak 586 from cnoeabs.peaks (1.90, 3.68, 59.00 ppm; 3.54 A): 3 out of 11 assignments used, quality = 1.00: * HB3 LEU 14 + HA LEU 14 OK 100 100 - 100 - 3.0=100 HB3 LYS 13 + HA LEU 14 OK 48 87 - 55 - 516/3.0=8, 3.0/8391=6...(18) HB ILE 8 + HA LEU 14 OK 46 97 - 47 - 629/4.0=4, 621/4.0=4...(23) HB2 LYS 13 - HA LEU 14 OK 44 81 - 55 - 516/3.0=7, 3.0/8391=6...(18) HG LEU 42 - HA LEU 14 OK 28 98 - 29 - 2.1/588=5, 1932/4.0=3...(15) HB2 ARG 19 - HA LEU 14 OK 11 92 - 12 - 1.8/592=2, 6212/3.6=2 HB3 LYS 33 - HA LEU 14 poor 10 84 - 12 - HB2 LYS 33 - HA LEU 14 poor 9 77 - 11 - HB VAL 54 - HA LEU 14 poor 8 70 - 11 - ~10209=1, 12126/4.0=1...(4) HB2 GLU 43 - HA LEU 14 lone 8 99 - 8 - HB2 LYS 20 - HA LEU 14 lone 7 84 - 8 - 1.8/592=2 Peak 587 from cnoeabs.peaks (1.35, 3.68, 59.00 ppm; 3.51 A): 3 out of 13 assignments used, quality = 0.93: * HG LEU 14 + HA LEU 14 OK 87 100 - 87 - 4.3=56, 2.1/619=17...(18) HG12 ILE 8 + HA LEU 14 OK 33 84 - 40 - 2.1/589=5, 2.9/586=4...(20) QB ALA 89 + HA LEU 14 OK 24 90 - 27 - 9937/3.0=5, 10971/8422=3...(11) HG2 LYS 39 - HA LEU 14 OK 20 99 - 21 - 10570/4.0=5, 1702/3.6=3...(7) HB3 LEU 2 - HA LEU 14 OK 14 70 - 21 - 3.0/585=2, ~56=2...(8) HB2 LYS 82 - HA LEU 14 OK 14 97 - 15 - 9757/4.0=2, 9757/4.0=2...(7) HG3 LYS 68 - HA LEU 14 OK 13 100 - 13 - 1.8/10788=2, 10570/4.0=2...(4) QB ALA 25 - HA LEU 14 OK 11 90 - 12 - 4.8/8422=5 HB2 LEU 70 - HA LEU 14 poor 9 61 - 15 - ~8430=3, 9543/4.0=2...(6) QB ALA 67 - HA LEU 14 poor 9 84 - 10 - 9527/4.0=1 HG2 LYS 94 - HA LEU 14 lone 8 90 - 9 - 2.9/593=2, 2.9/592=1 HG3 LYS 40 - HA LEU 14 lone 5 94 - 6 - HB3 LEU 27 - HA LEU 14 lone 5 98 - 5 - Peak 588 from cnoeabs.peaks (0.68, 3.68, 59.00 ppm; 3.53 A): 2 out of 5 assignments used, quality = 0.95: * QD1 LEU 14 + HA LEU 14 OK 92 100 - 92 - 4.0=69, 2.1/611=16...(21) QG2 VAL 58 + HA LEU 14 OK 42 100 - 43 - 607/3.0=6, 631/4.0=5...(14) QD1 LEU 42 - HA LEU 14 OK 26 90 - 29 - 607/3.0=4, 6214/3.6=3...(11) QD2 LEU 6 - HA LEU 14 OK 25 94 - 26 - 607/3.0=4, 2.1/585=3...(10) QD1 ILE 52 - HA LEU 14 lone 5 70 - 7 - Peak 589 from cnoeabs.peaks (0.71, 3.68, 59.00 ppm; 3.49 A): 3 out of 8 assignments used, quality = 0.98: * QD2 LEU 14 + HA LEU 14 OK 91 100 - 91 - 4.0=66, 2.1/619=17...(19) QD1 ILE 56 + HA LEU 14 OK 47 100 - 48 - 2.1/585=5, 608/3.0=5...(21) HG13 ILE 56 + HA LEU 14 OK 47 98 - 48 - 1.8/585=6, 2589/3.0=5...(20) QD1 ILE 8 - HA LEU 14 OK 42 100 - 42 - 608/3.0=5, 2.1/587=4...(17) QG1 VAL 58 - HA LEU 14 OK 33 87 - 38 - 2.1/588=7, 10224/3.0=5...(14) QG2 VAL 78 - HA LEU 14 lone 6 84 - 6 - ~10349=1 QD1 ILE 52 - HA LEU 14 lone 5 81 - 6 - QG1 VAL 5 - HA LEU 14 lone 2 65 - 3 - Peak 590 from cnoeabs.peaks (8.07, 3.68, 59.00 ppm; 3.88 A): 3 out of 6 assignments used, quality = 1.00: * H ILE 15 + HA LEU 14 OK 100 100 - 100 - 3.6=100 H GLU 17 + HA LEU 14 OK 57 90 - 64 - 6245=21, 4.0/593=12...(14) H LYS 13 + HA LEU 14 OK 57 100 - 57 - 6182/3.0=23, 8389=8...(13) H GLU 75 - HA LEU 14 OK 30 100 - 30 - 7245/3.0=8, 4.6/583=5...(9) H LYS 39 - HA LEU 14 OK 17 94 - 18 - 8947/4.0=3, 609/3.0=3...(7) H SER 102 - HA LEU 14 lone 4 77 - 5 - Peak 591 from cnoeabs.peaks (8.06, 3.68, 59.00 ppm; 4.04 A): 3 out of 7 assignments used, quality = 0.98: H ILE 15 + HA LEU 14 OK 90 90 - 100 - 3.6=100 * H GLU 17 + HA LEU 14 OK 67 100 - 67 - 6245=26, 4.0/593=13...(14) H LYS 13 + HA LEU 14 OK 45 87 - 52 - 6182/3.0=19, 2.9/8391=8...(13) H GLU 75 - HA LEU 14 OK 23 84 - 28 - 7245/3.0=6, 4.6/583=6...(9) H LYS 90 - HA LEU 14 OK 20 70 - 28 - 3.6/587=3, 9943/4.0=2...(13) H LYS 39 - HA LEU 14 poor 9 57 - 15 - 633/4.0=2, 6203/3.0=2...(7) H SER 102 - HA LEU 14 lone 6 99 - 6 - Peak 592 from cnoeabs.peaks (1.94, 3.68, 59.00 ppm; 3.40 A): 3 out of 11 assignments used, quality = 0.58: * HB2 GLU 17 + HA LEU 14 OK 47 100 - 48 - 1.8/593=16, 4.0/6245=9...(10) HB VAL 32 + HA LEU 14 OK 11 100 - 11 - 10518/4.0=3, 10338/4.3=2...(4) HB2 MET 1 + HA LEU 14 OK 10 100 - 10 - 1.8/593=4, 11/593=1 HG3 GLU 88 - HA LEU 14 lone 7 100 - 7 - 9914/3571=2, 4.9/583=1 HB3 ARG 19 - HA LEU 14 lone 7 87 - 8 - 1.8/586=1 HB3 LYS 20 - HA LEU 14 lone 7 97 - 7 - HB2 LYS 94 - HA LEU 14 lone 4 61 - 7 - 1.8/593=2 HB3 LYS 47 - HA LEU 14 lone 3 70 - 5 - ~6192=1 HB3 LYS 73 - HA LEU 14 lone 3 77 - 3 - HB2 LYS 73 - HA LEU 14 lone 2 73 - 3 - HB3 ARG 46 - HA LEU 14 lone 2 65 - 2 - Peak 593 from cnoeabs.peaks (2.01, 3.68, 59.00 ppm; 3.77 A): 3 out of 9 assignments used, quality = 0.65: * HB3 GLU 17 + HA LEU 14 OK 56 100 - 56 - 1.8/592=19, 4.0/6245=11...(11) HB3 MET 1 + HA LEU 14 OK 13 99 - 13 - 1.8/592=4, 739/592=2 QE MET 74 + HA LEU 14 OK 11 99 - 11 - 9605/4.0=3, 3373/3.6=3 HB3 LYS 94 - HA LEU 14 lone 6 73 - 8 - 1.8/592=2, 4.0/7501=1, 2.9/587=1 HB3 GLU 44 - HA LEU 14 lone 5 98 - 5 - HB2 GLU 44 - HA LEU 14 lone 5 98 - 5 - HB2 GLU 35 - HA LEU 14 lone 5 100 - 5 - HB2 GLN 50 - HA LEU 14 lone 3 70 - 5 - HB2 GLU 62 - HA LEU 14 lone 2 94 - 2 - Peak 594 from cnoeabs.peaks (7.55, 1.52, 41.23 ppm; 3.53 A): 2 out of 6 assignments used, quality = 0.96: * H LEU 14 + HB2 LEU 14 OK 93 100 - 93 - 3.8=78, 602/1.8=23...(19) H ILE 76 + HB2 LEU 14 OK 41 96 - 43 - 602/1.8=10, 626/3.1=8...(9) H LEU 14 - HB ILE 7 OK 34 91 - 38 - 6198=8, 3.0/595=5...(10) H ILE 76 - HB ILE 7 OK 20 83 - 23 - 7255/2.9=4, 7258/2.1=4...(8) H GLU 88 - HB2 LEU 14 poor 9 61 - 15 - 618/3.1=3, 583/3.0=2...(6) H GLU 88 - HB ILE 7 lone 2 50 - 4 - Peak 595 from cnoeabs.peaks (3.68, 1.52, 41.23 ppm; 3.72 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 14 + HB2 LEU 14 OK 100 100 - 100 - 3.0=100 HB THR 80 + HB2 LEU 14 OK 66 100 - 66 - 603/1.8=12, 619/3.1=11...(17) HA LEU 14 + HB ILE 7 OK 50 91 - 55 - 585=8, 3.0/604=6...(22) HA LYS 90 - HB2 LEU 14 OK 26 84 - 31 - 603/1.8=5, 619/3.1=4...(10) HB THR 80 - HB ILE 7 OK 17 90 - 18 - ~10373=7, 2.1/12206=2 HA LYS 90 - HB ILE 7 lone 6 71 - 8 - Peak 596 from cnoeabs.peaks (1.52, 1.52, 41.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 14 + HB2 LEU 14 OK 100 100 - 100 HB ILE 7 + HB ILE 7 OK 91 91 - 100 Peak 597 from cnoeabs.peaks (1.90, 1.52, 41.23 ppm; 3.04 A): 4 out of 22 assignments used, quality = 1.00: * HB3 LEU 14 + HB2 LEU 14 OK 100 100 - 100 - 1.8=100 HB3 LEU 14 + HB ILE 7 OK 52 91 - 57 - 604=9, 3.1/628=4...(31) HB ILE 8 + HB2 LEU 14 OK 50 97 - 52 - 293/3.0=4, 629/3.1=4...(29) HB ILE 8 + HB ILE 7 OK 48 85 - 56 - 289/4.5=6, 8299/3.0=6...(32) HB3 LYS 13 - HB2 LEU 14 OK 30 87 - 35 - 4.6/594=5, 586/3.0=3...(19) HB2 LYS 13 - HB2 LEU 14 OK 28 81 - 34 - 4.6/594=5, 586/3.0=3...(19) HG LEU 42 - HB2 LEU 14 OK 27 98 - 28 - 1932/3.1=3, ~607=3...(14) HB VAL 54 - HB ILE 7 OK 12 58 - 21 - 2.1/10209=5, ~10210=5...(6) HB2 ARG 19 - HB2 LEU 14 poor 10 92 - 10 - 10439/8276=1, 6212/4.4=1 HB2 ARG 19 - HB ILE 7 poor 10 79 - 12 - 8514/2.1=2, ~8516=2...(6) HG LEU 42 - HB ILE 7 poor 9 87 - 10 - HB3 LYS 13 - HB ILE 7 poor 9 74 - 12 - 4.6/594=2, ~10394=1 HB VAL 54 - HB2 LEU 14 poor 9 70 - 13 - 2.1/10209=3, 2.1/10207=2...(4) HB2 GLU 43 - HB2 LEU 14 lone 8 99 - 8 - HB3 LYS 33 - HB2 LEU 14 lone 8 84 - 10 - HB2 LYS 13 - HB ILE 7 poor 8 68 - 12 - 4.6/594=2, ~10394=1 HB2 LYS 33 - HB2 LEU 14 lone 7 77 - 9 - HB2 LYS 20 - HB2 LEU 14 lone 5 84 - 5 - HB3 LYS 33 - HB ILE 7 lone 3 71 - 4 - HB2 GLU 43 - HB ILE 7 lone 3 89 - 3 - HB2 LYS 33 - HB ILE 7 lone 3 64 - 4 - HB2 LYS 20 - HB ILE 7 lone 2 71 - 3 - Peak 598 from cnoeabs.peaks (1.35, 1.52, 41.23 ppm; 3.51 A): 4 out of 26 assignments used, quality = 1.00: * HG LEU 14 + HB2 LEU 14 OK 100 100 - 100 - 3.0=100 HG LEU 14 + HB ILE 7 OK 62 91 - 68 - 612=9, 2.1/628=7...(29) HG12 ILE 8 + HB2 LEU 14 OK 49 84 - 58 - 606/1.8=5, 630/3.1=4...(32) HG12 ILE 8 + HB ILE 7 OK 48 71 - 68 - 6096/4.5=6, 8312/3.2=6...(29) QB ALA 89 - HB2 LEU 14 OK 34 90 - 38 - ~8402=5, 9937/3.8=4...(14) HB3 LEU 2 - HB ILE 7 OK 34 58 - 59 - 1.8/56=7, 12172/3.2=6...(32) HG2 LYS 39 - HB2 LEU 14 OK 25 99 - 25 - 10570/3.1=6, 606/1.8=2...(8) HB2 LYS 82 - HB2 LEU 14 OK 25 97 - 26 - 9757/3.1=3, 9757/3.1=3...(12) HB3 LEU 2 - HB2 LEU 14 OK 24 70 - 35 - 1.8/56=4, 3.1/88=3...(15) HB2 LEU 70 - HB2 LEU 14 OK 18 61 - 30 - ~9544=6, ~8430=4...(11) HG2 LYS 39 - HB ILE 7 OK 17 88 - 19 - 10569/2.1=3, 12172/3.2=2...(6) HG3 LYS 68 - HB2 LEU 14 OK 14 100 - 14 - 10570/3.1=2, ~10788=2...(5) HB2 LYS 82 - HB ILE 7 OK 11 85 - 13 - ~8279=2, ~8280=2...(5) QB ALA 25 - HB2 LEU 14 OK 11 90 - 12 - ~10413=1, 622/3.1=1...(6) QB ALA 67 - HB2 LEU 14 OK 11 84 - 13 - 9527/3.1=2, 606/1.8=1, 622/3.1=1 HG3 LYS 40 - HB2 LEU 14 lone 7 94 - 8 - HB3 LEU 27 - HB2 LEU 14 lone 7 98 - 7 - HG2 LYS 94 - HB2 LEU 14 lone 6 90 - 7 - HB3 LEU 27 - HB ILE 7 lone 5 87 - 6 - ~10488=1 QB ALA 89 - HB ILE 7 lone 5 77 - 7 - ~9929=1, 12172/3.2=1 HG3 LYS 68 - HB ILE 7 lone 5 91 - 5 - QB ALA 67 - HB ILE 7 lone 4 71 - 6 - ~9521=1 HB2 LEU 70 - HB ILE 7 lone 4 50 - 7 - 6096/4.5=1 HG3 LYS 40 - HB ILE 7 lone 3 81 - 4 - QB ALA 25 - HB ILE 7 lone 3 77 - 3 - HG2 LYS 94 - HB ILE 7 lone 2 77 - 2 - Peak 599 from cnoeabs.peaks (0.68, 1.52, 41.23 ppm; 3.24 A): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 14 + HB2 LEU 14 OK 100 100 - 100 - 3.1=100 QD1 LEU 14 + HB ILE 7 OK 60 91 - 66 - 620=9, 12014/2.9=8...(32) QG2 VAL 58 + HB2 LEU 14 OK 52 100 - 52 - 607/1.8=7, 615/3.0=7...(21) QD2 LEU 6 - HB2 LEU 14 OK 36 94 - 38 - 221=5, 607/1.8=4...(19) QD2 LEU 6 - HB ILE 7 OK 31 81 - 39 - 6076/4.0=7, 221=5...(14) QD1 LEU 42 - HB2 LEU 14 OK 30 90 - 34 - 607/1.8=5, 615/3.0=3...(15) QG2 VAL 58 - HB ILE 7 OK 18 91 - 20 - 2666/4.5=5, ~10702=2...(8) QD1 LEU 42 - HB ILE 7 OK 11 77 - 15 - 6076/4.0=2, 12014/2.9=2...(4) QD1 ILE 52 - HB2 LEU 14 lone 7 70 - 9 - QD1 ILE 52 - HB ILE 7 lone 5 58 - 8 - 6076/4.0=3, 10640/2.9=1 Peak 600 from cnoeabs.peaks (0.71, 1.52, 41.23 ppm; 3.21 A): 6 out of 16 assignments used, quality = 1.00: * QD2 LEU 14 + HB2 LEU 14 OK 100 100 - 100 - 3.1=100 HG13 ILE 56 + HB2 LEU 14 OK 65 98 - 66 - 2589=8, ~11079=6...(35) QD1 ILE 56 + HB2 LEU 14 OK 65 100 - 65 - ~11079=7, 608/1.8=6...(33) QD2 LEU 14 + HB ILE 7 OK 58 91 - 64 - 12015/2.9=10, 628=10...(30) QD1 ILE 8 + HB ILE 7 OK 57 91 - 62 - 10272/3.2=6, 324/2.1=5...(28) QD1 ILE 8 + HB2 LEU 14 OK 54 100 - 55 - 608/1.8=5, 2597=4...(30) QG1 VAL 58 - HB2 LEU 14 OK 43 87 - 50 - 10224/1.8=6, 2670/3.1=5...(23) QD1 ILE 56 - HB ILE 7 OK 32 91 - 36 - 2.1/2589=3, 10272/3.2=3...(17) HG13 ILE 56 - HB ILE 7 OK 31 87 - 36 - 2589=5, 3.9/8254=3...(19) QG1 VAL 58 - HB ILE 7 OK 14 74 - 19 - 2672/4.5=4, 10272/3.2=2...(7) QG2 VAL 78 - HB ILE 7 OK 10 71 - 14 - 10292/2.9=4, ~10290=2...(5) QG2 VAL 78 - HB2 LEU 14 lone 7 84 - 8 - ~10349=1 QD1 ILE 52 - HB2 LEU 14 lone 7 81 - 8 - QG1 VAL 5 - HB ILE 7 poor 6 54 - 10 - 4.1/6066=2, 4.0/8242=2...(4) QD1 ILE 52 - HB ILE 7 lone 6 68 - 8 - 2381/4.0=2, 10640/2.9=1 QG1 VAL 5 - HB2 LEU 14 lone 4 65 - 6 - 4.1/6066=1 Peak 601 from cnoeabs.peaks (8.07, 1.52, 41.23 ppm; 3.96 A): 3 out of 12 assignments used, quality = 0.99: * H ILE 15 + HB2 LEU 14 OK 94 100 - 94 - 4.4=75, 6209/3.8=17...(21) H LYS 13 + HB2 LEU 14 OK 57 100 - 57 - 6182/3.8=19, 8389/3.0=9...(15) H ILE 15 + HB ILE 7 OK 55 91 - 61 - ~8261=12, 6211=11...(17) H GLU 17 - HB2 LEU 14 OK 37 90 - 42 - 6245/3.0=13, 609/1.8=6...(9) H GLU 75 - HB2 LEU 14 OK 30 100 - 30 - 7245/3.8=7, 609/1.8=4...(8) H LYS 39 - HB2 LEU 14 OK 22 94 - 24 - 633/3.1=4, 609/1.8=4...(9) H LYS 13 - HB ILE 7 OK 16 91 - 18 - 4.6/594=4, 10379/3.2=3 H GLU 17 - HB ILE 7 poor 10 77 - 13 - 10379/3.2=3, 4.6/8474=2...(4) H LYS 39 - HB ILE 7 lone 8 81 - 10 - 10379/3.2=2, 4.0/8277=1 H GLU 75 - HB ILE 7 lone 8 91 - 9 - 4.6/594=2, ~9616=1 H SER 102 - HB2 LEU 14 lone 5 77 - 6 - H SER 102 - HB ILE 7 lone 2 64 - 3 - Peak 602 from cnoeabs.peaks (7.55, 1.90, 41.23 ppm; 3.61 A): 2 out of 3 assignments used, quality = 0.97: * H LEU 14 + HB3 LEU 14 OK 95 100 - 95 - 3.8=83, 594/1.8=18...(18) H ILE 76 + HB3 LEU 14 OK 41 96 - 42 - 626/3.1=8, 594/1.8=8...(9) H GLU 88 - HB3 LEU 14 poor 9 61 - 15 - 618/3.1=3, 583/3.0=2...(6) Peak 603 from cnoeabs.peaks (3.68, 1.90, 41.23 ppm; 3.98 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 14 + HB3 LEU 14 OK 100 100 - 100 - 3.0=100 HB THR 80 + HB3 LEU 14 OK 68 100 - 68 - 619/3.1=12, 611/3.0=12...(15) HA LYS 90 - HB3 LEU 14 OK 29 84 - 34 - 619/3.1=5, 611/3.0=5...(12) Peak 604 from cnoeabs.peaks (1.52, 1.90, 41.23 ppm; 3.13 A): 3 out of 11 assignments used, quality = 1.00: * HB2 LEU 14 + HB3 LEU 14 OK 100 100 - 100 - 1.8=100 HB ILE 7 + HB3 LEU 14 OK 58 100 - 59 - 597=6, 628/3.1=5...(31) HG12 ILE 56 + HB3 LEU 14 OK 51 94 - 55 - ~11079=6, 1.8/608=6...(26) HG LEU 6 - HB3 LEU 14 OK 29 100 - 29 - 2.1/607=4, 214/3.1=3...(15) HG LEU 2 - HB3 LEU 14 OK 25 97 - 25 - 71/3.0=2, 628/3.1=2...(13) HG3 ARG 30 - HB3 LEU 14 OK 15 96 - 16 - ~8720=2, 620/3.1=1...(7) HG3 LYS 24 - HB3 LEU 14 poor 8 81 - 10 - 3.7/8420=3 HG3 LYS 33 - HB3 LEU 14 poor 7 65 - 11 - 3.0/8430=1, 3.0/8430=1 HB3 LEU 103 - HB3 LEU 14 lone 5 100 - 5 - HG2 ARG 79 - HB3 LEU 14 lone 5 87 - 6 - HG3 ARG 79 - HB3 LEU 14 lone 5 84 - 6 - Peak 605 from cnoeabs.peaks (1.90, 1.90, 41.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 14 + HB3 LEU 14 OK 100 100 - 100 Peak 606 from cnoeabs.peaks (1.35, 1.90, 41.23 ppm; 3.82 A): 2 out of 13 assignments used, quality = 1.00: * HG LEU 14 + HB3 LEU 14 OK 100 100 - 100 - 3.0=100 HG12 ILE 8 + HB3 LEU 14 OK 57 84 - 69 - 307=7, 2.1/608=6...(35) QB ALA 89 - HB3 LEU 14 OK 39 90 - 43 - ~8402=7, 9937/3.8=5...(15) HG2 LYS 39 - HB3 LEU 14 OK 28 99 - 29 - 10570/3.1=7, 1702/4.4=3...(10) HB2 LYS 82 - HB3 LEU 14 OK 28 97 - 29 - 9757/3.1=4, 9757/3.1=4...(14) HB3 LEU 2 - HB3 LEU 14 OK 24 70 - 35 - ~56=3, ~12275=3...(18) HB2 LEU 70 - HB3 LEU 14 OK 22 61 - 37 - ~9544=7, 1.8/8430=6...(16) HG3 LYS 68 - HB3 LEU 14 OK 16 100 - 16 - 10570/3.1=3, ~10788=2...(6) QB ALA 25 - HB3 LEU 14 OK 14 90 - 16 - 4.8/8420=4, ~10413=2...(5) QB ALA 67 - HB3 LEU 14 OK 12 84 - 15 - 9527/3.1=2, 9528/10673=1...(5) HG3 LYS 40 - HB3 LEU 14 OK 10 94 - 11 - 3.8/1780=2 HB3 LEU 27 - HB3 LEU 14 lone 8 98 - 8 - HG2 LYS 94 - HB3 LEU 14 lone 7 90 - 8 - 587/3.0=1 Peak 607 from cnoeabs.peaks (0.68, 1.90, 41.23 ppm; 3.62 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 14 + HB3 LEU 14 OK 100 100 - 100 - 3.1=100 QG2 VAL 58 + HB3 LEU 14 OK 59 100 - 60 - 615/3.0=8, 631/3.1=8...(22) QD1 LEU 42 - HB3 LEU 14 OK 41 90 - 46 - 1939=6, 2.1/1947=5...(22) QD2 LEU 6 - HB3 LEU 14 OK 35 94 - 37 - 599/1.8=4, 615/3.0=4...(18) QD1 ILE 52 - HB3 LEU 14 poor 8 70 - 11 - Peak 608 from cnoeabs.peaks (0.71, 1.90, 41.23 ppm; 3.43 A): 5 out of 8 assignments used, quality = 1.00: * QD2 LEU 14 + HB3 LEU 14 OK 100 100 - 100 - 3.1=100 QD1 ILE 56 + HB3 LEU 14 OK 68 100 - 68 - ~11079=8, 323=6...(34) HG13 ILE 56 + HB3 LEU 14 OK 68 98 - 69 - ~11079=8, 2589/1.8=7...(35) QD1 ILE 8 + HB3 LEU 14 OK 60 100 - 61 - 323=6, 2.1/307=6...(33) QG1 VAL 58 + HB3 LEU 14 OK 49 87 - 57 - 2.1/607=8, 10224=6...(23) QG2 VAL 78 - HB3 LEU 14 lone 8 84 - 9 - 2.1/10349=2 QD1 ILE 52 - HB3 LEU 14 lone 7 81 - 9 - QG1 VAL 5 - HB3 LEU 14 lone 3 65 - 4 - Peak 609 from cnoeabs.peaks (8.07, 1.90, 41.23 ppm; 3.92 A): 2 out of 6 assignments used, quality = 0.97: * H ILE 15 + HB3 LEU 14 OK 94 100 - 94 - 4.4=73, 6209/3.8=17...(19) H LYS 13 + HB3 LEU 14 OK 57 100 - 57 - 6182/3.8=19, 8389/3.0=9...(14) H GLU 17 - HB3 LEU 14 OK 37 90 - 42 - 6245/3.0=13, 633/3.1=4...(11) H GLU 75 - HB3 LEU 14 OK 28 100 - 28 - 7245/3.8=7, 4.6/602=6...(7) H LYS 39 - HB3 LEU 14 OK 22 94 - 24 - 633/3.1=4, 617/3.0=3...(9) H SER 102 - HB3 LEU 14 lone 4 77 - 6 - Peak 610 from cnoeabs.peaks (7.55, 1.35, 28.11 ppm; 4.53 A): 2 out of 3 assignments used, quality = 0.99: * H LEU 14 + HG LEU 14 OK 98 100 - 98 - 4.9=79, 602/3.0=26...(19) H ILE 76 + HG LEU 14 OK 52 96 - 55 - 626/2.1=14, 618/2.1=13...(12) H GLU 88 - HG LEU 14 OK 20 61 - 32 - 4.6/8404=9, 618/2.1=6...(8) Peak 611 from cnoeabs.peaks (3.68, 1.35, 28.11 ppm; 3.64 A): 2 out of 3 assignments used, quality = 0.97: * HA LEU 14 + HG LEU 14 OK 90 100 - 90 - 4.3=62, 619/2.1=18...(19) HB THR 80 + HG LEU 14 OK 67 100 - 67 - 619/2.1=13, ~10403=13...(15) HA LYS 90 - HG LEU 14 OK 26 84 - 31 - 619/2.1=5, 627/2.1=5...(9) Peak 612 from cnoeabs.peaks (1.52, 1.35, 28.11 ppm; 3.47 A): 3 out of 11 assignments used, quality = 1.00: * HB2 LEU 14 + HG LEU 14 OK 100 100 - 100 - 3.0=100 HB ILE 7 + HG LEU 14 OK 65 100 - 66 - 628/2.1=7, 620/2.1=7...(29) HG12 ILE 56 + HG LEU 14 OK 61 94 - 65 - 3.2/11079=17...(25) HG LEU 6 - HG LEU 14 OK 34 100 - 34 - 214/2.1=5, 2.1/615=5...(15) HG LEU 2 - HG LEU 14 OK 30 97 - 31 - 628/2.1=3, 620/2.1=3...(13) HG3 ARG 30 - HG LEU 14 OK 20 96 - 21 - ~8720=3, 620/2.1=2...(8) HG3 LYS 24 - HG LEU 14 OK 10 81 - 13 - 3.7/8407=5, 620/2.1=1, 628/2.1=1 HG2 ARG 79 - HG LEU 14 lone 7 87 - 8 - HG3 ARG 79 - HG LEU 14 lone 7 84 - 8 - HG3 LYS 33 - HG LEU 14 lone 7 65 - 10 - HB3 LEU 103 - HG LEU 14 lone 6 100 - 5 - Peak 613 from cnoeabs.peaks (1.90, 1.35, 28.11 ppm; 3.77 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LEU 14 + HG LEU 14 OK 100 100 - 100 - 3.0=100 HB ILE 8 + HG LEU 14 OK 69 97 - 72 - 293=8, 629/2.1=8...(38) HB3 LYS 13 - HG LEU 14 OK 40 87 - 46 - 4.6/610=9, 621/2.1=5...(16) HG LEU 42 - HG LEU 14 OK 37 98 - 38 - 2.1/615=5, 1932/2.1=5...(17) HB2 LYS 13 - HG LEU 14 OK 36 81 - 45 - 4.6/610=9, 621/2.1=4...(16) HB2 GLU 43 - HG LEU 14 OK 13 99 - 13 - ~10607=2, 629/2.1=2...(4) HB2 ARG 19 - HG LEU 14 OK 12 92 - 13 - 629/2.1=2, 621/2.1=1 HB3 LYS 33 - HG LEU 14 poor 10 84 - 11 - 621/2.1=1, 629/2.1=1 HB VAL 54 - HG LEU 14 poor 10 70 - 14 - 12126/2.1=3, ~10209=2, ~10207=2 HB2 LYS 33 - HG LEU 14 poor 9 77 - 11 - HB2 LYS 20 - HG LEU 14 lone 6 84 - 7 - Peak 614 from cnoeabs.peaks (1.35, 1.35, 28.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 14 + HG LEU 14 OK 100 100 - 100 Peak 615 from cnoeabs.peaks (0.68, 1.35, 28.11 ppm; 3.25 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 14 + HG LEU 14 OK 100 100 - 100 - 2.1=100 QG2 VAL 58 + HG LEU 14 OK 58 100 - 58 - 631/2.1=9, 9378=8...(21) QD2 LEU 6 - HG LEU 14 OK 29 94 - 31 - 631/2.1=4, 607/3.0=3...(14) QD1 LEU 42 - HG LEU 14 OK 28 90 - 31 - 631/2.1=4, 607/3.0=4...(14) QD1 ILE 52 - HG LEU 14 lone 6 70 - 9 - Peak 616 from cnoeabs.peaks (0.71, 1.35, 28.11 ppm; 3.12 A): 4 out of 8 assignments used, quality = 1.00: * QD2 LEU 14 + HG LEU 14 OK 100 100 - 100 - 2.1=100 QD1 ILE 56 + HG LEU 14 OK 60 100 - 60 - 3.0/11079=13...(29) HG13 ILE 56 + HG LEU 14 OK 59 98 - 60 - 3.2/11079=13, 10677=8...(28) QD1 ILE 8 + HG LEU 14 OK 50 100 - 51 - 624/2.1=5, 325=5...(25) QG1 VAL 58 - HG LEU 14 OK 42 87 - 48 - 2.1/615=8, 2670/2.1=7...(21) QG2 VAL 78 - HG LEU 14 lone 6 84 - 7 - QD1 ILE 52 - HG LEU 14 lone 6 81 - 7 - QG1 VAL 5 - HG LEU 14 lone 3 65 - 5 - Peak 617 from cnoeabs.peaks (8.07, 1.35, 28.11 ppm; 4.67 A): 2 out of 6 assignments used, quality = 0.97: * H ILE 15 + HG LEU 14 OK 92 100 - 92 - 3.0/8409=25, ~8413=24...(20) H LYS 13 + HG LEU 14 OK 64 100 - 64 - 6182/4.9=19, 8389/4.3=11...(15) H GLU 17 - HG LEU 14 OK 45 90 - 50 - 6245/4.3=13, 4.6/10410=9...(10) H GLU 75 - HG LEU 14 OK 35 100 - 35 - 4.6/610=8, 7245/4.9=7...(7) H LYS 39 - HG LEU 14 OK 35 94 - 37 - 8947/2.1=6, 625/2.1=4...(12) H SER 102 - HG LEU 14 lone 5 77 - 7 - Peak 618 from cnoeabs.peaks (7.55, 0.68, 25.64 ppm; 4.04 A): 2 out of 3 assignments used, quality = 0.97: * H LEU 14 + QD1 LEU 14 OK 94 100 - 94 - 4.8=60, 602/3.1=21...(22) H ILE 76 + QD1 LEU 14 OK 53 96 - 55 - 626/2.1=12, 610/2.1=9...(15) H GLU 88 - QD1 LEU 14 OK 22 61 - 36 - 4.6/8402=12, 4.5/9900=6...(11) Peak 619 from cnoeabs.peaks (3.68, 0.68, 25.64 ppm; 3.42 A): 2 out of 3 assignments used, quality = 0.96: * HA LEU 14 + QD1 LEU 14 OK 89 100 - 89 - 4.0=62, 611/2.1=15...(20) HB THR 80 + QD1 LEU 14 OK 64 100 - 64 - 2.1/10402=20, ~10403=11...(14) HA LYS 90 - QD1 LEU 14 OK 26 84 - 31 - 611/2.1=4, 627/2.1=4...(11) Peak 620 from cnoeabs.peaks (1.52, 0.68, 25.64 ppm; 3.20 A): 3 out of 11 assignments used, quality = 1.00: * HB2 LEU 14 + QD1 LEU 14 OK 100 100 - 100 - 3.1=100 HB ILE 7 + QD1 LEU 14 OK 64 100 - 64 - 599=8, 2.9/12014=8...(32) HG12 ILE 56 + QD1 LEU 14 OK 57 94 - 61 - ~11079=8, 1.8/624=7...(30) HG LEU 6 - QD1 LEU 14 OK 38 100 - 38 - 214=6, 2.1/230=4...(17) HG LEU 2 - QD1 LEU 14 OK 27 97 - 28 - 71/2.1=3, 628/2.1=3...(11) HG3 ARG 30 - QD1 LEU 14 OK 22 96 - 23 - 1.8/8720=4, 2.9/8718=3...(8) HG3 LYS 24 - QD1 LEU 14 OK 11 81 - 14 - 3.7/8411=4, 5.1/8602=1 HG2 ARG 79 - QD1 LEU 14 lone 7 87 - 8 - HG3 ARG 79 - QD1 LEU 14 lone 7 84 - 8 - HG3 LYS 33 - QD1 LEU 14 lone 6 65 - 9 - HB3 LEU 103 - QD1 LEU 14 lone 5 100 - 5 - Peak 621 from cnoeabs.peaks (1.90, 0.68, 25.64 ppm; 3.14 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LEU 14 + QD1 LEU 14 OK 100 100 - 100 - 3.1=100 HB ILE 8 + QD1 LEU 14 OK 53 97 - 55 - 629/2.1=6, 293/2.1=5...(30) HB3 LYS 13 - QD1 LEU 14 OK 34 87 - 40 - 4.6/618=6, 3.0/12014=4...(16) HB2 LYS 13 - QD1 LEU 14 OK 31 81 - 39 - 4.6/618=6, 3.0/12014=4...(16) HG LEU 42 - QD1 LEU 14 OK 30 98 - 31 - 1932=3, 629/2.1=3...(15) HB2 GLU 43 - QD1 LEU 14 lone 10 99 - 10 - ~10607=1, 4.0/6690=1, 629/2.1=1 HB2 ARG 19 - QD1 LEU 14 poor 10 92 - 10 - 10439/12032=2, 629/2.1=1 HB3 LYS 33 - QD1 LEU 14 lone 8 84 - 9 - HB VAL 54 - QD1 LEU 14 poor 7 70 - 10 - 12126/2.1=2, ~10209=1 HB2 LYS 33 - QD1 LEU 14 lone 7 77 - 8 - HB2 LYS 20 - QD1 LEU 14 lone 5 84 - 6 - 4.6/10413=1 Peak 622 from cnoeabs.peaks (1.35, 0.68, 25.64 ppm; 2.73 A): 1 out of 13 assignments used, quality = 1.00: * HG LEU 14 + QD1 LEU 14 OK 100 100 - 100 - 2.1=100 HG12 ILE 8 - QD1 LEU 14 OK 33 84 - 39 - 2.1/624=4, 630/2.1=4...(19) QB ALA 89 - QD1 LEU 14 OK 29 90 - 33 - 2.9/8402=7, 630/2.1=3...(14) HB2 LYS 82 - QD1 LEU 14 OK 22 97 - 23 - 2.9/9760=2, 9757/2.1=2...(10) HG2 LYS 39 - QD1 LEU 14 OK 19 99 - 19 - 10570=7, 630/2.1=2...(4) HB2 LEU 70 - QD1 LEU 14 OK 14 61 - 23 - 1.8/9544=8, 3.0/9545=3...(5) HB3 LEU 2 - QD1 LEU 14 OK 14 70 - 20 - 1.8/10404=2, ~12275=2...(5) HG3 LYS 68 - QD1 LEU 14 OK 11 100 - 11 - 10570=3, 12321/10402=1 QB ALA 25 - QD1 LEU 14 OK 11 90 - 12 - 4.8/8411=2, 2.9/10413=2 QB ALA 67 - QD1 LEU 14 poor 9 84 - 10 - 9527/2.1=1, 2981/9475=1 HB3 LEU 27 - QD1 LEU 14 lone 5 98 - 5 - HG3 LYS 40 - QD1 LEU 14 lone 5 94 - 5 - HG2 LYS 94 - QD1 LEU 14 lone 4 90 - 5 - Peak 623 from cnoeabs.peaks (0.68, 0.68, 25.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 14 + QD1 LEU 14 OK 100 100 - 100 Peak 624 from cnoeabs.peaks (0.71, 0.68, 25.64 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 14 + QD1 LEU 14 OK 100 100 - 100 - 2.1=100 HG13 ILE 56 - QD1 LEU 14 OK 36 98 - 37 - ~11079=4, 10677/2.1=4...(15) QD1 ILE 56 - QD1 LEU 14 OK 36 100 - 36 - ~11079=4, 616/2.1=3...(15) QG1 VAL 58 - QD1 LEU 14 OK 33 87 - 39 - 2670=9, 2.1/2658=5...(16) QD1 ILE 8 - QD1 LEU 14 OK 30 100 - 31 - 616/2.1=3, 2.1/622=3...(12) QD1 ILE 52 - QD1 LEU 14 lone 4 81 - 5 - QG2 VAL 78 - QD1 LEU 14 lone 3 84 - 4 - QG1 VAL 5 - QD1 LEU 14 lone 2 65 - 3 - 4.1/6067=1 Peak 625 from cnoeabs.peaks (8.07, 0.68, 25.64 ppm; 4.02 A): 2 out of 6 assignments used, quality = 0.97: * H ILE 15 + QD1 LEU 14 OK 93 100 - 93 - 4.9=54, ~8413=18...(21) H LYS 13 + QD1 LEU 14 OK 58 100 - 58 - 6182/4.8=14, 633/2.1=9...(17) H GLU 17 - QD1 LEU 14 OK 40 90 - 45 - 6245/4.0=10, 4.6/8333=8...(11) H GLU 75 - QD1 LEU 14 OK 34 100 - 34 - 4.6/618=6, 7245/4.8=6...(9) H LYS 39 - QD1 LEU 14 OK 26 94 - 27 - 633/2.1=5, 5.2/10570=4...(9) H SER 102 - QD1 LEU 14 lone 5 77 - 6 - Peak 626 from cnoeabs.peaks (7.55, 0.71, 24.35 ppm; 4.07 A): 2 out of 3 assignments used, quality = 0.98: * H LEU 14 + QD2 LEU 14 OK 95 100 - 95 - 4.8=61, 602/3.1=22...(24) H ILE 76 + QD2 LEU 14 OK 59 96 - 62 - 9647=12, 618/2.1=11...(15) H GLU 88 - QD2 LEU 14 OK 17 61 - 28 - 4.6/8433=6, 618/2.1=5...(10) Peak 627 from cnoeabs.peaks (3.68, 0.71, 24.35 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 14 + QD2 LEU 14 OK 100 100 - 100 - 4.0=99, 619/2.1=21...(20) HB THR 80 + QD2 LEU 14 OK 74 100 - 74 - 2.1/10403=26, 619/2.1=15...(14) HA LYS 90 - QD2 LEU 14 OK 33 84 - 39 - 619/2.1=6, 611/2.1=6...(12) Peak 628 from cnoeabs.peaks (1.52, 0.71, 24.35 ppm; 3.08 A): 3 out of 11 assignments used, quality = 1.00: * HB2 LEU 14 + QD2 LEU 14 OK 97 100 - 97 - 3.1=95, 3.0/627=8...(11) HB ILE 7 + QD2 LEU 14 OK 59 100 - 59 - 2.9/12015=9, 3.2/10272=6...(29) HG12 ILE 56 + QD2 LEU 14 OK 53 94 - 56 - ~11079=8, 2583=7...(28) HG LEU 6 - QD2 LEU 14 OK 29 100 - 29 - 214/2.1=4, 2.1/631=4...(11) HG LEU 2 - QD2 LEU 14 OK 25 97 - 26 - 71/2.1=3, 620/2.1=2...(9) HG3 ARG 30 - QD2 LEU 14 OK 18 96 - 19 - ~8720=3, 620/2.1=2...(9) HG3 LYS 24 - QD2 LEU 14 poor 9 81 - 11 - 3.7/8412=4 HG2 ARG 79 - QD2 LEU 14 lone 6 87 - 6 - HG3 ARG 79 - QD2 LEU 14 lone 6 84 - 6 - HG3 LYS 33 - QD2 LEU 14 lone 5 65 - 8 - HB3 LEU 103 - QD2 LEU 14 lone 4 100 - 4 - Peak 629 from cnoeabs.peaks (1.90, 0.71, 24.35 ppm; 3.23 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LEU 14 + QD2 LEU 14 OK 100 100 - 100 - 3.1=100 HB ILE 8 + QD2 LEU 14 OK 60 97 - 63 - 295=8, 621/2.1=6...(33) HB3 LYS 13 - QD2 LEU 14 OK 36 87 - 42 - 4.6/626=7, 3.0/12015=6...(15) HB2 LYS 13 - QD2 LEU 14 OK 33 81 - 41 - 4.6/626=7, 3.0/12015=6...(15) HG LEU 42 - QD2 LEU 14 OK 30 98 - 30 - 2.1/631=4, 1932/2.1=4...(13) HB2 ARG 19 - QD2 LEU 14 OK 13 92 - 14 - 10439/12013=3...(3) HB2 GLU 43 - QD2 LEU 14 OK 11 99 - 11 - 3.0/10607=2, 4.4/8975=2 HB VAL 54 - QD2 LEU 14 poor 8 70 - 12 - 12126=3, ~10209=1, ~10207=1 HB3 LYS 33 - QD2 LEU 14 lone 8 84 - 9 - HB2 LYS 33 - QD2 LEU 14 lone 7 77 - 9 - HB2 LYS 20 - QD2 LEU 14 lone 6 84 - 7 - 4.0/10412=1 Peak 630 from cnoeabs.peaks (1.35, 0.71, 24.35 ppm; 2.75 A): 1 out of 13 assignments used, quality = 1.00: * HG LEU 14 + QD2 LEU 14 OK 100 100 - 100 - 2.1=100 HG12 ILE 8 - QD2 LEU 14 OK 35 84 - 42 - 1.8/319=4, 2.9/629=4...(21) QB ALA 89 - QD2 LEU 14 OK 28 90 - 31 - 2.1/10408=4, ~8402=4...(15) HG2 LYS 39 - QD2 LEU 14 OK 18 99 - 19 - 10570/2.1=5, 3.9/8953=2...(4) HB2 LYS 82 - QD2 LEU 14 OK 18 97 - 18 - 9757/2.1=2, ~9759=2...(7) HB2 LEU 70 - QD2 LEU 14 OK 14 61 - 23 - ~9544=5, ~9545=2...(9) HB3 LEU 2 - QD2 LEU 14 OK 13 70 - 19 - 1.8/12275=2, 3.0/628=2...(5) HG3 LYS 68 - QD2 LEU 14 lone 10 100 - 10 - 10570/2.1=2, 12321/10403=1 QB ALA 67 - QD2 LEU 14 poor 10 84 - 11 - 9527=3, 2.9/9520=1 QB ALA 25 - QD2 LEU 14 lone 9 90 - 10 - 4.8/8412=2, 622/2.1=1, ~10413=1 HB3 LEU 27 - QD2 LEU 14 lone 5 98 - 5 - HG3 LYS 40 - QD2 LEU 14 lone 5 94 - 5 - HG2 LYS 94 - QD2 LEU 14 lone 4 90 - 5 - Peak 631 from cnoeabs.peaks (0.68, 0.71, 24.35 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 14 + QD2 LEU 14 OK 100 100 - 100 - 2.1=100 QG2 VAL 58 - QD2 LEU 14 OK 35 100 - 35 - 2665=6, 615/2.1=4...(16) QD1 LEU 42 - QD2 LEU 14 OK 16 90 - 18 - 615/2.1=2, 607/3.1=2...(6) QD2 LEU 6 - QD2 LEU 14 OK 16 94 - 17 - 615/2.1=2, 2.1/628=2...(6) QD1 ILE 52 - QD2 LEU 14 lone 4 70 - 5 - Peak 632 from cnoeabs.peaks (0.71, 0.71, 24.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 14 + QD2 LEU 14 OK 100 100 - 100 Peak 633 from cnoeabs.peaks (8.07, 0.71, 24.35 ppm; 3.77 A): 2 out of 6 assignments used, quality = 0.95: * H ILE 15 + QD2 LEU 14 OK 88 100 - 89 - 4.9=44, 3.0/8413=27...(20) H LYS 13 + QD2 LEU 14 OK 56 100 - 56 - 6182/4.8=12, 625/2.1=7...(16) H GLU 17 - QD2 LEU 14 OK 37 90 - 42 - 6247/8413=9, 6245/4.0=9...(11) H GLU 75 - QD2 LEU 14 OK 31 100 - 31 - 4.6/626=6, 7245/4.8=5...(9) H LYS 39 - QD2 LEU 14 OK 29 94 - 31 - 3.0/8953=4, 8947=3...(14) H SER 102 - QD2 LEU 14 lone 4 77 - 5 - Peak 634 from cnoeabs.peaks (8.07, 3.26, 65.94 ppm; 3.60 A): 2 out of 6 assignments used, quality = 1.00: * H ILE 15 + HA ILE 15 OK 100 100 - 100 - 3.0=100 H GLU 17 + HA ILE 15 OK 65 90 - 73 - 6247=40, 6248/3.6=16...(15) H LYS 13 - HA ILE 15 OK 43 100 - 44 - 645/3.0=6, ~6208=5...(14) H GLU 75 - HA ILE 15 OK 18 100 - 17 - 4.6/8441=3, 645/3.0=2...(8) H LYS 39 - HA ILE 15 OK 16 94 - 17 - 653/3.2=2, 645/3.0=2...(8) H SER 102 - HA ILE 15 OK 12 77 - 16 - 4.6/641=4, 7636/3.6=3...(6) Peak 635 from cnoeabs.peaks (3.26, 3.26, 65.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + HA ILE 15 OK 100 100 - 100 Peak 636 from cnoeabs.peaks (1.73, 3.26, 65.94 ppm; 3.55 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 15 + HA ILE 15 OK 100 100 - 100 - 3.0=100 HD2 LYS 90 - HA ILE 15 OK 36 92 - 40 - 1.8/662=6, 655/3.2=5...(18) HB3 LEU 70 - HA ILE 15 OK 34 81 - 42 - 6217/3.0=4, 655/3.2=4...(21) HD3 LYS 33 - HA ILE 15 OK 26 99 - 26 - 3.0/8451=3, 3.0/8451=3...(12) HD2 LYS 33 - HA ILE 15 OK 26 99 - 26 - 3.0/8451=3, 3.0/8451=3...(12) HD2 ARG 81 - HA ILE 15 OK 25 99 - 25 - 655/3.2=3, ~3634=2...(14) HB2 GLU 28 - HA ILE 15 lone 4 84 - 5 - Peak 637 from cnoeabs.peaks (0.81, 3.26, 65.94 ppm; 3.03 A): 2 out of 10 assignments used, quality = 0.97: * QG2 ILE 15 + HA ILE 15 OK 95 100 - 95 - 3.2=85, 3.0/678=19...(28) QG2 ILE 7 + HA ILE 15 OK 41 90 - 46 - 3.0/8261=17, 8283/772=6...(16) QD2 LEU 70 - HA ILE 15 OK 28 100 - 29 - 648/3.0=3, 3.1/636=3...(12) QD1 LEU 70 - HA ILE 15 OK 26 98 - 27 - 648/3.0=3, 3.1/636=3...(11) QD2 LEU 2 - HA ILE 15 OK 17 100 - 17 - 648/3.0=2, 6218/3.0=2...(7) QD1 ILE 76 - HA ILE 15 OK 16 94 - 17 - 9630/3.6=3, 6218/3.0=2...(5) QD2 LEU 38 - HA ILE 15 lone 7 84 - 8 - 6218/3.0=1 QD2 LEU 57 - HA ILE 15 lone 5 81 - 6 - QD1 LEU 57 - HA ILE 15 lone 2 65 - 3 - QD2 LEU 103 - HA ILE 15 lone 1 70 - 2 - Peak 638 from cnoeabs.peaks (1.69, 3.26, 65.94 ppm; 3.59 A): 1 out of 20 assignments used, quality = 0.97: * HG12 ILE 15 + HA ILE 15 OK 97 100 - 97 - 4.1=69, 1.8/670=34...(23) HG LEU 70 - HA ILE 15 OK 38 99 - 38 - 2.1/637=5, 2.1/637=4...(21) HD3 LYS 90 - HA ILE 15 OK 37 100 - 37 - 662=7, 1.8/636=5...(14) HD2 LYS 12 - HA ILE 15 OK 35 97 - 36 - 3.0/8451=4, 662=4...(14) HD3 LYS 12 - HA ILE 15 OK 35 97 - 36 - 3.0/8451=4, 662=4...(14) HD2 LYS 13 - HA ILE 15 OK 31 97 - 33 - 3.0/10419=3, 6219/3.0=3...(15) HD3 LYS 13 - HA ILE 15 OK 30 94 - 32 - 3.0/10419=3, 6219/3.0=3...(16) HB2 LEU 2 - HA ILE 15 OK 24 96 - 25 - 12274/4.2=3, 57/3.2=2...(10) HG2 PRO 86 - HA ILE 15 OK 12 100 - 12 - ~10953=4, 10406/8413=2...(5) HD2 LYS 24 - HA ILE 15 lone 9 100 - 9 - HB3 LYS 40 - HA ILE 15 lone 9 92 - 9 - ~6206=1, 6219/3.0=1, 2.9/8455=1 HD3 LYS 24 - HA ILE 15 lone 9 100 - 9 - HD3 LYS 66 - HA ILE 15 lone 7 96 - 7 - 10782/3.2=1, ~12319=1 HD3 LYS 47 - HA ILE 15 lone 4 87 - 5 - HD2 LYS 47 - HA ILE 15 lone 4 84 - 4 - HG3 LYS 20 - HA ILE 15 lone 3 61 - 5 - 3.7/8453=1, 6233/3.6=1 HD2 LYS 20 - HA ILE 15 lone 3 73 - 4 - 5.3/8453=1 HB3 ARG 91 - HA ILE 15 lone 3 90 - 3 - HB3 LYS 53 - HA ILE 15 lone 2 96 - 2 - HD3 LYS 20 - HA ILE 15 lone 2 61 - 4 - 5.3/8453=1 Peak 639 from cnoeabs.peaks (0.75, 3.26, 65.94 ppm; 3.12 A): 2 out of 12 assignments used, quality = 0.98: * HG13 ILE 15 + HA ILE 15 OK 87 100 - 87 - 4.1=45, 2.1/678=26...(30) QD1 ILE 15 + HA ILE 15 OK 85 99 - 86 - 4.2=42, 2.1/670=24...(29) QD1 ILE 93 - HA ILE 15 OK 12 77 - 16 - 10020/772=6, 8332/6263=1...(5) HG3 ARG 81 - HA ILE 15 OK 11 77 - 15 - 3.0/636=2, 650/3.0=2...(8) QD2 LEU 42 - HA ILE 15 OK 10 87 - 12 - 2.1/12021=3, 6221/3.0=2, ~6214=2 QG1 VAL 54 - HA ILE 15 lone 8 97 - 8 - 6221/3.0=1 HG13 ILE 93 - HA ILE 15 lone 8 90 - 9 - 10022/772=2 QG2 ILE 93 - HA ILE 15 lone 8 99 - 8 - 8482/772=1 QD1 LEU 6 - HA ILE 15 lone 7 73 - 9 - 2.1/12021=2, ~6214=1, 6221/3.0=1 QD1 LEU 27 - HA ILE 15 lone 5 81 - 6 - QG1 VAL 78 - HA ILE 15 lone 4 94 - 5 - QD1 LEU 64 - HA ILE 15 lone 2 84 - 2 - Peak 640 from cnoeabs.peaks (0.76, 3.26, 65.94 ppm; 3.12 A): 2 out of 12 assignments used, quality = 0.98: * QD1 ILE 15 + HA ILE 15 OK 86 100 - 86 - 4.2=42, 2.1/670=24...(29) HG13 ILE 15 + HA ILE 15 OK 86 99 - 87 - 4.1=45, 2.1/678=26...(30) QD1 ILE 93 - HA ILE 15 OK 17 92 - 19 - 10020/772=8...(5) QD2 LEU 42 - HA ILE 15 OK 12 97 - 12 - 2.1/12021=3, 6221/3.0=2, ~6214=2 QG1 VAL 54 - HA ILE 15 lone 9 100 - 9 - 6221/3.0=1 QD1 LEU 6 - HA ILE 15 lone 9 90 - 10 - 2.1/12021=2, ~6214=1, 6221/3.0=1 QG2 ILE 93 - HA ILE 15 lone 7 94 - 8 - 8482/772=2 HG13 ILE 93 - HA ILE 15 lone 6 73 - 8 - 10022/772=2 QD1 LEU 27 - HA ILE 15 lone 6 94 - 6 - QG1 VAL 78 - HA ILE 15 lone 3 81 - 4 - QG2 ILE 52 - HA ILE 15 lone 2 61 - 4 - QD1 LEU 64 - HA ILE 15 lone 1 65 - 2 - Peak 641 from cnoeabs.peaks (8.02, 3.26, 65.94 ppm; 4.22 A): 3 out of 3 assignments used, quality = 1.00: * H GLU 16 + HA ILE 15 OK 100 100 - 100 - 3.6=100 H ARG 46 + HA ILE 15 OK 48 97 - 50 - 6222/3.0=10, 6230=10...(12) H GLY 101 + HA ILE 15 OK 47 97 - 48 - 6222/3.0=11, 652/3.0=9...(14) Peak 642 from cnoeabs.peaks (8.65, 3.26, 65.94 ppm; 4.28 A): 1 out of 4 assignments used, quality = 0.94: * H ALA 18 + HA ILE 15 OK 94 100 - 94 - 6263=50, 2.9/772=39...(18) H ASP 11 - HA ILE 15 OK 19 65 - 29 - 8439/4.2=10, 8435/4.1=6...(8) H ASN 10 - HA ILE 15 lone 8 81 - 10 - 10378/8261=3...(4) H LEU 55 - HA ILE 15 poor 6 61 - 10 - 10504/8689=2...(4) Peak 643 from cnoeabs.peaks (1.23, 3.26, 65.94 ppm; 3.38 A): 1 out of 2 assignments used, quality = 0.85: * QB ALA 18 + HA ILE 15 OK 85 100 - 85 - 772=47, 2.9/6263=20...(19) QG2 THR 84 - HA ILE 15 lone 7 77 - 8 - 8460/3.0=2, 12013/8413=2...(4) Peak 644 from cnoeabs.peaks (3.85, 1.73, 37.98 ppm; 3.57 A): 7 out of 9 assignments used, quality = 0.91: * HA LYS 12 + HB ILE 15 OK 68 100 - 69 - 392=32, 8381/3.2=10...(17) HA2 GLY 101 + HB ILE 15 OK 27 90 - 30 - 3.0/652=7, 10121/2.1=3...(12) HA ALA 71 + HB ILE 15 OK 23 94 - 25 - 10121/2.1=5, 10838/2.9=2...(13) HB3 SER 49 + HB ILE 15 OK 23 100 - 23 - 10121/2.1=4, 9072/3.2=3...(10) HA LYS 40 + HB ILE 15 OK 13 92 - 14 - 6206/4.0=2, 8446/3.2=2...(5) HA2 GLY 100 + HB ILE 15 OK 11 90 - 13 - 3.6/652=6, 6206/4.0=2...(4) HA ALA 67 + HB ILE 15 OK 11 100 - 11 - 10121/2.1=2, 6206/4.0=1...(5) HA LYS 94 - HB ILE 15 lone 8 90 - 9 - 8446/3.2=2, 10121/2.1=1 HA LEU 38 - HB ILE 15 poor 7 61 - 11 - 3.6/645=2, 8446/3.2=1 Peak 645 from cnoeabs.peaks (8.07, 1.73, 37.98 ppm; 3.38 A): 3 out of 6 assignments used, quality = 0.95: * H ILE 15 + HB ILE 15 OK 87 100 - 87 - 4.0=62, 6218/2.1=12...(16) H GLU 17 + HB ILE 15 OK 42 90 - 46 - 6247/3.0=19, 6248/4.5=10...(10) H LYS 13 + HB ILE 15 OK 40 100 - 41 - 3.6/392=16, 677/3.2=6...(8) H GLU 75 - HB ILE 15 OK 13 100 - 13 - 4.6/8440=3, 653/2.1=2...(6) H LYS 39 - HB ILE 15 OK 12 94 - 13 - 653/2.1=3, 677/3.2=2...(5) H SER 102 - HB ILE 15 OK 11 77 - 15 - 4.6/652=4, 3.6/644=3...(7) Peak 646 from cnoeabs.peaks (3.26, 1.73, 37.98 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + HB ILE 15 OK 100 100 - 100 - 3.0=100 Peak 647 from cnoeabs.peaks (1.73, 1.73, 37.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 15 + HB ILE 15 OK 100 100 - 100 Peak 648 from cnoeabs.peaks (0.81, 1.73, 37.98 ppm; 3.01 A): 1 out of 10 assignments used, quality = 1.00: * QG2 ILE 15 + HB ILE 15 OK 100 100 - 100 - 2.1=100 QG2 ILE 7 - HB ILE 15 OK 41 90 - 46 - ~8261=6, ~8470=6...(21) QD2 LEU 70 - HB ILE 15 OK 37 100 - 38 - 3169=3, 672/2.9=3...(18) QD1 LEU 70 - HB ILE 15 OK 36 98 - 37 - 672/2.9=3, 680/3.2=3...(20) QD2 LEU 2 - HB ILE 15 OK 24 100 - 24 - 672/2.9=3, ~10118=2...(11) QD1 ILE 76 - HB ILE 15 OK 18 94 - 19 - 4.7/8440=2, 9630/4.5=2...(7) QD2 LEU 38 - HB ILE 15 lone 6 84 - 8 - QD2 LEU 57 - HB ILE 15 lone 5 81 - 6 - QD1 LEU 57 - HB ILE 15 lone 3 65 - 5 - QD2 LEU 103 - HB ILE 15 lone 2 70 - 2 - Peak 649 from cnoeabs.peaks (1.69, 1.73, 37.98 ppm; 3.04 A): 2 out of 20 assignments used, quality = 1.00: * HG12 ILE 15 + HB ILE 15 OK 100 100 - 100 - 2.9=100 HD3 LYS 90 + HB ILE 15 OK 46 100 - 47 - 663=4, 2.9/3952=4...(24) HD3 LYS 12 - HB ILE 15 OK 36 97 - 37 - 5.2/392=6, 657/2.1=3...(18) HD2 LYS 12 - HB ILE 15 OK 36 97 - 37 - 5.2/392=6, 657/2.1=3...(18) HG LEU 70 - HB ILE 15 OK 32 99 - 33 - 2.1/648=4, 2.1/648=4...(18) HB2 LEU 2 - HB ILE 15 OK 22 96 - 24 - 12274/3.2=3, 12274/2.9=2...(8) HD2 LYS 13 - HB ILE 15 OK 22 97 - 23 - ~10394=2, 657/2.1=2...(10) HD3 LYS 13 - HB ILE 15 OK 21 94 - 23 - ~10394=2, 657/2.1=2...(11) HB3 LYS 40 - HB ILE 15 lone 8 92 - 9 - 3.0/644=1 HD2 LYS 24 - HB ILE 15 lone 8 100 - 8 - HD3 LYS 24 - HB ILE 15 lone 8 100 - 8 - HD3 LYS 66 - HB ILE 15 lone 7 96 - 7 - ~12319=1, 10782/2.1=1 HG2 PRO 86 - HB ILE 15 lone 5 100 - 5 - HB3 ARG 91 - HB ILE 15 lone 5 90 - 6 - 3.9/7437=3 HD3 LYS 47 - HB ILE 15 lone 3 87 - 4 - HB3 LYS 53 - HB ILE 15 lone 3 96 - 3 - HD2 LYS 47 - HB ILE 15 lone 3 84 - 4 - HG3 LYS 20 - HB ILE 15 lone 3 61 - 4 - HD2 LYS 20 - HB ILE 15 lone 2 73 - 3 - HD3 LYS 20 - HB ILE 15 lone 2 61 - 3 - Peak 650 from cnoeabs.peaks (0.75, 1.73, 37.98 ppm; 3.00 A): 2 out of 12 assignments used, quality = 1.00: * HG13 ILE 15 + HB ILE 15 OK 100 100 - 100 - 2.9=100 QD1 ILE 15 + HB ILE 15 OK 93 99 - 94 - 3.2=81, 678/3.0=18...(21) HG3 ARG 81 - HB ILE 15 OK 21 77 - 27 - 1.8/3607=3, 3.0/3634=3...(13) QG2 ILE 93 - HB ILE 15 lone 10 99 - 10 - HG13 ILE 93 - HB ILE 15 lone 9 90 - 10 - QD1 ILE 93 - HB ILE 15 poor 9 77 - 11 - 640/3.0=2, 10020/8487=1 QG1 VAL 54 - HB ILE 15 lone 9 97 - 9 - 659/2.1=1 QD2 LEU 42 - HB ILE 15 lone 8 87 - 10 - ~12021=1, 6221/4.0=1...(4) QD1 LEU 27 - HB ILE 15 lone 5 81 - 6 - QD1 LEU 6 - HB ILE 15 lone 5 73 - 6 - ~12021=1 QG1 VAL 78 - HB ILE 15 lone 3 94 - 3 - QD1 LEU 64 - HB ILE 15 lone 2 84 - 3 - Peak 651 from cnoeabs.peaks (0.76, 1.73, 37.98 ppm; 3.00 A): 2 out of 12 assignments used, quality = 1.00: HG13 ILE 15 + HB ILE 15 OK 99 99 - 100 - 2.9=100 * QD1 ILE 15 + HB ILE 15 OK 94 100 - 94 - 3.2=81, 678/3.0=19...(21) QD1 ILE 93 - HB ILE 15 OK 11 92 - 12 - 10020/8487=2, 640/3.0=2 QD2 LEU 42 - HB ILE 15 poor 10 97 - 10 - ~12021=1, 6221/4.0=1...(4) QG1 VAL 54 - HB ILE 15 lone 9 100 - 9 - 659/2.1=1 QG2 ILE 93 - HB ILE 15 lone 9 94 - 9 - HG13 ILE 93 - HB ILE 15 lone 7 73 - 9 - QD1 LEU 27 - HB ILE 15 lone 6 94 - 7 - QD1 LEU 6 - HB ILE 15 lone 6 90 - 7 - ~12021=1 QG1 VAL 78 - HB ILE 15 lone 2 81 - 3 - QG2 ILE 52 - HB ILE 15 lone 2 61 - 3 - QD1 LEU 64 - HB ILE 15 lone 2 65 - 2 - Peak 652 from cnoeabs.peaks (8.02, 1.73, 37.98 ppm; 3.61 A): 3 out of 3 assignments used, quality = 0.92: * H GLU 16 + HB ILE 15 OK 80 100 - 80 - 4.5=53, 660/2.1=16...(13) H GLY 101 + HB ILE 15 OK 38 97 - 39 - 660/2.1=8, 6222/4.0=7...(12) H ARG 46 + HB ILE 15 OK 37 97 - 39 - 660/2.1=8, 6222/4.0=6...(9) Peak 653 from cnoeabs.peaks (8.07, 0.81, 17.32 ppm; 3.70 A): 2 out of 6 assignments used, quality = 0.97: * H ILE 15 + QG2 ILE 15 OK 95 100 - 95 - 4.0=79, 6217/2.1=23...(15) H GLU 17 + QG2 ILE 15 OK 53 90 - 59 - 6247/3.2=22, 6248/4.4=12...(12) H LYS 13 - QG2 ILE 15 OK 42 100 - 42 - 645/2.1=7, 3.6/10121=7...(9) H LYS 39 - QG2 ILE 15 OK 21 94 - 22 - 6601=2, 645/2.1=2...(8) H GLU 75 - QG2 ILE 15 OK 17 100 - 17 - 645/2.1=2, 4.6/7258=2...(8) H SER 102 - QG2 ILE 15 OK 13 77 - 17 - 4.6/660=4, 3.6/10121=3...(7) Peak 654 from cnoeabs.peaks (3.26, 0.81, 17.32 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + QG2 ILE 15 OK 100 100 - 100 - 3.2=100 Peak 655 from cnoeabs.peaks (1.73, 0.81, 17.32 ppm; 2.86 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 15 + QG2 ILE 15 OK 100 100 - 100 - 2.1=100 HD2 LYS 90 - QG2 ILE 15 OK 31 92 - 34 - 679/3.0=4, 671/3.2=3...(16) HB3 LEU 70 - QG2 ILE 15 OK 27 81 - 34 - 3.0/10122=5, 3148=4...(13) HD2 ARG 81 - QG2 ILE 15 OK 20 99 - 21 - ~3634=2, 679/3.0=2...(11) HD2 LYS 33 - QG2 ILE 15 OK 15 99 - 15 - 636/3.2=2, 679/3.0=1...(5) HD3 LYS 33 - QG2 ILE 15 OK 15 99 - 15 - 636/3.2=2, 679/3.0=1...(5) HB2 GLU 28 - QG2 ILE 15 lone 3 84 - 3 - Peak 656 from cnoeabs.peaks (0.81, 0.81, 17.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 15 + QG2 ILE 15 OK 100 100 - 100 Peak 657 from cnoeabs.peaks (1.69, 0.81, 17.32 ppm; 3.13 A): 1 out of 20 assignments used, quality = 0.99: * HG12 ILE 15 + QG2 ILE 15 OK 99 100 - 99 - 3.2=95, 2.1/680=17...(22) HD3 LYS 90 - QG2 ILE 15 OK 40 100 - 41 - 1.8/655=6, 664=4...(18) HD3 LYS 12 - QG2 ILE 15 OK 37 97 - 39 - 649/2.1=3, 5.2/10121=3...(19) HD2 LYS 12 - QG2 ILE 15 OK 37 97 - 39 - 649/2.1=3, 5.2/10121=3...(19) HG LEU 70 - QG2 ILE 15 OK 37 99 - 38 - 3.7/10122=5, 3156=5...(17) HB2 LEU 2 - QG2 ILE 15 OK 29 96 - 30 - 12274/3.0=3, 57=3...(13) HD2 LYS 13 - QG2 ILE 15 OK 24 97 - 25 - 3.0/10394=3, 649/2.1=2...(11) HD3 LYS 13 - QG2 ILE 15 OK 23 94 - 25 - 3.0/10394=3, 3.0/10395=2...(11) HD3 LYS 66 - QG2 ILE 15 OK 10 96 - 11 - 1.8/12319=2, 10782=1, 3.6/9514=1 HB3 LYS 40 - QG2 ILE 15 lone 9 92 - 9 - 3.0/10121=1 HD2 LYS 24 - QG2 ILE 15 lone 8 100 - 8 - HD3 LYS 24 - QG2 ILE 15 lone 8 100 - 8 - HG2 PRO 86 - QG2 ILE 15 lone 5 100 - 5 - HD3 LYS 47 - QG2 ILE 15 lone 4 87 - 5 - HD2 LYS 47 - QG2 ILE 15 lone 4 84 - 4 - HB3 ARG 91 - QG2 ILE 15 lone 3 90 - 4 - HG3 LYS 20 - QG2 ILE 15 lone 3 61 - 4 - HB3 LYS 53 - QG2 ILE 15 lone 3 96 - 3 - HD2 LYS 20 - QG2 ILE 15 lone 2 73 - 3 - HD3 LYS 20 - QG2 ILE 15 lone 2 61 - 3 - Peak 658 from cnoeabs.peaks (0.75, 0.81, 17.32 ppm; 2.40 A): 2 out of 12 assignments used, quality = 0.93: QD1 ILE 15 + QG2 ILE 15 OK 74 99 - 75 - 3.0=52, 678/3.2=10...(20) * HG13 ILE 15 + QG2 ILE 15 OK 71 100 - 71 - 3.2=43, 2.1/680=11...(19) HG3 ARG 81 - QG2 ILE 15 poor 8 77 - 11 - 3.0/655=1, 650/2.1=1...(4) QG1 VAL 54 - QG2 ILE 15 lone 5 97 - 5 - HG13 ILE 93 - QG2 ILE 15 lone 5 90 - 5 - QG2 ILE 93 - QG2 ILE 15 lone 5 99 - 5 - QD1 ILE 93 - QG2 ILE 15 lone 4 77 - 5 - QD2 LEU 42 - QG2 ILE 15 lone 4 87 - 5 - QD1 LEU 6 - QG2 ILE 15 lone 3 73 - 4 - QD1 LEU 27 - QG2 ILE 15 lone 3 81 - 3 - QG1 VAL 78 - QG2 ILE 15 lone 2 94 - 2 - QD1 LEU 64 - QG2 ILE 15 lone 1 84 - 1 - Peak 659 from cnoeabs.peaks (0.76, 0.81, 17.32 ppm; 2.40 A): 2 out of 12 assignments used, quality = 0.93: * QD1 ILE 15 + QG2 ILE 15 OK 75 100 - 75 - 3.0=52, 678/3.2=11...(20) HG13 ILE 15 + QG2 ILE 15 OK 70 99 - 71 - 3.2=43, 2.1/680=11...(19) QD1 ILE 93 - QG2 ILE 15 lone 5 92 - 6 - QG1 VAL 54 - QG2 ILE 15 lone 5 100 - 5 - QD2 LEU 42 - QG2 ILE 15 lone 5 97 - 5 - QG2 ILE 93 - QG2 ILE 15 lone 4 94 - 4 - HG13 ILE 93 - QG2 ILE 15 lone 4 73 - 5 - QD1 LEU 6 - QG2 ILE 15 lone 3 90 - 4 - QD1 LEU 27 - QG2 ILE 15 lone 3 94 - 4 - QG1 VAL 78 - QG2 ILE 15 lone 2 81 - 2 - QG2 ILE 52 - QG2 ILE 15 lone 1 61 - 2 - QD1 LEU 64 - QG2 ILE 15 lone 1 65 - 1 - Peak 660 from cnoeabs.peaks (8.02, 0.81, 17.32 ppm; 3.81 A): 3 out of 3 assignments used, quality = 0.97: * H GLU 16 + QG2 ILE 15 OK 90 100 - 90 - 4.4=67, 6231/2.1=20...(13) H ARG 46 + QG2 ILE 15 OK 42 97 - 43 - 652/2.1=9, 6222/4.0=6...(12) H GLY 101 + QG2 ILE 15 OK 41 97 - 43 - 652/2.1=9, 6222/4.0=8...(12) Peak 661 from cnoeabs.peaks (8.07, 1.69, 29.43 ppm; 3.48 A): 4 out of 24 assignments used, quality = 0.95: * H ILE 15 + HG12 ILE 15 OK 84 100 - 84 - 4.6=42, 6217/2.9=17...(15) H LYS 13 + HG12 ILE 15 OK 37 100 - 37 - 677/2.1=8, 669/1.8=7...(11) H GLU 17 + HG12 ILE 15 OK 36 90 - 40 - 6247/4.1=15, 669/1.8=6...(8) H LYS 13 + HD2 LYS 12 OK 29 49 - 60 - 425/3.0=9, 6165/3.6=9...(19) H LYS 13 - HD3 LYS 12 OK 29 49 - 60 - 425/3.0=9, 6165/3.6=9...(19) H ILE 15 - HD3 LYS 90 OK 27 98 - 28 - 6217/1.8=5, 3.0/662=5...(10) H ILE 15 - HD2 LYS 12 OK 18 50 - 38 - 425/3.0=5, 6219=4...(17) H ILE 15 - HD3 LYS 12 OK 18 50 - 38 - 425/3.0=5, 6219=4...(17) H LYS 39 - HG12 ILE 15 OK 13 94 - 14 - 677/2.1=3, 669/1.8=2...(5) H GLU 75 - HG12 ILE 15 OK 10 100 - 10 - 677/2.1=2, 645/2.9=2...(5) H GLU 17 - HD3 LYS 90 OK 10 85 - 12 - 6245/5.2=3, 5.1/10436=2...(5) H LYS 13 - HD3 LYS 90 lone 9 98 - 10 - 8389/5.2=2 H LYS 39 - HD3 LYS 12 poor 9 42 - 22 - 425/3.0=6, 6605/3.6=4...(7) H LYS 39 - HD2 LYS 12 poor 9 42 - 22 - 425/3.0=6, 6605/3.6=4...(7) H SER 102 - HG12 ILE 15 poor 8 77 - 11 - 4.6/668=2, 669/1.8=2...(5) H LYS 39 - HD3 LYS 90 lone 4 90 - 4 - H SER 102 - HD3 LYS 90 lone 4 73 - 5 - 10112/2.9=2, 10111/3.6=1 H GLU 75 - HD3 LYS 12 lone 4 49 - 7 - 425/3.0=2, 436/3.0=1 H GLU 75 - HD2 LYS 12 lone 4 49 - 7 - 425/3.0=2, 436/3.0=1 H GLU 17 - HD3 LYS 12 lone 3 39 - 9 - H GLU 17 - HD2 LYS 12 lone 3 39 - 9 - H GLU 75 - HD3 LYS 90 lone 2 98 - 2 - H SER 102 - HD2 LYS 12 lone 1 32 - 3 - H SER 102 - HD3 LYS 12 lone 1 32 - 3 - Peak 662 from cnoeabs.peaks (3.26, 1.69, 29.43 ppm; 4.25 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 15 + HG12 ILE 15 OK 100 100 - 100 - 4.1=100 HA ILE 15 - HD3 LYS 90 OK 44 98 - 45 - 636/1.8=7, 3.0/649=5...(14) HA ILE 15 - HD2 LYS 12 OK 23 50 - 46 - 8451/3.0=7, 638=4...(20) HA ILE 15 - HD3 LYS 12 OK 23 50 - 46 - 8451/3.0=7, 638=4...(20) Peak 663 from cnoeabs.peaks (1.73, 1.69, 29.43 ppm; 2.40 A): 2 out of 28 assignments used, quality = 0.97: HD2 LYS 90 + HD3 LYS 90 OK 88 88 - 100 - 1.8=100 * HB ILE 15 + HG12 ILE 15 OK 77 100 - 77 - 2.9=57, 679/2.1=10...(18) HB ILE 15 - HD3 LYS 90 OK 28 98 - 29 - 649=3, 3952/2.9=2...(13) HD2 LYS 90 - HG12 ILE 15 OK 27 92 - 29 - 3975=5, 679/2.1=3...(10) HB3 LEU 70 - HG12 ILE 15 OK 17 81 - 22 - 679/2.1=3, 671/1.8=2...(8) HD2 ARG 81 - HG12 ILE 15 OK 11 99 - 12 - 671/1.8=2, 679/2.1=2, 655/3.2=1 HB ILE 15 - HD2 LYS 12 OK 10 50 - 21 - 392/5.2=3, 649=2...(6) HB ILE 15 - HD3 LYS 12 OK 10 50 - 21 - 392/5.2=3, 649=2...(6) HD2 LYS 33 - HG12 ILE 15 lone 8 99 - 8 - 679/2.1=1, 671/1.8=1 HD3 LYS 33 - HG12 ILE 15 lone 8 99 - 8 - 679/2.1=1, 671/1.8=1 HD2 LYS 90 - HD3 LYS 12 poor 8 41 - 19 - 3975=3, 3975/1.8=2...(6) HD2 LYS 90 - HD2 LYS 12 poor 8 41 - 19 - 3975=3, 3975/1.8=2...(6) HB2 GLU 28 - HD3 LYS 90 lone 7 79 - 8 - 3952/2.9=1 HD3 LYS 33 - HD3 LYS 90 lone 5 96 - 5 - HD2 LYS 33 - HD3 LYS 90 lone 5 96 - 5 - HD2 ARG 81 - HD3 LYS 90 lone 3 97 - 3 - HB2 GLU 28 - HG12 ILE 15 lone 2 84 - 2 - HD3 LYS 33 - HD2 LYS 12 lone 2 47 - 3 - HD3 LYS 33 - HD3 LYS 12 lone 2 47 - 3 - HD2 LYS 33 - HD2 LYS 12 lone 2 47 - 3 - HD2 LYS 33 - HD3 LYS 12 lone 2 47 - 3 - HB3 LEU 70 - HD3 LYS 90 lone 2 76 - 2 - HB3 LEU 70 - HD2 LYS 12 lone 2 34 - 5 - HB3 LEU 70 - HD3 LYS 12 lone 2 34 - 5 - HD2 ARG 81 - HD3 LYS 12 lone 0 48 - 1 - HD2 ARG 81 - HD2 LYS 12 lone 0 48 - 1 - HB2 GLU 28 - HD2 LYS 12 lone 0 36 - 1 - HB2 GLU 28 - HD3 LYS 12 lone 0 36 - 1 - Peak 664 from cnoeabs.peaks (0.81, 1.69, 29.43 ppm; 3.12 A): 1 out of 40 assignments used, quality = 0.98: * QG2 ILE 15 + HG12 ILE 15 OK 98 100 - 98 - 3.2=93, 680/2.1=17...(22) QG2 ILE 7 - HG12 ILE 15 OK 42 90 - 47 - ~8470=9, ~8469=6...(12) QD2 LEU 70 - HG12 ILE 15 OK 40 100 - 41 - 3170=5, 672/1.8=5...(18) QG2 ILE 15 - HD3 LYS 90 OK 40 98 - 41 - 655/1.8=6, 657=5...(18) QD1 LEU 70 - HG12 ILE 15 OK 39 98 - 40 - 672/1.8=4, 680/2.1=4...(18) QD2 LEU 2 - HG12 ILE 15 OK 33 100 - 33 - 78=4, 672/1.8=4...(13) QG2 ILE 15 - HD3 LYS 12 OK 20 50 - 41 - 657=5, 657/1.8=3...(19) QG2 ILE 15 - HD2 LYS 12 OK 20 50 - 41 - 657=5, 657/1.8=3...(19) QD1 ILE 76 - HG12 ILE 15 OK 17 94 - 18 - 672/1.8=2, 680/2.1=2...(7) QD1 ILE 76 - HD3 LYS 90 lone 9 90 - 10 - 10283/3.6=1, ~10883=1, ~10285=1 QD2 LEU 57 - HD3 LYS 90 lone 6 76 - 8 - 2636/3.6=1, 2636/3.6=1 QD2 LEU 38 - HG12 ILE 15 lone 6 84 - 7 - QD2 LEU 57 - HG12 ILE 15 lone 5 81 - 7 - QD2 LEU 2 - HD3 LYS 12 poor 5 49 - 11 - 78=1, 78/1.8=1 QD2 LEU 2 - HD2 LYS 12 poor 5 49 - 11 - 78=1, 78/1.8=1 QD2 LEU 2 - HD3 LYS 90 lone 5 98 - 5 - QD1 LEU 57 - HD3 LYS 90 lone 4 61 - 7 - QD2 LEU 70 - HD2 LYS 12 lone 4 49 - 8 - QD2 LEU 70 - HD3 LYS 12 lone 4 49 - 8 - QD2 LEU 70 - HD3 LYS 90 lone 4 98 - 4 - QD1 LEU 70 - HD3 LYS 90 lone 4 95 - 4 - QD1 ILE 76 - HD2 LYS 12 lone 3 42 - 8 - QD1 ILE 76 - HD3 LYS 12 lone 3 42 - 8 - QD1 LEU 70 - HD2 LYS 12 lone 3 46 - 7 - QD1 LEU 70 - HD3 LYS 12 lone 3 46 - 7 - QG2 ILE 7 - HD3 LYS 90 lone 3 85 - 4 - QD1 LEU 57 - HG12 ILE 15 lone 3 65 - 5 - QG2 ILE 7 - HD2 LYS 12 lone 3 39 - 8 - 8267/3.0=1 QG2 ILE 7 - HD3 LYS 12 lone 3 39 - 8 - 8267/3.0=1 QD2 LEU 103 - HD3 LYS 90 lone 3 65 - 4 - QD2 LEU 103 - HG12 ILE 15 lone 2 70 - 2 - QD2 LEU 38 - HD3 LYS 90 lone 1 79 - 1 - QD2 LEU 38 - HD2 LYS 12 lone 1 36 - 3 - QD2 LEU 38 - HD3 LYS 12 lone 1 36 - 3 - QD2 LEU 57 - HD3 LYS 12 lone 1 34 - 2 - QD2 LEU 57 - HD2 LYS 12 lone 1 34 - 2 - QD2 LEU 103 - HD3 LYS 12 lone 0 28 - 1 - QD2 LEU 103 - HD2 LYS 12 lone 0 28 - 1 - QD1 LEU 57 - HD2 LYS 12 lone 0 26 - 1 - QD1 LEU 57 - HD3 LYS 12 lone 0 26 - 1 - Peak 665 from cnoeabs.peaks (1.69, 1.69, 29.43 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG12 ILE 15 + HG12 ILE 15 OK 100 100 - 100 HD3 LYS 90 + HD3 LYS 90 OK 97 97 - 100 HD2 LYS 12 + HD2 LYS 12 OK 45 45 - 100 HD3 LYS 12 + HD3 LYS 12 OK 45 45 - 100 Peak 666 from cnoeabs.peaks (0.75, 1.69, 29.43 ppm; 2.75 A): 2 out of 48 assignments used, quality = 1.00: * HG13 ILE 15 + HG12 ILE 15 OK 100 100 - 100 - 1.8=100 QD1 ILE 15 + HG12 ILE 15 OK 99 99 - 100 - 2.1=100 HG13 ILE 15 - HD3 LYS 90 OK 34 98 - 35 - 671/1.8=4, 673=4...(20) QD1 ILE 15 - HD3 LYS 90 OK 32 96 - 34 - 679/1.8=5, 681=4...(14) QG2 ILE 93 - HD3 LYS 90 OK 20 97 - 20 - 11000/2.9=3, 10027/5.2=3...(9) QD1 ILE 15 - HD2 LYS 12 OK 19 47 - 40 - 681=5, 8445/3.0=4...(16) QD1 ILE 15 - HD3 LYS 12 OK 19 47 - 40 - 681=5, 8445/3.0=4...(16) HG13 ILE 15 - HD2 LYS 12 OK 18 50 - 37 - 673=4, 2.1/681=3...(17) HG13 ILE 15 - HD3 LYS 12 OK 18 50 - 37 - 673=4, 2.1/681=3...(17) QD2 LEU 42 - HD3 LYS 90 OK 15 82 - 18 - 1946/2.9=2, 3.1/3981=2...(7) HG13 ILE 93 - HD3 LYS 90 OK 12 85 - 14 - ~10310=2, ~11000=2...(6) QD1 ILE 93 - HD3 LYS 90 OK 12 73 - 16 - 10025/5.2=2, ~10310=2...(6) HG3 ARG 81 - HG12 ILE 15 OK 11 77 - 14 - 650/2.9=2, ~3607=1, ~9747=1 QG1 VAL 54 - HG12 ILE 15 lone 8 97 - 8 - QG2 ILE 93 - HG12 ILE 15 lone 7 99 - 7 - HG13 ILE 93 - HG12 ILE 15 lone 7 90 - 8 - QD1 ILE 93 - HG12 ILE 15 lone 7 77 - 9 - QD2 LEU 42 - HG12 ILE 15 lone 6 87 - 7 - QD1 LEU 27 - HG12 ILE 15 lone 4 81 - 5 - QD1 LEU 27 - HD2 LYS 12 poor 4 34 - 12 - 1224/3.0=1, 10484/3.6=1 QD1 LEU 27 - HD3 LYS 12 poor 4 34 - 12 - 1224/3.0=1, 10484/3.6=1 QD1 LEU 6 - HG12 ILE 15 lone 3 73 - 4 - QG1 VAL 78 - HG12 ILE 15 lone 3 94 - 3 - QG1 VAL 54 - HD3 LYS 90 lone 3 93 - 3 - QG1 VAL 54 - HD2 LYS 12 lone 2 45 - 5 - 10658/5.2=1 QG1 VAL 54 - HD3 LYS 12 lone 2 45 - 5 - 10658/5.2=1 QD1 LEU 27 - HD3 LYS 90 lone 2 76 - 3 - HG3 ARG 81 - HD3 LYS 90 lone 2 73 - 3 - QG2 ILE 93 - HD2 LYS 12 lone 2 48 - 3 - QG2 ILE 93 - HD3 LYS 12 lone 2 48 - 3 - QD1 LEU 64 - HG12 ILE 15 lone 1 84 - 2 - QD2 LEU 42 - HD3 LYS 12 lone 1 37 - 4 - QD2 LEU 42 - HD2 LYS 12 lone 1 37 - 4 - QG1 VAL 78 - HD2 LYS 12 lone 1 42 - 2 - QG1 VAL 78 - HD3 LYS 12 lone 1 42 - 2 - QD1 ILE 93 - HD3 LYS 12 lone 1 32 - 3 - QD1 ILE 93 - HD2 LYS 12 lone 1 32 - 3 - HG13 ILE 93 - HD2 LYS 12 lone 1 39 - 2 - HG13 ILE 93 - HD3 LYS 12 lone 1 39 - 2 - QD1 LEU 64 - HD3 LYS 90 lone 1 79 - 1 - QD1 LEU 6 - HD3 LYS 90 lone 1 69 - 1 - QG1 VAL 78 - HD3 LYS 90 lone 1 90 - 1 - QD1 LEU 64 - HD3 LYS 12 lone 0 36 - 1 - QD1 LEU 64 - HD2 LYS 12 lone 0 36 - 1 - QD1 LEU 6 - HD3 LYS 12 lone 0 30 - 1 - QD1 LEU 6 - HD2 LYS 12 lone 0 30 - 1 - HG3 ARG 81 - HD2 LYS 12 lone 0 32 - 1 - HG3 ARG 81 - HD3 LYS 12 lone 0 32 - 1 - Peak 667 from cnoeabs.peaks (0.76, 1.69, 29.43 ppm; 2.75 A): 2 out of 48 assignments used, quality = 1.00: * QD1 ILE 15 + HG12 ILE 15 OK 100 100 - 100 - 2.1=100 HG13 ILE 15 + HG12 ILE 15 OK 99 99 - 100 - 1.8=100 QD1 ILE 15 - HD3 LYS 90 OK 33 98 - 34 - 679/1.8=5, 681=4...(14) HG13 ILE 15 - HD3 LYS 90 OK 33 96 - 35 - 671/1.8=4, 673=3...(20) QD1 ILE 15 - HD2 LYS 12 OK 20 50 - 41 - 681=5, 8445/3.0=4...(17) QD1 ILE 15 - HD3 LYS 12 OK 20 50 - 41 - 681=5, 8445/3.0=4...(17) QG2 ILE 93 - HD3 LYS 90 OK 17 90 - 19 - 11000/2.9=3, 10027/5.2=2...(9) QD2 LEU 42 - HD3 LYS 90 OK 17 93 - 19 - 1946/2.9=2, 1945/3.6=2...(7) HG13 ILE 15 - HD2 LYS 12 OK 17 47 - 37 - 673=4, 2.1/681=3...(17) HG13 ILE 15 - HD3 LYS 12 OK 17 47 - 37 - 673=4, 2.1/681=3...(17) QD1 ILE 93 - HD3 LYS 90 OK 16 88 - 18 - 10025/5.2=3, 4164/3.6=2...(7) HG13 ILE 93 - HD3 LYS 90 poor 9 69 - 14 - ~10310=2, ~11000=2...(5) QD1 ILE 93 - HG12 ILE 15 lone 9 92 - 9 - QG1 VAL 54 - HG12 ILE 15 lone 8 100 - 8 - QG2 ILE 93 - HG12 ILE 15 lone 7 94 - 7 - QD2 LEU 42 - HG12 ILE 15 lone 7 97 - 7 - QD1 LEU 27 - HD3 LYS 12 poor 6 42 - 14 - 1224/3.0=2, 10484/3.6=2...(4) QD1 LEU 27 - HD2 LYS 12 poor 6 42 - 14 - 1224/3.0=2, 10484/3.6=2...(4) HG13 ILE 93 - HG12 ILE 15 lone 5 73 - 7 - QD1 LEU 27 - HG12 ILE 15 lone 5 94 - 5 - QD1 LEU 6 - HG12 ILE 15 lone 4 90 - 4 - QD1 LEU 27 - HD3 LYS 90 lone 3 90 - 3 - QG1 VAL 54 - HD3 LYS 90 lone 3 98 - 3 - QG1 VAL 54 - HD2 LYS 12 lone 3 49 - 5 - 10658/5.2=1 QG1 VAL 54 - HD3 LYS 12 lone 3 49 - 5 - 10658/5.2=1 QG1 VAL 78 - HG12 ILE 15 lone 2 81 - 2 - QD2 LEU 42 - HD3 LYS 12 lone 2 45 - 4 - QD2 LEU 42 - HD2 LYS 12 lone 2 45 - 4 - QG2 ILE 93 - HD2 LYS 12 lone 1 42 - 3 - QG2 ILE 93 - HD3 LYS 12 lone 1 42 - 3 - QD1 ILE 93 - HD3 LYS 12 lone 1 41 - 3 - QD1 ILE 93 - HD2 LYS 12 lone 1 41 - 3 - QG2 ILE 52 - HG12 ILE 15 lone 1 61 - 2 - QD1 LEU 64 - HG12 ILE 15 lone 1 65 - 2 - QD1 LEU 6 - HD3 LYS 90 lone 1 85 - 1 - QG2 ILE 52 - HD3 LYS 90 lone 1 58 - 2 - QG2 ILE 52 - HD2 LYS 12 lone 1 24 - 4 - QG2 ILE 52 - HD3 LYS 12 lone 1 24 - 4 - HG13 ILE 93 - HD2 LYS 12 lone 1 30 - 2 - HG13 ILE 93 - HD3 LYS 12 lone 1 30 - 2 - QG1 VAL 78 - HD2 LYS 12 lone 1 34 - 2 - QG1 VAL 78 - HD3 LYS 12 lone 1 34 - 2 - QG1 VAL 78 - HD3 LYS 90 lone 0 76 - 1 - QD1 LEU 64 - HD3 LYS 90 lone 0 61 - 1 - QD1 LEU 6 - HD2 LYS 12 lone 0 39 - 1 - QD1 LEU 6 - HD3 LYS 12 lone 0 39 - 1 - QD1 LEU 64 - HD2 LYS 12 lone 0 26 - 1 - QD1 LEU 64 - HD3 LYS 12 lone 0 26 - 1 - Peak 668 from cnoeabs.peaks (8.02, 1.69, 29.43 ppm; 4.19 A): 4 out of 12 assignments used, quality = 0.94: * H GLU 16 + HG12 ILE 15 OK 72 100 - 72 - 6231/2.9=20, 660/3.2=17...(11) H GLY 101 + HG12 ILE 15 OK 45 97 - 46 - 684/2.1=9, 652/2.9=9...(10) H ARG 46 + HG12 ILE 15 OK 44 97 - 46 - 684/2.1=9, 652/2.9=9...(10) H GLU 16 + HD3 LYS 90 OK 28 98 - 29 - 3.6/662=6, 6231/1.8=4...(8) H ARG 46 - HD3 LYS 90 OK 18 93 - 20 - 6751/3.6=3, 6751/3.6=3...(6) H GLU 16 - HD2 LYS 12 OK 11 50 - 23 - 6225/5.2=4, 3.6/662=3...(8) H GLU 16 - HD3 LYS 12 OK 11 50 - 23 - 6225/5.2=4, 3.6/662=3...(8) H GLY 101 - HD3 LYS 90 lone 9 93 - 9 - 4.6/3979=3 H ARG 46 - HD3 LYS 12 lone 4 45 - 8 - H ARG 46 - HD2 LYS 12 lone 4 45 - 8 - H GLY 101 - HD2 LYS 12 lone 3 45 - 6 - H GLY 101 - HD3 LYS 12 lone 3 45 - 6 - Peak 669 from cnoeabs.peaks (8.07, 0.75, 29.43 ppm; 3.81 A): 2 out of 6 assignments used, quality = 0.96: * H ILE 15 + HG13 ILE 15 OK 91 100 - 91 - 4.6=55, 3.0/670=29...(16) H LYS 13 + HG13 ILE 15 OK 50 100 - 50 - 677/2.1=9, 3.6/8381=8...(13) H GLU 17 - HG13 ILE 15 OK 42 90 - 47 - 6247/4.1=19, 645/2.9=7...(8) H LYS 39 - HG13 ILE 15 OK 16 94 - 17 - 677/2.1=3, 653/3.2=2...(6) H SER 102 - HG13 ILE 15 OK 12 77 - 15 - 4.6/676=4, 3.6/8450=3...(6) H GLU 75 - HG13 ILE 15 OK 12 100 - 12 - 677/2.1=2, 645/2.9=2...(5) Peak 670 from cnoeabs.peaks (3.26, 0.75, 29.43 ppm; 3.78 A): 1 out of 1 assignment used, quality = 0.98: * HA ILE 15 + HG13 ILE 15 OK 98 100 - 98 - 4.1=81, 678/2.1=37...(32) Peak 671 from cnoeabs.peaks (1.73, 0.75, 29.43 ppm; 3.24 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 15 + HG13 ILE 15 OK 100 100 - 100 - 2.9=100 HD2 LYS 90 - HG13 ILE 15 OK 41 92 - 45 - 679/2.1=6, 3975/1.8=5...(25) HB3 LEU 70 - HG13 ILE 15 OK 31 81 - 39 - 679/2.1=5, 655/3.2=3...(19) HD2 ARG 81 - HG13 ILE 15 OK 25 99 - 25 - 679/2.1=3, 655/3.2=3...(14) HD2 LYS 33 - HG13 ILE 15 OK 16 99 - 16 - 679/2.1=2, 655/3.2=2...(6) HD3 LYS 33 - HG13 ILE 15 OK 16 99 - 16 - 679/2.1=2, 655/3.2=2...(6) HB2 GLU 28 - HG13 ILE 15 lone 4 84 - 5 - Peak 672 from cnoeabs.peaks (0.81, 0.75, 29.43 ppm; 2.93 A): 2 out of 10 assignments used, quality = 0.96: * QG2 ILE 15 + HG13 ILE 15 OK 93 100 - 93 - 3.2=78, 680/2.1=16...(22) QG2 ILE 7 + HG13 ILE 15 OK 41 90 - 46 - 3.0/8470=11, 3.2/10118=6...(14) QD2 LEU 70 - HG13 ILE 15 OK 31 100 - 32 - 680/2.1=4, 3170/1.8=4...(14) QD1 LEU 70 - HG13 ILE 15 OK 30 98 - 31 - 680/2.1=4, 648/2.9=3...(14) QD2 LEU 2 - HG13 ILE 15 OK 26 100 - 26 - 2.1/10118=4, 680/2.1=3...(11) QD1 ILE 76 - HG13 ILE 15 OK 15 94 - 16 - 3.2/10118=2, 680/2.1=2...(6) QD2 LEU 38 - HG13 ILE 15 lone 6 84 - 7 - QD2 LEU 57 - HG13 ILE 15 lone 5 81 - 6 - QD1 LEU 57 - HG13 ILE 15 lone 3 65 - 4 - QD2 LEU 103 - HG13 ILE 15 lone 1 70 - 2 - Peak 673 from cnoeabs.peaks (1.69, 0.75, 29.43 ppm; 3.13 A): 1 out of 20 assignments used, quality = 1.00: * HG12 ILE 15 + HG13 ILE 15 OK 100 100 - 100 - 1.8=100 HD3 LYS 12 - HG13 ILE 15 OK 45 97 - 47 - 681/2.1=4, 3.0/10853=3...(23) HD2 LYS 12 - HG13 ILE 15 OK 45 97 - 47 - 681/2.1=4, 3.0/10853=3...(23) HD3 LYS 90 - HG13 ILE 15 OK 43 100 - 43 - 1.8/671=6, 666=3...(22) HG LEU 70 - HG13 ILE 15 OK 34 99 - 34 - 2.1/672=4, 2.1/672=4...(17) HB2 LEU 2 - HG13 ILE 15 OK 29 96 - 31 - 3.1/10118=4, 12274/2.1=4...(13) HD2 LYS 13 - HG13 ILE 15 OK 27 97 - 28 - 3.0/10852=3, 681/2.1=2...(13) HD3 LYS 13 - HG13 ILE 15 OK 26 94 - 28 - 3.0/10852=3, 681/2.1=2...(13) HB3 LYS 40 - HG13 ILE 15 lone 9 92 - 9 - 3.0/8450=1 HD2 LYS 24 - HG13 ILE 15 lone 9 100 - 8 - HD3 LYS 24 - HG13 ILE 15 lone 9 100 - 8 - HD3 LYS 66 - HG13 ILE 15 lone 8 96 - 8 - HG2 PRO 86 - HG13 ILE 15 lone 5 100 - 5 - HD3 LYS 47 - HG13 ILE 15 lone 4 87 - 5 - HD2 LYS 47 - HG13 ILE 15 lone 4 84 - 5 - HB3 LYS 53 - HG13 ILE 15 lone 4 96 - 4 - HB3 ARG 91 - HG13 ILE 15 lone 3 90 - 4 - HG3 LYS 20 - HG13 ILE 15 lone 3 61 - 4 - HD2 LYS 20 - HG13 ILE 15 lone 2 73 - 3 - HD3 LYS 20 - HG13 ILE 15 lone 2 61 - 3 - Peak 674 from cnoeabs.peaks (0.75, 0.75, 29.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 15 + HG13 ILE 15 OK 100 100 - 100 Peak 675 from cnoeabs.peaks (0.76, 0.75, 29.43 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: HG13 ILE 15 + HG13 ILE 15 OK 99 99 - 100 Reference assignment not found: QD1 ILE 15 - HG13 ILE 15 Peak 676 from cnoeabs.peaks (8.02, 0.75, 29.43 ppm; 5.00 A): 3 out of 3 assignments used, quality = 0.98: * H GLU 16 + HG13 ILE 15 OK 89 100 - 89 - 3.6/670=39, 652/2.9=23...(14) H GLY 101 + HG13 ILE 15 OK 57 97 - 59 - 684/2.1=12, 652/2.9=11...(12) H ARG 46 + HG13 ILE 15 OK 55 97 - 56 - 684/2.1=12, 652/2.9=11...(12) Peak 677 from cnoeabs.peaks (8.07, 0.76, 13.00 ppm; 3.59 A): 3 out of 6 assignments used, quality = 0.96: * H ILE 15 + QD1 ILE 15 OK 86 100 - 86 - 5.0=37, 3.0/678=28...(17) H LYS 13 + QD1 ILE 15 OK 54 100 - 54 - 3.6/8381=9, 4.6/8438=8...(13) H GLU 17 + QD1 ILE 15 OK 40 90 - 45 - 6247/4.2=16, 4.6/684=7...(8) H LYS 39 - QD1 ILE 15 OK 17 94 - 18 - 653/3.0=2, 669/2.1=2...(7) H GLU 75 - QD1 ILE 15 OK 14 100 - 14 - 4.6/8437=3, 653/3.0=2...(5) H SER 102 - QD1 ILE 15 OK 12 77 - 15 - 4.6/684=4, 3.6/8446=3...(5) Peak 678 from cnoeabs.peaks (3.26, 0.76, 13.00 ppm; 3.61 A): 1 out of 1 assignment used, quality = 0.95: * HA ILE 15 + QD1 ILE 15 OK 95 100 - 95 - 4.2=65, 670/2.1=32...(29) Peak 679 from cnoeabs.peaks (1.73, 0.76, 13.00 ppm; 2.90 A): 2 out of 7 assignments used, quality = 0.94: * HB ILE 15 + QD1 ILE 15 OK 91 100 - 91 - 3.2=73, 3.0/678=18...(22) HD2 LYS 90 + QD1 ILE 15 OK 32 92 - 36 - 671/2.1=5, 3975/2.1=4...(19) HB3 LEU 70 - QD1 ILE 15 OK 25 81 - 31 - 671/2.1=3, 655/3.0=3...(13) HD2 ARG 81 - QD1 ILE 15 OK 18 99 - 18 - 671/2.1=3, 655/3.0=2...(5) HD2 LYS 33 - QD1 ILE 15 OK 12 99 - 12 - 671/2.1=2, 655/3.0=2...(4) HD3 LYS 33 - QD1 ILE 15 OK 12 99 - 12 - 671/2.1=2, 655/3.0=2...(4) HB2 GLU 28 - QD1 ILE 15 lone 5 84 - 6 - 4.0/8436=2 Peak 680 from cnoeabs.peaks (0.81, 0.76, 13.00 ppm; 2.40 A): 5 out of 10 assignments used, quality = 0.91: * QG2 ILE 15 + QD1 ILE 15 OK 77 100 - 77 - 3.0=52, 3.2/678=11...(21) QG2 ILE 7 + QD1 ILE 15 OK 28 90 - 31 - 3.0/8469=7, ~8470=4...(11) QD2 LEU 70 + QD1 ILE 15 OK 20 100 - 20 - 672/2.1=3, 3170/2.1=2...(7) QD1 LEU 70 + QD1 ILE 15 OK 19 98 - 20 - 672/2.1=2, 3.1/679=2...(6) QD2 LEU 2 + QD1 ILE 15 OK 15 100 - 16 - 672/2.1=2, 78/2.1=2...(5) QD1 ILE 76 - QD1 ILE 15 poor 10 94 - 10 - 672/2.1=1, 4.7/8437=1 QD2 LEU 38 - QD1 ILE 15 lone 4 84 - 4 - QD2 LEU 57 - QD1 ILE 15 lone 2 81 - 3 - QD1 LEU 57 - QD1 ILE 15 lone 1 65 - 2 - QD2 LEU 103 - QD1 ILE 15 lone 1 70 - 1 - Peak 681 from cnoeabs.peaks (1.69, 0.76, 13.00 ppm; 2.85 A): 1 out of 20 assignments used, quality = 1.00: * HG12 ILE 15 + QD1 ILE 15 OK 100 100 - 100 - 2.1=100 HD3 LYS 12 - QD1 ILE 15 OK 41 97 - 43 - 3.0/8445=4, 3.6/8466=4...(17) HD2 LYS 12 - QD1 ILE 15 OK 41 97 - 43 - 3.0/8445=4, 3.6/8466=4...(17) HD3 LYS 90 - QD1 ILE 15 OK 35 100 - 36 - 1.8/679=5, 667=3...(19) HG LEU 70 - QD1 ILE 15 OK 28 99 - 29 - 2.1/680=4, 2.1/680=4...(13) HD2 LYS 13 - QD1 ILE 15 OK 23 97 - 24 - 3.0/10852=3, 673/2.1=2...(10) HD3 LYS 13 - QD1 ILE 15 OK 22 94 - 24 - 3.0/10852=3, 673/2.1=2...(10) HB2 LEU 2 - QD1 ILE 15 OK 22 96 - 23 - 12274=3, 12274/2.1=2...(7) HB3 LYS 40 - QD1 ILE 15 lone 8 92 - 9 - 3.0/8446=2 HD3 LYS 66 - QD1 ILE 15 lone 8 96 - 8 - HD2 LYS 24 - QD1 ILE 15 lone 7 100 - 7 - HD3 LYS 24 - QD1 ILE 15 lone 7 100 - 7 - HG2 PRO 86 - QD1 ILE 15 lone 4 100 - 4 - HD3 LYS 47 - QD1 ILE 15 lone 3 87 - 4 - HG3 LYS 20 - QD1 ILE 15 lone 3 61 - 5 - 4.9/8436=2 HB3 LYS 53 - QD1 ILE 15 lone 3 96 - 3 - HB3 ARG 91 - QD1 ILE 15 lone 3 90 - 3 - HD2 LYS 47 - QD1 ILE 15 lone 3 84 - 4 - HD2 LYS 20 - QD1 ILE 15 lone 3 73 - 4 - 5.9/8436=1 HD3 LYS 20 - QD1 ILE 15 lone 2 61 - 4 - 5.9/8436=1 Peak 682 from cnoeabs.peaks (0.75, 0.76, 13.00 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: QD1 ILE 15 + QD1 ILE 15 OK 99 99 - 100 Reference assignment not found: HG13 ILE 15 - QD1 ILE 15 Peak 683 from cnoeabs.peaks (0.76, 0.76, 13.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 15 + QD1 ILE 15 OK 100 100 - 100 Peak 684 from cnoeabs.peaks (8.02, 0.76, 13.00 ppm; 4.37 A): 3 out of 3 assignments used, quality = 0.95: * H GLU 16 + QD1 ILE 15 OK 83 100 - 83 - 3.6/678=34, 6231/3.2=19...(15) H GLY 101 + QD1 ILE 15 OK 48 97 - 50 - 652/3.2=9, 660/3.0=9...(12) H ARG 46 + QD1 ILE 15 OK 47 97 - 48 - 660/3.0=9, 652/3.2=9...(10) Peak 685 from cnoeabs.peaks (8.02, 4.04, 59.03 ppm; 3.45 A): 1 out of 9 assignments used, quality = 1.00: * H GLU 16 + HA GLU 16 OK 100 100 - 100 - 3.0=100 H GLU 16 - HA LYS 20 OK 23 60 - 38 - 6236=7, 4.6/6249=3...(20) H GLY 101 - HA GLU 16 OK 23 97 - 23 - 6248/3.6=7, 704/3.0=4...(6) H GLU 16 - HA GLU 17 OK 23 36 - 64 - 6248/2.9=22, 6264/3.6=14...(17) H ARG 46 - HA GLU 16 OK 23 97 - 23 - 704/3.0=4, 696/3.0=4...(7) H GLY 101 - HA GLU 17 poor 5 32 - 16 - 6248/2.9=9, 6264/3.6=3, ~4450=1 H ARG 46 - HA GLU 17 poor 4 32 - 13 - 6248/2.9=4, 6264/3.6=3, 6236=1 H ARG 46 - HA LYS 20 lone 2 55 - 4 - H GLY 101 - HA LYS 20 lone 1 55 - 2 - Peak 686 from cnoeabs.peaks (4.04, 4.04, 59.03 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HA GLU 16 + HA GLU 16 OK 100 100 - 100 HA LYS 20 + HA LYS 20 OK 55 55 - 100 HA GLU 17 - HA GLU 17 OK 31 31 - 100 Peak 687 from cnoeabs.peaks (2.08, 4.04, 59.03 ppm; 3.26 A): 2 out of 30 assignments used, quality = 1.00: * HB2 GLU 16 + HA GLU 16 OK 100 100 - 100 - 3.0=100 HB2 GLU 23 + HA GLU 16 OK 50 90 - 57 - 1.8/1027=13, 1019=13...(21) HB2 GLU 16 - HA GLU 17 OK 22 36 - 61 - 6250/2.9=13, 697=12...(19) HB2 GLU 16 - HA LYS 20 OK 19 60 - 32 - 697=6, 1.8/705=4...(14) HB3 GLU 35 - HA GLU 16 OK 15 99 - 15 - 697=3, 6250/3.6=2...(5) HB2 GLU 23 - HA LYS 20 OK 14 48 - 30 - 1019=8, 1.8/1027=8...(7) HB3 GLU 43 - HA GLU 16 OK 12 90 - 13 - 6237/3.0=2, 1.8/693=1...(4) HB3 LEU 38 - HA GLU 16 OK 12 100 - 12 - 6237/3.0=2, 706/3.0=1 HB2 MET 74 - HA GLU 16 OK 10 84 - 12 - 6250/3.6=1, 2.9/10863=1 HB3 GLU 88 - HA GLU 16 lone 9 100 - 9 - 3.9/6372=2, 6250/3.6=1 HB2 GLU 23 - HA GLU 17 poor 8 28 - 29 - 1019=6, 1.8/1027=6...(10) HB3 GLU 88 - HA LYS 20 poor 6 60 - 11 - 10299/3.6=3, 3.9/6372=2 HB3 GLU 62 - HA GLU 16 lone 5 84 - 6 - 6250/3.6=1 HB3 LEU 38 - HA LYS 20 lone 5 59 - 8 - 10546/3.0=1 HB3 GLU 35 - HA GLU 17 poor 4 34 - 12 - 6250/2.9=2, 1019=2...(5) HB2 MET 74 - HA GLU 17 poor 3 25 - 11 - 2.9/10863=2, 6250/2.9=2...(4) HB3 GLU 35 - HA LYS 20 lone 3 58 - 5 - HB3 GLU 88 - HA GLU 17 lone 2 35 - 7 - 6250/2.9=1, 3.9/6372=1 HG2 GLU 28 - HA LYS 20 lone 2 46 - 5 - HG3 GLU 28 - HA LYS 20 lone 2 46 - 5 - HB3 GLU 62 - HA GLU 17 lone 2 25 - 8 - 2743/2.9=1, 6250/2.9=1 HB3 GLU 43 - HA LYS 20 lone 2 48 - 4 - HG3 GLU 28 - HA GLU 16 lone 1 87 - 2 - HG2 GLU 28 - HA GLU 16 lone 1 87 - 2 - HB3 LEU 38 - HA GLU 17 lone 1 35 - 4 - 6250/2.9=1 HB2 MET 74 - HA LYS 20 lone 1 44 - 2 - HB3 GLU 43 - HA GLU 17 lone 1 28 - 3 - HB3 GLU 62 - HA LYS 20 lone 1 44 - 2 - HG3 GLU 28 - HA GLU 17 lone 0 27 - 1 - HG2 GLU 28 - HA GLU 17 lone 0 27 - 1 - Peak 688 from cnoeabs.peaks (2.17, 4.04, 59.03 ppm; 3.25 A): 2 out of 24 assignments used, quality = 1.00: * HB3 GLU 16 + HA GLU 16 OK 100 100 - 100 - 3.0=100 HB3 GLU 23 + HA GLU 16 OK 48 87 - 56 - 1027=14, 1.8/1019=12...(21) HB3 GLU 16 - HA GLU 17 OK 21 36 - 60 - 705=11, 6251/2.9=11...(19) HB2 GLN 72 - HA GLU 16 OK 18 100 - 18 - 6251/3.6=4, 6238/3.0=2...(7) HB3 GLU 16 - HA LYS 20 OK 17 60 - 29 - 705=5, 1.8/697=4...(13) HB3 GLU 95 - HA GLU 16 OK 13 97 - 14 - 1027=2, 699/3.0=2, 6238/3.0=1 HB3 GLU 23 - HA LYS 20 OK 12 46 - 27 - 1027=8, 1.8/1019=7...(6) HB3 GLN 50 - HA GLU 16 OK 12 94 - 12 - 6251/3.6=1, 699/3.0=1...(4) HB2 GLN 72 - HA GLU 17 poor 10 35 - 28 - 6251/2.9=4, 3194/3.9=4...(11) HB3 GLU 23 - HA GLU 17 poor 7 27 - 28 - 1027=6, 1.8/1019=6...(10) HG2 GLU 75 - HA GLU 16 lone 5 97 - 5 - HG3 GLU 75 - HA GLU 16 lone 5 94 - 5 - HB3 GLN 50 - HA GLU 17 poor 4 30 - 12 - 6251/2.9=2, 2291/2.9=1...(5) HB2 GLN 72 - HA LYS 20 lone 1 60 - 2 - HB3 GLU 95 - HA LYS 20 lone 1 55 - 3 - HG2 GLU 104 - HA GLU 16 lone 1 65 - 2 - HG2 GLU 75 - HA GLU 17 lone 1 32 - 3 - HB3 GLU 95 - HA GLU 17 lone 1 32 - 3 - HG3 GLU 75 - HA GLU 17 lone 1 30 - 3 - HB3 GLN 50 - HA LYS 20 lone 1 52 - 2 - HG2 GLU 104 - HA LYS 20 lone 1 32 - 2 - HG2 GLU 75 - HA LYS 20 lone 0 55 - 1 - HG3 GLU 75 - HA LYS 20 lone 0 52 - 1 - HG2 GLU 104 - HA GLU 17 lone 0 18 - 1 - Peak 689 from cnoeabs.peaks (2.34, 4.04, 59.03 ppm; 3.67 A): 2 out of 15 assignments used, quality = 0.97: * HG2 GLU 16 + HA GLU 16 OK 95 100 - 95 - 4.1=72, 700/3.0=18...(16) HG2 GLU 48 + HA GLU 16 OK 41 99 - 42 - 708/3.0=7, 700/3.0=6...(12) HG2 GLU 16 - HA GLU 17 OK 21 36 - 59 - 6252/2.9=10, 712=9...(13) HG3 GLU 69 - HA GLU 16 OK 12 100 - 12 - 712=2, 708/3.0=2...(6) HG2 GLU 48 - HA GLU 17 OK 11 34 - 33 - 6252/2.9=7, 1.8/759=3...(14) HG3 GLU 43 - HA GLU 16 OK 10 73 - 13 - 6239/3.0=2, 708/3.0=2...(5) HG2 GLU 16 - HA LYS 20 poor 10 60 - 16 - 3.0/697=4, 3.0/705=3...(5) HG3 GLU 44 - HA GLU 16 lone 4 77 - 5 - 6239/3.0=1, 6252/3.6=1 HG2 GLU 48 - HA LYS 20 lone 3 58 - 6 - HG3 GLU 43 - HA LYS 20 lone 2 37 - 5 - HG3 GLU 44 - HA GLU 17 lone 2 22 - 7 - 6252/2.9=1 HG3 GLU 69 - HA GLU 17 lone 2 35 - 4 - 6252/2.9=2 HG3 GLU 44 - HA LYS 20 lone 1 40 - 3 - HG3 GLU 69 - HA LYS 20 lone 1 60 - 1 - HG3 GLU 43 - HA GLU 17 lone 1 21 - 4 - 6252/2.9=1 Peak 690 from cnoeabs.peaks (2.30, 4.04, 59.03 ppm; 3.59 A): 2 out of 18 assignments used, quality = 0.96: * HG3 GLU 16 + HA GLU 16 OK 93 100 - 93 - 4.1=68, 701/3.0=19...(15) HB2 GLU 48 + HA GLU 16 OK 41 100 - 42 - 701/3.0=7, 2234/4.1=7...(14) HG2 GLU 63 - HA GLU 16 OK 23 100 - 23 - 719=5, 701/3.0=4...(6) HG3 GLU 16 - HA GLU 17 OK 21 36 - 59 - 6253/2.9=12, 719=11...(13) HB2 GLU 48 - HA GLU 17 OK 11 36 - 31 - 6253/2.9=7, ~12267=3...(12) HG3 GLU 16 - HA LYS 20 OK 11 60 - 18 - 3.0/697=4, 719=3...(6) HD3 ARG 81 - HA GLU 16 lone 6 92 - 7 - 6240/3.0=2, ~6231=1 HB2 GLU 48 - HA LYS 20 lone 6 60 - 9 - HB2 TYR 4 - HA GLU 16 lone 4 97 - 4 - HG2 GLU 63 - HA GLU 17 lone 3 35 - 7 - 6253/2.9=3, 719=1 HG2 GLU 63 - HA LYS 20 lone 2 59 - 4 - HB2 TYR 41 - HA GLU 16 lone 2 73 - 2 - HB2 TYR 4 - HA LYS 20 lone 1 55 - 2 - HB2 TYR 4 - HA GLU 17 lone 1 32 - 2 - HD3 ARG 81 - HA LYS 20 lone 1 50 - 1 - HD3 ARG 81 - HA GLU 17 lone 1 29 - 2 - HB2 TYR 41 - HA GLU 17 lone 0 21 - 2 - HB2 TYR 41 - HA LYS 20 lone 0 37 - 1 - Peak 691 from cnoeabs.peaks (8.06, 4.04, 59.03 ppm; 3.36 A): 2 out of 21 assignments used, quality = 0.96: * H GLU 17 + HA GLU 16 OK 93 100 - 93 - 3.6=83, 6248/3.0=21...(16) H GLU 17 + HA GLU 17 OK 36 36 - 100 - 2.9=100 H GLU 17 - HA LYS 20 OK 30 60 - 50 - 6249=9, ~732=5...(22) H ILE 15 - HA GLU 16 OK 30 90 - 33 - 6222/3.0=14, 4.0/10122=5...(8) H LYS 13 - HA GLU 16 OK 21 87 - 25 - 6229/3.0=4, ~492=4...(10) H SER 102 - HA GLU 16 OK 14 99 - 14 - 7636/3.0=5, 710/3.0=2...(6) H ILE 15 - HA GLU 17 OK 11 28 - 41 - ~6247=9, 8460/5.0=8...(11) H GLU 75 - HA GLU 16 poor 10 84 - 11 - 710/3.0=2, 702/3.0=2...(4) H ILE 15 - HA LYS 20 poor 5 48 - 11 - 4.6/6236=2, 8460/8491=1 H LYS 90 - HA GLU 16 lone 4 70 - 5 - ~6228=1 H LYS 13 - HA GLU 17 poor 4 27 - 13 - 751/3.9=2, ~10427=2...(8) H LYS 90 - HA GLU 17 poor 3 20 - 18 - 736/2.9=2, ~6245=2...(9) H SER 102 - HA GLU 17 lone 3 34 - 8 - 6266/3.6=1, 736/2.9=1 H LYS 39 - HA GLU 16 lone 3 57 - 4 - 6229/3.0=1 H GLU 75 - HA GLU 17 lone 2 25 - 9 - 4.8/10863=2, 7239/2.9=1 H SER 102 - HA LYS 20 lone 2 59 - 3 - H LYS 13 - HA LYS 20 lone 1 46 - 3 - H GLU 75 - HA LYS 20 lone 1 44 - 2 - H LYS 90 - HA LYS 20 lone 1 35 - 2 - H LYS 39 - HA GLU 17 lone 1 16 - 4 - H LYS 39 - HA LYS 20 lone 0 28 - 1 - Peak 692 from cnoeabs.peaks (8.90, 4.04, 59.03 ppm; 4.05 A): 4 out of 9 assignments used, quality = 0.88: * H ARG 19 + HA GLU 16 OK 60 100 - 60 - 6260/3.6=18, 6278=13...(14) H ARG 19 + HA LYS 20 OK 49 60 - 81 - 6298/2.9=28, 6278=17...(20) H ARG 19 + HA GLU 17 OK 27 36 - 76 - 6281/3.6=26, 6260/2.9=21...(17) H ASP 77 + HA GLU 16 OK 21 90 - 23 - 10416/3.0=5, 4.3/9638=5...(6) H ASP 77 - HA LYS 20 poor 9 48 - 19 - 6298/2.9=6, 6320/3.6=3...(6) H ASP 77 - HA GLU 17 poor 6 28 - 22 - 6260/2.9=5, 6274/3.6=4...(5) H VAL 5 - HA GLU 16 lone 4 65 - 6 - 6260/3.6=1 H VAL 5 - HA LYS 20 lone 3 32 - 9 - 6298/2.9=3, 6320/3.6=2 H VAL 5 - HA GLU 17 lone 1 18 - 7 - 6274/3.6=2, 776/5.0=2 Peak 693 from cnoeabs.peaks (1.89, 4.04, 59.03 ppm; 3.17 A): 8 out of 21 assignments used, quality = 0.94: HB2 LYS 20 + HA LYS 20 OK 59 59 - 100 - 3.0=100 HB2 ARG 19 + HA LYS 20 OK 43 60 - 72 - 1.8/798=11, 788=10...(27) * HB2 ARG 19 + HA GLU 16 OK 29 100 - 29 - 1.8/798=6, 788=5...(9) HB2 LYS 20 + HA GLU 16 OK 29 100 - 29 - 1.8/872=4, 860=4...(8) HB2 LYS 20 + HA GLU 17 OK 16 35 - 45 - 1.8/872=8, 860=7...(18) HB2 ARG 19 + HA GLU 17 OK 15 36 - 43 - 1.8/798=8, 10439/5.0=8...(12) HB ILE 8 + HA LYS 20 OK 15 59 - 25 - 873/3.0=3, 6300/2.9=2...(10) HB3 LEU 14 + HA GLU 16 OK 13 92 - 14 - 8475/3.0=4, ~8474=3...(5) HB VAL 54 - HA LYS 20 poor 10 55 - 18 - 6300/2.9=3, ~8528=3...(9) HB2 GLU 43 - HA GLU 16 poor 9 81 - 10 - 8475/3.0=1, 1.8/687=1 HB3 LEU 14 - HA GLU 17 poor 8 29 - 29 - ~593=4, ~6245=4, ~592=4...(14) HB ILE 8 - HA GLU 16 lone 6 100 - 6 - 2.1/8530=1 HG LEU 42 - HA LYS 20 lone 5 59 - 8 - 6324/3.6=1 HB VAL 54 - HA GLU 16 lone 5 97 - 5 - HB3 LEU 14 - HA LYS 20 lone 3 50 - 7 - HG LEU 42 - HA GLU 17 lone 3 34 - 10 - ~12026=2, 10340/2.9=2, ~10342=1 HG LEU 42 - HA GLU 16 lone 3 99 - 3 - HB ILE 8 - HA GLU 17 lone 3 35 - 8 - HB VAL 54 - HA GLU 17 lone 2 32 - 5 - 2492/3.6=1 HB2 GLU 43 - HA LYS 20 lone 2 42 - 4 - HB2 GLU 43 - HA GLU 17 lone 1 24 - 2 - Peak 694 from cnoeabs.peaks (1.93, 4.04, 59.03 ppm; 3.05 A): 6 out of 36 assignments used, quality = 0.93: HB3 LYS 20 + HA LYS 20 OK 58 58 - 100 - 3.0=100 HB3 ARG 19 + HA LYS 20 OK 41 60 - 68 - 798=12, 6301/2.9=9...(27) HB3 LYS 20 + HA GLU 16 OK 29 99 - 30 - 872=5, 1.8/860=4...(8) * HB3 ARG 19 + HA GLU 16 OK 29 100 - 29 - 798=6, 3.9/692=4...(10) HB2 GLU 17 + HA GLU 17 OK 27 27 - 100 - 2.9=100 HB2 GLU 17 + HA GLU 16 OK 24 87 - 28 - 6255/3.6=7, 1.8/745=3...(9) HB2 GLU 17 - HA LYS 20 OK 21 46 - 46 - 737=5, 1.8/745=5...(21) HB3 ARG 19 - HA GLU 17 OK 15 36 - 43 - 798=8, 10440/5.0=7...(13) HB3 LYS 20 - HA GLU 17 OK 15 34 - 45 - 872=9, 1.8/860=6...(20) HB2 LYS 13 - HA GLU 16 poor 10 84 - 12 - ~492=3, ~6226=2, ~493=1...(6) HB2 MET 1 - HA GLU 17 poor 10 27 - 36 - 11/2.9=4, 872=3...(19) HB3 LYS 13 - HA GLU 16 poor 9 77 - 12 - ~492=3, ~6226=2, ~493=1...(5) HB2 LYS 94 - HA LYS 20 poor 7 55 - 13 - 6301/2.9=1, 862/3.0=1 HB3 LYS 47 - HA LYS 20 lone 5 58 - 9 - 896/3.7=1 HB2 MET 1 - HA GLU 16 lone 5 87 - 6 - 6255/3.6=2 HG3 GLU 88 - HA GLU 16 lone 4 81 - 5 - HB2 MET 1 - HA LYS 20 lone 4 46 - 9 - 6325/3.6=1 HB VAL 32 - HA LYS 20 lone 4 48 - 8 - 10153/2.9=1 HB3 LYS 47 - HA GLU 16 lone 4 99 - 4 - HG3 GLU 88 - HA LYS 20 lone 3 42 - 8 - 6325/3.6=1 HB2 LYS 94 - HA GLU 17 lone 3 32 - 9 - HB VAL 32 - HA GLU 16 lone 2 90 - 2 - HB2 LYS 94 - HA GLU 16 lone 2 97 - 2 - HB2 LYS 13 - HA GLU 17 lone 1 25 - 6 - ~10427=1, ~6244=1 HB3 LYS 47 - HA GLU 17 lone 1 34 - 4 - HG3 GLU 88 - HA GLU 17 lone 1 24 - 5 - HB3 LYS 13 - HA GLU 17 lone 1 22 - 5 - ~10427=1, ~6244=1 HB VAL 32 - HA GLU 17 lone 1 28 - 4 - HB2 LYS 33 - HA GLU 16 lone 1 87 - 1 - HB2 LYS 13 - HA LYS 20 lone 1 44 - 1 - HB2 LYS 33 - HA LYS 20 lone 1 46 - 1 - HB3 LYS 33 - HA LYS 20 lone 0 42 - 1 - HB3 LYS 33 - HA GLU 16 lone 0 81 - 1 - HB3 LYS 13 - HA LYS 20 lone 0 40 - 1 - HB2 LYS 33 - HA GLU 17 lone 0 27 - 1 - HB3 LYS 33 - HA GLU 17 lone 0 24 - 0 - Peak 695 from cnoeabs.peaks (4.15, 2.08, 29.20 ppm; 3.01 A): 5 out of 14 assignments used, quality = 0.68: HA GLU 23 + HB2 GLU 16 OK 36 96 - 39 - 703/1.8=7, 1014=6...(18) * HA LYS 13 + HB2 GLU 16 OK 22 100 - 23 - 492/4.0=6, 493=6...(6) HA GLN 72 + HB2 GLU 16 OK 17 100 - 17 - 703/1.8=4, 493=3...(5) HA MET 1 + HB3 GLU 35 OK 13 82 - 16 - 4/1.8=3, 5/2.9=3...(6) HB2 SER 59 + HB2 GLU 16 OK 11 99 - 10 - 703/1.8=2, 2681/3.0=2, 1.8/697=2 HA MET 1 - HB2 GLU 16 lone 6 100 - 6 - 10427/4.6=2, 703/1.8=1 HA LYS 47 - HB2 GLU 16 lone 6 90 - 6 - ~9029=1, 703/1.8=1 HA GLU 23 - HB3 GLU 35 lone 5 75 - 6 - 1014=1 HA LYS 73 - HB2 GLU 16 lone 3 70 - 5 - HA LYS 13 - HB3 GLU 35 lone 3 83 - 3 - HA LYS 47 - HB3 GLU 35 lone 2 68 - 3 - HA GLN 72 - HB3 GLU 35 lone 2 83 - 2 - HA LYS 73 - HB3 GLU 35 lone 1 51 - 3 - HB2 SER 59 - HB3 GLU 35 lone 1 81 - 1 - Peak 696 from cnoeabs.peaks (8.02, 2.08, 29.20 ppm; 3.36 A): 4 out of 6 assignments used, quality = 0.91: * H GLU 16 + HB2 GLU 16 OK 84 100 - 84 - 4.0=59, 704/1.8=22...(12) H ARG 46 + HB2 GLU 16 OK 20 97 - 20 - 704/1.8=6, 718/3.0=3...(6) H GLY 101 + HB2 GLU 16 OK 19 97 - 20 - 704/1.8=5, 6248/4.6=5...(6) H GLU 16 + HB3 GLU 35 OK 11 83 - 13 - 6237=3, 3.0/697=1...(5) H ARG 46 - HB3 GLU 35 lone 4 77 - 5 - 1958/3.0=2 H GLY 101 - HB3 GLU 35 lone 3 77 - 4 - Peak 697 from cnoeabs.peaks (4.04, 2.08, 29.20 ppm; 3.18 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 16 + HB2 GLU 16 OK 100 100 - 100 - 3.0=100 HA GLU 17 + HB2 GLU 16 OK 53 96 - 55 - 2.9/6250=12, 705/1.8=8...(19) HA LYS 20 - HB2 GLU 16 OK 28 97 - 29 - 856=5, 857/1.8=4...(11) HA GLU 16 - HB3 GLU 35 OK 12 83 - 14 - 687=2, 3.6/6250=2...(4) HB3 SER 59 - HB2 GLU 16 OK 12 96 - 12 - 1.8/695=3, 705/1.8=2...(4) HA GLU 17 - HB3 GLU 35 poor 8 75 - 10 - 2.9/6250=2, 728/1.8=2 HB2 SER 49 - HB2 GLU 16 lone 7 84 - 9 - ~9051=1, 705/1.8=1...(5) HA LYS 20 - HB3 GLU 35 lone 3 77 - 4 - HB2 SER 49 - HB3 GLU 35 lone 1 63 - 2 - HB3 SER 59 - HB3 GLU 35 lone 1 75 - 1 - Peak 698 from cnoeabs.peaks (2.08, 2.08, 29.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 16 + HB2 GLU 16 OK 100 100 - 100 HB3 GLU 35 + HB3 GLU 35 OK 80 80 - 100 Peak 699 from cnoeabs.peaks (2.17, 2.08, 29.20 ppm; 2.40 A): 1 out of 16 assignments used, quality = 1.00: * HB3 GLU 16 + HB2 GLU 16 OK 100 100 - 100 - 1.8=100 HB3 GLU 23 - HB2 GLU 16 OK 26 87 - 31 - 3.0/695=4, 1027/3.0=4...(13) HB2 GLN 72 - HB2 GLU 16 OK 10 100 - 10 - 3.0/695=2, 6251/4.6=1 HB3 GLU 95 - HB2 GLU 16 lone 9 97 - 9 - 706=1 HB3 GLU 16 - HB3 GLU 35 lone 8 83 - 10 - 706=2 HB3 GLN 50 - HB2 GLU 16 lone 7 94 - 8 - 706=1 HB3 GLU 23 - HB3 GLU 35 lone 3 66 - 5 - HG2 GLU 75 - HB2 GLU 16 lone 3 97 - 3 - HG3 GLU 75 - HB2 GLU 16 lone 3 94 - 3 - HB3 GLU 95 - HB3 GLU 35 lone 2 77 - 3 - HB3 GLN 50 - HB3 GLU 35 lone 1 73 - 1 - HB2 GLN 72 - HB3 GLU 35 lone 1 82 - 1 - HG2 GLU 104 - HB2 GLU 16 lone 1 65 - 1 - HG2 GLU 75 - HB3 GLU 35 lone 1 77 - 1 - HG3 GLU 75 - HB3 GLU 35 lone 1 73 - 1 - HG2 GLU 104 - HB3 GLU 35 lone 0 47 - 1 - Peak 700 from cnoeabs.peaks (2.34, 2.08, 29.20 ppm; 2.88 A): 1 out of 10 assignments used, quality = 0.95: * HG2 GLU 16 + HB2 GLU 16 OK 95 100 - 95 - 3.0=87, 714/1.8=18...(14) HG2 GLU 48 - HB2 GLU 16 OK 34 99 - 35 - 708/1.8=6, 713=6...(14) HG3 GLU 43 - HB3 GLU 35 OK 17 54 - 33 - 1987=3, 3.0/1965=2...(17) HG3 GLU 69 - HB2 GLU 16 OK 10 100 - 10 - 713=3, 708/1.8=2, 722/3.0=1 HG2 GLU 16 - HB3 GLU 35 poor 9 83 - 10 - 713=2, 1.8/720=2, 3.0/706=1 HG3 GLU 43 - HB2 GLU 16 lone 7 73 - 10 - 708/1.8=1 HG3 GLU 44 - HB2 GLU 16 lone 3 77 - 4 - HG3 GLU 44 - HB3 GLU 35 lone 2 57 - 3 - HG2 GLU 48 - HB3 GLU 35 lone 1 80 - 2 - HG3 GLU 69 - HB3 GLU 35 lone 1 82 - 1 - Peak 701 from cnoeabs.peaks (2.30, 2.08, 29.20 ppm; 2.71 A): 3 out of 12 assignments used, quality = 0.93: * HG3 GLU 16 + HB2 GLU 16 OK 87 100 - 87 - 3.0=73, 721/1.8=16...(13) HB2 GLU 48 + HB2 GLU 16 OK 32 100 - 32 - 2234/3.0=5, 709/1.8=5...(13) HG2 GLU 63 + HB2 GLU 16 OK 20 100 - 20 - 720=4, 721/1.8=4...(8) HG3 GLU 16 - HB3 GLU 35 poor 8 83 - 10 - 720=2, 1.8/713=1, 3.0/706=1 HG2 GLU 63 - HB3 GLU 35 lone 5 82 - 6 - 720=1 HD3 ARG 81 - HB2 GLU 16 lone 4 92 - 5 - HB2 TYR 4 - HB2 GLU 16 lone 3 97 - 3 - HB2 TYR 41 - HB3 GLU 35 lone 2 54 - 3 - HB2 TYR 41 - HB2 GLU 16 lone 1 73 - 2 - HB2 GLU 48 - HB3 GLU 35 lone 1 83 - 1 - HD3 ARG 81 - HB3 GLU 35 lone 0 71 - 0 - HB2 TYR 4 - HB3 GLU 35 lone 0 77 - 0 - Peak 702 from cnoeabs.peaks (8.06, 2.08, 29.20 ppm; 3.44 A): 6 out of 14 assignments used, quality = 0.91: * H GLU 17 + HB2 GLU 16 OK 77 100 - 77 - 4.6=43, 6251/1.8=16...(12) H ILE 15 + HB2 GLU 16 OK 25 90 - 28 - 6222/4.0=10, 710/1.8=4...(7) H LYS 13 + HB2 GLU 16 OK 19 87 - 23 - 2.9/695=5, 710/1.8=4...(8) H SER 102 + HB2 GLU 16 OK 15 99 - 14 - 7636/4.0=4, 710/1.8=3...(6) H GLU 75 + HB2 GLU 16 OK 14 84 - 16 - 710/1.8=3, 724/3.0=1...(4) H GLU 17 + HB3 GLU 35 OK 13 83 - 16 - 6250=5, 6256/1.8=3...(5) H LYS 39 - HB3 GLU 35 poor 8 41 - 19 - 3.6/1618=3, ~8951=3...(8) H GLU 75 - HB3 GLU 35 poor 6 63 - 10 - 7239/1.8=2 H LYS 90 - HB3 GLU 35 lone 5 51 - 9 - 4.5/7403=1, 3.6/9933=1 H LYS 90 - HB2 GLU 16 lone 4 70 - 6 - H LYS 39 - HB2 GLU 16 lone 4 57 - 7 - 3.6/1618=1 H ILE 15 - HB3 GLU 35 lone 3 68 - 5 - 4.6/696=1 H SER 102 - HB3 GLU 35 lone 2 81 - 3 - H LYS 13 - HB3 GLU 35 lone 2 66 - 3 - Peak 703 from cnoeabs.peaks (4.15, 2.17, 29.20 ppm; 3.18 A): 7 out of 21 assignments used, quality = 0.83: HA GLU 23 + HB3 GLU 16 OK 42 96 - 45 - 695/1.8=10, 1015=5...(19) * HA LYS 13 + HB3 GLU 16 OK 26 100 - 26 - 492/4.0=7, 695/1.8=6...(6) HA GLN 72 + HB3 GLU 16 OK 24 100 - 24 - 695/1.8=5, 3184=4...(8) HA GLN 72 + HB3 GLU 95 OK 17 54 - 32 - 3184=5, 3187/2.9=4...(15) HA GLU 23 + HB3 GLU 95 OK 16 48 - 33 - 1015=5, 1016/2.9=4...(13) HA GLN 72 + HB3 GLN 50 OK 14 49 - 28 - 3184=4, 3.0/3202=3...(15) HB2 SER 59 + HB3 GLU 16 OK 12 99 - 12 - 695/1.8=3, 2681/3.0=2...(5) HA MET 1 - HB3 GLU 16 lone 7 100 - 7 - 10427/4.6=3, 695/1.8=2 HA LYS 47 - HB3 GLU 16 lone 7 90 - 8 - 695/1.8=2, ~9029=2, 6226/4.0=1 HA LYS 73 - HB3 GLU 16 lone 5 70 - 7 - 3.0/7198=1, 4.8/10865=1 HB2 SER 59 - HB3 GLU 95 lone 4 52 - 7 - ~4286=2, 2681/3.0=1, ~4308=1 HA LYS 73 - HB3 GLU 95 poor 3 31 - 11 - 3.0/7198=3, ~9578=2...(5) HA LYS 73 - HB3 GLN 50 lone 2 28 - 7 - 4.8/10865=1, 3.0/7198=1 HA MET 1 - HB3 GLU 95 lone 2 53 - 3 - HA MET 1 - HB3 GLN 50 lone 2 48 - 3 - HA LYS 13 - HB3 GLU 95 lone 1 54 - 3 - HA LYS 13 - HB3 GLN 50 lone 1 49 - 2 - HA GLU 23 - HB3 GLN 50 lone 1 43 - 3 - HA LYS 47 - HB3 GLN 50 lone 1 39 - 2 - HA LYS 47 - HB3 GLU 95 lone 1 43 - 1 - HB2 SER 59 - HB3 GLN 50 lone 0 47 - 1 - Peak 704 from cnoeabs.peaks (8.02, 2.17, 29.20 ppm; 3.36 A): 3 out of 9 assignments used, quality = 0.89: * H GLU 16 + HB3 GLU 16 OK 83 100 - 83 - 4.0=59, 696/1.8=21...(11) H ARG 46 + HB3 GLU 16 OK 21 97 - 22 - 696/1.8=5, 6238=3...(8) H GLY 101 + HB3 GLU 16 OK 19 97 - 19 - 696/1.8=5, 6248/4.6=5...(6) H GLU 16 - HB3 GLU 95 lone 4 54 - 8 - 6238=2, 3.0/688=1, 4.0/699=1 H GLU 16 - HB3 GLN 50 lone 4 49 - 7 - 6238=2, 3.0/688=1...(4) H ARG 46 - HB3 GLN 50 lone 1 45 - 3 - H GLY 101 - HB3 GLU 95 lone 1 49 - 2 - H ARG 46 - HB3 GLU 95 lone 1 49 - 2 - H GLY 101 - HB3 GLN 50 lone 1 45 - 2 - Peak 705 from cnoeabs.peaks (4.04, 2.17, 29.20 ppm; 3.10 A): 2 out of 15 assignments used, quality = 1.00: * HA GLU 16 + HB3 GLU 16 OK 100 100 - 100 - 3.0=100 HA GLU 17 + HB3 GLU 16 OK 50 96 - 52 - 2.9/6251=10, 697/1.8=8...(17) HA LYS 20 - HB3 GLU 16 OK 24 97 - 25 - 857=4, 697/1.8=4...(9) HB3 SER 59 - HB3 GLU 16 OK 11 96 - 11 - 1.8/703=2, ~695=2...(4) HB2 SER 49 - HB3 GLU 16 lone 8 84 - 10 - 4.3/6814=1, 3.0/9051=1...(6) HB2 SER 49 - HB3 GLN 50 poor 7 35 - 21 - 4.3/6814=6, ~9052=4...(8) HA GLU 16 - HB3 GLU 95 poor 7 54 - 12 - 688=2, 3.0/699=1, 3.0/6238=1 HA GLU 16 - HB3 GLN 50 poor 6 49 - 12 - 688=2, 3.6/6251=1...(4) HA GLU 17 - HB3 GLN 50 poor 5 43 - 12 - 2.9/6251=2, 6810/4.0=1...(4) HB3 SER 59 - HB3 GLU 95 lone 2 48 - 5 - HA GLU 17 - HB3 GLU 95 lone 1 48 - 3 - HA LYS 20 - HB3 GLU 95 lone 1 49 - 2 - HA LYS 20 - HB3 GLN 50 lone 1 45 - 2 - HB2 SER 49 - HB3 GLU 95 lone 1 39 - 1 - HB3 SER 59 - HB3 GLN 50 lone 0 43 - 1 - Peak 706 from cnoeabs.peaks (2.08, 2.17, 29.20 ppm; 2.40 A): 1 out of 30 assignments used, quality = 1.00: * HB2 GLU 16 + HB3 GLU 16 OK 100 100 - 100 - 1.8=100 HB2 GLU 23 - HB3 GLU 16 OK 26 90 - 29 - 1019/3.0=4, 1023=3...(15) HB2 GLU 23 - HB3 GLU 95 OK 12 43 - 28 - 1023=4, ~4288=3...(11) HB3 GLU 35 - HB3 GLU 16 lone 9 99 - 9 - 699=2 HB3 LEU 38 - HB3 GLU 16 lone 6 100 - 6 - HB3 GLU 43 - HB3 GLU 16 lone 6 90 - 6 - HB2 GLU 16 - HB3 GLU 95 lone 5 54 - 10 - 699=2 HB2 MET 74 - HB3 GLU 16 lone 5 84 - 5 - HB2 GLU 16 - HB3 GLN 50 lone 4 49 - 9 - 699=2 HB3 GLU 88 - HB3 GLU 16 lone 3 100 - 3 - HB3 GLU 62 - HB3 GLU 16 lone 3 84 - 3 - HB3 GLU 62 - HB3 GLU 95 lone 2 39 - 6 - HB2 MET 74 - HB3 GLU 95 lone 2 39 - 5 - HB2 MET 74 - HB3 GLN 50 lone 2 35 - 4 - 3.0/10865=1 HB3 GLU 35 - HB3 GLU 95 lone 1 51 - 3 - HB3 LEU 38 - HB3 GLN 50 lone 1 48 - 2 - HG2 GLU 28 - HB3 GLU 16 lone 1 87 - 1 - HG3 GLU 28 - HB3 GLU 16 lone 1 87 - 1 - HB3 GLU 88 - HB3 GLU 95 lone 1 53 - 1 - HB3 GLU 35 - HB3 GLN 50 lone 1 47 - 1 - HB3 GLU 62 - HB3 GLN 50 lone 1 35 - 1 - HB3 GLU 43 - HB3 GLU 95 lone 0 43 - 1 - HB3 LEU 38 - HB3 GLU 95 lone 0 53 - 1 - HB3 GLU 43 - HB3 GLN 50 lone 0 39 - 1 - HB2 GLU 23 - HB3 GLN 50 lone 0 39 - 1 - HB3 GLU 88 - HB3 GLN 50 lone 0 49 - 0 - HG3 GLU 28 - HB3 GLU 95 lone 0 41 - 0 - HG2 GLU 28 - HB3 GLU 95 lone 0 41 - 0 - HG3 GLU 28 - HB3 GLN 50 lone 0 37 - 0 - HG2 GLU 28 - HB3 GLN 50 lone 0 37 - 0 - Peak 707 from cnoeabs.peaks (2.17, 2.17, 29.20 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB3 GLU 16 + HB3 GLU 16 OK 100 100 - 100 HB3 GLU 95 + HB3 GLU 95 OK 49 49 - 100 HB3 GLN 50 - HB3 GLN 50 OK 42 42 - 100 Peak 708 from cnoeabs.peaks (2.34, 2.17, 29.20 ppm; 3.11 A): 1 out of 15 assignments used, quality = 1.00: * HG2 GLU 16 + HB3 GLU 16 OK 100 100 - 100 - 3.0=100 HG2 GLU 48 - HB3 GLU 16 OK 41 99 - 42 - 700/1.8=7, 714=6...(16) HG3 GLU 69 - HB3 GLU 16 OK 12 100 - 11 - 700/1.8=2, 714=2...(5) HG3 GLU 43 - HB3 GLU 16 poor 8 73 - 11 - 700/1.8=2 HG2 GLU 48 - HB3 GLN 50 poor 7 47 - 15 - ~2286=2, 10807/4.0=2...(7) HG2 GLU 16 - HB3 GLU 95 poor 7 54 - 12 - 1.8/721=2, 714=2...(4) HG2 GLU 16 - HB3 GLN 50 poor 6 49 - 13 - 714=2, 10807/4.0=2...(4) HG3 GLU 44 - HB3 GLU 16 lone 3 77 - 4 - HG3 GLU 69 - HB3 GLN 50 lone 1 49 - 2 - HG2 GLU 48 - HB3 GLU 95 lone 1 51 - 1 - HG3 GLU 43 - HB3 GLU 95 lone 1 33 - 2 - HG3 GLU 43 - HB3 GLN 50 lone 0 29 - 2 - HG3 GLU 69 - HB3 GLU 95 lone 0 53 - 1 - HG3 GLU 44 - HB3 GLU 95 lone 0 35 - 0 - HG3 GLU 44 - HB3 GLN 50 lone 0 31 - 0 - Peak 709 from cnoeabs.peaks (2.30, 2.17, 29.20 ppm; 2.93 A): 1 out of 18 assignments used, quality = 0.97: * HG3 GLU 16 + HB3 GLU 16 OK 97 100 - 97 - 3.0=92, 701/1.8=19...(15) HB2 GLU 48 - HB3 GLU 16 OK 38 100 - 39 - 701/1.8=7, 2234/3.0=6...(17) HG2 GLU 63 - HB3 GLU 16 OK 23 100 - 23 - 721=5, 701/1.8=4...(10) HG2 GLU 63 - HB3 GLU 95 OK 12 53 - 22 - 721=5, 2788/1.8=4...(7) HB2 GLU 48 - HB3 GLN 50 poor 7 49 - 15 - 9031/4.0=3, 2235/2.9=2...(5) HG3 GLU 16 - HB3 GLU 95 poor 7 54 - 12 - 721=2, 2788/1.8=2...(4) HD3 ARG 81 - HB3 GLU 16 lone 5 92 - 6 - HG3 GLU 16 - HB3 GLN 50 poor 5 49 - 10 - 721=2, 1.8/714=1, 3.0/699=1 HB2 TYR 4 - HB3 GLU 16 lone 3 97 - 3 - HB2 TYR 41 - HB3 GLU 16 lone 1 73 - 2 - HB2 TYR 4 - HB3 GLU 95 lone 1 49 - 2 - 147/4.0=1 HB2 GLU 48 - HB3 GLU 95 lone 1 54 - 1 - HG2 GLU 63 - HB3 GLN 50 lone 0 48 - 1 - HB2 TYR 41 - HB3 GLN 50 lone 0 29 - 1 - HD3 ARG 81 - HB3 GLU 95 lone 0 45 - 1 - HD3 ARG 81 - HB3 GLN 50 lone 0 40 - 1 - HB2 TYR 4 - HB3 GLN 50 lone 0 45 - 0 - HB2 TYR 41 - HB3 GLU 95 lone 0 33 - 0 - Peak 710 from cnoeabs.peaks (8.06, 2.17, 29.20 ppm; 3.50 A): 5 out of 21 assignments used, quality = 0.90: * H GLU 17 + HB3 GLU 16 OK 79 100 - 79 - 4.6=45, 6250/1.8=20...(11) H ILE 15 + HB3 GLU 16 OK 23 90 - 26 - 6222/4.0=11, 702/1.8=5...(6) H LYS 13 + HB3 GLU 16 OK 19 87 - 23 - 2.9/703=4, 702/1.8=4...(8) H SER 102 + HB3 GLU 16 OK 14 99 - 14 - 7636/4.0=4, 702/1.8=3...(6) H GLU 75 + HB3 GLU 16 OK 13 84 - 16 - 702/1.8=3, 7243=2...(9) H GLU 17 - HB3 GLN 50 poor 7 49 - 14 - 6251=4, 6258/2.9=2...(4) H GLU 75 - HB3 GLN 50 poor 4 35 - 12 - 3.6/10865=3, 7234/3.0=2...(5) H GLU 17 - HB3 GLU 95 lone 4 54 - 8 - 6251=2, 3.6/688=1, 4.6/699=1 H GLU 75 - HB3 GLU 95 lone 3 39 - 8 - 3.6/10865=2, 7237/2.9=1 H LYS 39 - HB3 GLU 16 lone 3 57 - 5 - H LYS 90 - HB3 GLU 16 lone 2 70 - 3 - H LYS 13 - HB3 GLN 50 lone 1 37 - 3 - 6163/4.0=1 H ILE 15 - HB3 GLU 95 lone 1 43 - 2 - H LYS 13 - HB3 GLU 95 lone 1 41 - 2 - H ILE 15 - HB3 GLN 50 lone 1 39 - 2 - H SER 102 - HB3 GLN 50 lone 1 47 - 1 - H LYS 39 - HB3 GLN 50 lone 1 22 - 3 - H SER 102 - HB3 GLU 95 lone 1 52 - 1 - H LYS 39 - HB3 GLU 95 lone 0 24 - 2 - H LYS 90 - HB3 GLU 95 lone 0 31 - 1 - H LYS 90 - HB3 GLN 50 lone 0 28 - 1 - Peak 711 from cnoeabs.peaks (8.02, 2.34, 36.00 ppm; 3.74 A): 7 out of 9 assignments used, quality = 0.94: * H GLU 16 + HG2 GLU 16 OK 80 100 - 80 - 5.1=40, 6240/1.8=19...(10) H GLU 16 + HG2 GLU 48 OK 27 72 - 39 - 6239=10, 6240/3.0=6...(9) H ARG 46 + HG2 GLU 16 OK 24 97 - 25 - 718/1.8=5, 704/3.0=5...(6) H GLY 101 + HG2 GLU 16 OK 18 97 - 19 - 704/3.0=4, 718/1.8=4...(6) H ARG 46 + HG2 GLU 48 OK 12 66 - 19 - 4.6/9029=5, 6739/4.9=4...(5) H GLU 16 + HG3 GLU 69 OK 12 98 - 12 - 6239=3, 3.0/689=2...(5) H ARG 46 + HG3 GLU 69 OK 10 93 - 11 - 6239=1, 4.6/6727=1...(5) H GLY 101 - HG2 GLU 48 lone 4 66 - 6 - 10103/3.0=1 H GLY 101 - HG3 GLU 69 lone 2 93 - 2 - Peak 712 from cnoeabs.peaks (4.04, 2.34, 36.00 ppm; 3.27 A): 3 out of 15 assignments used, quality = 0.94: * HA GLU 16 + HG2 GLU 16 OK 86 100 - 86 - 4.1=51, 3.0/700=15...(16) HA GLU 17 + HG2 GLU 16 OK 45 96 - 47 - 2.9/6252=8, 719/1.8=7...(12) HA GLU 16 + HG2 GLU 48 OK 26 72 - 36 - 689=7, 3.0/708=6...(12) HA GLU 17 - HG2 GLU 48 OK 16 65 - 26 - 2.9/6252=5, 730/1.8=3...(11) HA LYS 20 - HG2 GLU 16 OK 13 97 - 13 - 697/3.0=3, 857/3.0=3...(5) HB2 SER 49 - HG2 GLU 16 OK 11 84 - 13 - 3.9/6801=4, 4.3/10807=2...(5) HA GLU 16 - HG3 GLU 69 lone 10 98 - 10 - 689=2, 3.0/708=2...(5) HB2 SER 49 - HG2 GLU 48 poor 9 54 - 18 - 3.9/6801=7, 9079/4.9=3...(6) HB3 SER 59 - HG2 GLU 16 lone 8 96 - 8 - 697/3.0=1, 719/1.8=1...(4) HA GLU 17 - HG3 GLU 69 lone 3 92 - 3 - 2.9/6252=1 HA LYS 20 - HG2 GLU 48 lone 3 66 - 5 - HB3 SER 59 - HG2 GLU 48 lone 3 65 - 4 - 9405/4.1=2 HB2 SER 49 - HG3 GLU 69 lone 2 79 - 2 - 3.9/6801=1 HA LYS 20 - HG3 GLU 69 lone 1 93 - 1 - HB3 SER 59 - HG3 GLU 69 lone 1 92 - 1 - Peak 713 from cnoeabs.peaks (2.08, 2.34, 36.00 ppm; 2.82 A): 2 out of 30 assignments used, quality = 0.95: * HB2 GLU 16 + HG2 GLU 16 OK 93 100 - 93 - 3.0=82, 701/1.8=18...(14) HB2 GLU 16 + HG2 GLU 48 OK 27 72 - 38 - 700=9, 1.8/708=6...(15) HB2 GLU 23 - HG2 GLU 16 OK 23 90 - 26 - 1.8/714=4, 1019/4.1=4...(11) HB2 GLU 16 - HG3 GLU 69 OK 10 98 - 10 - 700=3, 1.8/708=2, 3.0/722=1 HB3 GLU 35 - HG2 GLU 16 OK 10 99 - 10 - 700=2, 701/1.8=2, 706/3.0=1 HB3 GLU 43 - HG2 GLU 16 lone 9 90 - 9 - 1975=1, 720/1.8=1 HB3 LEU 38 - HG2 GLU 16 lone 8 100 - 8 - 720/1.8=1 HB2 MET 74 - HG2 GLU 16 lone 5 84 - 6 - HB3 GLU 43 - HG2 GLU 48 lone 5 58 - 8 - 1975=2, 1976/4.9=1, 1.8/1967=1 HB3 GLU 62 - HG2 GLU 16 lone 3 84 - 4 - HB3 GLU 88 - HG2 GLU 16 lone 3 100 - 3 - HB3 GLU 43 - HG3 GLU 69 lone 2 85 - 3 - 4.4/6714=1 HB3 GLU 35 - HG2 GLU 48 lone 1 69 - 2 - HB3 LEU 38 - HG2 GLU 48 lone 1 71 - 2 - HB3 GLU 88 - HG3 GLU 69 lone 1 98 - 1 - HB2 GLU 23 - HG2 GLU 48 lone 1 58 - 2 - HB2 MET 74 - HG3 GLU 69 lone 1 79 - 1 - HB3 GLU 35 - HG3 GLU 69 lone 1 96 - 1 - HB2 MET 74 - HG2 GLU 48 lone 1 54 - 2 - HG3 GLU 28 - HG2 GLU 16 lone 1 87 - 1 - HG2 GLU 28 - HG2 GLU 16 lone 1 87 - 1 - HB2 GLU 23 - HG3 GLU 69 lone 1 85 - 1 - HB3 LEU 38 - HG3 GLU 69 lone 1 97 - 1 - HB3 GLU 88 - HG2 GLU 48 lone 0 72 - 1 - HB3 GLU 62 - HG2 GLU 48 lone 0 54 - 1 - HB3 GLU 62 - HG3 GLU 69 lone 0 79 - 0 - HG3 GLU 28 - HG2 GLU 48 lone 0 56 - 0 - HG2 GLU 28 - HG2 GLU 48 lone 0 56 - 0 - HG3 GLU 28 - HG3 GLU 69 lone 0 82 - 0 - HG2 GLU 28 - HG3 GLU 69 lone 0 82 - 0 - Peak 714 from cnoeabs.peaks (2.17, 2.34, 36.00 ppm; 2.40 A): 3 out of 24 assignments used, quality = 0.82: * HB3 GLU 16 + HG2 GLU 16 OK 74 100 - 74 - 3.0=51, 721/1.8=13...(14) HB3 GLU 16 + HG2 GLU 48 OK 19 72 - 27 - 708=5, 1.8/700=4...(11) HB3 GLU 23 + HG2 GLU 16 OK 16 87 - 19 - 721/1.8=3, 699/3.0=3...(6) HB2 GLN 72 - HG3 GLU 69 lone 7 98 - 7 - 9560/4.1=4, 3191/5.1=2 HB3 GLU 16 - HG3 GLU 69 lone 7 98 - 7 - 708=1, 1.8/700=1 HB2 GLN 72 - HG2 GLU 16 lone 7 100 - 7 - 721/1.8=1, 699/3.0=1 HB3 GLU 95 - HG2 GLU 16 lone 6 97 - 6 - 721/1.8=1 HB3 GLN 50 - HG2 GLU 16 lone 6 94 - 6 - HG2 GLU 75 - HG3 GLU 69 lone 5 93 - 5 - HG3 GLU 75 - HG3 GLU 69 lone 5 90 - 5 - HB3 GLN 50 - HG2 GLU 48 lone 4 63 - 7 - 2294/1.8=1, ~2286=1 HG2 GLU 75 - HG2 GLU 16 lone 3 97 - 3 - HG3 GLU 75 - HG2 GLU 16 lone 3 94 - 3 - HB2 GLN 72 - HG2 GLU 48 lone 2 72 - 3 - HB3 GLU 23 - HG2 GLU 48 lone 1 56 - 1 - HB3 GLN 50 - HG3 GLU 69 lone 1 90 - 1 - HB3 GLU 23 - HG3 GLU 69 lone 1 82 - 1 - HB3 GLU 95 - HG2 GLU 48 lone 0 66 - 1 - HB3 GLU 95 - HG3 GLU 69 lone 0 93 - 0 - HG2 GLU 104 - HG2 GLU 16 lone 0 65 - 0 - HG2 GLU 75 - HG2 GLU 48 lone 0 66 - 0 - HG3 GLU 75 - HG2 GLU 48 lone 0 63 - 0 - HG2 GLU 104 - HG3 GLU 69 lone 0 61 - 0 - HG2 GLU 104 - HG2 GLU 48 lone 0 40 - 0 - Peak 715 from cnoeabs.peaks (2.34, 2.34, 36.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLU 16 + HG2 GLU 16 OK 100 100 - 100 HG3 GLU 69 + HG3 GLU 69 OK 98 98 - 100 HG2 GLU 48 + HG2 GLU 48 OK 69 69 - 100 Peak 716 from cnoeabs.peaks (2.30, 2.34, 36.00 ppm; 2.40 A): 2 out of 18 assignments used, quality = 1.00: * HG3 GLU 16 + HG2 GLU 16 OK 100 100 - 100 - 1.8=100 HB2 GLU 48 + HG2 GLU 48 OK 53 72 - 74 - 3.0=51, 2253/1.8=16...(15) HB2 GLU 48 - HG2 GLU 16 OK 33 100 - 34 - 2234=9, 1.8/2241=5...(13) HG3 GLU 16 - HG2 GLU 48 OK 23 72 - 33 - 722=9, 2253/1.8=5...(12) HG2 GLU 63 - HG2 GLU 16 OK 17 100 - 18 - 722=5, ~2797=2...(7) HG3 GLU 16 - HG3 GLU 69 lone 8 98 - 8 - 722=2 HB2 GLU 48 - HG3 GLU 69 lone 6 98 - 6 - 2234=2 HG2 GLU 63 - HG2 GLU 48 lone 5 71 - 7 - 722=2, 2253/1.8=1 HD3 ARG 81 - HG2 GLU 16 lone 3 92 - 4 - HD3 ARG 81 - HG2 GLU 48 lone 2 61 - 4 - HB2 TYR 4 - HG2 GLU 16 lone 2 97 - 2 - HB2 TYR 4 - HG2 GLU 48 lone 2 66 - 3 - HB2 TYR 41 - HG3 GLU 69 lone 1 69 - 2 - 4.1/3123=1 HB2 TYR 41 - HG2 GLU 16 lone 1 73 - 1 - HB2 TYR 41 - HG2 GLU 48 lone 1 45 - 2 - HG2 GLU 63 - HG3 GLU 69 lone 1 97 - 1 - HD3 ARG 81 - HG3 GLU 69 lone 0 88 - 0 - HB2 TYR 4 - HG3 GLU 69 lone 0 93 - 0 - Peak 717 from cnoeabs.peaks (8.06, 2.34, 36.00 ppm; 3.93 A): 8 out of 21 assignments used, quality = 0.94: * H GLU 17 + HG2 GLU 16 OK 72 100 - 72 - 6253/1.8=19, 6250/3.0=18...(13) H GLU 17 + HG2 GLU 48 OK 34 72 - 47 - 6252=10, 6253/3.0=8...(13) H ILE 15 + HG2 GLU 16 OK 22 90 - 25 - 4.6/6239=10, 724/1.8=4...(5) H LYS 13 + HG2 GLU 16 OK 19 87 - 23 - 710/3.0=4, 724/1.8=3...(9) H GLU 75 + HG3 GLU 69 OK 18 79 - 22 - 2.9/3118=4, ~3111=3...(9) H SER 102 + HG2 GLU 16 OK 15 99 - 15 - 7636/5.1=4, 724/1.8=3...(6) H GLU 75 + HG2 GLU 16 OK 12 84 - 14 - 710/3.0=2, 702/3.0=2...(5) H GLU 17 + HG3 GLU 69 OK 11 98 - 11 - 6252=3, 3.6/689=2...(5) H ILE 15 - HG2 GLU 48 lone 5 58 - 9 - 4.6/6239=4, 758/1.8=1 H LYS 90 - HG2 GLU 16 lone 3 70 - 4 - H LYS 39 - HG2 GLU 16 lone 3 57 - 5 - H ILE 15 - HG3 GLU 69 lone 3 85 - 3 - 4.6/6239=1 H SER 102 - HG2 GLU 48 lone 2 70 - 4 - H LYS 13 - HG2 GLU 48 lone 2 56 - 4 - H LYS 90 - HG2 GLU 48 lone 2 43 - 4 - H GLU 75 - HG2 GLU 48 lone 2 54 - 3 - H SER 102 - HG3 GLU 69 lone 1 97 - 1 - H LYS 13 - HG3 GLU 69 lone 1 82 - 2 - H LYS 90 - HG3 GLU 69 lone 1 65 - 1 - H LYS 39 - HG2 GLU 48 lone 1 34 - 2 - H LYS 39 - HG3 GLU 69 lone 1 53 - 1 - Peak 718 from cnoeabs.peaks (8.02, 2.30, 36.00 ppm; 3.88 A): 4 out of 6 assignments used, quality = 0.92: * H GLU 16 + HG3 GLU 16 OK 83 100 - 83 - 5.1=45, 704/3.0=21...(10) H ARG 46 + HG3 GLU 16 OK 23 97 - 23 - 704/3.0=5, 711/1.8=5...(5) H GLU 16 + HG2 GLU 63 OK 21 98 - 21 - 6240=5, 4.0/701=4...(6) H GLY 101 + HG3 GLU 16 OK 19 97 - 20 - 704/3.0=5, 696/3.0=5...(6) H ARG 46 - HG2 GLU 63 lone 9 94 - 9 - 6752/3.0=3, ~2062=1 H GLY 101 - HG2 GLU 63 lone 3 94 - 3 - Peak 719 from cnoeabs.peaks (4.04, 2.30, 36.00 ppm; 3.66 A): 2 out of 10 assignments used, quality = 0.97: * HA GLU 16 + HG3 GLU 16 OK 94 100 - 94 - 4.1=72, 3.0/701=19...(15) HA GLU 17 + HG3 GLU 16 OK 55 96 - 58 - 2.9/6253=13, 712/1.8=8...(13) HA GLU 16 - HG2 GLU 63 OK 23 98 - 24 - 690=5, 3.0/701=4...(6) HA LYS 20 - HG3 GLU 16 OK 17 97 - 18 - 697/3.0=4, 857/3.0=4...(6) HB2 SER 49 - HG3 GLU 16 OK 13 84 - 16 - 3.9/6799=4, 3.0/9050=2...(7) HB3 SER 59 - HG3 GLU 16 OK 11 96 - 11 - 697/3.0=2, ~695=2...(6) HB2 SER 49 - HG2 GLU 63 lone 8 80 - 10 - 3.9/6799=4, 3.0/9050=2, ~9051=1 HA GLU 17 - HG2 GLU 63 lone 6 92 - 7 - 2.9/6253=3 HB3 SER 59 - HG2 GLU 63 lone 6 92 - 7 - 4.6/9412=5 HA LYS 20 - HG2 GLU 63 lone 4 94 - 4 - Peak 720 from cnoeabs.peaks (2.08, 2.30, 36.00 ppm; 2.96 A): 1 out of 20 assignments used, quality = 0.98: * HB2 GLU 16 + HG3 GLU 16 OK 98 100 - 98 - 3.0=95, 1.8/721=19...(15) HB2 GLU 23 - HG3 GLU 16 OK 27 90 - 30 - 1.8/721=4, 1019/4.1=4...(11) HB2 GLU 16 - HG2 GLU 63 OK 25 98 - 25 - 701=6, 1.8/721=4...(11) HB3 GLU 35 - HG3 GLU 16 OK 12 99 - 12 - 701=3, 713/1.8=2, 706/3.0=1 HB3 GLU 62 - HG2 GLU 63 poor 9 80 - 12 - 4.6/2786=7, 3.0/8479=4 HB3 GLU 43 - HG3 GLU 16 poor 9 90 - 10 - 1975/1.8=2, ~1967=1 HB3 LEU 38 - HG3 GLU 16 lone 9 100 - 9 - 713/1.8=1 HB3 GLU 35 - HG2 GLU 63 lone 8 96 - 8 - 701=2, 2.9/2788=1, 2.9/2788=1 HB2 MET 74 - HG2 GLU 63 lone 7 80 - 9 - 2.9/2791=2, ~3346=1...(5) HB3 GLU 62 - HG3 GLU 16 lone 6 84 - 7 - 4.6/2786=3, 3.0/8479=2 HB2 MET 74 - HG3 GLU 16 lone 6 84 - 7 - HB3 GLU 88 - HG3 GLU 16 lone 4 100 - 4 - HB2 GLU 23 - HG2 GLU 63 lone 3 85 - 4 - HB3 LEU 38 - HG2 GLU 63 lone 3 97 - 3 - HB3 GLU 43 - HG2 GLU 63 lone 3 85 - 3 - HB3 GLU 88 - HG2 GLU 63 lone 2 98 - 2 - HG3 GLU 28 - HG3 GLU 16 lone 1 87 - 1 - HG2 GLU 28 - HG3 GLU 16 lone 1 87 - 1 - HG3 GLU 28 - HG2 GLU 63 lone 0 83 - 0 - HG2 GLU 28 - HG2 GLU 63 lone 0 83 - 0 - Peak 721 from cnoeabs.peaks (2.17, 2.30, 36.00 ppm; 2.58 A): 4 out of 16 assignments used, quality = 0.91: * HB3 GLU 16 + HG3 GLU 16 OK 83 100 - 83 - 3.0=63, 1.8/701=16...(14) HB3 GLU 23 + HG3 GLU 16 OK 19 87 - 23 - 714/1.8=3, 699/3.0=3...(9) HB3 GLU 16 + HG2 GLU 63 OK 18 98 - 19 - 709=4, 1.8/701=4...(7) HB3 GLU 95 + HG2 GLU 63 OK 16 94 - 18 - 1.8/2788=3, ~2795=2...(8) HB3 GLU 95 - HG3 GLU 16 lone 8 97 - 8 - 1.8/2788=1, 714/1.8=1...(4) HB2 GLN 72 - HG3 GLU 16 lone 8 100 - 8 - 714/1.8=1, 699/3.0=1 HB3 GLN 50 - HG3 GLU 16 lone 6 94 - 6 - 714/1.8=1 HG2 GLU 75 - HG3 GLU 16 lone 3 97 - 3 - HG3 GLU 75 - HG3 GLU 16 lone 3 94 - 3 - HB3 GLU 23 - HG2 GLU 63 lone 2 83 - 2 - HG2 GLU 75 - HG2 GLU 63 lone 1 94 - 1 - HG3 GLU 75 - HG2 GLU 63 lone 1 90 - 1 - HB2 GLN 72 - HG2 GLU 63 lone 1 98 - 1 - HG2 GLU 104 - HG3 GLU 16 lone 1 65 - 1 - HB3 GLN 50 - HG2 GLU 63 lone 1 90 - 1 - HG2 GLU 104 - HG2 GLU 63 lone 0 61 - 1 - Peak 722 from cnoeabs.peaks (2.34, 2.30, 36.00 ppm; 2.40 A): 1 out of 10 assignments used, quality = 1.00: * HG2 GLU 16 + HG3 GLU 16 OK 100 100 - 100 - 1.8=100 HG2 GLU 48 - HG3 GLU 16 OK 31 99 - 32 - 2246=6, 1.8/2253=5...(12) HG2 GLU 16 - HG2 GLU 63 OK 16 98 - 16 - 716=3, ~2797=2...(7) HG3 GLU 69 - HG3 GLU 16 lone 7 100 - 7 - 716=2 HG2 GLU 48 - HG2 GLU 63 lone 6 96 - 7 - 2246=1, 1.8/2253=1 HG3 GLU 43 - HG3 GLU 16 lone 5 73 - 6 - HG3 GLU 44 - HG3 GLU 16 lone 1 77 - 2 - HG3 GLU 43 - HG2 GLU 63 lone 1 69 - 2 - HG3 GLU 69 - HG2 GLU 63 lone 1 98 - 1 - HG3 GLU 44 - HG2 GLU 63 lone 0 73 - 0 - Peak 723 from cnoeabs.peaks (2.30, 2.30, 36.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 16 + HG3 GLU 16 OK 100 100 - 100 HG2 GLU 63 + HG2 GLU 63 OK 97 97 - 100 Peak 724 from cnoeabs.peaks (8.06, 2.30, 36.00 ppm; 4.07 A): 6 out of 14 assignments used, quality = 0.92: * H GLU 17 + HG3 GLU 16 OK 76 100 - 76 - 6253=25, 6250/3.0=19...(14) H ILE 15 + HG3 GLU 16 OK 26 90 - 29 - 4.6/718=11, 710/3.0=4...(7) H LYS 13 + HG3 GLU 16 OK 21 87 - 24 - 710/3.0=4, 702/3.0=3...(9) H GLU 17 + HG2 GLU 63 OK 20 98 - 20 - 6253=6, 4.6/701=3...(5) H SER 102 + HG3 GLU 16 OK 16 99 - 16 - 7636/5.1=4, 710/3.0=3...(6) H GLU 75 + HG3 GLU 16 OK 13 84 - 15 - 710/3.0=3, 702/3.0=2...(5) H ILE 15 - HG2 GLU 63 lone 8 85 - 9 - 4.6/718=3, 4.9/9463=1 H LYS 90 - HG2 GLU 63 poor 8 65 - 12 - 10977/4.8=6, 3.6/2787=2...(4) H GLU 75 - HG2 GLU 63 lone 6 80 - 7 - 4.8/2791=2, 7237/1.8=1 H LYS 39 - HG2 GLU 63 lone 5 54 - 9 - 5.2/10574=3, 5.2/10572=2 H LYS 39 - HG3 GLU 16 lone 4 57 - 7 - 4.6/720=1 H LYS 90 - HG3 GLU 16 lone 4 70 - 6 - H LYS 13 - HG2 GLU 63 lone 2 83 - 3 - H SER 102 - HG2 GLU 63 lone 2 97 - 2 - Peak 725 from cnoeabs.peaks (8.06, 4.05, 58.64 ppm; 3.37 A): 1 out of 14 assignments used, quality = 1.00: * H GLU 17 + HA GLU 17 OK 100 100 - 100 - 2.9=100 H ILE 15 - HA GLU 17 OK 38 90 - 43 - ~6247=9, 8460/5.0=9...(12) H GLU 17 - HA GLU 16 OK 33 36 - 94 - 3.6=84, 6248/3.0=21...(17) H LYS 90 - HA GLU 17 OK 12 70 - 18 - 736/2.9=3, ~6245=2...(9) H LYS 13 - HA GLU 17 OK 12 87 - 14 - 751/3.9=2, ~10427=2...(8) H ILE 15 - HA GLU 16 poor 9 28 - 31 - 6222/3.0=15, 702/3.0=3...(8) H GLU 75 - HA GLU 17 lone 7 84 - 9 - 4.8/10863=2, 7239/2.9=1 H SER 102 - HA GLU 17 lone 7 99 - 7 - 6266/3.6=1, 736/2.9=1 H LYS 13 - HA GLU 16 poor 6 27 - 24 - 6229/3.0=4, ~492=4...(10) H SER 102 - HA GLU 16 poor 4 34 - 12 - 7636/3.0=5, 710/3.0=2...(5) H GLU 75 - HA GLU 16 poor 3 25 - 10 - 710/3.0=2, 702/3.0=2...(4) H LYS 39 - HA GLU 17 lone 2 57 - 4 - H LYS 90 - HA GLU 16 lone 1 20 - 5 - ~6228=1 H LYS 39 - HA GLU 16 lone 1 16 - 3 - 6229/3.0=1 Peak 726 from cnoeabs.peaks (4.05, 4.05, 58.64 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA GLU 17 + HA GLU 17 OK 100 100 - 100 HA GLU 16 - HA GLU 16 OK 31 31 - 100 Peak 727 from cnoeabs.peaks (1.94, 4.05, 58.64 ppm; 2.91 A): 2 out of 22 assignments used, quality = 1.00: * HB2 GLU 17 + HA GLU 17 OK 100 100 - 100 - 2.9=100 HB3 LYS 20 + HA GLU 17 OK 46 97 - 47 - 870=8, 1.8/733=8...(19) HB2 MET 1 - HA GLU 17 OK 39 100 - 40 - 11/2.9=5, 1.8/728=5...(21) HB3 ARG 19 - HA GLU 17 OK 35 87 - 40 - 1.8/733=7, 4.1/732=7...(13) HB2 GLU 17 - HA GLU 16 poor 10 36 - 27 - 6255/3.6=7, 737=4...(9) HB3 LYS 20 - HA GLU 16 poor 9 32 - 27 - 872=5, 1.8/860=3...(8) HB3 LYS 73 - HA GLU 17 poor 8 77 - 11 - 1.8/9582=2, 9582=1 HB2 LYS 73 - HA GLU 17 poor 8 73 - 11 - 1.8/9582=2, 9582=1 HB2 LYS 94 - HA GLU 17 lone 6 61 - 9 - HB3 ARG 19 - HA GLU 16 poor 5 27 - 20 - 1.8/788=4, 798=4...(8) HG3 GLU 88 - HA GLU 17 lone 5 100 - 5 - HB VAL 32 - HA GLU 17 lone 4 100 - 4 - HB3 LYS 47 - HA GLU 17 lone 3 70 - 4 - HB2 MET 1 - HA GLU 16 lone 2 36 - 6 - 6255/3.6=3 HB3 ARG 46 - HA GLU 16 poor 2 18 - 11 - ~2067=2, 2077/3.0=2...(5) HG3 GLU 88 - HA GLU 16 lone 2 35 - 5 - HB3 ARG 46 - HA GLU 17 lone 1 65 - 2 - HB3 LYS 73 - HA GLU 16 lone 1 22 - 5 - 1.8/9582=1 HB2 LYS 73 - HA GLU 16 lone 1 21 - 5 - 1.8/9582=1 HB VAL 32 - HA GLU 16 lone 1 36 - 2 - HB3 LYS 47 - HA GLU 16 lone 1 20 - 3 - HB2 LYS 94 - HA GLU 16 lone 0 17 - 2 - Peak 728 from cnoeabs.peaks (2.01, 4.05, 58.64 ppm; 3.37 A): 2 out of 18 assignments used, quality = 1.00: * HB3 GLU 17 + HA GLU 17 OK 100 100 - 100 - 2.9=100 HB3 MET 1 + HA GLU 17 OK 48 99 - 49 - 739/2.9=8, 1.8/727=6...(21) HB2 GLU 35 - HA GLU 17 OK 15 100 - 15 - 6256/2.9=2, 1.8/1019=2...(5) HB2 GLU 44 - HA GLU 17 OK 15 98 - 15 - 739/2.9=2, 6256/2.9=2...(6) HB3 GLU 44 - HA GLU 17 OK 15 98 - 15 - 739/2.9=2, 6256/2.9=2...(6) HB3 GLU 17 - HA GLU 16 OK 13 36 - 37 - 6256/3.6=11, 745=6...(11) HB2 GLU 62 - HA GLU 17 OK 12 94 - 13 - 6256/2.9=1, 739/2.9=1...(5) QE MET 74 - HA GLU 17 OK 12 99 - 12 - 6256/2.9=2, 3.4/10863=2...(4) HB2 GLN 50 - HA GLU 17 OK 11 70 - 16 - 4.0/6810=2, 2.9/730=1...(6) HB3 LYS 94 - HA GLU 17 poor 9 73 - 12 - 1.8/734=1, 739/2.9=1 HB2 GLU 35 - HA GLU 16 poor 5 36 - 14 - 1.8/1019=2, 6256/3.6=2...(5) QE MET 74 - HA GLU 16 lone 3 34 - 9 - 6256/3.6=2, 3.4/10863=1...(4) HB3 MET 1 - HA GLU 16 lone 3 34 - 9 - 6256/3.6=4 HB2 GLN 50 - HA GLU 16 poor 2 20 - 11 - 4.0/6810=2, 2284/3.0=1 HB2 GLU 44 - HA GLU 16 lone 2 33 - 5 - 6256/3.6=1 HB3 GLU 44 - HA GLU 16 lone 2 33 - 5 - 6256/3.6=1 HB2 GLU 62 - HA GLU 16 lone 1 30 - 5 - 6256/3.6=1 HB3 LYS 94 - HA GLU 16 lone 1 21 - 2 - Peak 729 from cnoeabs.peaks (2.24, 4.05, 58.64 ppm; 3.79 A): 1 out of 10 assignments used, quality = 0.96: * HG2 GLU 17 + HA GLU 17 OK 96 100 - 96 - 3.9=88, 748/2.9=21...(12) HB3 GLN 72 - HA GLU 17 OK 39 94 - 42 - 6257/2.9=9, 740/2.9=8...(12) HG2 GLU 17 - HA GLU 16 OK 13 36 - 37 - 6257/3.6=16, 752=9...(6) HG2 GLU 62 - HA GLU 17 poor 10 61 - 15 - 740/2.9=2, 6257/2.9=2...(5) HG3 GLU 62 - HA GLU 17 poor 10 61 - 15 - 740/2.9=2, 6257/2.9=2...(5) HB3 GLN 72 - HA GLU 16 poor 8 30 - 25 - 6257/3.6=7, 3202/3.0=2...(10) HG2 GLU 37 - HA GLU 17 lone 3 81 - 3 - HG2 GLU 62 - HA GLU 16 lone 1 17 - 5 - 6257/3.6=1 HG3 GLU 62 - HA GLU 16 lone 1 17 - 5 - 6257/3.6=1 HG2 GLU 37 - HA GLU 16 lone 0 24 - 2 - Peak 730 from cnoeabs.peaks (2.43, 4.05, 58.64 ppm; 3.86 A): 2 out of 14 assignments used, quality = 0.99: * HG3 GLU 17 + HA GLU 17 OK 98 100 - 98 - 3.9=94, 1.8/752=22...(13) HG3 MET 1 + HA GLU 17 OK 47 90 - 53 - 32/2.9=7, 741/2.9=7...(19) HG3 GLU 48 - HA GLU 17 OK 36 100 - 37 - 6258/2.9=6, 759=5...(12) HG2 GLN 72 - HA GLU 17 OK 35 99 - 35 - 3.0/729=6, 3212/3.9=6...(10) HG3 GLN 50 - HA GLU 17 OK 19 100 - 19 - 6258/2.9=2, 741/2.9=2...(9) HG3 GLU 48 - HA GLU 16 OK 16 36 - 46 - 759=6, 2253/4.1=6...(15) HB2 ASP 11 - HA GLU 17 OK 13 100 - 13 - 8376/2.9=2, 370/3.6=2...(6) HG3 GLU 17 - HA GLU 16 OK 13 36 - 36 - 6258/3.6=11, 1.8/752=7...(9) HG3 GLU 99 - HA GLU 17 OK 11 94 - 11 - 6258/2.9=2, 4.7/732=2...(4) HG2 GLN 72 - HA GLU 16 poor 5 34 - 15 - 6258/3.6=4, 3211/3.0=1...(4) HG3 GLN 50 - HA GLU 16 poor 5 35 - 13 - 6258/3.6=2, 5.1/6810=2...(4) HG3 MET 1 - HA GLU 16 lone 2 28 - 8 - 6258/3.6=4 HB2 ASP 11 - HA GLU 16 lone 2 35 - 5 - 8376/3.6=2 HG3 GLU 99 - HA GLU 16 lone 1 30 - 4 - 6258/3.6=1 Peak 731 from cnoeabs.peaks (8.65, 4.05, 58.64 ppm; 4.16 A): 1 out of 8 assignments used, quality = 1.00: * H ALA 18 + HA GLU 17 OK 100 100 - 100 - 3.6=100 H ALA 18 - HA GLU 16 OK 23 36 - 66 - 6259/3.6=27, 6264/3.0=23...(11) H ASN 10 - HA GLU 17 OK 15 81 - 18 - 6259/2.9=3, 742/2.9=3...(8) H ASP 11 - HA GLU 17 OK 12 65 - 18 - 6259/2.9=4, 742/2.9=3...(7) H LEU 55 - HA GLU 17 lone 6 61 - 9 - 773/5.0=1, 6259/2.9=1 H ASN 10 - HA GLU 16 lone 2 24 - 8 - 6259/3.6=3, 4.6/12230=2 H ASP 11 - HA GLU 16 lone 2 18 - 9 - 6259/3.6=4, 6242/3.0=2 H LEU 55 - HA GLU 16 lone 1 17 - 5 - 6242/3.0=1 Peak 732 from cnoeabs.peaks (7.79, 4.05, 58.64 ppm; 3.46 A): 2 out of 12 assignments used, quality = 0.67: * H LYS 20 + HA GLU 17 OK 63 100 - 63 - 6295=14, 6296/3.6=11...(22) H LYS 20 + HA GLU 16 OK 13 36 - 36 - 6294=7, 4.6/6280=4...(17) H GLU 99 - HA GLU 17 lone 8 100 - 8 - 6275/3.6=2, 7612/3.9=2 H GLU 28 - HA GLU 17 lone 8 98 - 8 - 6275/3.6=2, 8495/5.0=2 H LYS 66 - HA GLU 17 lone 7 92 - 7 - 6275/3.6=2, 8495/5.0=1 H SER 9 - HA GLU 17 lone 5 61 - 8 - 4.0/12230=2, 4.6/731=1 HE ARG 30 - HA GLU 17 lone 4 100 - 4 - H GLU 28 - HA GLU 16 lone 1 33 - 3 - H GLU 99 - HA GLU 16 lone 1 35 - 3 - H LYS 66 - HA GLU 16 lone 1 29 - 3 - HE ARG 30 - HA GLU 16 lone 1 35 - 2 - H SER 9 - HA GLU 16 lone 1 17 - 3 - 4.0/12230=1 Peak 733 from cnoeabs.peaks (1.89, 4.05, 58.64 ppm; 3.19 A): 5 out of 18 assignments used, quality = 0.83: * HB2 LYS 20 + HA GLU 17 OK 49 100 - 49 - 4.0/732=9, 1.8/870=8...(18) HB2 ARG 19 + HA GLU 17 OK 43 100 - 44 - 4.1/732=9, 10439/5.0=8...(12) HB3 LEU 14 + HA GLU 17 OK 25 84 - 31 - ~593=4, ~6245=4, ~592=4...(15) HB2 LYS 20 + HA GLU 16 OK 11 36 - 30 - 860=5, 1.8/872=5...(10) HG LEU 42 + HA GLU 17 OK 10 97 - 10 - ~12026=2, 10340/2.9=2, ~10342=1 HB ILE 8 - HA GLU 17 lone 8 98 - 8 - HB2 ARG 19 - HA GLU 16 poor 8 35 - 24 - 1.8/798=5, 788=5...(7) HB VAL 54 - HA GLU 17 lone 6 99 - 6 - 2492/3.6=2, 8486/5.0=1 HB3 LEU 14 - HA GLU 16 poor 3 25 - 12 - 8475/3.0=4, ~8474=3...(4) HB2 GLU 43 - HA GLU 17 lone 2 70 - 2 - HB2 GLU 43 - HA GLU 16 lone 2 20 - 8 - 8475/3.0=1 HB ILE 8 - HA GLU 16 lone 2 33 - 5 - HB3 LYS 68 - HA GLU 17 lone 1 65 - 2 - HB VAL 54 - HA GLU 16 lone 1 34 - 4 - HG LEU 42 - HA GLU 16 lone 1 32 - 3 - HB3 GLU 104 - HA GLU 17 lone 1 61 - 1 - HB3 GLU 104 - HA GLU 16 lone 0 17 - 1 - HB3 LYS 68 - HA GLU 16 lone 0 18 - 1 - Peak 734 from cnoeabs.peaks (1.93, 4.05, 58.64 ppm; 3.02 A): 2 out of 22 assignments used, quality = 0.99: HB2 GLU 17 + HA GLU 17 OK 97 97 - 100 - 2.9=100 * HB3 LYS 20 + HA GLU 17 OK 50 100 - 51 - 870=10, 1.8/733=9...(20) HB3 ARG 19 - HA GLU 17 OK 44 99 - 45 - 4.1/732=8, 1.8/733=8...(13) HB2 MET 1 - HA GLU 17 OK 40 97 - 42 - 11/2.9=5, 1.8/728=5...(21) HB3 LYS 20 - HA GLU 16 OK 10 36 - 30 - 872=6, 1.8/860=4...(8) HB2 GLU 17 - HA GLU 16 poor 9 32 - 28 - 6255/3.6=8, 737=4...(9) HB2 LYS 94 - HA GLU 17 poor 9 87 - 10 - 1.8/728=1 HB3 ARG 19 - HA GLU 16 poor 8 34 - 23 - 798=5, 1.8/788=4...(8) HG3 GLU 88 - HA GLU 17 lone 5 94 - 6 - HB VAL 32 - HA GLU 17 lone 5 98 - 5 - HB3 LYS 47 - HA GLU 17 lone 4 92 - 5 - HB2 LYS 13 - HA GLU 17 lone 4 65 - 6 - ~10427=1, ~6244=1 HB2 MET 1 - HA GLU 16 lone 2 32 - 6 - 6255/3.6=3 HB2 LYS 13 - HA GLU 16 poor 2 18 - 11 - ~492=3, ~6226=2, ~493=1...(5) HG3 GLU 88 - HA GLU 16 lone 2 30 - 5 - 4.9/6372=1 HB3 LYS 47 - HA GLU 16 lone 1 29 - 4 - HB VAL 32 - HA GLU 16 lone 1 33 - 2 - HB2 LYS 94 - HA GLU 16 lone 1 27 - 2 - HB2 LYS 33 - HA GLU 17 lone 0 70 - 1 - HB3 LYS 33 - HA GLU 17 lone 0 61 - 1 - HB2 LYS 33 - HA GLU 16 lone 0 20 - 1 - HB3 LYS 33 - HA GLU 16 lone 0 17 - 0 - Peak 735 from cnoeabs.peaks (3.68, 1.94, 29.01 ppm; 4.81 A): 3 out of 3 assignments used, quality = 0.90: * HA LEU 14 + HB2 GLU 17 OK 75 100 - 75 - 593/1.8=26, 592=23...(10) HA LYS 90 + HB2 GLU 17 OK 42 84 - 51 - 8477/3.0=10, 743/1.8=9...(12) HB THR 80 + HB2 GLU 17 OK 33 100 - 32 - 6262/4.6=9, 6245/4.0=7...(5) Peak 736 from cnoeabs.peaks (8.06, 1.94, 29.01 ppm; 3.99 A): 1 out of 7 assignments used, quality = 0.99: * H GLU 17 + HB2 GLU 17 OK 99 100 - 99 - 4.0=97, 6256/1.8=21...(13) H ILE 15 - HB2 GLU 17 OK 36 90 - 41 - 3.6/592=14, 6266/4.6=7...(8) H LYS 90 - HB2 GLU 17 OK 22 70 - 32 - 3.0/735=6, 4.9/12027=5...(11) H LYS 13 - HB2 GLU 17 OK 12 87 - 14 - 751/3.0=3, 758/3.0=2...(6) H SER 102 - HB2 GLU 17 lone 10 99 - 9 - 10113/12026=2, 744/1.8=1...(5) H GLU 75 - HB2 GLU 17 lone 8 84 - 10 - 7239/1.8=2, 751/3.0=1...(4) H LYS 39 - HB2 GLU 17 lone 3 57 - 5 - ~8951=1 Peak 737 from cnoeabs.peaks (4.05, 1.94, 29.01 ppm; 3.79 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 17 + HB2 GLU 17 OK 100 100 - 100 - 2.9=100 HA LYS 20 + HB2 GLU 17 OK 66 100 - 66 - 745/1.8=8, ~732=7, 847=7...(27) HA GLU 16 - HB2 GLU 17 OK 41 96 - 43 - 3.6/736=12, 745/1.8=5...(12) HB2 SER 49 - HB2 GLU 17 OK 15 99 - 15 - 745/1.8=2, ~9052=2...(6) HB3 SER 59 - HB2 GLU 17 lone 3 73 - 4 - Peak 738 from cnoeabs.peaks (1.94, 1.94, 29.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 17 + HB2 GLU 17 OK 100 100 - 100 Peak 739 from cnoeabs.peaks (2.01, 1.94, 29.01 ppm; 2.73 A): 2 out of 9 assignments used, quality = 1.00: * HB3 GLU 17 + HB2 GLU 17 OK 100 100 - 100 - 1.8=100 HB3 MET 1 + HB2 GLU 17 OK 49 99 - 50 - 17=10, 3.0/31=4...(22) HB3 GLU 44 - HB2 GLU 17 OK 11 98 - 11 - 754/3.0=1, 746=1 HB2 GLU 44 - HB2 GLU 17 OK 11 98 - 11 - 754/3.0=1, 746=1 HB2 GLU 35 - HB2 GLU 17 lone 9 100 - 9 - 728/2.9=1 HB2 GLU 62 - HB2 GLU 17 lone 9 94 - 9 - ~2743=1 HB3 LYS 94 - HB2 GLU 17 poor 8 73 - 10 - HB2 GLN 50 - HB2 GLU 17 poor 7 70 - 10 - 2.9/741=1 QE MET 74 - HB2 GLU 17 lone 7 99 - 7 - Peak 740 from cnoeabs.peaks (2.24, 1.94, 29.01 ppm; 3.63 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 17 + HB2 GLU 17 OK 100 100 - 100 - 3.0=100 HB3 GLN 72 - HB2 GLU 17 OK 45 94 - 48 - 748/1.8=8, 762/3.0=7...(18) HG3 GLU 62 - HB2 GLU 17 poor 10 61 - 15 - 748/1.8=2, 2.9/739=2...(6) HG2 GLU 62 - HB2 GLU 17 poor 10 61 - 15 - 748/1.8=2, 2.9/739=2...(6) HG2 GLU 37 - HB2 GLU 17 lone 3 81 - 4 - Peak 741 from cnoeabs.peaks (2.43, 1.94, 29.01 ppm; 3.86 A): 3 out of 7 assignments used, quality = 1.00: * HG3 GLU 17 + HB2 GLU 17 OK 100 100 - 100 - 3.0=100 HG3 MET 1 + HB2 GLU 17 OK 64 90 - 72 - 1.8/24=10, 31=10...(29) HG2 GLN 72 + HB2 GLU 17 OK 49 99 - 50 - 3.0/740=8, 3212/3.0=7...(18) HG3 GLU 48 - HB2 GLU 17 OK 27 100 - 27 - 6258/4.0=4, 730/2.9=4...(10) HG3 GLN 50 - HB2 GLU 17 OK 20 100 - 20 - 2307/1.8=3, ~2299=2...(11) HB2 ASP 11 - HB2 GLU 17 OK 13 100 - 13 - 4.0/742=2, 8376/4.0=2...(8) HG3 GLU 99 - HB2 GLU 17 lone 9 94 - 9 - 6258/4.0=1, 730/2.9=1 Peak 742 from cnoeabs.peaks (8.65, 1.94, 29.01 ppm; 4.38 A): 1 out of 4 assignments used, quality = 0.96: * H ALA 18 + HB2 GLU 17 OK 96 100 - 96 - 4.6=84, 6259/4.0=27...(13) H ASP 11 - HB2 GLU 17 OK 14 65 - 21 - 6259/4.0=3, 750/1.8=3...(8) H ASN 10 - HB2 GLU 17 OK 13 81 - 16 - 731/2.9=3, 750/1.8=3...(5) H LEU 55 - HB2 GLU 17 lone 4 61 - 6 - 731/2.9=1 Peak 743 from cnoeabs.peaks (3.68, 2.01, 29.01 ppm; 4.77 A): 3 out of 12 assignments used, quality = 0.91: * HA LEU 14 + HB3 GLU 17 OK 75 100 - 76 - 593=26, 592/1.8=23...(11) HA LYS 90 + HB3 GLU 17 OK 45 84 - 53 - 735/1.8=11, 8477/3.0=10...(14) HB THR 80 + HB3 GLU 17 OK 34 100 - 34 - 6262/4.6=9, 735/1.8=9...(5) HA LYS 90 - HB2 GLU 35 poor 7 47 - 15 - ~10308=2, ~10309=2...(5) HB THR 80 - HB2 GLU 35 lone 6 63 - 9 - 9703/4.7=3, ~9728=1 HA LEU 14 - HB2 GLU 35 lone 5 64 - 9 - 593=2 HA LEU 14 - HB2 GLU 44 poor 5 50 - 10 - 593=2, 593/1.8=2 HA LEU 14 - HB3 GLU 44 poor 5 50 - 10 - 593=2, 593/1.8=2 HA LYS 90 - HB2 GLU 44 lone 2 36 - 7 - 10979/4.7=3 HA LYS 90 - HB3 GLU 44 lone 2 36 - 7 - 10979/4.7=3 HB THR 80 - HB2 GLU 44 lone 1 49 - 3 - HB THR 80 - HB3 GLU 44 lone 1 49 - 3 - Peak 744 from cnoeabs.peaks (8.06, 2.01, 29.01 ppm; 3.90 A): 1 out of 28 assignments used, quality = 0.97: * H GLU 17 + HB3 GLU 17 OK 97 100 - 97 - 4.0=91, 6257/3.0=19...(12) H ILE 15 - HB3 GLU 17 OK 38 90 - 42 - 3.6/593=14, 6266/4.6=7...(9) H LYS 90 - HB3 GLU 17 OK 23 70 - 33 - 3.0/743=5, ~735=4...(11) H GLU 75 - HB3 GLU 17 OK 15 84 - 18 - 7239=2, 3.6/3332=2...(10) H LYS 13 - HB3 GLU 17 OK 13 87 - 15 - 751/3.0=3, 736/1.8=2...(6) H GLU 17 - HB2 GLU 35 OK 12 64 - 19 - 6250/1.8=4, 6256=4...(6) H GLU 75 - HB2 GLU 35 poor 10 47 - 21 - 3.6/3332=3, 4.6/7230=3...(8) H SER 102 - HB3 GLU 17 lone 9 99 - 9 - 736/1.8=2, 751/3.0=1...(4) H GLU 17 - HB2 GLU 44 poor 8 50 - 17 - 6256=3, 6256/1.8=3...(8) H GLU 17 - HB3 GLU 44 poor 8 50 - 17 - 6256=3, 6256/1.8=3...(8) H GLU 75 - HB3 GLU 44 poor 8 36 - 21 - 4.3/3348=3, 3.6/3332=3...(8) H GLU 75 - HB2 GLU 44 poor 8 36 - 21 - 4.3/3348=3, 3.6/3332=3...(8) H LYS 39 - HB2 GLU 35 poor 7 30 - 22 - 3.0/8951=5, 5.2/12072=3...(10) H LYS 39 - HB3 GLU 17 lone 4 57 - 7 - 3.0/8951=2 H ILE 15 - HB2 GLU 35 lone 3 51 - 6 - 3.6/593=1 H LYS 90 - HB2 GLU 35 lone 3 37 - 7 - 702/1.8=1 H SER 102 - HB2 GLU 35 lone 2 62 - 4 - H LYS 13 - HB2 GLU 35 lone 2 49 - 4 - H ILE 15 - HB3 GLU 44 lone 2 40 - 5 - 3.6/593=1 H ILE 15 - HB2 GLU 44 lone 2 40 - 5 - 3.6/593=1 H LYS 39 - HB3 GLU 44 lone 1 22 - 6 - 3.0/8951=2, ~8951=1 H LYS 39 - HB2 GLU 44 lone 1 22 - 6 - 3.0/8951=2, ~8951=1 H SER 102 - HB3 GLU 44 lone 1 48 - 2 - H SER 102 - HB2 GLU 44 lone 1 48 - 2 - H LYS 13 - HB2 GLU 44 lone 1 38 - 2 - H LYS 13 - HB3 GLU 44 lone 1 38 - 2 - H LYS 90 - HB3 GLU 44 lone 1 28 - 2 - H LYS 90 - HB2 GLU 44 lone 1 28 - 2 - Peak 745 from cnoeabs.peaks (4.05, 2.01, 29.01 ppm; 3.62 A): 2 out of 20 assignments used, quality = 1.00: * HA GLU 17 + HB3 GLU 17 OK 100 100 - 100 - 2.9=100 HA LYS 20 + HB3 GLU 17 OK 57 100 - 57 - 737/1.8=10, ~732=6...(24) HA GLU 16 - HB3 GLU 17 OK 38 96 - 40 - 3.6/6256=12, 737/1.8=6...(11) HB2 SER 49 - HB3 GLU 17 OK 14 99 - 14 - 737/1.8=2, 3.0/9052=2...(5) HA GLU 17 - HB2 GLU 35 OK 12 64 - 18 - 728=3, 2.9/6256=2...(8) HA GLU 17 - HB3 GLU 44 poor 10 50 - 19 - 728=3, 728/1.8=2...(9) HA GLU 17 - HB2 GLU 44 poor 10 50 - 19 - 728=3, 728/1.8=2...(9) HA GLU 16 - HB2 GLU 35 poor 9 57 - 15 - 1019/1.8=3, 3.6/6256=2...(5) HA GLU 16 - HB2 GLU 44 lone 3 44 - 6 - 3.6/6256=2 HA GLU 16 - HB3 GLU 44 lone 3 44 - 6 - 3.6/6256=2 HB3 SER 59 - HB3 GLU 17 lone 3 73 - 4 - HA LYS 20 - HB2 GLU 35 lone 2 64 - 4 - 856/1.8=1 HB2 SER 49 - HB2 GLU 44 lone 2 48 - 5 - 9079/3.9=1 HB2 SER 49 - HB3 GLU 44 lone 2 48 - 5 - 9079/3.9=1 HB2 SER 49 - HB2 GLU 35 lone 2 61 - 3 - HA LYS 20 - HB3 GLU 44 lone 1 50 - 3 - HA LYS 20 - HB2 GLU 44 lone 1 50 - 3 - HB3 SER 59 - HB2 GLU 35 lone 0 40 - 1 - HB3 SER 59 - HB3 GLU 44 lone 0 30 - 1 - HB3 SER 59 - HB2 GLU 44 lone 0 30 - 1 - Peak 746 from cnoeabs.peaks (1.94, 2.01, 29.01 ppm; 2.40 A): 1 out of 44 assignments used, quality = 1.00: * HB2 GLU 17 + HB3 GLU 17 OK 100 100 - 100 - 1.8=100 HB2 MET 1 - HB3 GLU 17 OK 39 100 - 39 - 11=10, 3.0/25=3...(19) HB3 LYS 20 - HB3 GLU 17 OK 25 97 - 26 - 870/2.9=3, 11=3...(12) HB3 ARG 19 - HB3 GLU 17 OK 14 87 - 17 - 798/2.9=2, ~788=2...(8) HB2 MET 1 - HB2 GLU 35 OK 12 64 - 20 - 11=4, 12/2.9=2, 12/2.9=2...(7) HB2 GLU 17 - HB3 GLU 44 lone 5 50 - 10 - 739=2, 739/1.8=1 HB2 GLU 17 - HB2 GLU 44 lone 5 50 - 10 - 739=2, 739/1.8=1 HB3 LYS 73 - HB3 GLU 17 lone 5 77 - 6 - HB2 GLU 17 - HB2 GLU 35 lone 5 64 - 8 - 739=2 HB2 LYS 73 - HB3 GLU 17 lone 5 73 - 6 - HB2 LYS 94 - HB3 GLU 17 lone 4 61 - 7 - HB2 MET 1 - HB3 GLU 44 lone 4 50 - 8 - 11=2, 11/1.8=1 HB2 MET 1 - HB2 GLU 44 lone 4 50 - 8 - 11=2, 11/1.8=1 HG3 GLU 88 - HB2 GLU 35 lone 4 63 - 5 - 3896/1.8=1 HB VAL 32 - HB3 GLU 17 lone 3 100 - 3 - HB3 LYS 47 - HB3 GLU 44 poor 3 28 - 10 - ~1999=3, ~2133=2...(4) HB3 LYS 47 - HB2 GLU 44 poor 3 28 - 10 - ~1999=3, ~2133=2...(4) HG3 GLU 88 - HB3 GLU 17 lone 2 100 - 2 - HB VAL 32 - HB2 GLU 35 lone 2 64 - 4 - 10158/1.8=1 HB2 LYS 94 - HB2 GLU 35 lone 2 32 - 6 - HB3 LYS 47 - HB3 GLU 17 lone 2 70 - 2 - HB3 LYS 20 - HB2 GLU 35 lone 1 59 - 2 - HB3 LYS 47 - HB2 GLU 35 lone 1 37 - 2 - HB3 LYS 73 - HB2 GLU 35 lone 1 42 - 2 - HB2 LYS 73 - HB2 GLU 35 lone 1 40 - 2 - HB3 ARG 46 - HB2 GLU 35 lone 1 35 - 2 - HB3 ARG 46 - HB3 GLU 17 lone 1 65 - 1 - HB3 LYS 20 - HB3 GLU 44 lone 1 46 - 1 - HB3 LYS 20 - HB2 GLU 44 lone 1 46 - 1 - HB2 LYS 94 - HB3 GLU 44 lone 1 24 - 2 - HB2 LYS 94 - HB2 GLU 44 lone 1 24 - 2 - HG3 GLU 88 - HB3 GLU 44 lone 0 50 - 1 - HG3 GLU 88 - HB2 GLU 44 lone 0 50 - 1 - HB3 LYS 73 - HB3 GLU 44 lone 0 32 - 1 - HB3 LYS 73 - HB2 GLU 44 lone 0 32 - 1 - HB2 LYS 73 - HB2 GLU 44 lone 0 30 - 1 - HB2 LYS 73 - HB3 GLU 44 lone 0 30 - 1 - HB3 ARG 19 - HB2 GLU 35 lone 0 49 - 1 - HB3 ARG 46 - HB3 GLU 44 lone 0 26 - 1 - HB3 ARG 46 - HB2 GLU 44 lone 0 26 - 1 - HB VAL 32 - HB2 GLU 44 lone 0 50 - 0 - HB VAL 32 - HB3 GLU 44 lone 0 50 - 0 - HB3 ARG 19 - HB2 GLU 44 lone 0 38 - 0 - HB3 ARG 19 - HB3 GLU 44 lone 0 38 - 0 - Peak 747 from cnoeabs.peaks (2.01, 2.01, 29.01 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLU 17 + HB3 GLU 17 OK 100 100 - 100 HB2 GLU 35 + HB2 GLU 35 OK 64 64 - 100 HB3 GLU 44 + HB3 GLU 44 OK 47 47 - 100 HB2 GLU 44 + HB2 GLU 44 OK 47 47 - 100 Peak 748 from cnoeabs.peaks (2.24, 2.01, 29.01 ppm; 2.86 A): 2 out of 20 assignments used, quality = 0.94: * HG2 GLU 17 + HB3 GLU 17 OK 92 100 - 92 - 3.0=87, 1.8/761=12...(9) HB3 GLN 72 + HB3 GLU 17 OK 28 94 - 30 - 740/1.8=6, 762/3.0=4...(12) HG3 GLU 62 - HB3 GLU 17 poor 7 61 - 10 - 740/1.8=1, 2.9/2743=1 HG2 GLU 62 - HB3 GLU 17 poor 7 61 - 10 - 740/1.8=1, 2.9/2743=1 HG2 GLU 17 - HB2 GLU 44 poor 6 50 - 12 - 754=3, 754/1.8=2...(4) HG2 GLU 17 - HB3 GLU 44 poor 6 50 - 12 - 754=3, 754/1.8=2...(4) HG2 GLU 17 - HB2 GLU 35 lone 5 64 - 8 - 754=2, 3.0/739=1, 1.8/761=1 HG2 GLU 62 - HB2 GLU 35 poor 3 32 - 10 - 2.9/2743=2, 4.0/2726=1 HG3 GLU 62 - HB2 GLU 35 poor 3 32 - 10 - 2.9/2743=2, 4.0/2726=1 HG2 GLU 37 - HB3 GLU 17 lone 2 81 - 2 - HB3 GLN 72 - HB2 GLU 35 lone 1 55 - 2 - HB3 GLN 72 - HB2 GLU 44 lone 1 43 - 2 - HB3 GLN 72 - HB3 GLU 44 lone 1 43 - 2 - HG2 GLU 37 - HB3 GLU 44 lone 0 34 - 1 - HG2 GLU 37 - HB2 GLU 44 lone 0 34 - 1 - HG2 GLU 37 - HB2 GLU 35 lone 0 44 - 1 - HG2 GLU 62 - HB3 GLU 44 lone 0 24 - 1 - HG2 GLU 62 - HB2 GLU 44 lone 0 24 - 1 - HG3 GLU 62 - HB3 GLU 44 lone 0 24 - 1 - HG3 GLU 62 - HB2 GLU 44 lone 0 24 - 1 - Peak 749 from cnoeabs.peaks (2.43, 2.01, 29.01 ppm; 3.34 A): 2 out of 28 assignments used, quality = 1.00: * HG3 GLU 17 + HB3 GLU 17 OK 100 100 - 100 - 3.0=100 HG3 MET 1 + HB3 GLU 17 OK 54 90 - 61 - 32=10, 1.8/25=9...(25) HG2 GLN 72 - HB3 GLU 17 OK 39 99 - 39 - 3212/3.0=6, 3.0/748=5...(18) HG3 GLU 48 - HB3 GLU 17 OK 22 100 - 22 - 6258/4.0=3, 741/1.8=3...(8) HG3 GLN 50 - HB3 GLU 17 OK 18 100 - 17 - 741/1.8=2, 756/3.0=2...(6) HG3 MET 1 - HB2 GLU 35 OK 18 51 - 35 - 32=6, 1.8/25=5, 33/2.9=3...(15) HB2 ASP 11 - HB3 GLU 17 OK 10 100 - 10 - 8376/4.0=1, 741/1.8=1...(5) HG3 GLU 17 - HB2 GLU 44 poor 9 50 - 17 - 1.8/754=2, 761=2...(6) HG3 GLU 17 - HB3 GLU 44 poor 9 50 - 17 - 1.8/754=2, 761=2...(6) HG3 GLU 17 - HB2 GLU 35 poor 7 64 - 11 - 1.8/754=2, 761=2...(4) HG3 GLU 99 - HB3 GLU 17 lone 7 94 - 7 - HG3 MET 1 - HB3 GLU 44 poor 6 40 - 15 - 32=2, 1.8/25=2, 32/1.8=2...(6) HG3 MET 1 - HB2 GLU 44 poor 6 40 - 15 - 32=2, 1.8/25=2, 32/1.8=2...(6) HG3 GLU 48 - HB2 GLU 35 lone 2 64 - 3 - HG3 GLN 50 - HB2 GLU 35 lone 2 63 - 3 - HG3 GLU 48 - HB2 GLU 44 lone 2 50 - 3 - HG3 GLU 48 - HB3 GLU 44 lone 2 50 - 3 - HG2 GLN 72 - HB2 GLU 35 lone 1 61 - 2 - HG2 GLN 72 - HB2 GLU 44 lone 1 48 - 2 - HG2 GLN 72 - HB3 GLU 44 lone 1 48 - 2 - HB2 ASP 11 - HB2 GLU 35 lone 1 63 - 1 - HG3 GLN 50 - HB2 GLU 44 lone 1 50 - 1 - HG3 GLN 50 - HB3 GLU 44 lone 1 50 - 1 - HG3 GLU 99 - HB2 GLU 35 lone 0 55 - 1 - HB2 ASP 11 - HB3 GLU 44 lone 0 49 - 1 - HB2 ASP 11 - HB2 GLU 44 lone 0 49 - 1 - HG3 GLU 99 - HB3 GLU 44 lone 0 43 - 1 - HG3 GLU 99 - HB2 GLU 44 lone 0 43 - 1 - Peak 750 from cnoeabs.peaks (8.65, 2.01, 29.01 ppm; 4.46 A): 1 out of 16 assignments used, quality = 0.97: * H ALA 18 + HB3 GLU 17 OK 97 100 - 97 - 4.6=89, 742/1.8=30...(9) H ASP 11 - HB3 GLU 17 OK 14 65 - 22 - 742/1.8=4, 6259/4.0=4...(8) H ASN 10 - HB3 GLU 17 OK 13 81 - 16 - 742/1.8=4, 731/2.9=3...(5) H ALA 18 - HB2 GLU 35 poor 7 64 - 11 - 6269=2, 4.6/6256=2...(4) H ALA 18 - HB2 GLU 44 poor 6 50 - 12 - 6269=3, 6269/1.8=2...(5) H ALA 18 - HB3 GLU 44 poor 6 50 - 12 - 6269=3, 6269/1.8=2...(5) H LEU 55 - HB3 GLU 17 lone 4 61 - 6 - 742/1.8=1, 731/2.9=1 H ASN 10 - HB2 GLU 44 lone 2 34 - 6 - 6121/3.9=2, 6116/3.0=2 H ASN 10 - HB3 GLU 44 lone 2 34 - 6 - 6121/3.9=2, 6116/3.0=2 H ASP 11 - HB2 GLU 44 lone 1 26 - 5 - 6141/3.9=2, 10388/3.0=1 H ASP 11 - HB3 GLU 44 lone 1 26 - 5 - 6141/3.9=2, 10388/3.0=1 H LEU 55 - HB2 GLU 35 lone 1 32 - 3 - H ASP 11 - HB2 GLU 35 lone 1 35 - 3 - H ASN 10 - HB2 GLU 35 lone 1 44 - 2 - H LEU 55 - HB3 GLU 44 lone 0 24 - 1 - H LEU 55 - HB2 GLU 44 lone 0 24 - 1 - Peak 751 from cnoeabs.peaks (8.06, 2.24, 36.00 ppm; 3.80 A): 4 out of 7 assignments used, quality = 0.89: * H GLU 17 + HG2 GLU 17 OK 79 100 - 79 - 5.1=41, 2.9/752=16...(10) H ILE 15 + HG2 GLU 17 OK 25 90 - 28 - 3.6/8477=8, 758/1.8=5...(7) H LYS 90 + HG2 GLU 17 OK 18 70 - 27 - 3.0/8477=6, 6.1/12233=4...(9) H LYS 13 + HG2 GLU 17 OK 14 87 - 17 - 758/1.8=2, 736/3.0=2...(9) H GLU 75 - HG2 GLU 17 lone 7 84 - 8 - 7239/3.0=2, 758/1.8=1, 736/3.0=1 H SER 102 - HG2 GLU 17 lone 6 99 - 6 - 736/3.0=1, 758/1.8=1 H LYS 39 - HG2 GLU 17 lone 2 57 - 4 - Peak 752 from cnoeabs.peaks (4.05, 2.24, 36.00 ppm; 3.73 A): 1 out of 5 assignments used, quality = 0.95: * HA GLU 17 + HG2 GLU 17 OK 95 100 - 95 - 3.9=84, 2.9/748=21...(12) HA LYS 20 - HG2 GLU 17 OK 33 100 - 33 - 737/3.0=8, 745/3.0=6...(12) HA GLU 16 - HG2 GLU 17 OK 31 96 - 33 - 3.6/6257=15, 737/3.0=5...(6) HB2 SER 49 - HG2 GLU 17 OK 10 99 - 10 - 759/1.8=2, 737/3.0=2...(6) HB3 SER 59 - HG2 GLU 17 lone 2 73 - 2 - Peak 753 from cnoeabs.peaks (1.94, 2.24, 36.00 ppm; 3.28 A): 2 out of 11 assignments used, quality = 1.00: * HB2 GLU 17 + HG2 GLU 17 OK 100 100 - 100 - 3.0=100 HB2 MET 1 + HG2 GLU 17 OK 50 100 - 50 - 1.8/754=8, 13/1.8=7...(20) HB3 LYS 20 - HG2 GLU 17 OK 25 97 - 26 - 870/3.9=4, 3.0/752=4...(12) HB3 ARG 19 - HG2 GLU 17 OK 16 87 - 18 - 798/3.9=4, ~12027=2...(9) HB3 LYS 73 - HG2 GLU 17 OK 12 77 - 15 - 4.1/7199=3, 760/1.8=1...(6) HB2 LYS 73 - HG2 GLU 17 OK 11 73 - 15 - 4.1/7199=3, ~10183=1...(6) HB2 LYS 94 - HG2 GLU 17 poor 7 61 - 12 - 1.8/754=1, 2.9/12256=1 HB VAL 32 - HG2 GLU 17 lone 4 100 - 4 - HG3 GLU 88 - HG2 GLU 17 lone 4 100 - 4 - HB3 LYS 47 - HG2 GLU 17 lone 3 70 - 5 - HB3 ARG 46 - HG2 GLU 17 lone 1 65 - 1 - Peak 754 from cnoeabs.peaks (2.01, 2.24, 36.00 ppm; 2.93 A): 1 out of 9 assignments used, quality = 0.96: * HB3 GLU 17 + HG2 GLU 17 OK 96 100 - 96 - 3.0=93, 761/1.8=13...(10) HB3 MET 1 - HG2 GLU 17 OK 41 99 - 41 - 1.8/753=6, 20/1.8=6...(19) HB3 GLU 44 - HG2 GLU 17 OK 12 98 - 11 - 748=2, 761/1.8=2...(4) HB2 GLU 44 - HG2 GLU 17 OK 12 98 - 11 - 748=2, 761/1.8=2...(4) HB2 GLU 35 - HG2 GLU 17 lone 8 100 - 8 - 748=2, 739/3.0=1, 761/1.8=1 HB2 GLN 50 - HG2 GLU 17 poor 7 70 - 11 - 761/1.8=2, ~2294=1, 2.9/756=1 HB2 GLU 62 - HG2 GLU 17 lone 7 94 - 7 - 761/1.8=1, 739/3.0=1 HB3 LYS 94 - HG2 GLU 17 lone 7 73 - 9 - QE MET 74 - HG2 GLU 17 lone 5 99 - 5 - Peak 755 from cnoeabs.peaks (2.24, 2.24, 36.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 17 + HG2 GLU 17 OK 100 100 - 100 Peak 756 from cnoeabs.peaks (2.43, 2.24, 36.00 ppm; 2.42 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLU 17 + HG2 GLU 17 OK 100 100 - 100 - 1.8=100 HG2 GLN 72 - HG2 GLU 17 OK 25 99 - 26 - 1.8/3221=4, 3212=4...(12) HG3 MET 1 - HG2 GLU 17 OK 24 90 - 28 - 3.0/754=3, 3.0/753=3...(12) HG3 GLU 48 - HG2 GLU 17 OK 11 100 - 11 - 762=3 HG3 GLN 50 - HG2 GLU 17 lone 8 100 - 8 - HB2 ASP 11 - HG2 GLU 17 lone 4 100 - 4 - HG3 GLU 99 - HG2 GLU 17 lone 4 94 - 4 - Peak 757 from cnoeabs.peaks (8.65, 2.24, 36.00 ppm; 5.00 A): 3 out of 4 assignments used, quality = 0.88: * H ALA 18 + HG2 GLU 17 OK 84 100 - 84 - 742/3.0=29, 6259/5.1=25...(9) H ASP 11 + HG2 GLU 17 OK 15 65 - 23 - 764/1.8=4, 742/3.0=4...(8) H ASN 10 + HG2 GLU 17 OK 14 81 - 17 - 764/1.8=4, 742/3.0=4...(5) H LEU 55 - HG2 GLU 17 lone 4 61 - 7 - 742/3.0=1, 731/3.9=1, 764/1.8=1 Peak 758 from cnoeabs.peaks (8.06, 2.43, 36.00 ppm; 3.62 A): 5 out of 21 assignments used, quality = 0.92: * H GLU 17 + HG3 GLU 17 OK 77 100 - 77 - 5.1=36, 6257/1.8=23...(10) H GLU 17 + HG3 GLU 48 OK 33 84 - 39 - 6258=9, 6252/1.8=8...(12) H ILE 15 + HG3 GLU 17 OK 30 90 - 34 - 751/1.8=6, 3.6/8478=5...(11) H LYS 90 + HG3 GLU 17 OK 20 70 - 29 - 6.1/12232=5, 751/1.8=4...(11) H LYS 13 + HG3 GLU 17 OK 14 87 - 16 - 751/1.8=3, 736/3.0=2...(6) H ILE 15 - HG3 GLU 48 poor 8 70 - 12 - 4.9/8417=2, 4.9/8415=2...(5) H GLU 17 - HG3 GLU 99 poor 8 65 - 11 - 6258=2, 12267/3.0=2, 12267/3.0=2 H GLU 75 - HG3 GLU 17 lone 7 84 - 8 - 751/1.8=2, 7239/3.0=2, 736/3.0=1 H SER 102 - HG3 GLU 17 lone 6 99 - 6 - 751/1.8=1, 736/3.0=1 H LYS 13 - HG3 GLU 48 lone 4 67 - 6 - 4.6/6149=2 H ILE 15 - HG3 GLU 99 lone 3 53 - 6 - H LYS 90 - HG3 GLU 48 lone 3 52 - 6 - H SER 102 - HG3 GLU 99 lone 3 64 - 4 - 12267/3.0=2, 12267/3.0=2 H LYS 39 - HG3 GLU 17 lone 2 57 - 4 - H LYS 90 - HG3 GLU 99 lone 2 38 - 6 - 12266/3.0=1, 12267/3.0=1 H GLU 75 - HG3 GLU 48 lone 2 64 - 3 - H SER 102 - HG3 GLU 48 lone 2 82 - 2 - H LYS 13 - HG3 GLU 99 lone 1 50 - 3 - H LYS 39 - HG3 GLU 48 lone 1 42 - 3 - H GLU 75 - HG3 GLU 99 lone 1 48 - 2 - H LYS 39 - HG3 GLU 99 lone 0 31 - 1 - Peak 759 from cnoeabs.peaks (4.05, 2.43, 36.00 ppm; 3.68 A): 1 out of 15 assignments used, quality = 0.95: * HA GLU 17 + HG3 GLU 17 OK 95 100 - 95 - 3.9=81, 752/1.8=20...(13) HA LYS 20 - HG3 GLU 17 OK 33 100 - 33 - 737/3.0=8, 752/1.8=7...(12) HA GLU 16 - HG3 GLU 48 OK 32 76 - 43 - 689/1.8=6, 690/3.0=5...(16) HA GLU 16 - HG3 GLU 17 OK 29 96 - 31 - 3.6/6258=10, 752/1.8=6...(6) HA GLU 17 - HG3 GLU 48 OK 29 84 - 35 - 2.9/6258=5, 730=5...(13) HB2 SER 49 - HG3 GLU 48 OK 20 81 - 25 - 3.9/6802=6, 9079/4.9=5...(7) HB2 SER 49 - HG3 GLU 17 OK 16 99 - 16 - 4.3/11027=2, 752/1.8=2...(7) HA GLU 17 - HG3 GLU 99 poor 7 65 - 10 - 730=2, 2.9/6258=2...(4) HA LYS 20 - HG3 GLU 48 lone 5 84 - 6 - HA LYS 20 - HG3 GLU 99 lone 3 65 - 5 - 844/4.7=1 HB2 SER 49 - HG3 GLU 99 lone 3 63 - 5 - 3.9/6802=2, 4.3/6816=1 HB3 SER 59 - HG3 GLU 48 lone 2 55 - 5 - 9405/4.1=2 HB3 SER 59 - HG3 GLU 17 lone 2 73 - 3 - HA GLU 16 - HG3 GLU 99 lone 2 58 - 4 - 3.6/6258=1 HB3 SER 59 - HG3 GLU 99 lone 0 41 - 1 - Peak 760 from cnoeabs.peaks (1.94, 2.43, 36.00 ppm; 3.31 A): 2 out of 33 assignments used, quality = 1.00: * HB2 GLU 17 + HG3 GLU 17 OK 100 100 - 100 - 3.0=100 HB2 MET 1 + HG3 GLU 17 OK 53 100 - 54 - 753/1.8=8, 1.8/761=7...(22) HB3 LYS 20 - HG3 GLU 17 OK 27 97 - 29 - 870/3.9=4, 753/1.8=4...(13) HB2 GLU 17 - HG3 GLU 48 OK 18 84 - 21 - 4.0/6258=3, 741=3...(7) HB3 ARG 19 - HG3 GLU 17 OK 17 87 - 20 - 798/3.9=4, ~12027=2...(8) HB3 LYS 73 - HG3 GLU 17 OK 11 77 - 14 - 4.1/7200=2, 753/1.8=2...(6) HB2 LYS 73 - HG3 GLU 17 OK 10 73 - 14 - 4.1/7200=2, 753/1.8=2...(6) HB2 LYS 94 - HG3 GLU 17 poor 8 61 - 12 - ~12256=1, 1.8/761=1, 753/1.8=1 HB2 MET 1 - HG3 GLU 48 lone 6 84 - 7 - HB VAL 32 - HG3 GLU 17 lone 5 100 - 5 - HB2 GLU 17 - HG3 GLU 99 lone 5 65 - 7 - 741=1 HB3 LYS 47 - HG3 GLU 17 lone 4 70 - 6 - 4.7/6794=1 HG3 GLU 88 - HG3 GLU 17 lone 4 100 - 4 - HB3 LYS 47 - HG3 GLU 48 lone 4 52 - 7 - 4.7/6794=6 HB3 LYS 20 - HG3 GLU 48 lone 3 78 - 4 - HB VAL 32 - HG3 GLU 48 lone 2 84 - 3 - HB2 MET 1 - HG3 GLU 99 lone 2 65 - 3 - HB3 LYS 20 - HG3 GLU 99 lone 2 60 - 3 - 871/4.7=1 HB3 ARG 19 - HG3 GLU 48 lone 2 67 - 2 - HB3 LYS 73 - HG3 GLU 48 lone 1 58 - 3 - HB2 LYS 73 - HG3 GLU 48 lone 1 55 - 2 - HB3 ARG 19 - HG3 GLU 99 lone 1 50 - 2 - 807/4.7=1 HB3 LYS 47 - HG3 GLU 99 lone 1 38 - 3 - 4.7/6794=2 HB3 ARG 46 - HG3 GLU 17 lone 1 65 - 1 - HB2 LYS 94 - HG3 GLU 48 lone 1 45 - 2 - 6783/4.9=1 HB3 LYS 73 - HG3 GLU 99 lone 1 43 - 2 - HB2 LYS 73 - HG3 GLU 99 lone 1 41 - 2 - HG3 GLU 88 - HG3 GLU 48 lone 1 84 - 1 - HB VAL 32 - HG3 GLU 99 lone 1 65 - 1 - HB2 LYS 94 - HG3 GLU 99 lone 1 33 - 2 - HB3 ARG 46 - HG3 GLU 48 lone 0 48 - 1 - HG3 GLU 88 - HG3 GLU 99 lone 0 65 - 1 - HB3 ARG 46 - HG3 GLU 99 lone 0 36 - 0 - Peak 761 from cnoeabs.peaks (2.01, 2.43, 36.00 ppm; 2.93 A): 1 out of 27 assignments used, quality = 0.96: * HB3 GLU 17 + HG3 GLU 17 OK 96 100 - 96 - 3.0=93, 748/1.8=19...(9) HB3 MET 1 - HG3 GLU 17 OK 44 99 - 45 - 754/1.8=7, 739/3.0=6...(21) HB3 GLU 17 - HG3 GLU 48 OK 14 84 - 17 - 4.0/6258=2, 749=2...(6) HB2 GLN 50 - HG3 GLU 17 OK 12 70 - 18 - 1.8/2294=2, 2286=2...(6) HB3 GLU 44 - HG3 GLU 17 OK 11 98 - 11 - 754/1.8=2, 739/3.0=1, ~754=1 HB2 GLU 44 - HG3 GLU 17 OK 11 98 - 11 - 754/1.8=2, 739/3.0=1, ~754=1 HB2 GLN 50 - HG3 GLU 48 poor 9 52 - 18 - 4.0/6816=3, 3.0/2278=2...(8) HB2 GLU 62 - HG3 GLU 17 lone 8 94 - 9 - 754/1.8=1, 739/3.0=1 HB2 GLU 35 - HG3 GLU 17 lone 8 100 - 8 - 754/1.8=1, 739/3.0=1 HB3 LYS 94 - HG3 GLU 17 lone 7 73 - 10 - 754/1.8=1 QE MET 74 - HG3 GLU 17 lone 6 99 - 6 - QE MET 74 - HG3 GLU 48 lone 5 81 - 6 - 10280/1.8=2, 9589/4.9=1 HB3 MET 1 - HG3 GLU 48 lone 5 82 - 6 - HB3 GLU 17 - HG3 GLU 99 lone 4 65 - 6 - HB2 GLN 50 - HG3 GLU 99 lone 4 38 - 9 - 1.8/2294=1, 2286=1 HB2 GLU 44 - HG3 GLU 48 lone 2 80 - 2 - HB3 GLU 44 - HG3 GLU 48 lone 2 80 - 2 - HB2 GLU 35 - HG3 GLU 48 lone 2 84 - 2 - HB2 GLU 62 - HG3 GLU 99 lone 1 57 - 2 - HB3 MET 1 - HG3 GLU 99 lone 1 64 - 2 - HB2 GLU 62 - HG3 GLU 48 lone 1 74 - 1 - HB3 LYS 94 - HG3 GLU 48 lone 1 55 - 1 - QE MET 74 - HG3 GLU 99 lone 1 63 - 1 - HB3 LYS 94 - HG3 GLU 99 lone 1 41 - 1 - HB2 GLU 35 - HG3 GLU 99 lone 0 65 - 1 - HB2 GLU 44 - HG3 GLU 99 lone 0 61 - 1 - HB3 GLU 44 - HG3 GLU 99 lone 0 61 - 1 - Peak 762 from cnoeabs.peaks (2.24, 2.43, 36.00 ppm; 2.40 A): 1 out of 15 assignments used, quality = 1.00: * HG2 GLU 17 + HG3 GLU 17 OK 100 100 - 100 - 1.8=100 HB3 GLN 72 - HG3 GLU 17 OK 27 94 - 29 - 3204=4, 1.8/3195=3...(14) HG2 GLU 17 - HG3 GLU 48 poor 9 84 - 11 - 756=3 HB3 GLN 72 - HG3 GLU 99 lone 4 57 - 6 - HB3 GLN 72 - HG3 GLU 48 lone 3 74 - 4 - HG3 GLU 62 - HG3 GLU 17 lone 3 61 - 5 - HG2 GLU 62 - HG3 GLU 17 lone 3 61 - 5 - HG2 GLU 17 - HG3 GLU 99 lone 2 65 - 4 - 756=1 HG2 GLU 37 - HG3 GLU 17 lone 1 81 - 1 - HG2 GLU 37 - HG3 GLU 48 lone 0 61 - 0 - HG3 GLU 62 - HG3 GLU 99 lone 0 33 - 1 - HG2 GLU 62 - HG3 GLU 99 lone 0 33 - 1 - HG2 GLU 62 - HG3 GLU 48 lone 0 45 - 0 - HG3 GLU 62 - HG3 GLU 48 lone 0 45 - 0 - HG2 GLU 37 - HG3 GLU 99 lone 0 46 - 0 - Peak 763 from cnoeabs.peaks (2.43, 2.43, 36.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 17 + HG3 GLU 17 OK 100 100 - 100 HG3 GLU 48 + HG3 GLU 48 OK 84 84 - 100 HG3 GLU 99 + HG3 GLU 99 OK 57 57 - 100 Peak 764 from cnoeabs.peaks (8.65, 2.43, 36.00 ppm; 4.93 A): 6 out of 12 assignments used, quality = 0.94: * H ALA 18 + HG3 GLU 17 OK 83 100 - 83 - 742/3.0=29, 757/1.8=28...(9) H ASP 11 + HG3 GLU 17 OK 23 65 - 35 - 757/1.8=5, 3.0/367=4...(12) H ALA 18 + HG3 GLU 48 OK 22 84 - 26 - 4.6/6258=6, 6271=6...(5) H ASN 10 + HG3 GLU 17 OK 21 81 - 26 - 757/1.8=5, 4.6/6143=4...(8) H ASN 10 + HG3 GLU 48 OK 19 61 - 31 - 4.0/8360=9, 4.0/8358=9...(7) H ASP 11 + HG3 GLU 48 OK 16 48 - 33 - 4.6/8360=8, 4.6/8358=8...(8) H ALA 18 - HG3 GLU 99 poor 10 65 - 15 - 6271=3, 6275/4.7=3...(6) H LEU 55 - HG3 GLU 17 lone 5 61 - 8 - 757/1.8=1, 742/3.0=1, 731/3.9=1 H LEU 55 - HG3 GLU 48 lone 3 45 - 8 - 10660/3.0=2, 4.1/9238=2 H ASP 11 - HG3 GLU 99 lone 3 36 - 8 - 3.0/367=1 H ASN 10 - HG3 GLU 99 lone 3 46 - 6 - 4.6/6143=1, 4.0/8360=1 H LEU 55 - HG3 GLU 99 lone 1 33 - 2 - Peak 765 from cnoeabs.peaks (8.65, 3.77, 54.96 ppm; 3.57 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 18 + HA ALA 18 OK 100 100 - 100 - 2.9=100 H ASN 10 - HA ALA 18 poor 10 81 - 12 - 773/2.1=3, 6281/3.6=2...(4) H LEU 55 - HA ALA 18 poor 8 61 - 14 - 4.1/8481=4, 773/2.1=2...(5) H ASP 11 - HA ALA 18 lone 5 65 - 8 - 773/2.1=2, 4.6/8490=1 Peak 766 from cnoeabs.peaks (3.77, 3.77, 54.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 18 + HA ALA 18 OK 100 100 - 100 Peak 767 from cnoeabs.peaks (1.23, 3.77, 54.96 ppm; 2.92 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 18 + HA ALA 18 OK 100 100 - 100 - 2.1=100 QG2 THR 84 - HA ALA 18 lone 7 77 - 9 - 4.3/769=2, 6283/3.6=2 Peak 768 from cnoeabs.peaks (8.90, 3.77, 54.96 ppm; 4.46 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 19 + HA ALA 18 OK 100 100 - 100 - 3.6=100 H ASP 77 - HA ALA 18 OK 16 90 - 18 - 776/2.1=6, 6274/2.9=5...(4) H VAL 5 - HA ALA 18 OK 13 65 - 20 - 776/2.1=4, 10915/9727=3...(8) Peak 769 from cnoeabs.peaks (7.68, 3.77, 54.96 ppm; 4.08 A): 3 out of 3 assignments used, quality = 0.94: * H MET 21 + HA ALA 18 OK 91 100 - 91 - 6319=50, 4.6/6341=24...(16) H SER 85 + HA ALA 18 OK 26 99 - 25 - 7371/2.1=5, 9863/9727=5...(7) HD22 ASN 51 + HA ALA 18 OK 18 100 - 18 - 960/959=4, 6345/6341=3...(5) Peak 770 from cnoeabs.peaks (2.05, 3.77, 54.96 ppm; 3.72 A): 2 out of 11 assignments used, quality = 0.90: * HB2 MET 21 + HA ALA 18 OK 73 100 - 73 - 959=32, 4.0/6319=21...(10) HG12 ILE 93 + HA ALA 18 OK 63 84 - 75 - 2.1/10026=37, ~10020=23...(12) HB2 GLU 99 - HA ALA 18 lone 7 97 - 7 - 3.9/8498=2, ~10437=1 HB3 GLU 99 - HA ALA 18 lone 6 84 - 7 - 3.9/8498=2 HB3 GLU 48 - HA ALA 18 lone 6 100 - 6 - ~6271=1, ~764=1 HB2 GLU 98 - HA ALA 18 lone 5 98 - 5 - 4.6/8498=2 HB3 GLU 98 - HA ALA 18 lone 5 97 - 5 - 4.6/8498=2 HG3 GLU 28 - HA ALA 18 lone 4 84 - 5 - 5.0/8498=2, ~8488=1 HG2 GLU 28 - HA ALA 18 lone 4 84 - 5 - 5.0/8498=2, ~8488=1 HB2 MET 74 - HA ALA 18 lone 4 87 - 4 - 6333/6319=1 HB3 GLU 43 - HA ALA 18 lone 1 81 - 1 - Peak 771 from cnoeabs.peaks (2.40, 3.77, 54.96 ppm; 5.50 A): 2 out of 4 assignments used, quality = 0.99: * HB3 MET 21 + HA ALA 18 OK 94 100 - 94 - 1.8/959=49, 4.0/6319=41...(14) HG3 MET 21 + HA ALA 18 OK 89 100 - 89 - 3.0/959=44, 5.1/6319=34...(14) HG2 GLN 50 - HA ALA 18 OK 21 100 - 21 - 3.7/8493=3, 963/959=3...(9) HG3 MET 1 - HA ALA 18 poor 8 61 - 13 - ~6269=4, ~6268=3, ~8485=2 Peak 772 from cnoeabs.peaks (3.26, 1.23, 17.96 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.86: * HA ILE 15 + QB ALA 18 OK 86 100 - 86 - 643=46, 6263/2.9=21...(19) Peak 773 from cnoeabs.peaks (8.65, 1.23, 17.96 ppm; 3.04 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 18 + QB ALA 18 OK 100 100 - 100 - 2.9=100 H ASN 10 - QB ALA 18 lone 8 81 - 10 - 765/2.1=2, 10378/8278=2...(4) H LEU 55 - QB ALA 18 poor 7 61 - 11 - 4.5/8486=2, 765/2.1=2...(5) H ASP 11 - QB ALA 18 lone 6 65 - 9 - 8400/12013=1...(4) Peak 774 from cnoeabs.peaks (3.77, 1.23, 17.96 ppm; 2.99 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 18 + QB ALA 18 OK 100 100 - 100 - 2.1=100 Peak 775 from cnoeabs.peaks (1.23, 1.23, 17.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 18 + QB ALA 18 OK 100 100 - 100 Peak 776 from cnoeabs.peaks (8.90, 1.23, 17.96 ppm; 3.42 A): 1 out of 3 assignments used, quality = 0.97: * H ARG 19 + QB ALA 18 OK 97 100 - 97 - 3.6=87, 6282/2.1=35...(19) H ASP 77 - QB ALA 18 OK 16 90 - 18 - 6274/2.9=3, 768/2.1=3...(6) H VAL 5 - QB ALA 18 poor 10 65 - 15 - 768/2.1=2, 6274/2.9=2...(6) Peak 777 from cnoeabs.peaks (8.90, 3.81, 59.98 ppm; 3.59 A): 1 out of 6 assignments used, quality = 1.00: * H ARG 19 + HA ARG 19 OK 100 100 - 100 - 3.0=100 H ARG 19 - HA LYS 68 OK 37 95 - 39 - 6284=9, 3.9/790=4...(18) H ASP 77 - HA ARG 19 OK 27 90 - 30 - 799/3.0=6, 789/3.0=6...(10) H VAL 5 - HA ARG 19 OK 13 65 - 20 - 789/3.0=2, 799/3.0=2...(10) H VAL 5 - HA LYS 68 poor 8 58 - 13 - 4.0/8182=3, 3.9/10368=3...(4) H ASP 77 - HA LYS 68 lone 5 82 - 6 - Peak 778 from cnoeabs.peaks (3.81, 3.81, 59.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ARG 19 + HA ARG 19 OK 100 100 - 100 HA LYS 68 + HA LYS 68 OK 94 94 - 100 Peak 779 from cnoeabs.peaks (1.89, 3.81, 59.98 ppm; 3.01 A): 2 out of 14 assignments used, quality = 1.00: * HB2 ARG 19 + HA ARG 19 OK 100 100 - 100 - 3.0=100 HB2 LYS 20 + HA ARG 19 OK 56 100 - 56 - 859/3.6=7, 801/3.0=7...(26) HB2 ARG 19 - HA LYS 68 OK 27 95 - 29 - 790=5, 1.8/800=4...(11) HB VAL 54 - HA ARG 19 OK 27 97 - 28 - 6285/3.0=3, 2.1/8507=3...(12) HB ILE 8 - HA ARG 19 OK 26 100 - 26 - 801/3.0=3, 819/4.0=2...(13) HB2 LYS 20 - HA LYS 68 OK 12 95 - 12 - 4.0/6299=2, 4.6/6321=2...(4) HG LEU 42 - HA LYS 68 poor 10 94 - 10 - 1934/2.9=2, ~1950=2...(5) HB VAL 54 - HA LYS 68 lone 7 90 - 8 - 2.1/8509=1 HB3 LEU 14 - HA ARG 19 lone 6 92 - 7 - 6285/3.0=1 HG LEU 42 - HA ARG 19 lone 6 99 - 6 - HB2 GLU 43 - HA LYS 68 lone 6 73 - 8 - 1962/2.9=2, 4.0/2986=2, ~1970=1 HB ILE 8 - HA LYS 68 lone 3 95 - 4 - HB3 LEU 14 - HA LYS 68 lone 3 84 - 4 - HB2 GLU 43 - HA ARG 19 lone 2 81 - 2 - Peak 780 from cnoeabs.peaks (1.93, 3.81, 59.98 ppm; 3.22 A): 2 out of 24 assignments used, quality = 1.00: * HB3 ARG 19 + HA ARG 19 OK 100 100 - 100 - 3.0=100 HB3 LYS 20 + HA ARG 19 OK 63 99 - 64 - 871/3.6=11, 792/3.0=8...(28) HB3 ARG 19 - HA LYS 68 OK 32 95 - 33 - 800=6, 1.8/790=5...(12) HB2 GLU 17 - HA ARG 19 OK 28 87 - 33 - 6286/3.0=4, 6308/3.6=4...(13) HB2 LYS 94 - HA ARG 19 OK 15 97 - 16 - 4.0/12163=2, 792/3.0=2...(6) HB2 LYS 94 - HA LYS 68 OK 14 90 - 16 - 4.0/12163=2, 4189/4.0=1...(4) HB3 LYS 20 - HA LYS 68 OK 13 93 - 14 - 4.0/6299=3, 4.6/6321=2...(4) HB VAL 32 - HA ARG 19 lone 7 90 - 8 - 10153/3.6=1 HB2 MET 1 - HA ARG 19 lone 5 87 - 5 - HB VAL 32 - HA LYS 68 lone 5 82 - 6 - ~9530=3 HB3 LYS 47 - HA ARG 19 lone 4 99 - 4 - HG3 GLU 88 - HA ARG 19 lone 3 81 - 4 - HB2 LYS 13 - HA ARG 19 lone 3 84 - 4 - HB2 GLU 17 - HA LYS 68 lone 3 79 - 4 - HB3 LYS 13 - HA ARG 19 lone 3 77 - 4 - HB3 LYS 47 - HA LYS 68 lone 2 93 - 2 - HG3 GLU 88 - HA LYS 68 lone 2 73 - 3 - HB2 MET 1 - HA LYS 68 lone 2 79 - 2 - HB2 LYS 33 - HA ARG 19 lone 2 87 - 2 - HB2 LYS 13 - HA LYS 68 lone 1 76 - 2 - HB3 LYS 33 - HA ARG 19 lone 1 81 - 2 - HB3 LYS 13 - HA LYS 68 lone 1 69 - 2 - HB2 LYS 33 - HA LYS 68 lone 0 79 - 1 - HB3 LYS 33 - HA LYS 68 lone 0 73 - 1 - Peak 781 from cnoeabs.peaks (1.58, 3.81, 59.98 ppm; 3.43 A): 2 out of 28 assignments used, quality = 0.96: * HG2 ARG 19 + HA ARG 19 OK 90 100 - 90 - 4.0=61, 1.8/818=15...(24) HB3 LEU 29 + HA ARG 19 OK 57 90 - 64 - 3.1/8685=12, 3.1/8688=11...(23) HG2 ARG 19 - HA LYS 68 OK 29 95 - 31 - 809=6, 1.8/818=5...(10) HG3 LYS 90 - HA LYS 68 OK 26 95 - 28 - 2.8/2999=5, 3960/3.0=4...(10) HB3 LEU 29 - HA LYS 68 OK 24 82 - 30 - 3.1/8685=6, 3.1/8688=5...(9) HD3 LYS 94 - HA LYS 68 OK 20 76 - 26 - 4245/4.0=2, 3940/3.0=1...(8) HG3 LYS 12 - HA LYS 68 OK 16 87 - 18 - 3.0/3011=3, 3.0/3011=2...(5) HD3 LYS 94 - HA ARG 19 OK 14 84 - 17 - 803/3.0=2, 793/3.0=2...(5) HD2 LYS 66 - HA LYS 68 OK 14 66 - 21 - 3.6/782=3, 3.6/2989=2...(5) HG LEU 27 - HA ARG 19 OK 12 84 - 14 - 2.1/8640=3, 2.1/8641=2...(6) HG LEU 27 - HA LYS 68 OK 11 76 - 15 - 2.1/8640=4, 2.1/8509=1...(4) HB2 LEU 103 - HA LYS 68 OK 11 95 - 11 - 4.0/7647=3, ~7100=2...(5) HD2 LYS 66 - HA ARG 19 poor 9 73 - 13 - 3.6/782=2, 2932/4.0=2...(5) HB2 LEU 103 - HA ARG 19 lone 8 100 - 8 - 4.0/7647=1 HG3 LYS 12 - HA ARG 19 lone 8 94 - 8 - HG3 LYS 90 - HA ARG 19 lone 8 100 - 8 - HG LEU 103 - HA ARG 19 lone 7 100 - 7 - HG LEU 103 - HA LYS 68 lone 6 95 - 7 - 5.3/7647=2, ~9530=1, 3.7/10115=1 HD3 LYS 82 - HA ARG 19 lone 6 61 - 10 - 3.5/782=2, 821/4.0=1...(4) HG2 LYS 24 - HA ARG 19 lone 4 100 - 4 - HB2 ARG 30 - HA ARG 19 lone 3 65 - 5 - HG3 LYS 73 - HA ARG 19 lone 3 84 - 4 - HB2 ARG 79 - HA LYS 68 lone 3 69 - 4 - HG3 LYS 73 - HA LYS 68 lone 2 76 - 3 - HG2 LYS 24 - HA LYS 68 lone 2 95 - 2 - HB2 ARG 79 - HA ARG 19 lone 2 77 - 3 - HD3 LYS 82 - HA LYS 68 lone 2 55 - 3 - HB2 ARG 30 - HA LYS 68 lone 1 58 - 2 - Peak 782 from cnoeabs.peaks (1.76, 3.81, 59.98 ppm; 3.61 A): 2 out of 12 assignments used, quality = 0.96: * HG3 ARG 19 + HA ARG 19 OK 94 100 - 94 - 4.0=71, 6288/3.0=16...(23) HB2 LYS 66 + HA LYS 68 OK 33 92 - 37 - ~7102=6, ~10774=4...(12) HG3 ARG 19 - HA LYS 68 OK 32 95 - 34 - 818=7, 1.8/809=5...(9) HB2 LYS 66 - HA ARG 19 OK 26 98 - 27 - 804/3.0=4, 794/3.0=4...(9) HB3 LYS 82 - HA ARG 19 OK 21 99 - 21 - 794/3.0=4, 804/3.0=4...(7) HB ILE 56 - HA ARG 19 OK 20 100 - 20 - 794/3.0=4, 804/3.0=4...(6) HB ILE 56 - HA LYS 68 OK 12 95 - 12 - 10783/4.9=6, 9729/10260=1 HB3 LYS 82 - HA LYS 68 lone 8 94 - 9 - 10783/4.9=1 HB2 GLU 28 - HA ARG 19 lone 6 65 - 9 - 4.0/785=2, 6303/3.6=1 HB2 GLU 28 - HA LYS 68 lone 5 58 - 8 - ~7100=2, ~2997=1...(4) HB3 GLU 63 - HA ARG 19 lone 3 65 - 5 - HB3 GLU 63 - HA LYS 68 lone 2 58 - 4 - Peak 783 from cnoeabs.peaks (3.18, 3.81, 59.98 ppm; 4.58 A): 2 out of 10 assignments used, quality = 1.00: HD3 ARG 19 + HA ARG 19 OK 96 100 - 96 - 5.4=61, 3.0/818=19...(23) * HD2 ARG 19 + HA ARG 19 OK 96 100 - 96 - 5.4=61, 3.0/818=19...(23) HD3 ARG 19 - HA LYS 68 OK 35 95 - 37 - 3.0/818=7, 3.6/790=7...(9) HD2 ARG 19 - HA LYS 68 OK 35 95 - 37 - 3.0/818=7, 3.6/790=7...(9) HB2 HIS 106 - HA ARG 19 lone 7 96 - 7 - 805/3.0=1, 796/3.0=1...(4) HD3 ARG 46 - HA ARG 19 lone 5 70 - 8 - 6290/3.0=1, 805/3.0=1, 796/3.0=1 HD3 ARG 46 - HA LYS 68 lone 5 62 - 8 - 3.0/2988=1, ~2108=1, ~7107=1 HB3 TRP 92 - HA ARG 19 lone 2 61 - 3 - HB2 HIS 106 - HA LYS 68 lone 1 89 - 2 - HB3 TRP 92 - HA LYS 68 lone 1 55 - 2 - Peak 784 from cnoeabs.peaks (3.18, 3.81, 59.98 ppm; 4.58 A): 2 out of 10 assignments used, quality = 1.00: * HD3 ARG 19 + HA ARG 19 OK 96 100 - 96 - 5.4=61, 3.0/818=19...(23) HD2 ARG 19 + HA ARG 19 OK 96 100 - 96 - 5.4=61, 3.0/818=19...(23) HD3 ARG 19 - HA LYS 68 OK 35 95 - 37 - 3.0/818=7, 3.6/790=7...(9) HD2 ARG 19 - HA LYS 68 OK 35 95 - 37 - 3.0/818=7, 3.6/790=7...(9) HB2 HIS 106 - HA ARG 19 lone 7 96 - 7 - 805/3.0=1, 796/3.0=1...(4) HD3 ARG 46 - HA ARG 19 lone 5 70 - 8 - 6290/3.0=1, 805/3.0=1, 796/3.0=1 HD3 ARG 46 - HA LYS 68 lone 5 62 - 8 - 3.0/2988=1, ~2108=1, ~7107=1 HB3 TRP 92 - HA ARG 19 lone 2 61 - 3 - HB2 HIS 106 - HA LYS 68 lone 1 89 - 2 - HB3 TRP 92 - HA LYS 68 lone 1 55 - 2 - Peak 785 from cnoeabs.peaks (7.79, 3.81, 59.98 ppm; 4.14 A): 2 out of 12 assignments used, quality = 1.00: * H LYS 20 + HA ARG 19 OK 100 100 - 100 - 3.6=100 H LYS 66 + HA LYS 68 OK 46 84 - 55 - 7078/2.9=16, ~7102=8...(15) H LYS 20 - HA LYS 68 OK 42 95 - 44 - 6299=9, 4.1/790=5...(16) H GLU 99 - HA ARG 19 OK 32 100 - 32 - 7601=6, 6291/3.0=4...(10) H GLU 28 - HA ARG 19 OK 30 98 - 30 - 6291/3.0=5, 797/3.0=4...(9) H LYS 66 - HA ARG 19 OK 29 92 - 31 - 797/3.0=4, 6291/3.0=4...(11) H GLU 28 - HA LYS 68 OK 22 92 - 24 - 7101/2.9=4, 4.7/8640=3...(8) HE ARG 30 - HA ARG 19 OK 15 100 - 14 - 6291/3.0=2, 807/3.0=2...(6) H GLU 99 - HA LYS 68 OK 12 95 - 13 - 7601=2, 4.6/7587=2...(5) H SER 9 - HA ARG 19 OK 10 61 - 17 - 4.4/779=2, 797/3.0=2...(7) HE ARG 30 - HA LYS 68 lone 4 95 - 4 - H SER 9 - HA LYS 68 lone 3 55 - 6 - 7101/2.9=2 Peak 786 from cnoeabs.peaks (8.81, 3.81, 59.98 ppm; 4.23 A): 3 out of 6 assignments used, quality = 0.81: * H ALA 22 + HA ARG 19 OK 68 100 - 68 - 6316/3.6=19, 8569/4.9=17...(17) H ALA 22 + HA LYS 68 OK 34 95 - 36 - 6342=7, 2.9/1007=5...(13) H ILE 8 + HA ARG 19 OK 10 65 - 16 - 6316/3.6=3, 3.8/779=3...(5) H SER 59 - HA ARG 19 lone 6 65 - 9 - 6316/3.6=2, 4.0/10791=2 H ILE 8 - HA LYS 68 lone 4 58 - 6 - H SER 59 - HA LYS 68 lone 3 58 - 5 - Peak 787 from cnoeabs.peaks (1.44, 3.81, 59.98 ppm; 3.04 A): 8 out of 16 assignments used, quality = 0.94: HG LEU 29 + HA ARG 19 OK 54 100 - 54 - 2.1/8685=12, 2.1/8688=11...(19) HG3 LYS 39 + HA LYS 68 OK 41 92 - 45 - 1.8/3033=5, 1716/3.0=5...(19) * QB ALA 22 + HA ARG 19 OK 37 100 - 37 - 1007=12, 2.9/786=8...(12) HG13 ILE 76 + HA ARG 19 OK 25 100 - 25 - ~3456=3, 3448/3.0=3...(11) HG LEU 29 + HA LYS 68 OK 25 95 - 26 - 2.1/8685=6, 2.1/8688=5...(9) QB ALA 22 + HA LYS 68 OK 18 95 - 19 - 1007=6, 2.9/786=4...(5) HG12 ILE 7 + HA ARG 19 OK 12 90 - 13 - ~8250=2, ~10377=2...(7) HG2 LYS 12 + HA LYS 68 OK 12 84 - 14 - 3.0/3011=2, 3.0/3011=2...(4) HG3 LYS 39 - HA ARG 19 lone 7 98 - 8 - 10568/8688=1 HG13 ILE 76 - HA LYS 68 lone 7 95 - 8 - HG2 LYS 12 - HA ARG 19 lone 5 92 - 6 - HG2 LYS 13 - HA ARG 19 lone 3 99 - 3 - HG12 ILE 7 - HA LYS 68 lone 3 82 - 3 - HG2 LYS 13 - HA LYS 68 lone 2 93 - 2 - HG3 ARG 91 - HA ARG 19 lone 2 70 - 3 - HG3 ARG 91 - HA LYS 68 lone 1 62 - 1 - Peak 788 from cnoeabs.peaks (4.04, 1.89, 29.57 ppm; 3.97 A): 3 out of 5 assignments used, quality = 0.97: HA LYS 20 + HB2 ARG 19 OK 85 97 - 88 - 798/1.8=17, 2.9/6300=15...(31) HA GLU 17 + HB2 ARG 19 OK 60 96 - 63 - 5.0/10439=13, 732/4.1=13...(18) * HA GLU 16 + HB2 ARG 19 OK 43 100 - 43 - 798/1.8=8, 692/3.9=8...(11) HB3 SER 59 - HB2 ARG 19 OK 13 96 - 13 - 798/1.8=2, 8503/3.0=2...(6) HB2 SER 49 - HB2 ARG 19 lone 6 84 - 8 - 6306/4.1=1, 798/1.8=1 Peak 789 from cnoeabs.peaks (8.90, 1.89, 29.57 ppm; 3.64 A): 1 out of 3 assignments used, quality = 0.97: * H ARG 19 + HB2 ARG 19 OK 97 100 - 97 - 3.9=84, 799/1.8=25...(20) H ASP 77 - HB2 ARG 19 OK 28 90 - 31 - 799/1.8=8, 817/3.0=5...(8) H VAL 5 - HB2 ARG 19 OK 11 65 - 17 - 799/1.8=3, 817/3.0=2...(6) Peak 790 from cnoeabs.peaks (3.81, 1.89, 29.57 ppm; 3.64 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 19 + HB2 ARG 19 OK 100 100 - 100 - 3.0=100 HA LYS 68 - HB2 ARG 19 OK 39 99 - 40 - 800/1.8=7, 779=5...(14) HA SER 97 - HB2 ARG 19 OK 37 97 - 38 - 10070/3.0=8, 10071/3.6=7...(9) HA ALA 22 - HB2 ARG 19 OK 25 70 - 37 - ~786=5, ~10456=5...(13) HB3 SER 102 - HB2 ARG 19 OK 10 100 - 10 - 800/1.8=2, 809/3.0=1...(4) Peak 791 from cnoeabs.peaks (1.89, 1.89, 29.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 19 + HB2 ARG 19 OK 100 100 - 100 Peak 792 from cnoeabs.peaks (1.93, 1.89, 29.57 ppm; 2.40 A): 2 out of 12 assignments used, quality = 1.00: * HB3 ARG 19 + HB2 ARG 19 OK 100 100 - 100 - 1.8=100 HB3 LYS 20 + HB2 ARG 19 OK 49 99 - 50 - 873=12, 871/4.1=4...(24) HB2 GLU 17 - HB2 ARG 19 OK 17 87 - 19 - 2.9/733=3, ~798=2...(8) HB2 LYS 94 - HB2 ARG 19 lone 9 97 - 10 - HB VAL 32 - HB2 ARG 19 lone 5 90 - 5 - HB2 MET 1 - HB2 ARG 19 lone 3 87 - 3 - HB3 LYS 47 - HB2 ARG 19 lone 3 99 - 2 - HG3 GLU 88 - HB2 ARG 19 lone 2 81 - 2 - HB2 LYS 13 - HB2 ARG 19 lone 2 84 - 2 - HB3 LYS 13 - HB2 ARG 19 lone 1 77 - 2 - HB2 LYS 33 - HB2 ARG 19 lone 1 87 - 1 - HB3 LYS 33 - HB2 ARG 19 lone 1 81 - 1 - Peak 793 from cnoeabs.peaks (1.58, 1.89, 29.57 ppm; 3.71 A): 2 out of 14 assignments used, quality = 1.00: * HG2 ARG 19 + HB2 ARG 19 OK 100 100 - 100 - 3.0=100 HB3 LEU 29 + HB2 ARG 19 OK 65 90 - 73 - 3.1/8515=9, 3.1/8515=9...(27) HD3 LYS 94 - HB2 ARG 19 OK 20 84 - 24 - 803/1.8=3, 821/3.0=2...(8) HD2 LYS 66 - HB2 ARG 19 OK 16 73 - 22 - 3.6/794=4, 2932/3.0=2...(6) HD3 LYS 82 - HB2 ARG 19 OK 15 61 - 24 - 3.5/794=4, 821/3.0=2...(10) HG LEU 27 - HB2 ARG 19 OK 12 84 - 14 - 6302/4.1=2, ~8640=2...(5) HB2 LEU 103 - HB2 ARG 19 lone 10 100 - 10 - 803/1.8=1 HG3 LYS 90 - HB2 ARG 19 lone 9 100 - 9 - 803/1.8=1 HG LEU 103 - HB2 ARG 19 lone 8 100 - 8 - 803/1.8=1 HG3 LYS 12 - HB2 ARG 19 lone 7 94 - 7 - HG2 LYS 24 - HB2 ARG 19 lone 4 100 - 4 - HB2 ARG 30 - HB2 ARG 19 lone 4 65 - 6 - 5.0/797=1 HG3 LYS 73 - HB2 ARG 19 lone 3 84 - 4 - HB2 ARG 79 - HB2 ARG 19 lone 3 77 - 3 - Peak 794 from cnoeabs.peaks (1.76, 1.89, 29.57 ppm; 3.29 A): 1 out of 6 assignments used, quality = 1.00: * HG3 ARG 19 + HB2 ARG 19 OK 100 100 - 100 - 3.0=100 HB2 LYS 66 - HB2 ARG 19 OK 27 98 - 28 - 804/1.8=5, 813/3.0=4...(11) HB3 LYS 82 - HB2 ARG 19 OK 27 99 - 27 - 804/1.8=5, 813/3.0=4...(13) HB ILE 56 - HB2 ARG 19 OK 23 100 - 23 - 804/1.8=4, 813/3.0=3...(9) HB2 GLU 28 - HB2 ARG 19 lone 6 65 - 9 - 4.0/797=2, 804/1.8=1 HB3 GLU 63 - HB2 ARG 19 lone 4 65 - 6 - Peak 795 from cnoeabs.peaks (3.18, 1.89, 29.57 ppm; 3.87 A): 2 out of 5 assignments used, quality = 1.00: HD3 ARG 19 + HB2 ARG 19 OK 100 100 - 100 - 3.6=100 * HD2 ARG 19 + HB2 ARG 19 OK 100 100 - 100 - 3.6=100 HB2 HIS 106 - HB2 ARG 19 lone 6 96 - 6 - 806/1.8=1 HD3 ARG 46 - HB2 ARG 19 lone 6 70 - 8 - 805/1.8=1 HB3 TRP 92 - HB2 ARG 19 lone 2 61 - 3 - Peak 796 from cnoeabs.peaks (3.18, 1.89, 29.57 ppm; 3.87 A): 2 out of 5 assignments used, quality = 1.00: * HD3 ARG 19 + HB2 ARG 19 OK 100 100 - 100 - 3.6=100 HD2 ARG 19 + HB2 ARG 19 OK 100 100 - 100 - 3.6=100 HB2 HIS 106 - HB2 ARG 19 lone 6 96 - 6 - 806/1.8=1 HD3 ARG 46 - HB2 ARG 19 lone 6 70 - 8 - 805/1.8=1 HB3 TRP 92 - HB2 ARG 19 lone 2 61 - 3 - Peak 797 from cnoeabs.peaks (7.79, 1.89, 29.57 ppm; 4.02 A): 1 out of 6 assignments used, quality = 0.99: * H LYS 20 + HB2 ARG 19 OK 99 100 - 99 - 4.1=94, 6298/3.9=22...(24) H LYS 66 - HB2 ARG 19 OK 28 92 - 30 - 807/1.8=5, 7069/3.0=4...(10) H GLU 28 - HB2 ARG 19 OK 25 98 - 26 - 807/1.8=5, 816/3.0=4...(8) H GLU 99 - HB2 ARG 19 OK 23 100 - 23 - 7601/3.0=5, 807/1.8=4...(7) HE ARG 30 - HB2 ARG 19 OK 14 100 - 14 - 807/1.8=3, 816/3.0=2...(5) H SER 9 - HB2 ARG 19 OK 14 61 - 22 - 4.1/8514=4, 3.6/283=3...(9) Peak 798 from cnoeabs.peaks (4.04, 1.93, 29.57 ppm; 3.68 A): 3 out of 5 assignments used, quality = 0.95: HA LYS 20 + HB3 ARG 19 OK 80 97 - 83 - 788/1.8=13, 2.9/6301=13...(28) HA GLU 17 + HB3 ARG 19 OK 55 96 - 58 - 732/4.1=11, 5.0/10440=10...(21) * HA GLU 16 + HB3 ARG 19 OK 39 100 - 39 - 692/3.9=7, 788/1.8=7...(11) HB3 SER 59 - HB3 ARG 19 OK 10 96 - 10 - 788/1.8=2, 8503/3.0=1...(4) HB2 SER 49 - HB3 ARG 19 lone 6 84 - 7 - 6306/4.1=1, 6280/3.9=1 Peak 799 from cnoeabs.peaks (8.90, 1.93, 29.57 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.97: * H ARG 19 + HB3 ARG 19 OK 97 100 - 97 - 3.9=86, 789/1.8=26...(20) H ASP 77 - HB3 ARG 19 OK 30 90 - 33 - 789/1.8=8, 817/3.0=5...(8) H VAL 5 - HB3 ARG 19 OK 11 65 - 17 - 789/1.8=3, 817/3.0=2...(6) Peak 800 from cnoeabs.peaks (3.81, 1.93, 29.57 ppm; 3.73 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 19 + HB3 ARG 19 OK 100 100 - 100 - 3.0=100 HA LYS 68 - HB3 ARG 19 OK 41 99 - 41 - 790/1.8=7, 780=5...(14) HA SER 97 - HB3 ARG 19 OK 38 97 - 40 - 10070/3.0=9, 10071/3.6=7...(9) HA ALA 22 - HB3 ARG 19 OK 27 70 - 39 - ~786=6, ~10456=5...(13) HB3 SER 102 - HB3 ARG 19 OK 11 100 - 10 - 790/1.8=2, 809/3.0=2...(5) Peak 801 from cnoeabs.peaks (1.89, 1.93, 29.57 ppm; 2.45 A): 2 out of 7 assignments used, quality = 1.00: * HB2 ARG 19 + HB3 ARG 19 OK 100 100 - 100 - 1.8=100 HB2 LYS 20 + HB3 ARG 19 OK 50 100 - 50 - 862=11, 3.0/798=5...(25) HB ILE 8 - HB3 ARG 19 OK 22 100 - 22 - 2.1/12205=3, 819/3.0=2...(10) HB VAL 54 - HB3 ARG 19 OK 19 97 - 20 - 2.1/8517=2, ~8515=2...(9) HB3 LEU 14 - HB3 ARG 19 lone 5 92 - 6 - HG LEU 42 - HB3 ARG 19 lone 4 99 - 4 - HB2 GLU 43 - HB3 ARG 19 lone 2 81 - 2 - Peak 802 from cnoeabs.peaks (1.93, 1.93, 29.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 19 + HB3 ARG 19 OK 100 100 - 100 Peak 803 from cnoeabs.peaks (1.58, 1.93, 29.57 ppm; 3.70 A): 2 out of 14 assignments used, quality = 1.00: * HG2 ARG 19 + HB3 ARG 19 OK 100 100 - 100 - 3.0=100 HB3 LEU 29 + HB3 ARG 19 OK 66 90 - 74 - 3.1/8517=10, 3.1/8517=9...(30) HD3 LYS 94 - HB3 ARG 19 OK 23 84 - 27 - 4243=3, 793/1.8=3...(9) HD2 LYS 66 - HB3 ARG 19 OK 16 73 - 22 - 3.6/804=4, 2932/3.0=2...(6) HD3 LYS 82 - HB3 ARG 19 OK 14 61 - 23 - 3.5/804=4, 821/3.0=2...(10) HG LEU 27 - HB3 ARG 19 OK 12 84 - 14 - 6302/4.1=2, ~8640=2...(5) HB2 LEU 103 - HB3 ARG 19 lone 10 100 - 10 - 793/1.8=1 HG3 LYS 90 - HB3 ARG 19 lone 9 100 - 9 - 793/1.8=1 HG LEU 103 - HB3 ARG 19 lone 8 100 - 8 - 793/1.8=1 HG3 LYS 12 - HB3 ARG 19 lone 7 94 - 7 - HG2 LYS 24 - HB3 ARG 19 lone 4 100 - 4 - HB2 ARG 30 - HB3 ARG 19 lone 4 65 - 6 - 5.0/807=1 HG3 LYS 73 - HB3 ARG 19 lone 3 84 - 4 - HB2 ARG 79 - HB3 ARG 19 lone 2 77 - 3 - Peak 804 from cnoeabs.peaks (1.76, 1.93, 29.57 ppm; 3.38 A): 1 out of 6 assignments used, quality = 1.00: * HG3 ARG 19 + HB3 ARG 19 OK 100 100 - 100 - 3.0=100 HB2 LYS 66 - HB3 ARG 19 OK 28 98 - 29 - 794/1.8=5, 813/3.0=4...(12) HB3 LYS 82 - HB3 ARG 19 OK 27 99 - 27 - 794/1.8=5, 813/3.0=4...(14) HB ILE 56 - HB3 ARG 19 OK 23 100 - 23 - 794/1.8=5, 813/3.0=3...(10) HB2 GLU 28 - HB3 ARG 19 lone 6 65 - 10 - 4.0/807=2, 794/1.8=1, 6303/4.1=1 HB3 GLU 63 - HB3 ARG 19 lone 3 65 - 5 - Peak 805 from cnoeabs.peaks (3.18, 1.93, 29.57 ppm; 3.86 A): 2 out of 5 assignments used, quality = 1.00: HD3 ARG 19 + HB3 ARG 19 OK 100 100 - 100 - 3.6=100 * HD2 ARG 19 + HB3 ARG 19 OK 100 100 - 100 - 3.6=100 HB2 HIS 106 - HB3 ARG 19 lone 6 96 - 6 - 795/1.8=1 HD3 ARG 46 - HB3 ARG 19 lone 6 70 - 8 - 796/1.8=1 HB3 TRP 92 - HB3 ARG 19 lone 2 61 - 3 - Peak 806 from cnoeabs.peaks (3.18, 1.93, 29.57 ppm; 3.86 A): 2 out of 5 assignments used, quality = 1.00: * HD3 ARG 19 + HB3 ARG 19 OK 100 100 - 100 - 3.6=100 HD2 ARG 19 + HB3 ARG 19 OK 100 100 - 100 - 3.6=100 HB2 HIS 106 - HB3 ARG 19 lone 6 96 - 6 - 795/1.8=1 HD3 ARG 46 - HB3 ARG 19 lone 6 70 - 8 - 796/1.8=1 HB3 TRP 92 - HB3 ARG 19 lone 2 61 - 3 - Peak 807 from cnoeabs.peaks (7.79, 1.93, 29.57 ppm; 4.07 A): 1 out of 6 assignments used, quality = 0.99: * H LYS 20 + HB3 ARG 19 OK 99 100 - 99 - 4.1=97, 6298/3.9=23...(22) H LYS 66 - HB3 ARG 19 OK 27 92 - 30 - 797/1.8=5, 7069/3.0=4...(9) H GLU 28 - HB3 ARG 19 OK 25 98 - 26 - 797/1.8=5, 816/3.0=4...(8) H GLU 99 - HB3 ARG 19 OK 23 100 - 23 - 7601/3.0=5, 797/1.8=4...(7) HE ARG 30 - HB3 ARG 19 OK 14 100 - 14 - 797/1.8=3, 816/3.0=2...(5) H SER 9 - HB3 ARG 19 OK 12 61 - 19 - 4.1/12205=5, 4.4/801=3...(6) Peak 808 from cnoeabs.peaks (8.90, 1.58, 27.71 ppm; 4.25 A): 1 out of 3 assignments used, quality = 0.97: * H ARG 19 + HG2 ARG 19 OK 97 100 - 97 - 4.9=64, 6288/1.8=26...(22) H ASP 77 - HG2 ARG 19 OK 32 90 - 35 - 817/1.8=9, 799/3.0=8...(8) H VAL 5 - HG2 ARG 19 OK 14 65 - 21 - 817/1.8=4, 789/3.0=3...(8) Peak 809 from cnoeabs.peaks (3.81, 1.58, 27.71 ppm; 3.85 A): 2 out of 5 assignments used, quality = 0.99: * HA ARG 19 + HG2 ARG 19 OK 98 100 - 98 - 4.0=87, 818/1.8=18...(24) HA SER 97 + HG2 ARG 19 OK 46 97 - 47 - 10070=14, 10071/3.0=9...(10) HA LYS 68 - HG2 ARG 19 OK 35 99 - 35 - 818/1.8=7, 790/3.0=6...(10) HA ALA 22 - HG2 ARG 19 OK 20 70 - 29 - ~10456=8, 800/3.0=4...(10) HB3 SER 102 - HG2 ARG 19 OK 11 100 - 11 - 818/1.8=2, 790/3.0=2, 800/3.0=2 Peak 810 from cnoeabs.peaks (1.89, 1.58, 27.71 ppm; 3.37 A): 2 out of 7 assignments used, quality = 1.00: * HB2 ARG 19 + HG2 ARG 19 OK 100 100 - 100 - 3.0=100 HB2 LYS 20 + HG2 ARG 19 OK 66 100 - 67 - 819/1.8=9, 1.8/811=9...(28) HB ILE 8 - HG2 ARG 19 OK 35 100 - 35 - 819/1.8=5, ~8519=4...(21) HB VAL 54 - HG2 ARG 19 OK 34 97 - 35 - 2.1/8518=7, 819/1.8=5...(16) HB3 LEU 14 - HG2 ARG 19 lone 8 92 - 9 - 819/1.8=1, 3.1/8518=1 HG LEU 42 - HG2 ARG 19 lone 7 99 - 7 - HB2 GLU 43 - HG2 ARG 19 lone 3 81 - 3 - Peak 811 from cnoeabs.peaks (1.93, 1.58, 27.71 ppm; 3.46 A): 2 out of 12 assignments used, quality = 1.00: * HB3 ARG 19 + HG2 ARG 19 OK 100 100 - 100 - 3.0=100 HB3 LYS 20 + HG2 ARG 19 OK 68 99 - 69 - 820/1.8=10, 1.8/810=10...(28) HB2 GLU 17 - HG2 ARG 19 OK 34 87 - 40 - 12027=5, 1.8/12029=5...(17) HB2 LYS 94 - HG2 ARG 19 OK 21 97 - 22 - 820/1.8=3, 792/3.0=2...(7) HB VAL 32 - HG2 ARG 19 poor 9 90 - 10 - 2.1/8945=2, 820/1.8=1 HB3 LYS 47 - HG2 ARG 19 lone 6 99 - 6 - HB2 MET 1 - HG2 ARG 19 lone 4 87 - 5 - HG3 GLU 88 - HG2 ARG 19 lone 4 81 - 5 - HB2 LYS 13 - HG2 ARG 19 lone 3 84 - 4 - HB3 LYS 13 - HG2 ARG 19 lone 3 77 - 3 - HB2 LYS 33 - HG2 ARG 19 lone 2 87 - 3 - HB3 LYS 33 - HG2 ARG 19 lone 2 81 - 2 - Peak 812 from cnoeabs.peaks (1.58, 1.58, 27.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 19 + HG2 ARG 19 OK 100 100 - 100 Peak 813 from cnoeabs.peaks (1.76, 1.58, 27.71 ppm; 2.73 A): 1 out of 6 assignments used, quality = 1.00: * HG3 ARG 19 + HG2 ARG 19 OK 100 100 - 100 - 1.8=100 HB3 LYS 82 - HG2 ARG 19 OK 20 99 - 20 - 794/3.0=2, 804/3.0=2...(9) HB2 LYS 66 - HG2 ARG 19 OK 18 98 - 19 - 794/3.0=3, 804/3.0=2...(10) HB ILE 56 - HG2 ARG 19 OK 14 100 - 14 - 794/3.0=2, 804/3.0=2, ~2571=1 HB2 GLU 28 - HG2 ARG 19 lone 4 65 - 7 - 4.0/816=1 HB3 GLU 63 - HG2 ARG 19 lone 2 65 - 3 - Peak 814 from cnoeabs.peaks (3.18, 1.58, 27.71 ppm; 3.24 A): 2 out of 5 assignments used, quality = 1.00: HD3 ARG 19 + HG2 ARG 19 OK 100 100 - 100 - 3.0=100 * HD2 ARG 19 + HG2 ARG 19 OK 100 100 - 100 - 3.0=100 HD3 ARG 46 - HG2 ARG 19 lone 5 70 - 7 - HB2 HIS 106 - HG2 ARG 19 lone 4 96 - 4 - HB3 TRP 92 - HG2 ARG 19 lone 1 61 - 2 - Peak 815 from cnoeabs.peaks (3.18, 1.58, 27.71 ppm; 3.24 A): 2 out of 5 assignments used, quality = 1.00: * HD3 ARG 19 + HG2 ARG 19 OK 100 100 - 100 - 3.0=100 HD2 ARG 19 + HG2 ARG 19 OK 100 100 - 100 - 3.0=100 HD3 ARG 46 - HG2 ARG 19 lone 5 70 - 7 - HB2 HIS 106 - HG2 ARG 19 lone 4 96 - 4 - HB3 TRP 92 - HG2 ARG 19 lone 1 61 - 2 - Peak 816 from cnoeabs.peaks (7.79, 1.58, 27.71 ppm; 4.75 A): 1 out of 6 assignments used, quality = 0.99: * H LYS 20 + HG2 ARG 19 OK 99 100 - 99 - 4.9=91, 6298/4.9=23...(24) H LYS 66 - HG2 ARG 19 OK 36 92 - 40 - 825/1.8=7, 797/3.0=5...(12) H GLU 28 - HG2 ARG 19 OK 35 98 - 36 - 825/1.8=5, 797/3.0=5...(11) H GLU 99 - HG2 ARG 19 OK 30 100 - 30 - 7601/4.0=6, 807/3.0=4...(9) HE ARG 30 - HG2 ARG 19 OK 18 100 - 18 - 825/1.8=3, 807/3.0=3...(7) H SER 9 - HG2 ARG 19 OK 11 61 - 18 - 4.4/810=5, 797/3.0=3...(5) Peak 817 from cnoeabs.peaks (8.90, 1.76, 27.71 ppm; 4.26 A): 1 out of 3 assignments used, quality = 0.96: * H ARG 19 + HG3 ARG 19 OK 96 100 - 96 - 4.9=65, 808/1.8=26...(20) H ASP 77 - HG3 ARG 19 OK 33 90 - 37 - 808/1.8=9, 799/3.0=8...(8) H VAL 5 - HG3 ARG 19 OK 14 65 - 22 - 808/1.8=4, 789/3.0=3...(10) Peak 818 from cnoeabs.peaks (3.81, 1.76, 27.71 ppm; 3.84 A): 1 out of 5 assignments used, quality = 0.98: * HA ARG 19 + HG3 ARG 19 OK 98 100 - 98 - 4.0=86, 3.0/6288=18...(24) HA SER 97 - HG3 ARG 19 OK 39 97 - 41 - 10070/1.8=12...(9) HA LYS 68 - HG3 ARG 19 OK 36 99 - 36 - 809/1.8=6, 782=6...(9) HA ALA 22 - HG3 ARG 19 OK 19 70 - 28 - 2.1/10456=10, 800/3.0=4...(9) HB3 SER 102 - HG3 ARG 19 lone 10 100 - 9 - 809/1.8=2, 790/3.0=2, 800/3.0=2 Peak 819 from cnoeabs.peaks (1.89, 1.76, 27.71 ppm; 3.21 A): 2 out of 7 assignments used, quality = 1.00: * HB2 ARG 19 + HG3 ARG 19 OK 100 100 - 100 - 3.0=100 HB2 LYS 20 + HG3 ARG 19 OK 61 100 - 61 - 1.8/820=9, 810/1.8=8...(26) HB ILE 8 - HG3 ARG 19 OK 35 100 - 35 - 2.1/8519=5, 810/1.8=4...(18) HB VAL 54 - HG3 ARG 19 OK 31 97 - 31 - 2.1/8520=5, 810/1.8=4...(14) HB3 LEU 14 - HG3 ARG 19 lone 8 92 - 9 - 810/1.8=1 HG LEU 42 - HG3 ARG 19 lone 6 99 - 6 - HB2 GLU 43 - HG3 ARG 19 lone 3 81 - 3 - Peak 820 from cnoeabs.peaks (1.93, 1.76, 27.71 ppm; 3.29 A): 2 out of 12 assignments used, quality = 1.00: * HB3 ARG 19 + HG3 ARG 19 OK 100 100 - 100 - 3.0=100 HB3 LYS 20 + HG3 ARG 19 OK 62 99 - 63 - 1.8/819=9, 811/1.8=9...(27) HB2 GLU 17 - HG3 ARG 19 OK 27 87 - 31 - 12027/1.8=4, ~12029=3...(15) HB2 LYS 94 - HG3 ARG 19 OK 17 97 - 18 - 811/1.8=3, 792/3.0=2...(4) HB VAL 32 - HG3 ARG 19 lone 9 90 - 10 - ~8945=2, 811/1.8=1, 10153/4.9=1 HB3 LYS 47 - HG3 ARG 19 lone 4 99 - 4 - HG3 GLU 88 - HG3 ARG 19 lone 4 81 - 4 - HB2 MET 1 - HG3 ARG 19 lone 3 87 - 4 - HB2 LYS 13 - HG3 ARG 19 lone 3 84 - 3 - HB3 LYS 13 - HG3 ARG 19 lone 2 77 - 3 - HB2 LYS 33 - HG3 ARG 19 lone 2 87 - 2 - HB3 LYS 33 - HG3 ARG 19 lone 2 81 - 2 - Peak 821 from cnoeabs.peaks (1.58, 1.76, 27.71 ppm; 2.81 A): 1 out of 14 assignments used, quality = 1.00: * HG2 ARG 19 + HG3 ARG 19 OK 100 100 - 100 - 1.8=100 HB3 LEU 29 - HG3 ARG 19 OK 40 90 - 45 - 3.1/8673=9, 3.1/8520=6...(21) HD3 LYS 82 - HG3 ARG 19 OK 14 61 - 22 - 2.9/3684=3, 3.0/3728=3...(7) HD2 LYS 66 - HG3 ARG 19 OK 13 73 - 18 - 2932=3, 1.8/2943=3...(5) HD3 LYS 94 - HG3 ARG 19 OK 10 84 - 12 - 803/3.0=1, 3.5/820=1, 793/3.0=1 HB2 LEU 103 - HG3 ARG 19 lone 5 100 - 5 - HG LEU 27 - HG3 ARG 19 lone 5 84 - 6 - HG3 LYS 90 - HG3 ARG 19 lone 5 100 - 5 - HG LEU 103 - HG3 ARG 19 lone 5 100 - 5 - HG3 LYS 12 - HG3 ARG 19 lone 4 94 - 4 - HB2 ARG 30 - HG3 ARG 19 lone 2 65 - 3 - HG2 LYS 24 - HG3 ARG 19 lone 2 100 - 2 - HG3 LYS 73 - HG3 ARG 19 lone 2 84 - 2 - HB2 ARG 79 - HG3 ARG 19 lone 1 77 - 2 - Peak 822 from cnoeabs.peaks (1.76, 1.76, 27.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 19 + HG3 ARG 19 OK 100 100 - 100 Peak 823 from cnoeabs.peaks (3.18, 1.76, 27.71 ppm; 3.29 A): 2 out of 5 assignments used, quality = 1.00: HD3 ARG 19 + HG3 ARG 19 OK 100 100 - 100 - 3.0=100 * HD2 ARG 19 + HG3 ARG 19 OK 100 100 - 100 - 3.0=100 HD3 ARG 46 - HG3 ARG 19 lone 6 70 - 8 - HB2 HIS 106 - HG3 ARG 19 lone 4 96 - 4 - HB3 TRP 92 - HG3 ARG 19 lone 1 61 - 2 - Peak 824 from cnoeabs.peaks (3.18, 1.76, 27.71 ppm; 3.29 A): 2 out of 5 assignments used, quality = 1.00: * HD3 ARG 19 + HG3 ARG 19 OK 100 100 - 100 - 3.0=100 HD2 ARG 19 + HG3 ARG 19 OK 100 100 - 100 - 3.0=100 HD3 ARG 46 - HG3 ARG 19 lone 6 70 - 8 - HB2 HIS 106 - HG3 ARG 19 lone 4 96 - 4 - HB3 TRP 92 - HG3 ARG 19 lone 1 61 - 2 - Peak 825 from cnoeabs.peaks (7.79, 1.76, 27.71 ppm; 5.04 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 20 + HG3 ARG 19 OK 100 100 - 100 - 4.9=100 H LYS 66 + HG3 ARG 19 OK 45 92 - 49 - 816/1.8=7, 797/3.0=6...(18) H GLU 28 - HG3 ARG 19 OK 34 98 - 35 - 816/1.8=7, 797/3.0=5...(10) H GLU 99 - HG3 ARG 19 OK 30 100 - 30 - 7601/4.0=7, 816/1.8=6...(8) HE ARG 30 - HG3 ARG 19 OK 19 100 - 18 - 816/1.8=3, 807/3.0=3...(7) H SER 9 - HG3 ARG 19 OK 16 61 - 26 - 4.1/8519=8, 4.4/819=5...(7) Peak 826 from cnoeabs.peaks (8.90, 3.18, 43.16 ppm; 4.44 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 19 + HD2 ARG 19 OK 93 100 - 93 - 6.3=35, 789/3.6=24...(21) H ARG 19 + HD3 ARG 19 OK 93 100 - 93 - 6.3=35, 789/3.6=24...(21) H ASP 77 - HD2 ARG 19 OK 30 90 - 33 - 817/3.0=8, 808/3.0=7...(6) H ASP 77 - HD3 ARG 19 OK 30 90 - 33 - 817/3.0=8, 808/3.0=7...(6) H VAL 5 - HD3 ARG 19 OK 11 65 - 17 - 817/3.0=3, 808/3.0=3...(6) H VAL 5 - HD2 ARG 19 OK 11 65 - 17 - 817/3.0=3, 808/3.0=3...(6) Peak 827 from cnoeabs.peaks (3.81, 3.18, 43.16 ppm; 4.36 A): 2 out of 10 assignments used, quality = 1.00: HA ARG 19 + HD3 ARG 19 OK 95 100 - 95 - 5.4=52, 818/3.0=17...(23) * HA ARG 19 + HD2 ARG 19 OK 95 100 - 95 - 5.4=52, 818/3.0=17...(23) HA SER 97 - HD2 ARG 19 OK 44 97 - 45 - 10071/1.8=14...(9) HA SER 97 - HD3 ARG 19 OK 44 97 - 45 - 10071/1.8=14...(9) HA LYS 68 - HD3 ARG 19 OK 36 99 - 36 - 818/3.0=6, 790/3.6=6...(8) HA LYS 68 - HD2 ARG 19 OK 36 99 - 36 - 818/3.0=6, 790/3.6=6...(8) HA ALA 22 - HD2 ARG 19 OK 18 70 - 26 - ~10456=8, 800/3.6=4...(8) HA ALA 22 - HD3 ARG 19 OK 18 70 - 26 - ~10456=8, 800/3.6=4...(8) HB3 SER 102 - HD3 ARG 19 lone 10 100 - 9 - 809/3.0=2, 818/3.0=2...(4) HB3 SER 102 - HD2 ARG 19 lone 10 100 - 9 - 809/3.0=2, 818/3.0=2...(4) Peak 828 from cnoeabs.peaks (1.89, 3.18, 43.16 ppm; 3.24 A): 4 out of 14 assignments used, quality = 1.00: HB2 ARG 19 + HD3 ARG 19 OK 87 100 - 87 - 3.6=73, 1.8/838=8...(18) * HB2 ARG 19 + HD2 ARG 19 OK 87 100 - 87 - 3.6=73, 1.8/838=8...(18) HB2 LYS 20 + HD3 ARG 19 OK 50 100 - 51 - 819/3.0=6, 801/3.6=6...(18) HB2 LYS 20 + HD2 ARG 19 OK 50 100 - 51 - 819/3.0=6, 801/3.6=6...(18) HB VAL 54 - HD3 ARG 19 OK 21 97 - 21 - 810/3.0=3, 819/3.0=3...(9) HB VAL 54 - HD2 ARG 19 OK 21 97 - 21 - 810/3.0=3, 819/3.0=3...(9) HB ILE 8 - HD2 ARG 19 OK 19 100 - 19 - 819/3.0=4, 810/3.0=3...(7) HB ILE 8 - HD3 ARG 19 OK 19 100 - 19 - 819/3.0=4, 810/3.0=3...(7) HB3 LEU 14 - HD3 ARG 19 lone 5 92 - 5 - HB3 LEU 14 - HD2 ARG 19 lone 5 92 - 5 - HG LEU 42 - HD3 ARG 19 lone 4 99 - 4 - HG LEU 42 - HD2 ARG 19 lone 4 99 - 4 - HB2 GLU 43 - HD2 ARG 19 lone 3 81 - 3 - HB2 GLU 43 - HD3 ARG 19 lone 3 81 - 3 - Peak 829 from cnoeabs.peaks (1.93, 3.18, 43.16 ppm; 3.30 A): 4 out of 24 assignments used, quality = 1.00: HB3 ARG 19 + HD3 ARG 19 OK 90 100 - 90 - 3.6=78, 1.8/828=8...(18) * HB3 ARG 19 + HD2 ARG 19 OK 90 100 - 90 - 3.6=78, 1.8/828=8...(18) HB3 LYS 20 + HD3 ARG 19 OK 51 99 - 52 - 792/3.6=7, 820/3.0=7...(18) HB3 LYS 20 + HD2 ARG 19 OK 51 99 - 52 - 792/3.6=7, 820/3.0=7...(18) HB2 GLU 17 - HD2 ARG 19 OK 18 87 - 20 - 12027/3.0=4, 820/3.0=3...(9) HB2 GLU 17 - HD3 ARG 19 OK 18 87 - 20 - 12027/3.0=4, 820/3.0=3...(9) HB2 LYS 94 - HD3 ARG 19 OK 11 97 - 11 - 811/3.0=2, 820/3.0=2, 792/3.6=1 HB2 LYS 94 - HD2 ARG 19 OK 11 97 - 11 - 811/3.0=2, 820/3.0=2, 792/3.6=1 HB VAL 32 - HD2 ARG 19 lone 5 90 - 6 - ~8945=1 HB VAL 32 - HD3 ARG 19 lone 5 90 - 6 - ~8945=1 HG3 GLU 88 - HD3 ARG 19 lone 3 81 - 4 - HG3 GLU 88 - HD2 ARG 19 lone 3 81 - 4 - HB3 LYS 47 - HD2 ARG 19 lone 3 99 - 3 - HB3 LYS 47 - HD3 ARG 19 lone 3 99 - 3 - HB2 MET 1 - HD3 ARG 19 lone 2 87 - 3 - HB2 MET 1 - HD2 ARG 19 lone 2 87 - 3 - HB2 LYS 13 - HD3 ARG 19 lone 2 84 - 2 - HB2 LYS 13 - HD2 ARG 19 lone 2 84 - 2 - HB3 LYS 13 - HD2 ARG 19 lone 2 77 - 2 - HB3 LYS 13 - HD3 ARG 19 lone 2 77 - 2 - HB2 LYS 33 - HD2 ARG 19 lone 1 87 - 2 - HB2 LYS 33 - HD3 ARG 19 lone 1 87 - 2 - HB3 LYS 33 - HD2 ARG 19 lone 1 81 - 1 - HB3 LYS 33 - HD3 ARG 19 lone 1 81 - 1 - Peak 830 from cnoeabs.peaks (1.58, 3.18, 43.16 ppm; 3.09 A): 2 out of 28 assignments used, quality = 1.00: * HG2 ARG 19 + HD2 ARG 19 OK 100 100 - 100 - 3.0=100 HG2 ARG 19 + HD3 ARG 19 OK 100 100 - 100 - 3.0=100 HB3 LEU 29 - HD2 ARG 19 OK 40 90 - 45 - 3.1/8686=6, 821/3.0=5...(19) HB3 LEU 29 - HD3 ARG 19 OK 40 90 - 45 - 3.1/8686=6, 821/3.0=5...(19) HD3 LYS 82 - HD2 ARG 19 OK 11 61 - 18 - 2.9/8524=2, ~8524=2...(9) HD3 LYS 82 - HD3 ARG 19 OK 11 61 - 18 - 2.9/8524=2, ~8524=2...(9) HD2 LYS 66 - HD3 ARG 19 poor 8 73 - 11 - 2932/3.0=2, ~2943=1, 3.6/831=1 HD2 LYS 66 - HD2 ARG 19 poor 8 73 - 11 - 2932/3.0=2, ~2943=1, 3.6/831=1 HD3 LYS 94 - HD3 ARG 19 lone 8 84 - 10 - 803/3.6=1, 821/3.0=1, 793/3.6=1 HD3 LYS 94 - HD2 ARG 19 lone 8 84 - 10 - 803/3.6=1, 821/3.0=1, 793/3.6=1 HG3 LYS 90 - HD2 ARG 19 lone 5 100 - 5 - HG3 LYS 90 - HD3 ARG 19 lone 5 100 - 5 - HB2 LEU 103 - HD3 ARG 19 lone 5 100 - 5 - HB2 LEU 103 - HD2 ARG 19 lone 5 100 - 5 - HG LEU 27 - HD2 ARG 19 lone 4 84 - 5 - HG LEU 27 - HD3 ARG 19 lone 4 84 - 5 - HG LEU 103 - HD2 ARG 19 lone 4 100 - 4 - HG LEU 103 - HD3 ARG 19 lone 4 100 - 4 - HG3 LYS 12 - HD2 ARG 19 lone 3 94 - 3 - HG3 LYS 12 - HD3 ARG 19 lone 3 94 - 3 - HG2 LYS 24 - HD2 ARG 19 lone 2 100 - 2 - HG2 LYS 24 - HD3 ARG 19 lone 2 100 - 2 - HB2 ARG 30 - HD2 ARG 19 lone 2 65 - 3 - HB2 ARG 30 - HD3 ARG 19 lone 2 65 - 3 - HG3 LYS 73 - HD3 ARG 19 lone 1 84 - 2 - HG3 LYS 73 - HD2 ARG 19 lone 1 84 - 2 - HB2 ARG 79 - HD2 ARG 19 lone 1 77 - 1 - HB2 ARG 79 - HD3 ARG 19 lone 1 77 - 1 - Peak 831 from cnoeabs.peaks (1.76, 3.18, 43.16 ppm; 3.07 A): 2 out of 12 assignments used, quality = 1.00: HG3 ARG 19 + HD3 ARG 19 OK 100 100 - 100 - 3.0=100 * HG3 ARG 19 + HD2 ARG 19 OK 100 100 - 100 - 3.0=100 HB3 LYS 82 - HD2 ARG 19 OK 22 99 - 22 - 813/3.0=3, 794/3.6=3...(9) HB3 LYS 82 - HD3 ARG 19 OK 22 99 - 22 - 813/3.0=3, 794/3.6=3...(9) HB2 LYS 66 - HD2 ARG 19 OK 18 98 - 18 - 813/3.0=3, 804/3.6=3...(5) HB2 LYS 66 - HD3 ARG 19 OK 18 98 - 18 - 813/3.0=3, 804/3.6=3...(5) HB ILE 56 - HD3 ARG 19 OK 13 100 - 13 - 813/3.0=2, 794/3.6=2...(4) HB ILE 56 - HD2 ARG 19 OK 13 100 - 13 - 813/3.0=2, 794/3.6=2...(4) HB2 GLU 28 - HD3 ARG 19 lone 3 65 - 5 - HB2 GLU 28 - HD2 ARG 19 lone 3 65 - 5 - HB3 GLU 63 - HD3 ARG 19 lone 2 65 - 3 - HB3 GLU 63 - HD2 ARG 19 lone 2 65 - 3 - Peak 832 from cnoeabs.peaks (3.18, 3.18, 43.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 19 + HD3 ARG 19 OK 100 100 - 100 * HD2 ARG 19 + HD2 ARG 19 OK 100 100 - 100 Peak 833 from cnoeabs.peaks (3.18, 3.18, 43.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 19 + HD3 ARG 19 OK 100 100 - 100 HD2 ARG 19 + HD2 ARG 19 OK 100 100 - 100 Reference assignment not found: HD3 ARG 19 - HD2 ARG 19 Peak 834 from cnoeabs.peaks (7.79, 3.18, 43.16 ppm; 5.02 A): 2 out of 12 assignments used, quality = 0.99: * H LYS 20 + HD2 ARG 19 OK 89 100 - 89 - 6305=23, 6303/3.0=19...(17) H LYS 20 + HD3 ARG 19 OK 89 100 - 89 - 6305=23, 6303/3.0=19...(17) H LYS 66 - HD3 ARG 19 OK 30 92 - 33 - 825/3.0=6, 816/3.0=6...(10) H LYS 66 - HD2 ARG 19 OK 30 92 - 33 - 825/3.0=6, 816/3.0=6...(10) H GLU 28 - HD3 ARG 19 OK 26 98 - 27 - 816/3.0=5, 797/3.6=5...(7) H GLU 28 - HD2 ARG 19 OK 26 98 - 27 - 816/3.0=5, 797/3.6=5...(7) H GLU 99 - HD3 ARG 19 OK 25 100 - 25 - 7601/5.4=5, 816/3.0=5...(7) H GLU 99 - HD2 ARG 19 OK 25 100 - 25 - 7601/5.4=5, 816/3.0=5...(7) HE ARG 30 - HD2 ARG 19 OK 15 100 - 15 - 816/3.0=3, 807/3.6=3...(6) HE ARG 30 - HD3 ARG 19 OK 15 100 - 15 - 816/3.0=3, 807/3.6=3...(6) H SER 9 - HD3 ARG 19 OK 10 61 - 17 - 4.1/8521=3, 797/3.6=3...(7) H SER 9 - HD2 ARG 19 OK 10 61 - 17 - 4.1/8521=3, 797/3.6=3...(7) Peak 835 from cnoeabs.peaks (8.90, 3.18, 43.16 ppm; 4.44 A): 2 out of 6 assignments used, quality = 1.00: H ARG 19 + HD2 ARG 19 OK 93 100 - 93 - 6.3=35, 789/3.6=24...(21) * H ARG 19 + HD3 ARG 19 OK 93 100 - 93 - 6.3=35, 789/3.6=24...(21) H ASP 77 - HD2 ARG 19 OK 30 90 - 33 - 817/3.0=8, 808/3.0=7...(6) H ASP 77 - HD3 ARG 19 OK 30 90 - 33 - 817/3.0=8, 808/3.0=7...(6) H VAL 5 - HD3 ARG 19 OK 11 65 - 17 - 817/3.0=3, 808/3.0=3...(6) H VAL 5 - HD2 ARG 19 OK 11 65 - 17 - 817/3.0=3, 808/3.0=3...(6) Peak 836 from cnoeabs.peaks (3.81, 3.18, 43.16 ppm; 4.36 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 19 + HD3 ARG 19 OK 95 100 - 95 - 5.4=52, 818/3.0=17...(23) HA ARG 19 + HD2 ARG 19 OK 95 100 - 95 - 5.4=52, 818/3.0=17...(23) HA SER 97 - HD2 ARG 19 OK 44 97 - 45 - 10071/1.8=14...(9) HA SER 97 - HD3 ARG 19 OK 44 97 - 45 - 10071/1.8=14...(9) HA LYS 68 - HD3 ARG 19 OK 36 99 - 36 - 818/3.0=6, 790/3.6=6...(8) HA LYS 68 - HD2 ARG 19 OK 36 99 - 36 - 818/3.0=6, 790/3.6=6...(8) HA ALA 22 - HD2 ARG 19 OK 18 70 - 26 - ~10456=8, 800/3.6=4...(8) HA ALA 22 - HD3 ARG 19 OK 18 70 - 26 - ~10456=8, 800/3.6=4...(8) HB3 SER 102 - HD3 ARG 19 lone 10 100 - 9 - 809/3.0=2, 818/3.0=2...(4) HB3 SER 102 - HD2 ARG 19 lone 10 100 - 9 - 809/3.0=2, 818/3.0=2...(4) Peak 837 from cnoeabs.peaks (1.89, 3.18, 43.16 ppm; 3.24 A): 4 out of 14 assignments used, quality = 1.00: * HB2 ARG 19 + HD3 ARG 19 OK 87 100 - 87 - 3.6=73, 1.8/838=8...(18) HB2 ARG 19 + HD2 ARG 19 OK 87 100 - 87 - 3.6=73, 1.8/838=8...(18) HB2 LYS 20 + HD3 ARG 19 OK 50 100 - 51 - 819/3.0=6, 801/3.6=6...(18) HB2 LYS 20 + HD2 ARG 19 OK 50 100 - 51 - 819/3.0=6, 801/3.6=6...(18) HB VAL 54 - HD3 ARG 19 OK 21 97 - 21 - 810/3.0=3, 819/3.0=3...(9) HB VAL 54 - HD2 ARG 19 OK 21 97 - 21 - 810/3.0=3, 819/3.0=3...(9) HB ILE 8 - HD2 ARG 19 OK 19 100 - 19 - 819/3.0=4, 810/3.0=3...(7) HB ILE 8 - HD3 ARG 19 OK 19 100 - 19 - 819/3.0=4, 810/3.0=3...(7) HB3 LEU 14 - HD3 ARG 19 lone 5 92 - 5 - HB3 LEU 14 - HD2 ARG 19 lone 5 92 - 5 - HG LEU 42 - HD3 ARG 19 lone 4 99 - 4 - HG LEU 42 - HD2 ARG 19 lone 4 99 - 4 - HB2 GLU 43 - HD2 ARG 19 lone 3 81 - 3 - HB2 GLU 43 - HD3 ARG 19 lone 3 81 - 3 - Peak 838 from cnoeabs.peaks (1.93, 3.18, 43.16 ppm; 3.30 A): 4 out of 24 assignments used, quality = 1.00: * HB3 ARG 19 + HD3 ARG 19 OK 90 100 - 90 - 3.6=78, 1.8/828=8...(18) HB3 ARG 19 + HD2 ARG 19 OK 90 100 - 90 - 3.6=78, 1.8/828=8...(18) HB3 LYS 20 + HD3 ARG 19 OK 51 99 - 52 - 792/3.6=7, 820/3.0=7...(18) HB3 LYS 20 + HD2 ARG 19 OK 51 99 - 52 - 792/3.6=7, 820/3.0=7...(18) HB2 GLU 17 - HD2 ARG 19 OK 18 87 - 20 - 12027/3.0=4, 820/3.0=3...(9) HB2 GLU 17 - HD3 ARG 19 OK 18 87 - 20 - 12027/3.0=4, 820/3.0=3...(9) HB2 LYS 94 - HD3 ARG 19 OK 11 97 - 11 - 811/3.0=2, 820/3.0=2, 792/3.6=1 HB2 LYS 94 - HD2 ARG 19 OK 11 97 - 11 - 811/3.0=2, 820/3.0=2, 792/3.6=1 HB VAL 32 - HD2 ARG 19 lone 5 90 - 6 - ~8945=1 HB VAL 32 - HD3 ARG 19 lone 5 90 - 6 - ~8945=1 HG3 GLU 88 - HD3 ARG 19 lone 3 81 - 4 - HG3 GLU 88 - HD2 ARG 19 lone 3 81 - 4 - HB3 LYS 47 - HD2 ARG 19 lone 3 99 - 3 - HB3 LYS 47 - HD3 ARG 19 lone 3 99 - 3 - HB2 MET 1 - HD3 ARG 19 lone 2 87 - 3 - HB2 MET 1 - HD2 ARG 19 lone 2 87 - 3 - HB2 LYS 13 - HD3 ARG 19 lone 2 84 - 2 - HB2 LYS 13 - HD2 ARG 19 lone 2 84 - 2 - HB3 LYS 13 - HD2 ARG 19 lone 2 77 - 2 - HB3 LYS 13 - HD3 ARG 19 lone 2 77 - 2 - HB2 LYS 33 - HD2 ARG 19 lone 1 87 - 2 - HB2 LYS 33 - HD3 ARG 19 lone 1 87 - 2 - HB3 LYS 33 - HD2 ARG 19 lone 1 81 - 1 - HB3 LYS 33 - HD3 ARG 19 lone 1 81 - 1 - Peak 839 from cnoeabs.peaks (1.58, 3.18, 43.16 ppm; 3.09 A): 2 out of 28 assignments used, quality = 1.00: HG2 ARG 19 + HD2 ARG 19 OK 100 100 - 100 - 3.0=100 * HG2 ARG 19 + HD3 ARG 19 OK 100 100 - 100 - 3.0=100 HB3 LEU 29 - HD2 ARG 19 OK 40 90 - 45 - 3.1/8686=6, 821/3.0=5...(19) HB3 LEU 29 - HD3 ARG 19 OK 40 90 - 45 - 3.1/8686=6, 821/3.0=5...(19) HD3 LYS 82 - HD2 ARG 19 OK 11 61 - 18 - 2.9/8524=2, ~8524=2...(9) HD3 LYS 82 - HD3 ARG 19 OK 11 61 - 18 - 2.9/8524=2, ~8524=2...(9) HD2 LYS 66 - HD3 ARG 19 poor 8 73 - 11 - 2932/3.0=2, ~2943=1, 3.6/831=1 HD2 LYS 66 - HD2 ARG 19 poor 8 73 - 11 - 2932/3.0=2, ~2943=1, 3.6/831=1 HD3 LYS 94 - HD3 ARG 19 lone 8 84 - 10 - 803/3.6=1, 821/3.0=1, 793/3.6=1 HD3 LYS 94 - HD2 ARG 19 lone 8 84 - 10 - 803/3.6=1, 821/3.0=1, 793/3.6=1 HG3 LYS 90 - HD2 ARG 19 lone 5 100 - 5 - HG3 LYS 90 - HD3 ARG 19 lone 5 100 - 5 - HB2 LEU 103 - HD3 ARG 19 lone 5 100 - 5 - HB2 LEU 103 - HD2 ARG 19 lone 5 100 - 5 - HG LEU 27 - HD2 ARG 19 lone 4 84 - 5 - HG LEU 27 - HD3 ARG 19 lone 4 84 - 5 - HG LEU 103 - HD2 ARG 19 lone 4 100 - 4 - HG LEU 103 - HD3 ARG 19 lone 4 100 - 4 - HG3 LYS 12 - HD2 ARG 19 lone 3 94 - 3 - HG3 LYS 12 - HD3 ARG 19 lone 3 94 - 3 - HG2 LYS 24 - HD2 ARG 19 lone 2 100 - 2 - HG2 LYS 24 - HD3 ARG 19 lone 2 100 - 2 - HB2 ARG 30 - HD2 ARG 19 lone 2 65 - 3 - HB2 ARG 30 - HD3 ARG 19 lone 2 65 - 3 - HG3 LYS 73 - HD3 ARG 19 lone 1 84 - 2 - HG3 LYS 73 - HD2 ARG 19 lone 1 84 - 2 - HB2 ARG 79 - HD2 ARG 19 lone 1 77 - 1 - HB2 ARG 79 - HD3 ARG 19 lone 1 77 - 1 - Peak 840 from cnoeabs.peaks (1.76, 3.18, 43.16 ppm; 3.07 A): 2 out of 12 assignments used, quality = 1.00: * HG3 ARG 19 + HD3 ARG 19 OK 100 100 - 100 - 3.0=100 HG3 ARG 19 + HD2 ARG 19 OK 100 100 - 100 - 3.0=100 HB3 LYS 82 - HD2 ARG 19 OK 22 99 - 22 - 813/3.0=3, 794/3.6=3...(9) HB3 LYS 82 - HD3 ARG 19 OK 22 99 - 22 - 813/3.0=3, 794/3.6=3...(9) HB2 LYS 66 - HD2 ARG 19 OK 18 98 - 18 - 813/3.0=3, 804/3.6=3...(5) HB2 LYS 66 - HD3 ARG 19 OK 18 98 - 18 - 813/3.0=3, 804/3.6=3...(5) HB ILE 56 - HD3 ARG 19 OK 13 100 - 13 - 813/3.0=2, 794/3.6=2...(4) HB ILE 56 - HD2 ARG 19 OK 13 100 - 13 - 813/3.0=2, 794/3.6=2...(4) HB2 GLU 28 - HD3 ARG 19 lone 3 65 - 5 - HB2 GLU 28 - HD2 ARG 19 lone 3 65 - 5 - HB3 GLU 63 - HD3 ARG 19 lone 2 65 - 3 - HB3 GLU 63 - HD2 ARG 19 lone 2 65 - 3 - Peak 841 from cnoeabs.peaks (3.18, 3.18, 43.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 19 + HD3 ARG 19 OK 100 100 - 100 HD2 ARG 19 + HD2 ARG 19 OK 100 100 - 100 Reference assignment not found: HD2 ARG 19 - HD3 ARG 19 Peak 842 from cnoeabs.peaks (3.18, 3.18, 43.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 19 + HD3 ARG 19 OK 100 100 - 100 HD2 ARG 19 + HD2 ARG 19 OK 100 100 - 100 Peak 843 from cnoeabs.peaks (7.79, 3.18, 43.16 ppm; 5.02 A): 2 out of 12 assignments used, quality = 0.99: H LYS 20 + HD2 ARG 19 OK 89 100 - 89 - 6305=23, 6303/3.0=19...(17) * H LYS 20 + HD3 ARG 19 OK 89 100 - 89 - 6305=23, 6303/3.0=19...(17) H LYS 66 - HD3 ARG 19 OK 30 92 - 33 - 825/3.0=6, 816/3.0=6...(10) H LYS 66 - HD2 ARG 19 OK 30 92 - 33 - 825/3.0=6, 816/3.0=6...(10) H GLU 28 - HD3 ARG 19 OK 26 98 - 27 - 816/3.0=5, 797/3.6=5...(7) H GLU 28 - HD2 ARG 19 OK 26 98 - 27 - 816/3.0=5, 797/3.6=5...(7) H GLU 99 - HD3 ARG 19 OK 25 100 - 25 - 7601/5.4=5, 816/3.0=5...(7) H GLU 99 - HD2 ARG 19 OK 25 100 - 25 - 7601/5.4=5, 816/3.0=5...(7) HE ARG 30 - HD2 ARG 19 OK 15 100 - 15 - 816/3.0=3, 807/3.6=3...(6) HE ARG 30 - HD3 ARG 19 OK 15 100 - 15 - 816/3.0=3, 807/3.6=3...(6) H SER 9 - HD3 ARG 19 OK 10 61 - 17 - 4.1/8521=3, 797/3.6=3...(7) H SER 9 - HD2 ARG 19 OK 10 61 - 17 - 4.1/8521=3, 797/3.6=3...(7) Peak 844 from cnoeabs.peaks (7.79, 4.05, 59.30 ppm; 3.31 A): 1 out of 12 assignments used, quality = 1.00: * H LYS 20 + HA LYS 20 OK 100 100 - 100 - 2.9=100 H LYS 20 - HA GLU 16 OK 21 60 - 35 - 6294=7, 4.6/6278=3...(16) H GLU 28 - HA LYS 20 OK 17 98 - 18 - 871/3.0=3, 6322/3.6=3...(5) H GLU 99 - HA LYS 20 OK 14 100 - 14 - 871/3.0=2, 6322/3.6=2...(5) H LYS 66 - HA LYS 20 OK 13 92 - 14 - 871/3.0=2, 859/3.0=2...(5) HE ARG 30 - HA LYS 20 OK 11 100 - 11 - 871/3.0=2, 6322/3.6=2...(5) H SER 9 - HA LYS 20 lone 6 61 - 10 - 4.4/846=1, 4.0/12230=1...(4) H GLU 28 - HA GLU 16 lone 2 57 - 3 - H GLU 99 - HA GLU 16 lone 2 60 - 3 - H LYS 66 - HA GLU 16 lone 1 50 - 3 - HE ARG 30 - HA GLU 16 lone 1 59 - 2 - H SER 9 - HA GLU 16 lone 1 30 - 3 - 4.0/12230=1 Peak 845 from cnoeabs.peaks (4.05, 4.05, 59.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 20 + HA LYS 20 OK 100 100 - 100 HA GLU 16 + HA GLU 16 OK 55 55 - 100 Peak 846 from cnoeabs.peaks (1.89, 4.05, 59.30 ppm; 3.08 A): 2 out of 18 assignments used, quality = 1.00: * HB2 LYS 20 + HA LYS 20 OK 100 100 - 100 - 3.0=100 HB2 ARG 19 + HA LYS 20 OK 68 100 - 68 - 1.8/798=10, 6300/2.9=10...(28) HB ILE 8 - HA LYS 20 OK 23 98 - 23 - 873/3.0=2, 6300/2.9=2...(9) HB2 LYS 20 - HA GLU 16 OK 17 60 - 28 - 1.8/872=4, 860=4...(7) HB VAL 54 - HA LYS 20 OK 15 99 - 15 - 6300/2.9=2, ~8528=2...(7) HB2 ARG 19 - HA GLU 16 OK 14 59 - 24 - 1.8/798=5, 788=4...(8) HG LEU 42 - HA LYS 20 lone 8 97 - 8 - 6324/3.6=1 HB3 LYS 68 - HA LYS 20 lone 6 65 - 10 - 3.0/11086=1, ~6299=1 HB3 LEU 14 - HA LYS 20 lone 5 84 - 6 - HB3 LEU 14 - HA GLU 16 poor 5 44 - 11 - 8475/3.0=3, ~8474=3...(4) HB2 GLU 43 - HA GLU 16 lone 3 35 - 8 - 8475/3.0=1 HB ILE 8 - HA GLU 16 lone 3 57 - 5 - HB2 GLU 43 - HA LYS 20 lone 2 70 - 3 - HB VAL 54 - HA GLU 16 lone 2 59 - 4 - HB3 GLU 104 - HA LYS 20 lone 2 61 - 2 - HG LEU 42 - HA GLU 16 lone 2 55 - 3 - HB3 GLU 104 - HA GLU 16 lone 0 30 - 1 - HB3 LYS 68 - HA GLU 16 lone 0 32 - 1 - Peak 847 from cnoeabs.peaks (1.93, 4.05, 59.30 ppm; 3.10 A): 3 out of 22 assignments used, quality = 1.00: * HB3 LYS 20 + HA LYS 20 OK 100 100 - 100 - 3.0=100 HB3 ARG 19 + HA LYS 20 OK 68 99 - 69 - 798=12, 6301/2.9=9...(28) HB2 GLU 17 + HA LYS 20 OK 48 97 - 50 - 737=7, 1.8/745=6...(21) HB3 LYS 20 - HA GLU 16 OK 19 60 - 32 - 872=6, 1.8/860=4...(9) HB2 GLU 17 - HA GLU 16 OK 17 55 - 31 - 6255/3.6=8, 737=5...(9) HB3 ARG 19 - HA GLU 16 OK 15 58 - 27 - 798=6, 1.8/788=4...(9) HB2 LYS 94 - HA LYS 20 OK 12 87 - 14 - 4.0/855=2, 6301/2.9=1...(4) HG3 GLU 88 - HA LYS 20 poor 10 94 - 10 - 1.8/857=2, 6325/3.6=1...(4) HB2 MET 1 - HA LYS 20 lone 10 97 - 10 - 6325/3.6=1 HB3 LYS 47 - HA LYS 20 lone 9 92 - 10 - 896/3.7=1, 862/3.0=1, 885/3.7=1 HB VAL 32 - HA LYS 20 lone 9 98 - 9 - 10153/2.9=1, 862/3.0=1 HB2 LYS 13 - HA GLU 16 poor 4 32 - 12 - ~492=3, ~6226=2, ~493=1...(5) HB2 MET 1 - HA GLU 16 lone 4 55 - 6 - 6255/3.6=3 HG3 GLU 88 - HA GLU 16 lone 4 52 - 7 - 4.9/6372=1 HB3 LYS 47 - HA GLU 16 lone 2 50 - 4 - HB VAL 32 - HA GLU 16 lone 1 57 - 3 - HB2 LYS 94 - HA GLU 16 lone 1 46 - 3 - HB2 LYS 13 - HA LYS 20 lone 1 65 - 1 - HB2 LYS 33 - HA LYS 20 lone 1 70 - 1 - HB3 LYS 33 - HA LYS 20 lone 1 61 - 1 - HB2 LYS 33 - HA GLU 16 lone 0 35 - 1 - HB3 LYS 33 - HA GLU 16 lone 0 30 - 1 - Peak 848 from cnoeabs.peaks (1.46, 4.05, 59.30 ppm; 3.32 A): 1 out of 28 assignments used, quality = 0.92: * HG2 LYS 20 + HA LYS 20 OK 92 100 - 92 - 3.7=74, 882/2.9=8...(30) HG2 LYS 53 - HA LYS 20 OK 21 98 - 22 - 883=4, 884/3.0=3...(8) HG3 LYS 53 - HA LYS 20 OK 20 90 - 23 - 1.8/883=3, 863/3.0=2...(12) HD2 LYS 53 - HA LYS 20 OK 18 100 - 18 - 3.0/883=2, 2440/3.7=2...(7) HG13 ILE 52 - HA LYS 20 OK 18 100 - 18 - 2.1/9171=3, 3.2/9164=2...(7) HG3 ARG 91 - HA LYS 20 OK 18 99 - 19 - 1.8/10992=3, 863/3.0=2...(6) HB2 LEU 27 - HA LYS 20 OK 17 100 - 17 - 1195/2.9=3, ~1203=2...(6) HG2 LYS 20 - HA GLU 16 OK 16 60 - 27 - 883=5, 1.8/894=4...(9) HG LEU 38 - HA LYS 20 OK 11 100 - 11 - 863/3.0=1, 875/3.0=1, 897/3.7=1 HB2 LEU 38 - HA LYS 20 OK 11 100 - 11 - 863/3.0=1, 1.8/856=1...(5) HD2 LYS 40 - HA LYS 20 poor 10 97 - 10 - 863/3.0=1, 897/3.7=1, 875/3.0=1 HD3 LYS 40 - HA LYS 20 poor 10 96 - 10 - 863/3.0=1, 897/3.7=1, 875/3.0=1 HB2 LEU 38 - HA GLU 16 poor 7 60 - 11 - 1629/3.0=2, 12063/3.0=1 HG LEU 38 - HA GLU 16 lone 6 60 - 10 - HD2 LYS 82 - HA LYS 20 lone 4 100 - 4 - HG13 ILE 52 - HA GLU 16 lone 4 60 - 6 - HG3 ARG 91 - HA GLU 16 lone 3 58 - 5 - HG2 LYS 12 - HA LYS 20 lone 3 87 - 3 - HG3 LYS 39 - HA LYS 20 lone 2 73 - 2 - HG2 LYS 12 - HA GLU 16 lone 1 46 - 3 - HG2 LYS 53 - HA GLU 16 lone 1 57 - 2 - HB2 LEU 27 - HA GLU 16 lone 1 60 - 2 - HD2 LYS 53 - HA GLU 16 lone 1 60 - 2 - HG3 LYS 53 - HA GLU 16 lone 1 48 - 2 - HD2 LYS 40 - HA GLU 16 lone 1 55 - 2 - HD3 LYS 40 - HA GLU 16 lone 1 54 - 2 - HG3 LYS 39 - HA GLU 16 lone 1 37 - 2 - HD2 LYS 82 - HA GLU 16 lone 1 60 - 1 - Peak 849 from cnoeabs.peaks (1.67, 4.05, 59.30 ppm; 3.31 A): 3 out of 26 assignments used, quality = 1.00: * HG3 LYS 20 + HA LYS 20 OK 92 100 - 92 - 3.7=73, 1.8/883=14...(32) HD3 LYS 20 + HA LYS 20 OK 80 100 - 80 - 5.3=25, 2.8/883=11...(37) HD2 LYS 20 + HA LYS 20 OK 79 100 - 80 - 5.3=25, 2.8/883=11...(37) HD2 LYS 47 - HA LYS 20 OK 18 98 - 19 - 905=2, 1.8/905=1...(4) HD3 LYS 47 - HA LYS 20 OK 18 97 - 19 - 905=2, 1.8/905=2...(4) HG3 LYS 20 - HA GLU 16 OK 16 60 - 27 - 894=5, 1.8/883=4...(10) HB ILE 52 - HA LYS 20 OK 15 99 - 15 - 2.1/9164=2, 3.2/9171=2...(8) HD3 LYS 20 - HA GLU 16 OK 14 60 - 24 - 2.8/894=3, 3.5/860=3...(11) HD2 LYS 20 - HA GLU 16 OK 14 59 - 23 - 2.8/894=3, 3.5/860=3...(11) HB3 LYS 53 - HA LYS 20 OK 13 90 - 15 - 3.0/883=2, 3.0/848=2...(5) HB3 ARG 91 - HA LYS 20 OK 13 96 - 14 - 2.8/10992=3, 2.8/848=2...(5) HG12 ILE 15 - HA GLU 16 OK 11 30 - 38 - ~684=5, ~652=5, ~676=4...(13) HD2 LYS 73 - HA LYS 20 lone 9 97 - 9 - HD3 LYS 73 - HA LYS 20 lone 9 94 - 9 - HB3 LYS 40 - HA LYS 20 lone 6 94 - 7 - HG12 ILE 15 - HA LYS 20 lone 5 61 - 8 - ~8436=2, 4.1/8453=1 HB ILE 52 - HA GLU 16 lone 4 59 - 6 - HD2 LYS 73 - HA GLU 16 lone 3 55 - 5 - HB3 ARG 91 - HA GLU 16 lone 3 54 - 5 - HD3 LYS 73 - HA GLU 16 lone 2 52 - 5 - HD2 LYS 47 - HA GLU 16 lone 2 57 - 3 - HD3 LYS 47 - HA GLU 16 lone 2 55 - 3 - HG2 PRO 86 - HA LYS 20 lone 1 65 - 2 - HB3 LYS 40 - HA GLU 16 lone 1 52 - 2 - HB3 LYS 53 - HA GLU 16 lone 1 48 - 2 - HG2 PRO 86 - HA GLU 16 lone 0 32 - 1 - Peak 850 from cnoeabs.peaks (1.68, 4.05, 59.30 ppm; 3.31 A): 3 out of 32 assignments used, quality = 1.00: HG3 LYS 20 + HA LYS 20 OK 92 100 - 92 - 3.7=73, 1.8/883=14...(32) * HD2 LYS 20 + HA LYS 20 OK 80 100 - 80 - 5.3=25, 2.8/883=11...(37) HD3 LYS 20 + HA LYS 20 OK 79 100 - 80 - 5.3=25, 2.8/883=11...(37) HD3 LYS 47 - HA LYS 20 OK 19 99 - 19 - 905=2, 1.8/905=2...(4) HD2 LYS 47 - HA LYS 20 OK 19 100 - 19 - 905=2, 1.8/905=1...(4) HG3 LYS 20 - HA GLU 16 OK 16 59 - 27 - 894=5, 1.8/883=4...(10) HB ILE 52 - HA LYS 20 OK 14 97 - 15 - 2.1/9164=2, 3.2/9171=2...(8) HB3 LYS 53 - HA LYS 20 OK 14 96 - 15 - 3.0/883=2, 3.0/848=2...(5) HG12 ILE 15 - HA GLU 16 OK 14 37 - 38 - ~684=5, ~652=5, ~676=4...(14) HD2 LYS 20 - HA GLU 16 OK 14 60 - 24 - 2.8/894=3, 3.5/860=3...(11) HD3 LYS 20 - HA GLU 16 OK 14 59 - 24 - 2.8/894=3, 3.5/860=3...(11) HB3 ARG 91 - HA LYS 20 OK 13 99 - 14 - 2.8/10992=3, 2.8/848=2...(5) HD2 LYS 73 - HA LYS 20 lone 8 92 - 9 - HD3 LYS 73 - HA LYS 20 lone 8 87 - 9 - HB3 LYS 40 - HA LYS 20 lone 7 98 - 7 - HG12 ILE 15 - HA LYS 20 lone 6 73 - 8 - ~8436=2, 4.1/8453=1 HB ILE 52 - HA GLU 16 lone 3 55 - 6 - HB3 ARG 91 - HA GLU 16 lone 3 58 - 5 - HD2 LYS 24 - HA LYS 20 lone 2 65 - 4 - 6.3/6372=1 HD2 LYS 73 - HA GLU 16 lone 2 50 - 5 - HD3 LYS 24 - HA LYS 20 lone 2 61 - 4 - 6.3/6372=1 HD2 LYS 47 - HA GLU 16 lone 2 59 - 4 - HD3 LYS 73 - HA GLU 16 lone 2 46 - 5 - HD3 LYS 47 - HA GLU 16 lone 2 59 - 4 - HG2 PRO 86 - HA LYS 20 lone 2 77 - 2 - HD2 LYS 24 - HA GLU 16 lone 1 32 - 5 - 6.3/6372=2 HD3 LYS 90 - HA GLU 16 lone 1 30 - 5 - ~6231=1, 668/3.0=1 HD3 LYS 24 - HA GLU 16 lone 1 30 - 5 - 6.3/6372=2 HB3 LYS 40 - HA GLU 16 lone 1 57 - 2 - HD3 LYS 90 - HA LYS 20 lone 1 61 - 2 - HB3 LYS 53 - HA GLU 16 lone 1 54 - 2 - HG2 PRO 86 - HA GLU 16 lone 0 40 - 1 - Peak 851 from cnoeabs.peaks (1.67, 4.05, 59.30 ppm; 3.31 A): 3 out of 26 assignments used, quality = 1.00: HG3 LYS 20 + HA LYS 20 OK 92 100 - 92 - 3.7=73, 1.8/883=14...(32) * HD3 LYS 20 + HA LYS 20 OK 80 100 - 80 - 5.3=25, 2.8/883=11...(37) HD2 LYS 20 + HA LYS 20 OK 79 100 - 80 - 5.3=25, 2.8/883=11...(37) HD2 LYS 47 - HA LYS 20 OK 18 98 - 19 - 905=2, 1.8/905=1...(4) HD3 LYS 47 - HA LYS 20 OK 18 97 - 19 - 905=2, 1.8/905=2...(4) HG3 LYS 20 - HA GLU 16 OK 16 60 - 27 - 894=5, 1.8/883=4...(10) HB ILE 52 - HA LYS 20 OK 15 99 - 15 - 2.1/9164=2, 3.2/9171=2...(8) HD3 LYS 20 - HA GLU 16 OK 14 60 - 24 - 2.8/894=3, 3.5/860=3...(11) HD2 LYS 20 - HA GLU 16 OK 14 59 - 23 - 2.8/894=3, 3.5/860=3...(11) HB3 LYS 53 - HA LYS 20 OK 13 90 - 15 - 3.0/883=2, 3.0/848=2...(5) HB3 ARG 91 - HA LYS 20 OK 13 96 - 14 - 2.8/10992=3, 2.8/848=2...(5) HG12 ILE 15 - HA GLU 16 OK 11 30 - 38 - ~684=5, ~652=5, ~676=4...(13) HD2 LYS 73 - HA LYS 20 lone 9 97 - 9 - HD3 LYS 73 - HA LYS 20 lone 9 94 - 9 - HB3 LYS 40 - HA LYS 20 lone 6 94 - 7 - HG12 ILE 15 - HA LYS 20 lone 5 61 - 8 - ~8436=2, 4.1/8453=1 HB ILE 52 - HA GLU 16 lone 4 59 - 6 - HD2 LYS 73 - HA GLU 16 lone 3 55 - 5 - HB3 ARG 91 - HA GLU 16 lone 3 54 - 5 - HD3 LYS 73 - HA GLU 16 lone 2 52 - 5 - HD2 LYS 47 - HA GLU 16 lone 2 57 - 3 - HD3 LYS 47 - HA GLU 16 lone 2 55 - 3 - HG2 PRO 86 - HA LYS 20 lone 1 65 - 2 - HB3 LYS 40 - HA GLU 16 lone 1 52 - 2 - HB3 LYS 53 - HA GLU 16 lone 1 48 - 2 - HG2 PRO 86 - HA GLU 16 lone 0 32 - 1 - Peak 852 from cnoeabs.peaks (2.91, 4.05, 59.30 ppm; 4.72 A): 6 out of 18 assignments used, quality = 1.00: * HE2 LYS 20 + HA LYS 20 OK 94 100 - 94 - 6.3=41, 3.6/883=16...(43) HE3 LYS 20 + HA LYS 20 OK 94 100 - 94 - 6.3=41, 3.6/883=16...(43) HE3 LYS 94 + HA LYS 20 OK 50 100 - 50 - 867/3.0=5, 879/3.0=5...(24) HE2 LYS 94 + HA LYS 20 OK 49 96 - 51 - 868/3.0=5, 880/3.0=5...(26) HE3 LYS 68 + HA LYS 20 OK 45 99 - 46 - 867/3.0=4, 879/3.0=4...(21) HE2 LYS 68 + HA LYS 20 OK 45 100 - 45 - 867/3.0=4, 879/3.0=4...(22) HE2 LYS 20 - HA GLU 16 OK 22 60 - 36 - 3.6/894=5, 4.7/860=5...(13) HE3 LYS 20 - HA GLU 16 OK 22 60 - 36 - 3.6/894=5, 4.7/860=5...(13) HE3 LYS 66 - HA LYS 20 OK 20 90 - 22 - ~2930=3, 6313/2.9=3...(10) HE2 LYS 66 - HA LYS 20 OK 15 70 - 22 - ~2930=3, ~2941=3...(8) HE3 LYS 94 - HA GLU 16 lone 3 60 - 6 - HB2 ASN 10 - HA LYS 20 lone 3 73 - 4 - HE2 LYS 68 - HA GLU 16 lone 3 60 - 5 - HE3 LYS 68 - HA GLU 16 lone 3 59 - 5 - HE2 LYS 94 - HA GLU 16 lone 3 54 - 6 - HE3 LYS 66 - HA GLU 16 lone 2 48 - 4 - HE2 LYS 66 - HA GLU 16 lone 1 35 - 4 - HB2 ASN 10 - HA GLU 16 lone 1 37 - 3 - Peak 853 from cnoeabs.peaks (2.91, 4.05, 59.30 ppm; 4.72 A): 6 out of 18 assignments used, quality = 1.00: * HE3 LYS 20 + HA LYS 20 OK 94 100 - 94 - 6.3=41, 3.6/883=16...(43) HE2 LYS 20 + HA LYS 20 OK 94 100 - 94 - 6.3=41, 3.6/883=16...(43) HE3 LYS 94 + HA LYS 20 OK 50 100 - 50 - 868/3.0=5, 879/3.0=5...(24) HE2 LYS 94 + HA LYS 20 OK 49 97 - 51 - 868/3.0=5, 880/3.0=5...(26) HE2 LYS 68 + HA LYS 20 OK 45 100 - 45 - 867/3.0=4, 879/3.0=4...(22) HE3 LYS 68 + HA LYS 20 OK 45 99 - 46 - 867/3.0=4, 879/3.0=4...(21) HE3 LYS 20 - HA GLU 16 OK 22 60 - 36 - 3.6/894=5, 4.7/860=5...(13) HE2 LYS 20 - HA GLU 16 OK 22 60 - 36 - 3.6/894=5, 4.7/860=5...(13) HE3 LYS 66 - HA LYS 20 OK 19 87 - 22 - ~2930=3, 6313/2.9=3...(10) HE2 LYS 66 - HA LYS 20 OK 15 65 - 22 - ~2930=3, ~2941=3...(8) HE3 LYS 94 - HA GLU 16 lone 3 60 - 6 - HB2 ASN 10 - HA LYS 20 lone 3 77 - 4 - HE2 LYS 94 - HA GLU 16 lone 3 55 - 6 - HE2 LYS 68 - HA GLU 16 lone 3 59 - 5 - HE3 LYS 68 - HA GLU 16 lone 3 58 - 5 - HE3 LYS 66 - HA GLU 16 lone 2 46 - 4 - HB2 ASN 10 - HA GLU 16 lone 1 40 - 3 - HE2 LYS 66 - HA GLU 16 lone 1 32 - 4 - Peak 854 from cnoeabs.peaks (7.68, 4.05, 59.30 ppm; 3.93 A): 1 out of 6 assignments used, quality = 1.00: * H MET 21 + HA LYS 20 OK 100 100 - 100 - 3.6=100 H SER 85 - HA LYS 20 OK 32 99 - 32 - 6315/2.9=7, 881/3.0=6...(8) HD22 ASN 51 - HA LYS 20 OK 26 100 - 26 - 6315/2.9=5, 881/3.0=5...(9) H MET 21 - HA GLU 16 OK 15 60 - 26 - 6323=6, 4.5/6294=4...(7) HD22 ASN 51 - HA GLU 16 lone 4 60 - 6 - 9123/4.1=2 H SER 85 - HA GLU 16 lone 3 59 - 6 - Peak 855 from cnoeabs.peaks (8.28, 4.05, 59.30 ppm; 4.05 A): 3 out of 10 assignments used, quality = 0.74: * H GLU 23 + HA LYS 20 OK 54 100 - 54 - 6358=17, 6359/3.6=16...(8) H GLU 23 + HA GLU 16 OK 35 60 - 59 - 6358=16, 4.0/1027=11...(15) H LYS 94 + HA LYS 20 OK 15 87 - 17 - 6339/3.6=6, 7513/3.0=2...(4) H LEU 103 - HA LYS 20 lone 5 90 - 5 - 6339/3.6=2 H PHE 45 - HA GLU 16 poor 4 37 - 11 - 6734/3.0=3, ~2038=3...(4) H LYS 94 - HA GLU 16 lone 3 46 - 7 - H ALA 71 - HA LYS 20 lone 3 73 - 4 - 6339/3.6=2 H PHE 45 - HA LYS 20 lone 3 73 - 4 - 6339/3.6=1 H LEU 103 - HA GLU 16 lone 2 48 - 5 - 7644/3.6=1 H ALA 71 - HA GLU 16 lone 2 37 - 5 - ~6225=1, 6734/3.0=1 Peak 856 from cnoeabs.peaks (2.09, 4.05, 59.30 ppm; 3.09 A): 5 out of 18 assignments used, quality = 0.84: HB2 GLU 16 + HA GLU 16 OK 48 48 - 100 - 3.0=100 HB2 GLU 23 + HA GLU 16 OK 33 60 - 55 - 1019=16, 1.8/1027=13...(20) * HB2 GLU 23 + HA LYS 20 OK 32 100 - 32 - 1019=10, 1.8/1027=7...(6) HB2 GLU 16 + HA LYS 20 OK 24 90 - 27 - 697=4, 1.8/857=4...(10) HB3 GLU 88 + HA LYS 20 OK 10 94 - 11 - 10299/3.6=2, 3.9/6372=2...(4) QE MET 21 - HA LYS 20 lone 9 87 - 10 - 6337/3.6=7, 1000/6344=1 HB3 GLU 35 - HA GLU 16 poor 7 57 - 13 - 1019=3, 6250/3.6=2...(4) HB3 LEU 38 - HA LYS 20 lone 6 81 - 8 - 1.8/848=1 HB3 GLU 35 - HA LYS 20 lone 5 98 - 5 - 1019=1 HB3 LEU 38 - HA GLU 16 poor 4 42 - 10 - 6237/3.0=1 HB3 GLU 88 - HA GLU 16 lone 4 52 - 8 - 3.9/6372=2 HG3 GLU 104 - HA LYS 20 lone 3 90 - 4 - 6337/3.6=1 HB3 GLU 62 - HA GLU 16 lone 3 60 - 5 - HB3 PRO 86 - HA LYS 20 lone 2 65 - 4 - 6337/3.6=2 HB3 GLU 62 - HA LYS 20 lone 2 100 - 2 - QE MET 21 - HA GLU 16 lone 2 46 - 3 - HG3 GLU 104 - HA GLU 16 lone 1 48 - 2 - HB3 PRO 86 - HA GLU 16 lone 0 32 - 1 - Peak 857 from cnoeabs.peaks (2.15, 4.05, 59.30 ppm; 2.96 A): 4 out of 18 assignments used, quality = 0.77: HB3 GLU 16 + HA GLU 16 OK 45 46 - 98 - 3.0=96, 6238/3.0=10...(18) HB3 GLU 23 + HA GLU 16 OK 30 60 - 50 - 1027=16, 1.8/1019=11...(17) * HB3 GLU 23 + HA LYS 20 OK 26 100 - 26 - 1027=9, 1.8/1019=7...(5) HB3 GLU 16 + HA LYS 20 OK 18 87 - 21 - 1.8/856=4, 705=3...(7) HG2 GLU 88 - HA LYS 20 lone 7 87 - 8 - 10301/3.6=1, 3.0/856=1 HB2 GLN 72 - HA GLU 16 poor 7 50 - 13 - 6251/3.6=3, 6238/3.0=1 HB3 GLU 95 - HA GLU 16 poor 6 58 - 11 - 1027=2, 699/3.0=1 HB3 GLU 95 - HA LYS 20 lone 2 99 - 3 - HG2 GLU 104 - HA LYS 20 lone 2 98 - 2 - HG2 GLU 88 - HA GLU 16 lone 2 46 - 5 - HB2 GLN 72 - HA LYS 20 lone 2 92 - 2 - HG2 GLU 104 - HA GLU 16 lone 1 57 - 2 - HG2 GLU 75 - HA GLU 16 lone 1 30 - 3 - HB2 GLU 75 - HA GLU 16 lone 1 32 - 2 - HG2 GLU 44 - HA GLU 16 lone 1 30 - 2 - HG2 GLU 44 - HA LYS 20 lone 0 61 - 1 - HB2 GLU 75 - HA LYS 20 lone 0 65 - 0 - HG2 GLU 75 - HA LYS 20 lone 0 61 - 0 - Peak 858 from cnoeabs.peaks (4.05, 1.89, 32.22 ppm; 3.91 A): 2 out of 5 assignments used, quality = 1.00: HA LYS 20 + HB2 LYS 20 OK 100 100 - 100 - 3.0=100 * HA GLU 17 + HB2 LYS 20 OK 66 100 - 66 - 732/4.0=14, 733=14...(25) HA GLU 16 - HB2 LYS 20 OK 40 96 - 42 - 872/1.8=6, 693=5...(17) HB2 SER 49 - HB2 LYS 20 OK 23 99 - 23 - 894/3.0=3, 870/1.8=3...(13) HB3 SER 59 - HB2 LYS 20 lone 6 73 - 8 - Peak 859 from cnoeabs.peaks (7.79, 1.89, 32.22 ppm; 4.03 A): 1 out of 6 assignments used, quality = 0.99: * H LYS 20 + HB2 LYS 20 OK 99 100 - 99 - 4.0=99 H GLU 28 - HB2 LYS 20 OK 25 98 - 26 - 871/1.8=5, 893/3.0=4...(7) H LYS 66 - HB2 LYS 20 OK 20 92 - 21 - 871/1.8=4, 893/3.0=3...(7) H GLU 99 - HB2 LYS 20 OK 20 100 - 19 - 871/1.8=4, 893/3.0=3...(7) HE ARG 30 - HB2 LYS 20 OK 15 100 - 15 - 871/1.8=3, 893/3.0=3...(5) H SER 9 - HB2 LYS 20 OK 10 61 - 17 - 4.1/299=2, 3.6/283=2...(7) Peak 860 from cnoeabs.peaks (4.05, 1.89, 32.22 ppm; 3.91 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 20 + HB2 LYS 20 OK 100 100 - 100 - 3.0=100 HA GLU 17 + HB2 LYS 20 OK 66 100 - 66 - 732/4.0=14, 733=14...(25) HA GLU 16 - HB2 LYS 20 OK 40 97 - 42 - 872/1.8=6, 693=5...(17) HB2 SER 49 - HB2 LYS 20 OK 23 98 - 23 - 894/3.0=3, 870/1.8=3...(13) HB3 SER 59 - HB2 LYS 20 lone 7 77 - 8 - Peak 861 from cnoeabs.peaks (1.89, 1.89, 32.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 20 + HB2 LYS 20 OK 100 100 - 100 Peak 862 from cnoeabs.peaks (1.93, 1.89, 32.22 ppm; 2.40 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LYS 20 + HB2 LYS 20 OK 100 100 - 100 - 1.8=100 HB3 ARG 19 + HB2 LYS 20 OK 48 99 - 49 - 801=11, 798/3.0=4...(24) HB2 GLU 17 - HB2 LYS 20 OK 23 97 - 24 - 2.9/733=4, 737/3.0=3...(11) HB2 LYS 94 - HB2 LYS 20 lone 7 87 - 9 - HB VAL 32 - HB2 LYS 20 lone 7 98 - 7 - HB3 LYS 47 - HB2 LYS 20 lone 7 92 - 7 - HB2 MET 1 - HB2 LYS 20 lone 5 97 - 5 - HG3 GLU 88 - HB2 LYS 20 lone 3 94 - 4 - HB2 LYS 13 - HB2 LYS 20 lone 0 65 - 1 - HB2 LYS 33 - HB2 LYS 20 lone 0 70 - 1 - HB3 LYS 33 - HB2 LYS 20 lone 0 61 - 1 - Peak 863 from cnoeabs.peaks (1.46, 1.89, 32.22 ppm; 3.31 A): 1 out of 14 assignments used, quality = 1.00: * HG2 LYS 20 + HB2 LYS 20 OK 100 100 - 100 - 3.0=100 HG2 LYS 53 - HB2 LYS 20 OK 30 98 - 31 - 884=5, 885/1.8=3...(9) HG3 LYS 53 - HB2 LYS 20 OK 28 90 - 31 - 1.8/884=4, 875/1.8=3...(11) HD2 LYS 53 - HB2 LYS 20 OK 27 100 - 27 - 875/1.8=3, 2440/3.0=3...(11) HG3 ARG 91 - HB2 LYS 20 OK 25 99 - 25 - ~10992=4, 875/1.8=3...(8) HG13 ILE 52 - HB2 LYS 20 OK 22 100 - 22 - 875/1.8=2, 897/3.0=2...(10) HD2 LYS 40 - HB2 LYS 20 OK 17 97 - 17 - 875/1.8=2, 897/3.0=2, ~875=1 HD3 LYS 40 - HB2 LYS 20 OK 16 96 - 17 - 875/1.8=2, 897/3.0=2, ~875=1 HG LEU 38 - HB2 LYS 20 OK 16 100 - 16 - 2.1/12068=2, 875/1.8=2...(5) HB2 LEU 38 - HB2 LYS 20 OK 16 100 - 16 - 875/1.8=2, 3.1/12068=1...(4) HB2 LEU 27 - HB2 LYS 20 OK 11 100 - 11 - 1195/4.0=2, 4.4/859=2...(5) HD2 LYS 82 - HB2 LYS 20 lone 4 100 - 4 - HG2 LYS 12 - HB2 LYS 20 lone 2 87 - 3 - HG3 LYS 39 - HB2 LYS 20 lone 2 73 - 2 - Peak 864 from cnoeabs.peaks (1.67, 1.89, 32.22 ppm; 3.02 A): 3 out of 13 assignments used, quality = 1.00: * HG3 LYS 20 + HB2 LYS 20 OK 100 100 - 100 - 3.0=100 HD3 LYS 20 + HB2 LYS 20 OK 87 100 - 87 - 3.5=62, 878/1.8=8...(36) HD2 LYS 20 + HB2 LYS 20 OK 87 100 - 87 - 3.5=62, 876/1.8=8...(37) HD2 LYS 47 - HB2 LYS 20 OK 19 98 - 19 - 906=2, 878/1.8=2, 1.8/906=2 HD3 LYS 47 - HB2 LYS 20 OK 19 97 - 19 - 906=2, 877/1.8=2, 1.8/906=2 HB3 LYS 53 - HB2 LYS 20 OK 18 90 - 20 - 3.0/884=2, 3.0/863=2...(7) HB3 ARG 91 - HB2 LYS 20 OK 16 96 - 17 - ~10992=3, 906=2...(4) HB ILE 52 - HB2 LYS 20 OK 15 99 - 15 - 3.0/863=2, 878/1.8=1...(4) HB3 LYS 40 - HB2 LYS 20 OK 11 94 - 12 - HD2 LYS 73 - HB2 LYS 20 lone 7 97 - 7 - HD3 LYS 73 - HB2 LYS 20 lone 7 94 - 7 - HG12 ILE 15 - HB2 LYS 20 lone 3 61 - 4 - HG2 PRO 86 - HB2 LYS 20 lone 1 65 - 2 - Peak 865 from cnoeabs.peaks (1.68, 1.89, 32.22 ppm; 3.02 A): 3 out of 16 assignments used, quality = 1.00: HG3 LYS 20 + HB2 LYS 20 OK 100 100 - 100 - 3.0=100 * HD2 LYS 20 + HB2 LYS 20 OK 87 100 - 87 - 3.5=62, 876/1.8=8...(37) HD3 LYS 20 + HB2 LYS 20 OK 87 100 - 87 - 3.5=62, 876/1.8=8...(36) HD2 LYS 47 - HB2 LYS 20 OK 19 100 - 19 - 906=2, 877/1.8=2, 1.8/906=2 HD3 LYS 47 - HB2 LYS 20 OK 19 99 - 19 - 906=2, 877/1.8=2, 1.8/906=2 HB3 LYS 53 - HB2 LYS 20 OK 19 96 - 20 - 3.0/884=2, 3.0/863=2...(7) HB3 ARG 91 - HB2 LYS 20 OK 17 99 - 17 - ~10992=3, 906=2...(4) HB ILE 52 - HB2 LYS 20 OK 14 97 - 14 - 3.0/863=2, 878/1.8=1...(4) HB3 LYS 40 - HB2 LYS 20 OK 12 98 - 12 - HD2 LYS 73 - HB2 LYS 20 lone 7 92 - 7 - HD3 LYS 73 - HB2 LYS 20 lone 6 87 - 7 - HG12 ILE 15 - HB2 LYS 20 lone 3 73 - 4 - HG2 PRO 86 - HB2 LYS 20 lone 1 77 - 2 - HD3 LYS 90 - HB2 LYS 20 lone 1 61 - 1 - HD2 LYS 24 - HB2 LYS 20 lone 1 65 - 1 - HD3 LYS 24 - HB2 LYS 20 lone 1 61 - 1 - Peak 866 from cnoeabs.peaks (1.67, 1.89, 32.22 ppm; 3.02 A): 3 out of 13 assignments used, quality = 1.00: HG3 LYS 20 + HB2 LYS 20 OK 100 100 - 100 - 3.0=100 * HD3 LYS 20 + HB2 LYS 20 OK 87 100 - 87 - 3.5=62, 878/1.8=8...(36) HD2 LYS 20 + HB2 LYS 20 OK 87 100 - 87 - 3.5=62, 876/1.8=8...(37) HD2 LYS 47 - HB2 LYS 20 OK 19 98 - 19 - 906=2, 878/1.8=2, 1.8/906=2 HD3 LYS 47 - HB2 LYS 20 OK 19 97 - 19 - 906=2, 877/1.8=2, 1.8/906=2 HB3 LYS 53 - HB2 LYS 20 OK 18 90 - 20 - 3.0/884=2, 3.0/863=2...(7) HB3 ARG 91 - HB2 LYS 20 OK 16 96 - 17 - ~10992=3, 906=2...(4) HB ILE 52 - HB2 LYS 20 OK 15 99 - 15 - 3.0/863=2, 878/1.8=1...(4) HB3 LYS 40 - HB2 LYS 20 OK 11 94 - 12 - HD2 LYS 73 - HB2 LYS 20 lone 7 97 - 7 - HD3 LYS 73 - HB2 LYS 20 lone 7 94 - 7 - HG12 ILE 15 - HB2 LYS 20 lone 3 61 - 4 - HG2 PRO 86 - HB2 LYS 20 lone 1 65 - 2 - Peak 867 from cnoeabs.peaks (2.91, 1.89, 32.22 ppm; 4.02 A): 3 out of 9 assignments used, quality = 1.00: * HE2 LYS 20 + HB2 LYS 20 OK 93 100 - 93 - 4.7=61, 880/1.8=9...(48) HE3 LYS 20 + HB2 LYS 20 OK 93 100 - 93 - 4.7=61, 880/1.8=9...(48) HE3 LYS 94 + HB2 LYS 20 OK 45 100 - 45 - 879/1.8=4, 901/3.0=3...(24) HE2 LYS 94 - HB2 LYS 20 OK 44 96 - 46 - 880/1.8=4, 902/3.0=3...(25) HE3 LYS 68 - HB2 LYS 20 OK 41 99 - 41 - 879/1.8=4, 901/3.0=3...(20) HE2 LYS 68 - HB2 LYS 20 OK 40 100 - 40 - 879/1.8=4, 901/3.0=3...(20) HE3 LYS 66 - HB2 LYS 20 poor 10 90 - 11 - 6313/4.0=2, 852/3.0=1 HE2 LYS 66 - HB2 LYS 20 poor 7 70 - 10 - 6313/4.0=1 HB2 ASN 10 - HB2 LYS 20 lone 2 73 - 3 - Peak 868 from cnoeabs.peaks (2.91, 1.89, 32.22 ppm; 4.02 A): 2 out of 9 assignments used, quality = 0.99: HE2 LYS 20 + HB2 LYS 20 OK 93 100 - 93 - 4.7=61, 880/1.8=9...(48) * HE3 LYS 20 + HB2 LYS 20 OK 93 100 - 93 - 4.7=61, 880/1.8=9...(48) HE3 LYS 94 - HB2 LYS 20 OK 45 100 - 45 - 879/1.8=4, 902/3.0=3...(24) HE2 LYS 94 - HB2 LYS 20 OK 45 97 - 46 - 880/1.8=4, 902/3.0=3...(25) HE3 LYS 68 - HB2 LYS 20 OK 40 99 - 41 - 879/1.8=4, 901/3.0=3...(20) HE2 LYS 68 - HB2 LYS 20 OK 40 100 - 40 - 879/1.8=4, 901/3.0=3...(20) HE3 LYS 66 - HB2 LYS 20 poor 9 87 - 11 - 6313/4.0=2, 852/3.0=1 HE2 LYS 66 - HB2 LYS 20 poor 7 65 - 10 - 6313/4.0=1 HB2 ASN 10 - HB2 LYS 20 lone 2 77 - 3 - Peak 869 from cnoeabs.peaks (7.68, 1.89, 32.22 ppm; 4.54 A): 1 out of 3 assignments used, quality = 0.98: * H MET 21 + HB2 LYS 20 OK 98 100 - 98 - 4.6=94, 881/1.8=24...(14) H SER 85 - HB2 LYS 20 OK 39 99 - 39 - 881/1.8=9, 6315/4.0=7...(10) HD22 ASN 51 - HB2 LYS 20 OK 31 100 - 31 - 881/1.8=7, 903/3.0=5...(10) Peak 870 from cnoeabs.peaks (4.05, 1.93, 32.22 ppm; 3.18 A): 2 out of 10 assignments used, quality = 1.00: HA LYS 20 + HB3 LYS 20 OK 100 100 - 100 - 3.0=100 * HA GLU 17 + HB3 LYS 20 OK 54 100 - 54 - 733/1.8=10, 732/4.0=9...(21) HA GLU 16 - HB3 LYS 20 OK 30 96 - 31 - 860/1.8=4, 694=4...(11) HA GLU 17 - HB2 MET 1 OK 18 40 - 47 - 734=7, 728/1.8=6...(22) HB2 SER 49 - HB3 LYS 20 OK 16 99 - 16 - 858/1.8=2, 894/3.0=2...(4) HA LYS 20 - HB2 MET 1 poor 4 40 - 11 - 847=1, 3.6/6325=1 HB3 SER 59 - HB3 LYS 20 lone 4 73 - 5 - HA GLU 16 - HB2 MET 1 lone 2 35 - 7 - 3.6/6255=3 HB2 SER 49 - HB2 MET 1 lone 1 38 - 3 - HB3 SER 59 - HB2 MET 1 lone 1 24 - 2 - Peak 871 from cnoeabs.peaks (7.79, 1.93, 32.22 ppm; 3.35 A): 5 out of 12 assignments used, quality = 0.92: * H LYS 20 + HB3 LYS 20 OK 85 100 - 85 - 4.0=57, 6300/1.8=15...(20) H GLU 28 + HB3 LYS 20 OK 18 98 - 18 - 859/1.8=3, 893/3.0=3...(5) H GLU 99 + HB3 LYS 20 OK 14 100 - 14 - 859/1.8=3, 893/3.0=2...(5) H LYS 66 + HB3 LYS 20 OK 13 92 - 15 - 859/1.8=3, 893/3.0=2...(5) HE ARG 30 + HB3 LYS 20 OK 11 100 - 11 - 859/1.8=2, 893/3.0=2...(5) H SER 9 - HB3 LYS 20 poor 7 61 - 11 - 4.1/12205=3, 4.4/873=2 H LYS 20 - HB2 MET 1 lone 4 40 - 9 - 6308=1 H GLU 99 - HB2 MET 1 lone 1 40 - 1 - HE ARG 30 - HB2 MET 1 lone 1 39 - 1 - H GLU 28 - HB2 MET 1 lone 0 37 - 1 - H LYS 66 - HB2 MET 1 lone 0 33 - 1 - H SER 9 - HB2 MET 1 lone 0 19 - 2 - Peak 872 from cnoeabs.peaks (4.05, 1.93, 32.22 ppm; 3.18 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 20 + HB3 LYS 20 OK 100 100 - 100 - 3.0=100 HA GLU 17 + HB3 LYS 20 OK 54 100 - 54 - 733/1.8=10, 732/4.0=9...(21) HA GLU 16 - HB3 LYS 20 OK 31 97 - 32 - 860/1.8=4, 694=4...(11) HA GLU 17 - HB2 MET 1 OK 18 40 - 47 - 734=7, 728/1.8=6...(22) HB2 SER 49 - HB3 LYS 20 OK 16 98 - 16 - 858/1.8=2, 894/3.0=2...(4) HA LYS 20 - HB2 MET 1 poor 4 40 - 11 - 847=1, 3.6/6325=1 HB3 SER 59 - HB3 LYS 20 lone 4 77 - 5 - HA GLU 16 - HB2 MET 1 lone 3 36 - 7 - 3.6/6255=3 HB2 SER 49 - HB2 MET 1 lone 1 37 - 3 - HB3 SER 59 - HB2 MET 1 lone 1 25 - 3 - Peak 873 from cnoeabs.peaks (1.89, 1.93, 32.22 ppm; 2.40 A): 2 out of 18 assignments used, quality = 1.00: * HB2 LYS 20 + HB3 LYS 20 OK 100 100 - 100 - 1.8=100 HB2 ARG 19 + HB3 LYS 20 OK 49 100 - 50 - 792=12, 4.1/871=5...(24) HB ILE 8 - HB3 LYS 20 OK 16 98 - 17 - 2.1/12205=3, 2.9/12204=2...(7) HB VAL 54 - HB3 LYS 20 lone 9 99 - 9 - HG LEU 42 - HB3 LYS 20 lone 5 97 - 5 - HB3 LEU 14 - HB3 LYS 20 lone 3 84 - 4 - HB3 LYS 68 - HB3 LYS 20 lone 3 65 - 5 - HB2 LYS 20 - HB2 MET 1 lone 2 40 - 6 - 862=1 HB2 GLU 43 - HB3 LYS 20 lone 2 70 - 3 - HB2 ARG 19 - HB2 MET 1 lone 1 39 - 4 - HG LEU 42 - HB2 MET 1 lone 1 36 - 4 - HB ILE 8 - HB2 MET 1 lone 1 37 - 3 - HB3 LEU 14 - HB2 MET 1 lone 1 28 - 3 - 3.0/592=1 HB3 GLU 104 - HB3 LYS 20 lone 1 61 - 1 - HB2 GLU 43 - HB2 MET 1 lone 0 22 - 1 - HB VAL 54 - HB2 MET 1 lone 0 39 - 1 - HB3 LYS 68 - HB2 MET 1 lone 0 21 - 1 - HB3 GLU 104 - HB2 MET 1 lone 0 19 - 0 - Peak 874 from cnoeabs.peaks (1.93, 1.93, 32.22 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 20 + HB3 LYS 20 OK 100 100 - 100 HB2 MET 1 - HB2 MET 1 OK 36 36 - 100 Peak 875 from cnoeabs.peaks (1.46, 1.93, 32.22 ppm; 3.19 A): 1 out of 28 assignments used, quality = 1.00: * HG2 LYS 20 + HB3 LYS 20 OK 100 100 - 100 - 3.0=100 HG2 LYS 53 - HB3 LYS 20 OK 28 98 - 29 - 885=4, 884/1.8=3...(8) HG3 LYS 53 - HB3 LYS 20 OK 26 90 - 29 - 1.8/885=3, 863/1.8=3...(9) HD2 LYS 53 - HB3 LYS 20 OK 25 100 - 25 - 863/1.8=3, 2440/3.0=3...(10) HG3 ARG 91 - HB3 LYS 20 OK 23 99 - 24 - ~10992=4, 863/1.8=3...(7) HG13 ILE 52 - HB3 LYS 20 OK 20 100 - 20 - 863/1.8=2, 897/3.0=2...(7) HD2 LYS 40 - HB3 LYS 20 OK 15 97 - 16 - 863/1.8=2, 897/3.0=2, ~863=1 HD3 LYS 40 - HB3 LYS 20 OK 15 96 - 15 - 863/1.8=2, 897/3.0=2, ~863=1 HG LEU 38 - HB3 LYS 20 OK 14 100 - 14 - 863/1.8=2, ~12068=1, 897/3.0=1 HB2 LEU 38 - HB3 LYS 20 OK 14 100 - 14 - 863/1.8=2, 897/3.0=1, ~10546=1 HB2 LEU 27 - HB3 LYS 20 OK 11 100 - 11 - 1195/4.0=2, 4.4/871=2...(4) HD2 LYS 53 - HB2 MET 1 poor 5 40 - 12 - 12114/4.2=5, 8019/3.0=2...(5) HG2 LYS 20 - HB2 MET 1 poor 4 40 - 11 - 885=2, 1.8/896=1 HG2 LYS 53 - HB2 MET 1 poor 4 37 - 11 - 8023/4.2=3, ~8019=2...(6) HD2 LYS 82 - HB3 LYS 20 lone 4 100 - 4 - HG3 LYS 53 - HB2 MET 1 poor 3 31 - 10 - 8023/4.2=3, ~8019=2...(6) HG13 ILE 52 - HB2 MET 1 lone 2 40 - 6 - 8023/4.2=2, ~9175=1 HG2 LYS 12 - HB3 LYS 20 lone 2 87 - 2 - HG3 LYS 39 - HB3 LYS 20 lone 2 73 - 2 - HD2 LYS 40 - HB2 MET 1 lone 1 36 - 3 - HD3 LYS 40 - HB2 MET 1 lone 1 35 - 3 - HG3 ARG 91 - HB2 MET 1 lone 1 38 - 3 - HG3 LYS 39 - HB2 MET 1 lone 1 24 - 3 - HG LEU 38 - HB2 MET 1 lone 1 40 - 2 - HB2 LEU 38 - HB2 MET 1 lone 1 40 - 2 - HB2 LEU 27 - HB2 MET 1 lone 0 40 - 1 - HD2 LYS 82 - HB2 MET 1 lone 0 40 - 1 - HG2 LYS 12 - HB2 MET 1 lone 0 30 - 1 - Peak 876 from cnoeabs.peaks (1.67, 1.93, 32.22 ppm; 2.83 A): 3 out of 26 assignments used, quality = 1.00: * HG3 LYS 20 + HB3 LYS 20 OK 93 100 - 93 - 3.0=88, 893/4.0=6...(20) HD2 LYS 20 + HB3 LYS 20 OK 80 100 - 80 - 3.5=51, 866/1.8=7...(31) HD3 LYS 20 + HB3 LYS 20 OK 80 100 - 80 - 3.5=51, 866/1.8=7...(31) HD2 LYS 47 - HB3 LYS 20 OK 16 98 - 16 - 865/1.8=1, 907=1 HD3 LYS 47 - HB3 LYS 20 OK 16 97 - 17 - 865/1.8=1, 907=1 HB3 LYS 53 - HB3 LYS 20 OK 15 90 - 17 - 3.0/885=2, 3.0/875=2...(4) HB3 ARG 91 - HB3 LYS 20 OK 14 96 - 15 - ~10992=2, 2.8/875=1, 865/1.8=1 HB ILE 52 - HB3 LYS 20 OK 12 99 - 12 - 3.0/875=1, 866/1.8=1 HB3 LYS 40 - HB3 LYS 20 lone 9 94 - 9 - HD2 LYS 73 - HB3 LYS 20 lone 6 97 - 6 - HD3 LYS 73 - HB3 LYS 20 lone 6 94 - 6 - HB ILE 52 - HB2 MET 1 poor 4 39 - 11 - ~8004=3, ~8034=3...(4) HD2 LYS 47 - HB2 MET 1 lone 3 37 - 9 - HD3 LYS 47 - HB2 MET 1 lone 3 36 - 9 - HG3 LYS 20 - HB2 MET 1 lone 3 40 - 7 - 896=1 HD2 LYS 73 - HB2 MET 1 lone 2 36 - 6 - HD3 LYS 20 - HB2 MET 1 lone 2 40 - 5 - HD2 LYS 20 - HB2 MET 1 lone 2 39 - 5 - HG12 ILE 15 - HB3 LYS 20 lone 2 61 - 3 - HD3 LYS 73 - HB2 MET 1 lone 2 34 - 6 - HG2 PRO 86 - HB2 MET 1 lone 2 21 - 9 - ~12333=2, ~19=1 HG2 PRO 86 - HB3 LYS 20 lone 1 65 - 2 - HB3 LYS 53 - HB2 MET 1 lone 1 31 - 3 - HB3 ARG 91 - HB2 MET 1 lone 1 35 - 3 - HB3 LYS 40 - HB2 MET 1 lone 0 34 - 1 - HG12 ILE 15 - HB2 MET 1 lone 0 19 - 1 - Peak 877 from cnoeabs.peaks (1.68, 1.93, 32.22 ppm; 2.83 A): 3 out of 32 assignments used, quality = 1.00: HG3 LYS 20 + HB3 LYS 20 OK 93 100 - 93 - 3.0=88, 893/4.0=6...(20) * HD2 LYS 20 + HB3 LYS 20 OK 80 100 - 80 - 3.5=51, 866/1.8=7...(31) HD3 LYS 20 + HB3 LYS 20 OK 80 100 - 80 - 3.5=51, 866/1.8=7...(31) HD3 LYS 47 - HB3 LYS 20 OK 17 99 - 17 - 865/1.8=1, 907=1 HD2 LYS 47 - HB3 LYS 20 OK 17 100 - 17 - 865/1.8=1, 907=1 HB3 LYS 53 - HB3 LYS 20 OK 16 96 - 17 - 3.0/885=2, 3.0/875=2...(4) HB3 ARG 91 - HB3 LYS 20 OK 14 99 - 15 - ~10992=2, 2.8/875=1, 865/1.8=1 HB ILE 52 - HB3 LYS 20 OK 12 97 - 12 - 3.0/875=1, 864/1.8=1 HB3 LYS 40 - HB3 LYS 20 lone 9 98 - 10 - HD2 LYS 73 - HB3 LYS 20 lone 6 92 - 6 - HD3 LYS 73 - HB3 LYS 20 lone 5 87 - 6 - HB ILE 52 - HB2 MET 1 poor 4 36 - 11 - ~8004=3, ~8034=3...(4) HD2 LYS 47 - HB2 MET 1 lone 4 39 - 10 - HD3 LYS 47 - HB2 MET 1 lone 4 39 - 10 - HG3 LYS 20 - HB2 MET 1 lone 3 39 - 7 - 896=1 HG12 ILE 15 - HB3 LYS 20 lone 2 73 - 3 - HG2 PRO 86 - HB2 MET 1 lone 2 25 - 9 - ~12333=2, ~19=1 HD2 LYS 20 - HB2 MET 1 lone 2 40 - 5 - HD3 LYS 20 - HB2 MET 1 lone 2 39 - 5 - HD2 LYS 73 - HB2 MET 1 lone 2 33 - 6 - HD3 LYS 73 - HB2 MET 1 lone 2 30 - 6 - HG2 PRO 86 - HB3 LYS 20 lone 2 77 - 2 - HB3 LYS 53 - HB2 MET 1 lone 1 35 - 3 - HB3 ARG 91 - HB2 MET 1 lone 1 38 - 3 - HD2 LYS 24 - HB3 LYS 20 lone 1 65 - 1 - HD3 LYS 24 - HB3 LYS 20 lone 1 61 - 1 - HD3 LYS 90 - HB3 LYS 20 lone 1 61 - 1 - HD3 LYS 90 - HB2 MET 1 lone 1 19 - 3 - HD2 LYS 24 - HB2 MET 1 lone 0 21 - 2 - HB3 LYS 40 - HB2 MET 1 lone 0 37 - 1 - HD3 LYS 24 - HB2 MET 1 lone 0 19 - 2 - HG12 ILE 15 - HB2 MET 1 lone 0 24 - 1 - Peak 878 from cnoeabs.peaks (1.67, 1.93, 32.22 ppm; 2.83 A): 3 out of 26 assignments used, quality = 1.00: HG3 LYS 20 + HB3 LYS 20 OK 93 100 - 93 - 3.0=88, 893/4.0=6...(20) HD2 LYS 20 + HB3 LYS 20 OK 80 100 - 80 - 3.5=51, 866/1.8=7...(31) * HD3 LYS 20 + HB3 LYS 20 OK 80 100 - 80 - 3.5=51, 866/1.8=7...(31) HD2 LYS 47 - HB3 LYS 20 OK 16 98 - 16 - 865/1.8=1, 907=1 HD3 LYS 47 - HB3 LYS 20 OK 16 97 - 17 - 865/1.8=1, 907=1 HB3 LYS 53 - HB3 LYS 20 OK 15 90 - 17 - 3.0/885=2, 3.0/875=2...(4) HB3 ARG 91 - HB3 LYS 20 OK 14 96 - 15 - ~10992=2, 2.8/875=1, 865/1.8=1 HB ILE 52 - HB3 LYS 20 OK 12 99 - 12 - 3.0/875=1, 866/1.8=1 HB3 LYS 40 - HB3 LYS 20 lone 9 94 - 9 - HD2 LYS 73 - HB3 LYS 20 lone 6 97 - 6 - HD3 LYS 73 - HB3 LYS 20 lone 6 94 - 6 - HB ILE 52 - HB2 MET 1 poor 4 39 - 11 - ~8004=3, ~8034=3...(4) HD2 LYS 47 - HB2 MET 1 lone 3 37 - 9 - HD3 LYS 47 - HB2 MET 1 lone 3 36 - 9 - HG3 LYS 20 - HB2 MET 1 lone 3 40 - 7 - 896=1 HD2 LYS 73 - HB2 MET 1 lone 2 36 - 6 - HD3 LYS 20 - HB2 MET 1 lone 2 40 - 5 - HD2 LYS 20 - HB2 MET 1 lone 2 39 - 5 - HG12 ILE 15 - HB3 LYS 20 lone 2 61 - 3 - HD3 LYS 73 - HB2 MET 1 lone 2 34 - 6 - HG2 PRO 86 - HB2 MET 1 lone 2 21 - 9 - ~12333=2, ~19=1 HG2 PRO 86 - HB3 LYS 20 lone 1 65 - 2 - HB3 LYS 53 - HB2 MET 1 lone 1 31 - 3 - HB3 ARG 91 - HB2 MET 1 lone 1 35 - 3 - HB3 LYS 40 - HB2 MET 1 lone 0 34 - 1 - HG12 ILE 15 - HB2 MET 1 lone 0 19 - 1 - Peak 879 from cnoeabs.peaks (2.91, 1.93, 32.22 ppm; 4.02 A): 4 out of 18 assignments used, quality = 1.00: HE3 LYS 20 + HB3 LYS 20 OK 93 100 - 93 - 4.7=61, 868/1.8=9...(46) * HE2 LYS 20 + HB3 LYS 20 OK 93 100 - 93 - 4.7=61, 868/1.8=9...(46) HE3 LYS 94 + HB3 LYS 20 OK 46 100 - 46 - 867/1.8=5, 901/3.0=3...(26) HE2 LYS 94 + HB3 LYS 20 OK 46 96 - 48 - 868/1.8=4, 902/3.0=3...(26) HE3 LYS 68 - HB3 LYS 20 OK 41 99 - 41 - 867/1.8=4, 901/3.0=3...(20) HE2 LYS 68 - HB3 LYS 20 OK 41 100 - 41 - 867/1.8=4, 901/3.0=3...(20) HE3 LYS 66 - HB3 LYS 20 poor 10 90 - 11 - 6313/4.0=2, 852/3.0=1 HE2 LYS 66 - HB3 LYS 20 poor 7 70 - 10 - 6313/4.0=1 HE2 LYS 20 - HB2 MET 1 lone 3 40 - 9 - 3.6/896=1, 3.6/885=1 HE3 LYS 20 - HB2 MET 1 lone 3 40 - 9 - 3.6/896=1, 3.6/885=1 HB2 ASN 10 - HB3 LYS 20 lone 2 73 - 3 - HE3 LYS 94 - HB2 MET 1 lone 2 40 - 4 - HE2 LYS 94 - HB2 MET 1 lone 1 35 - 4 - HE3 LYS 68 - HB2 MET 1 lone 1 39 - 2 - HE2 LYS 68 - HB2 MET 1 lone 1 40 - 2 - HB2 ASN 10 - HB2 MET 1 lone 1 24 - 2 - HE3 LYS 66 - HB2 MET 1 lone 0 31 - 1 - HE2 LYS 66 - HB2 MET 1 lone 0 22 - 1 - Peak 880 from cnoeabs.peaks (2.91, 1.93, 32.22 ppm; 4.02 A): 4 out of 18 assignments used, quality = 1.00: * HE3 LYS 20 + HB3 LYS 20 OK 93 100 - 93 - 4.7=61, 868/1.8=9...(46) HE2 LYS 20 + HB3 LYS 20 OK 93 100 - 93 - 4.7=61, 868/1.8=9...(46) HE2 LYS 94 + HB3 LYS 20 OK 47 97 - 48 - 868/1.8=4, 902/3.0=3...(26) HE3 LYS 94 + HB3 LYS 20 OK 46 100 - 46 - 868/1.8=5, 902/3.0=3...(26) HE2 LYS 68 - HB3 LYS 20 OK 40 100 - 41 - 867/1.8=4, 901/3.0=3...(20) HE3 LYS 68 - HB3 LYS 20 OK 40 99 - 41 - 867/1.8=4, 901/3.0=3...(20) HE3 LYS 66 - HB3 LYS 20 poor 9 87 - 11 - 6313/4.0=2, 852/3.0=1 HE2 LYS 66 - HB3 LYS 20 poor 7 65 - 10 - 6313/4.0=1 HE3 LYS 20 - HB2 MET 1 lone 4 40 - 9 - 3.6/896=1, 3.6/885=1 HE2 LYS 20 - HB2 MET 1 lone 4 40 - 9 - 3.6/896=1, 3.6/885=1 HB2 ASN 10 - HB3 LYS 20 lone 2 77 - 3 - HE3 LYS 94 - HB2 MET 1 lone 2 40 - 4 - HE2 LYS 94 - HB2 MET 1 lone 1 36 - 4 - HE2 LYS 68 - HB2 MET 1 lone 1 39 - 2 - HE3 LYS 68 - HB2 MET 1 lone 1 38 - 2 - HB2 ASN 10 - HB2 MET 1 lone 1 25 - 2 - HE3 LYS 66 - HB2 MET 1 lone 0 30 - 1 - HE2 LYS 66 - HB2 MET 1 lone 0 21 - 1 - Peak 881 from cnoeabs.peaks (7.68, 1.93, 32.22 ppm; 3.56 A): 4 out of 6 assignments used, quality = 0.88: * H MET 21 + HB3 LYS 20 OK 74 100 - 74 - 4.6=45, 6315/4.0=15...(12) H SER 85 + HB3 LYS 20 OK 26 99 - 26 - 869/1.8=5, 6315/4.0=4...(8) HD22 ASN 51 + HB3 LYS 20 OK 21 100 - 21 - 869/1.8=4, 854/3.0=3...(7) HD22 ASN 51 + HB2 MET 1 OK 20 40 - 50 - 8001/3.0=8, 8036/4.2=7...(14) H MET 21 - HB2 MET 1 poor 5 40 - 13 - 6325=3, 8036/4.2=3...(4) H SER 85 - HB2 MET 1 lone 2 39 - 5 - 9860/4.2=1, 8001/3.0=1 Peak 882 from cnoeabs.peaks (7.79, 1.46, 25.11 ppm; 4.05 A): 2 out of 12 assignments used, quality = 0.94: * H LYS 20 + HG2 LYS 20 OK 91 100 - 91 - 4.9=57, 893/1.8=22...(20) H GLU 28 + HG2 LYS 20 OK 29 98 - 29 - 893/1.8=5, 6449=5...(8) H LYS 20 - HG2 LYS 53 OK 22 83 - 27 - 6309=4, 2.9/883=3...(10) H LYS 66 - HG2 LYS 20 OK 18 92 - 20 - 893/1.8=4, 871/3.0=3...(8) H GLU 99 - HG2 LYS 20 OK 18 100 - 18 - 893/1.8=4, 871/3.0=3...(6) H GLU 28 - HG2 LYS 53 OK 16 79 - 20 - 6449=3, 6456/3.0=3...(8) HE ARG 30 - HG2 LYS 20 OK 15 100 - 14 - 893/1.8=3, 871/3.0=3...(4) H SER 9 - HG2 LYS 20 poor 7 61 - 11 - 4.4/884=2, 871/3.0=2...(4) H LYS 66 - HG2 LYS 53 lone 5 71 - 7 - 4.6/12123=2, 7077/5.0=1 H GLU 99 - HG2 LYS 53 lone 2 83 - 3 - HE ARG 30 - HG2 LYS 53 lone 2 82 - 2 - H SER 9 - HG2 LYS 53 lone 1 45 - 2 - Peak 883 from cnoeabs.peaks (4.05, 1.46, 25.11 ppm; 3.51 A): 1 out of 10 assignments used, quality = 0.97: * HA LYS 20 + HG2 LYS 20 OK 97 100 - 97 - 3.7=88, 2.9/882=9...(30) HA GLU 17 - HG2 LYS 20 OK 44 100 - 44 - 732/4.9=9, 733/3.0=8...(14) HA GLU 16 - HG2 LYS 20 OK 27 97 - 28 - 894/1.8=5, 860/3.0=4...(12) HA LYS 20 - HG2 LYS 53 OK 22 83 - 27 - 848=4, 3.0/884=3...(10) HB2 SER 49 - HG2 LYS 20 OK 19 98 - 19 - 894/1.8=4, 858/3.0=2...(9) HB3 SER 59 - HG2 LYS 53 lone 4 57 - 7 - ~2449=1, ~2438=1, ~2405=1 HB3 SER 59 - HG2 LYS 20 lone 4 77 - 5 - HB2 SER 49 - HG2 LYS 53 lone 3 79 - 4 - HA GLU 17 - HG2 LYS 53 lone 3 83 - 4 - HA GLU 16 - HG2 LYS 53 lone 2 78 - 3 - Peak 884 from cnoeabs.peaks (1.89, 1.46, 25.11 ppm; 3.03 A): 2 out of 18 assignments used, quality = 1.00: * HB2 LYS 20 + HG2 LYS 20 OK 100 100 - 100 - 3.0=100 HB2 ARG 19 + HG2 LYS 20 OK 46 100 - 47 - 792/3.0=7, 895/1.8=6...(17) HB2 LYS 20 - HG2 LYS 53 OK 24 83 - 29 - 863=4, 1.8/885=3...(10) HB ILE 8 - HG2 LYS 20 OK 20 98 - 21 - 895/1.8=3, 873/3.0=2...(7) HB VAL 54 - HG2 LYS 20 OK 15 99 - 15 - 2.1/10208=2, 895/1.8=2...(7) HB VAL 54 - HG2 LYS 53 OK 12 82 - 15 - 9232/3.9=6, 3.9/6891=3...(5) HG LEU 42 - HG2 LYS 20 lone 9 97 - 9 - 895/1.8=1 HB3 LYS 68 - HG2 LYS 20 lone 5 65 - 8 - HB3 LYS 68 - HG2 LYS 53 lone 5 48 - 10 - ~2406=1, ~2450=1...(4) HB2 GLU 43 - HG2 LYS 20 lone 4 70 - 6 - HG LEU 42 - HG2 LYS 53 lone 4 78 - 5 - HB3 LEU 14 - HG2 LYS 20 lone 4 84 - 5 - HB2 ARG 19 - HG2 LYS 53 lone 3 82 - 4 - 4.1/882=1 HB ILE 8 - HG2 LYS 53 lone 2 79 - 3 - HB3 GLU 104 - HG2 LYS 20 lone 1 61 - 1 - HB2 GLU 43 - HG2 LYS 53 lone 1 51 - 1 - HB3 LEU 14 - HG2 LYS 53 lone 1 64 - 1 - HB3 GLU 104 - HG2 LYS 53 lone 0 45 - 0 - Peak 885 from cnoeabs.peaks (1.93, 1.46, 25.11 ppm; 3.15 A): 2 out of 22 assignments used, quality = 1.00: * HB3 LYS 20 + HG2 LYS 20 OK 100 100 - 100 - 3.0=100 HB3 ARG 19 + HG2 LYS 20 OK 48 99 - 49 - 801/3.0=7, 798/3.7=7...(19) HB2 GLU 17 - HG2 LYS 20 OK 35 97 - 37 - 737/3.7=5, 2.9/883=4...(15) HB3 LYS 20 - HG2 LYS 53 OK 26 83 - 32 - 875=4, 1.8/884=3...(10) HB3 LYS 47 - HG2 LYS 20 OK 16 92 - 17 - 896/1.8=2, 862/3.0=1 HB VAL 32 - HG2 LYS 20 OK 13 98 - 13 - 2.1/8944=2, 896/1.8=2...(5) HB2 LYS 94 - HG2 LYS 20 OK 13 87 - 15 - 896/1.8=2, 4193/3.6=1...(6) HB2 MET 1 - HG2 LYS 20 OK 10 97 - 10 - 896/1.8=1 HB2 MET 1 - HG2 LYS 53 poor 9 78 - 12 - 4.2/8023=3, ~8019=2...(6) HG3 GLU 88 - HG2 LYS 20 lone 5 94 - 5 - HB3 ARG 19 - HG2 LYS 53 lone 3 80 - 4 - 4.1/882=1 HB VAL 32 - HG2 LYS 53 lone 3 79 - 4 - HB2 GLU 17 - HG2 LYS 53 lone 2 78 - 3 - HB3 LYS 47 - HG2 LYS 53 lone 2 71 - 2 - HB2 LYS 33 - HG2 LYS 53 lone 1 51 - 3 - HB3 LYS 33 - HG2 LYS 53 lone 1 45 - 3 - HB2 LYS 13 - HG2 LYS 20 lone 1 65 - 1 - HB2 LYS 33 - HG2 LYS 20 lone 1 70 - 1 - HB2 LYS 94 - HG2 LYS 53 lone 1 66 - 1 - HB3 LYS 33 - HG2 LYS 20 lone 1 61 - 1 - HG3 GLU 88 - HG2 LYS 53 lone 1 74 - 1 - HB2 LYS 13 - HG2 LYS 53 lone 0 48 - 1 - Peak 886 from cnoeabs.peaks (1.46, 1.46, 25.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 20 + HG2 LYS 20 OK 100 100 - 100 HG2 LYS 53 + HG2 LYS 53 OK 79 79 - 100 Peak 887 from cnoeabs.peaks (1.67, 1.46, 25.11 ppm; 2.40 A): 4 out of 26 assignments used, quality = 1.00: * HG3 LYS 20 + HG2 LYS 20 OK 100 100 - 100 - 1.8=100 HD3 LYS 20 + HG2 LYS 20 OK 73 100 - 73 - 2.8=60, 1.8/919=3...(16) HD2 LYS 20 + HG2 LYS 20 OK 73 100 - 73 - 2.8=60, 1.8/919=3...(16) HB3 LYS 53 + HG2 LYS 53 OK 49 69 - 71 - 3.0=53, 1.8/2417=5...(21) HG3 LYS 20 - HG2 LYS 53 OK 17 83 - 20 - 897=3, 897/1.8=2...(5) HB3 ARG 91 - HG2 LYS 20 OK 14 96 - 15 - 1.8/4030=2, 2.8/4049=1, 4040=1 HD3 LYS 20 - HG2 LYS 53 OK 14 83 - 16 - 2.8/897=1, 919=1, 3.5/884=1 HD2 LYS 20 - HG2 LYS 53 OK 13 82 - 17 - 2.8/897=1, 908=1...(4) HB ILE 52 - HG2 LYS 53 OK 13 82 - 16 - 2349/5.0=3, 3.0/2363=1 HB3 ARG 91 - HG2 LYS 53 OK 11 76 - 15 - 1.8/4030=2, 4040=1 HB3 LYS 40 - HG2 LYS 53 OK 10 74 - 14 - HB ILE 52 - HG2 LYS 20 OK 10 99 - 10 - HD2 LYS 47 - HG2 LYS 20 lone 10 98 - 10 - HD3 LYS 47 - HG2 LYS 20 lone 10 97 - 10 - HB3 LYS 53 - HG2 LYS 20 poor 9 90 - 10 - 1.8/2399=1 HB3 LYS 40 - HG2 LYS 20 lone 7 94 - 8 - HD2 LYS 73 - HG2 LYS 20 lone 3 97 - 3 - HD3 LYS 73 - HG2 LYS 20 lone 3 94 - 3 - HD2 LYS 47 - HG2 LYS 53 lone 2 79 - 3 - HD3 LYS 47 - HG2 LYS 53 lone 2 78 - 3 - HG2 PRO 86 - HG2 LYS 53 lone 2 48 - 3 - HG12 ILE 15 - HG2 LYS 20 lone 1 61 - 2 - HD2 LYS 73 - HG2 LYS 53 lone 1 78 - 1 - HG2 PRO 86 - HG2 LYS 20 lone 1 65 - 1 - HG12 ILE 15 - HG2 LYS 53 lone 1 45 - 1 - HD3 LYS 73 - HG2 LYS 53 lone 1 74 - 1 - Peak 888 from cnoeabs.peaks (1.68, 1.46, 25.11 ppm; 2.40 A): 4 out of 32 assignments used, quality = 1.00: HG3 LYS 20 + HG2 LYS 20 OK 100 100 - 100 - 1.8=100 * HD2 LYS 20 + HG2 LYS 20 OK 73 100 - 73 - 2.8=60, 1.8/919=3...(16) HD3 LYS 20 + HG2 LYS 20 OK 73 100 - 73 - 2.8=60, 1.8/919=3...(16) HB3 LYS 53 + HG2 LYS 53 OK 54 76 - 72 - 3.0=53, 1.8/2417=5...(21) HG3 LYS 20 - HG2 LYS 53 OK 17 82 - 21 - 897=3, 897/1.8=2...(6) HB3 ARG 91 - HG2 LYS 20 OK 14 99 - 15 - 1.8/4030=2, 2.8/4049=1, 4040=1 HD2 LYS 20 - HG2 LYS 53 OK 14 83 - 17 - 2.8/897=1, 908=1...(4) HD3 LYS 20 - HG2 LYS 53 OK 14 82 - 17 - 2.8/897=1, 919=1...(4) HB ILE 52 - HG2 LYS 53 OK 12 78 - 16 - 2349/5.0=3, 3.0/2363=1...(4) HB3 ARG 91 - HG2 LYS 53 OK 12 80 - 15 - 1.8/4030=2, 4040=1, 2440/3.0=1 HB3 LYS 40 - HG2 LYS 53 OK 11 79 - 14 - HD2 LYS 47 - HG2 LYS 20 OK 10 100 - 10 - HD3 LYS 47 - HG2 LYS 20 OK 10 99 - 10 - HB ILE 52 - HG2 LYS 20 poor 10 97 - 10 - HB3 LYS 53 - HG2 LYS 20 poor 10 96 - 10 - 1.8/2399=1 HB3 LYS 40 - HG2 LYS 20 lone 8 98 - 8 - HD3 LYS 90 - HG2 LYS 53 poor 5 45 - 10 - 2396/3.0=1, ~3971=1 HD2 LYS 73 - HG2 LYS 20 lone 3 92 - 3 - HD3 LYS 73 - HG2 LYS 20 lone 3 87 - 3 - HD2 LYS 47 - HG2 LYS 53 lone 2 82 - 3 - HD3 LYS 47 - HG2 LYS 53 lone 2 82 - 3 - HG2 PRO 86 - HG2 LYS 53 lone 2 57 - 4 - HG12 ILE 15 - HG2 LYS 20 lone 1 73 - 2 - HG12 ILE 15 - HG2 LYS 53 lone 1 54 - 1 - HG2 PRO 86 - HG2 LYS 20 lone 1 77 - 1 - HD2 LYS 24 - HG2 LYS 53 lone 1 48 - 1 - HD2 LYS 73 - HG2 LYS 53 lone 1 71 - 1 - HD3 LYS 24 - HG2 LYS 53 lone 1 45 - 1 - HD3 LYS 73 - HG2 LYS 53 lone 0 66 - 1 - HD3 LYS 90 - HG2 LYS 20 lone 0 61 - 1 - HD2 LYS 24 - HG2 LYS 20 lone 0 65 - 0 - HD3 LYS 24 - HG2 LYS 20 lone 0 61 - 0 - Peak 889 from cnoeabs.peaks (1.67, 1.46, 25.11 ppm; 2.40 A): 4 out of 26 assignments used, quality = 1.00: HG3 LYS 20 + HG2 LYS 20 OK 100 100 - 100 - 1.8=100 * HD3 LYS 20 + HG2 LYS 20 OK 73 100 - 73 - 2.8=60, 1.8/919=3...(16) HD2 LYS 20 + HG2 LYS 20 OK 73 100 - 73 - 2.8=60, 1.8/919=3...(16) HB3 LYS 53 + HG2 LYS 53 OK 49 69 - 71 - 3.0=53, 1.8/2417=5...(21) HG3 LYS 20 - HG2 LYS 53 OK 17 83 - 20 - 897=3, 897/1.8=2...(5) HB3 ARG 91 - HG2 LYS 20 OK 14 96 - 15 - 1.8/4030=2, 2.8/4049=1, 4040=1 HD3 LYS 20 - HG2 LYS 53 OK 14 83 - 16 - 2.8/897=1, 919=1, 3.5/884=1 HD2 LYS 20 - HG2 LYS 53 OK 13 82 - 17 - 2.8/897=1, 908=1...(4) HB ILE 52 - HG2 LYS 53 OK 13 82 - 16 - 2349/5.0=3, 3.0/2363=1 HB3 ARG 91 - HG2 LYS 53 OK 11 76 - 15 - 1.8/4030=2, 4040=1 HB3 LYS 40 - HG2 LYS 53 OK 10 74 - 14 - HB ILE 52 - HG2 LYS 20 OK 10 99 - 10 - HD2 LYS 47 - HG2 LYS 20 lone 10 98 - 10 - HD3 LYS 47 - HG2 LYS 20 lone 10 97 - 10 - HB3 LYS 53 - HG2 LYS 20 poor 9 90 - 10 - 1.8/2399=1 HB3 LYS 40 - HG2 LYS 20 lone 7 94 - 8 - HD2 LYS 73 - HG2 LYS 20 lone 3 97 - 3 - HD3 LYS 73 - HG2 LYS 20 lone 3 94 - 3 - HD2 LYS 47 - HG2 LYS 53 lone 2 79 - 3 - HD3 LYS 47 - HG2 LYS 53 lone 2 78 - 3 - HG2 PRO 86 - HG2 LYS 53 lone 2 48 - 3 - HG12 ILE 15 - HG2 LYS 20 lone 1 61 - 2 - HD2 LYS 73 - HG2 LYS 53 lone 1 78 - 1 - HG2 PRO 86 - HG2 LYS 20 lone 1 65 - 1 - HG12 ILE 15 - HG2 LYS 53 lone 1 45 - 1 - HD3 LYS 73 - HG2 LYS 53 lone 1 74 - 1 - Peak 890 from cnoeabs.peaks (2.91, 1.46, 25.11 ppm; 3.97 A): 2 out of 18 assignments used, quality = 1.00: * HE2 LYS 20 + HG2 LYS 20 OK 100 100 - 100 - 3.6=100 HE3 LYS 20 + HG2 LYS 20 OK 100 100 - 100 - 3.6=100 HE3 LYS 94 - HG2 LYS 20 OK 43 100 - 43 - 901/1.8=4, 867/3.0=4...(18) HE2 LYS 94 - HG2 LYS 20 OK 43 96 - 45 - 902/1.8=4, 868/3.0=3...(19) HE3 LYS 68 - HG2 LYS 20 OK 38 99 - 38 - 901/1.8=4, 867/3.0=3...(15) HE2 LYS 68 - HG2 LYS 20 OK 38 100 - 38 - 901/1.8=4, 867/3.0=3...(14) HE2 LYS 20 - HG2 LYS 53 OK 21 83 - 25 - 3.6/897=3, 4.7/884=2...(11) HE3 LYS 20 - HG2 LYS 53 OK 21 83 - 25 - 3.6/897=3, 4.7/884=2...(11) HE3 LYS 66 - HG2 LYS 20 lone 8 90 - 9 - 6313/4.9=1 HE2 LYS 66 - HG2 LYS 20 lone 6 70 - 9 - HE2 LYS 68 - HG2 LYS 53 lone 6 83 - 7 - HE3 LYS 68 - HG2 LYS 53 lone 6 82 - 7 - HE3 LYS 94 - HG2 LYS 53 lone 2 83 - 2 - HE2 LYS 94 - HG2 LYS 53 lone 2 76 - 2 - HB2 ASN 10 - HG2 LYS 20 lone 2 73 - 2 - HE3 LYS 66 - HG2 LYS 53 lone 1 69 - 2 - HB2 ASN 10 - HG2 LYS 53 lone 1 54 - 2 - HE2 LYS 66 - HG2 LYS 53 lone 1 51 - 2 - Peak 891 from cnoeabs.peaks (2.91, 1.46, 25.11 ppm; 3.97 A): 2 out of 18 assignments used, quality = 1.00: * HE3 LYS 20 + HG2 LYS 20 OK 100 100 - 100 - 3.6=100 HE2 LYS 20 + HG2 LYS 20 OK 100 100 - 100 - 3.6=100 HE2 LYS 94 - HG2 LYS 20 OK 43 97 - 45 - 902/1.8=4, 868/3.0=3...(19) HE3 LYS 94 - HG2 LYS 20 OK 43 100 - 43 - 902/1.8=4, 868/3.0=4...(18) HE3 LYS 68 - HG2 LYS 20 OK 38 99 - 38 - 901/1.8=4, 867/3.0=3...(15) HE2 LYS 68 - HG2 LYS 20 OK 38 100 - 38 - 901/1.8=4, 867/3.0=3...(14) HE3 LYS 20 - HG2 LYS 53 OK 21 83 - 25 - 3.6/897=3, 4.7/884=2...(11) HE2 LYS 20 - HG2 LYS 53 OK 21 83 - 25 - 3.6/897=3, 4.7/884=2...(11) HE3 LYS 66 - HG2 LYS 20 lone 8 87 - 9 - 6313/4.9=1 HE2 LYS 68 - HG2 LYS 53 lone 6 82 - 7 - HE3 LYS 68 - HG2 LYS 53 lone 6 80 - 7 - HE2 LYS 66 - HG2 LYS 20 lone 6 65 - 9 - HE3 LYS 94 - HG2 LYS 53 lone 2 83 - 2 - HE2 LYS 94 - HG2 LYS 53 lone 2 78 - 2 - HB2 ASN 10 - HG2 LYS 20 lone 2 77 - 2 - HE3 LYS 66 - HG2 LYS 53 lone 1 66 - 2 - HB2 ASN 10 - HG2 LYS 53 lone 1 57 - 2 - HE2 LYS 66 - HG2 LYS 53 lone 1 48 - 2 - Peak 892 from cnoeabs.peaks (7.68, 1.46, 25.11 ppm; 6.03 A): 3 out of 6 assignments used, quality = 0.98: * H MET 21 + HG2 LYS 20 OK 90 100 - 90 - 6315/4.9=29, 869/3.0=27...(16) H SER 85 + HG2 LYS 20 OK 54 99 - 54 - 903/1.8=12, 869/3.0=11...(10) HD22 ASN 51 + HG2 LYS 20 OK 48 100 - 48 - 903/1.8=11, 869/3.0=9...(11) H MET 21 - HG2 LYS 53 OK 29 83 - 35 - 3.6/883=5, 4.6/884=4...(9) H SER 85 - HG2 LYS 53 OK 17 82 - 21 - 9861/3.0=8, ~9203=3...(4) HD22 ASN 51 - HG2 LYS 53 OK 16 83 - 20 - ~9214=5, ~9212=4...(6) Peak 893 from cnoeabs.peaks (7.79, 1.67, 25.11 ppm; 3.86 A): 5 out of 6 assignments used, quality = 0.94: * H LYS 20 + HG3 LYS 20 OK 88 100 - 88 - 4.9=49, 871/3.0=19...(21) H GLU 28 + HG3 LYS 20 OK 20 98 - 21 - 882/1.8=4, 871/3.0=4...(6) H GLU 99 + HG3 LYS 20 OK 16 100 - 16 - 871/3.0=3, 859/3.0=3...(6) H LYS 66 + HG3 LYS 20 OK 15 92 - 16 - 871/3.0=3, 859/3.0=3...(8) HE ARG 30 + HG3 LYS 20 OK 12 100 - 12 - 871/3.0=2, 859/3.0=2...(4) H SER 9 - HG3 LYS 20 poor 6 61 - 10 - 4.4/895=2, 871/3.0=2...(4) Peak 894 from cnoeabs.peaks (4.05, 1.67, 25.11 ppm; 3.87 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 20 + HG3 LYS 20 OK 100 100 - 100 - 3.7=100 HA GLU 17 + HG3 LYS 20 OK 49 100 - 50 - 732/4.9=11, 733/3.0=10...(13) HA GLU 16 - HG3 LYS 20 OK 31 97 - 32 - 883/1.8=5, 860/3.0=5...(12) HB2 SER 49 - HG3 LYS 20 OK 23 98 - 23 - 883/1.8=4, 858/3.0=3...(11) HB3 SER 59 - HG3 LYS 20 lone 5 77 - 6 - Peak 895 from cnoeabs.peaks (1.89, 1.67, 25.11 ppm; 3.74 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LYS 20 + HG3 LYS 20 OK 100 100 - 100 - 3.0=100 HB2 ARG 19 + HG3 LYS 20 OK 62 100 - 62 - 4.1/893=11, 792/3.0=10...(18) HB ILE 8 - HG3 LYS 20 OK 29 98 - 30 - 884/1.8=4, 873/3.0=3...(13) HB VAL 54 - HG3 LYS 20 OK 22 99 - 22 - 2.1/10206=3, 884/1.8=3...(11) HG LEU 42 - HG3 LYS 20 OK 13 97 - 13 - 884/1.8=2, 873/3.0=1 HB3 LYS 68 - HG3 LYS 20 poor 8 65 - 12 - 5.0/901=2, 5.0/901=1 HB2 GLU 43 - HG3 LYS 20 poor 7 70 - 10 - 3.0/10603=1 HB3 LEU 14 - HG3 LYS 20 lone 6 84 - 7 - HB3 GLU 104 - HG3 LYS 20 lone 1 61 - 2 - Peak 896 from cnoeabs.peaks (1.93, 1.67, 25.11 ppm; 3.71 A): 3 out of 11 assignments used, quality = 1.00: * HB3 LYS 20 + HG3 LYS 20 OK 100 100 - 100 - 3.0=100 HB3 ARG 19 + HG3 LYS 20 OK 60 99 - 61 - 4.1/893=11, 798/3.7=10...(18) HB2 GLU 17 + HG3 LYS 20 OK 47 97 - 49 - 2.9/894=6, 737/3.7=6...(18) HB3 LYS 47 - HG3 LYS 20 OK 25 92 - 26 - 885/1.8=2, 3.0/2174=2...(8) HB2 LYS 94 - HG3 LYS 20 OK 18 87 - 21 - 885/1.8=2, 4.8/902=2...(9) HB VAL 32 - HG3 LYS 20 OK 18 98 - 18 - 2.1/8946=3, ~8944=2...(8) HB2 MET 1 - HG3 LYS 20 OK 13 97 - 13 - 885/1.8=2, 862/3.0=1 HG3 GLU 88 - HG3 LYS 20 lone 7 94 - 7 - HB2 LYS 13 - HG3 LYS 20 lone 1 65 - 2 - HB2 LYS 33 - HG3 LYS 20 lone 1 70 - 2 - HB3 LYS 33 - HG3 LYS 20 lone 1 61 - 2 - Peak 897 from cnoeabs.peaks (1.46, 1.67, 25.11 ppm; 2.89 A): 1 out of 14 assignments used, quality = 1.00: * HG2 LYS 20 + HG3 LYS 20 OK 100 100 - 100 - 1.8=100 HG2 LYS 53 - HG3 LYS 20 OK 28 98 - 29 - 884/3.0=2, 885/3.0=2...(8) HD2 LYS 53 - HG3 LYS 20 OK 27 100 - 27 - 2440=4, 2440/2.8=2...(8) HG3 LYS 53 - HG3 LYS 20 OK 26 90 - 29 - 3.0/2440=2, 863/3.0=2...(8) HG3 ARG 91 - HG3 LYS 20 OK 24 99 - 25 - 1.8/4047=2, 4056=2...(8) HG13 ILE 52 - HG3 LYS 20 OK 21 100 - 21 - 2368=2, 2.1/2376=2...(7) HD2 LYS 40 - HG3 LYS 20 OK 17 97 - 17 - 3.0/1809=1, 3.0/1820=1...(4) HD3 LYS 40 - HG3 LYS 20 OK 17 96 - 17 - 3.0/1809=1, 3.0/1820=1...(4) HG LEU 38 - HG3 LYS 20 OK 15 100 - 14 - 2.1/12070=1, 2368=1, 863/3.0=1 HB2 LEU 38 - HG3 LYS 20 OK 14 100 - 14 - 3.1/12070=1 HB2 LEU 27 - HG3 LYS 20 lone 8 100 - 8 - 4.4/893=1, 1195/4.9=1 HD2 LYS 82 - HG3 LYS 20 lone 3 100 - 3 - HG2 LYS 12 - HG3 LYS 20 lone 2 87 - 2 - HG3 LYS 39 - HG3 LYS 20 lone 1 73 - 2 - Peak 898 from cnoeabs.peaks (1.67, 1.67, 25.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 20 + HG3 LYS 20 OK 100 100 - 100 Peak 899 from cnoeabs.peaks (1.68, 1.67, 25.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG3 LYS 20 + HG3 LYS 20 OK 100 100 - 100 Reference assignment not found: HD2 LYS 20 - HG3 LYS 20 Peak 900 from cnoeabs.peaks (1.67, 1.67, 25.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG3 LYS 20 + HG3 LYS 20 OK 100 100 - 100 Reference assignment not found: HD3 LYS 20 - HG3 LYS 20 Peak 901 from cnoeabs.peaks (2.91, 1.67, 25.11 ppm; 4.00 A): 2 out of 9 assignments used, quality = 1.00: * HE2 LYS 20 + HG3 LYS 20 OK 100 100 - 100 - 3.6=100 HE3 LYS 20 + HG3 LYS 20 OK 100 100 - 100 - 3.6=100 HE3 LYS 94 - HG3 LYS 20 OK 42 100 - 43 - 891/1.8=4, 867/3.0=4...(21) HE2 LYS 94 - HG3 LYS 20 OK 42 96 - 44 - 891/1.8=4, 868/3.0=4...(22) HE3 LYS 68 - HG3 LYS 20 OK 37 99 - 37 - 890/1.8=3, 867/3.0=3...(17) HE2 LYS 68 - HG3 LYS 20 OK 36 100 - 36 - 890/1.8=3, 867/3.0=3...(16) HE3 LYS 66 - HG3 LYS 20 lone 8 90 - 9 - 6313/4.9=1 HE2 LYS 66 - HG3 LYS 20 lone 6 70 - 9 - HB2 ASN 10 - HG3 LYS 20 lone 2 73 - 2 - Peak 902 from cnoeabs.peaks (2.91, 1.67, 25.11 ppm; 4.00 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 20 + HG3 LYS 20 OK 100 100 - 100 - 3.6=100 HE2 LYS 20 + HG3 LYS 20 OK 100 100 - 100 - 3.6=100 HE2 LYS 94 - HG3 LYS 20 OK 43 97 - 44 - 891/1.8=4, 868/3.0=4...(22) HE3 LYS 94 - HG3 LYS 20 OK 42 100 - 43 - 891/1.8=4, 868/3.0=4...(21) HE3 LYS 68 - HG3 LYS 20 OK 37 99 - 37 - 890/1.8=3, 867/3.0=3...(17) HE2 LYS 68 - HG3 LYS 20 OK 36 100 - 36 - 890/1.8=3, 867/3.0=3...(16) HE3 LYS 66 - HG3 LYS 20 lone 8 87 - 9 - 6313/4.9=1 HE2 LYS 66 - HG3 LYS 20 lone 6 65 - 9 - HB2 ASN 10 - HG3 LYS 20 lone 2 77 - 3 - Peak 903 from cnoeabs.peaks (7.68, 1.67, 25.11 ppm; 5.76 A): 3 out of 3 assignments used, quality = 0.97: * H MET 21 + HG3 LYS 20 OK 88 100 - 88 - 6315/4.9=28, 869/3.0=26...(18) H SER 85 + HG3 LYS 20 OK 50 99 - 51 - 869/3.0=10, 881/3.0=9...(10) HD22 ASN 51 + HG3 LYS 20 OK 45 100 - 45 - 869/3.0=8, 892/1.8=7...(11) Peak 904 from cnoeabs.peaks (7.79, 1.68, 29.19 ppm; 4.06 A): 2 out of 30 assignments used, quality = 0.98: * H LYS 20 + HD2 LYS 20 OK 86 100 - 86 - 5.9=32, 893/2.8=18...(24) H LYS 20 + HD3 LYS 20 OK 84 98 - 85 - 5.9=32, 893/2.8=18...(23) H GLU 28 - HD2 LYS 20 OK 19 98 - 20 - 893/2.8=4, 882/2.8=4...(5) H GLU 28 - HD3 LYS 20 OK 19 95 - 20 - 893/2.8=4, 882/2.8=4...(5) H LYS 66 - HD2 LYS 20 OK 16 92 - 17 - 893/2.8=3, 859/3.5=3...(7) HE ARG 30 - HB3 ARG 91 OK 15 89 - 17 - 11053/3.5=4, ~4032=3...(8) H GLU 99 - HD2 LYS 20 OK 15 100 - 15 - 893/2.8=3, 871/3.5=3...(5) H LYS 20 - HD2 LYS 47 OK 15 97 - 16 - 6311=2, 2.9/905=2...(6) H GLU 99 - HD3 LYS 20 OK 15 98 - 15 - 893/2.8=3, 871/3.5=3...(5) H LYS 20 - HD3 LYS 47 OK 15 94 - 16 - 6311=2, 2.9/905=2...(6) H LYS 66 - HD3 LYS 20 OK 15 88 - 17 - 893/2.8=3, 859/3.5=3...(7) H LYS 20 - HB3 ARG 91 OK 15 90 - 16 - ~10992=6, 6309/2.8=2...(6) HE ARG 30 - HD2 LYS 20 OK 13 100 - 12 - 893/2.8=3, 871/3.5=2...(5) HE ARG 30 - HD3 LYS 20 OK 12 97 - 12 - 893/2.8=3, 871/3.5=2...(5) H GLU 99 - HB3 ARG 91 lone 7 90 - 7 - 7613/4.3=2, 7607/3.5=2 H SER 9 - HD2 LYS 20 lone 5 61 - 8 - 859/3.5=1, 871/3.5=1, 893/2.8=1 H SER 9 - HD3 LYS 20 lone 5 58 - 8 - 859/3.5=1, 871/3.5=1, 893/2.8=1 H LYS 66 - HB3 ARG 91 lone 4 78 - 6 - H LYS 66 - HD2 LYS 47 lone 3 86 - 3 - H LYS 66 - HD3 LYS 47 lone 3 82 - 3 - H GLU 99 - HD2 LYS 47 lone 2 96 - 2 - H GLU 28 - HB3 ARG 91 lone 2 86 - 2 - H GLU 99 - HD3 LYS 47 lone 2 93 - 2 - HE ARG 30 - HD2 LYS 47 lone 1 96 - 1 - HE ARG 30 - HD3 LYS 47 lone 1 93 - 1 - H GLU 28 - HD2 LYS 47 lone 1 93 - 1 - H SER 9 - HD2 LYS 47 lone 1 56 - 2 - H GLU 28 - HD3 LYS 47 lone 1 90 - 1 - H SER 9 - HD3 LYS 47 lone 1 53 - 2 - H SER 9 - HB3 ARG 91 lone 1 50 - 2 - Peak 905 from cnoeabs.peaks (4.05, 1.68, 29.19 ppm; 3.69 A): 2 out of 25 assignments used, quality = 0.99: * HA LYS 20 + HD2 LYS 20 OK 89 100 - 89 - 5.3=34, 883/2.8=13...(40) HA LYS 20 + HD3 LYS 20 OK 87 98 - 89 - 5.3=34, 883/2.8=13...(40) HA GLU 17 - HD2 LYS 20 OK 39 100 - 39 - 733/3.5=8, 732/5.9=7...(9) HA GLU 17 - HD3 LYS 20 OK 37 98 - 39 - 733/3.5=8, 732/5.9=7...(9) HA GLU 16 - HD2 LYS 20 OK 26 97 - 27 - 894/2.8=4, 860/3.5=4...(12) HA GLU 16 - HD3 LYS 20 OK 26 94 - 28 - 894/2.8=4, 860/3.5=4...(12) HA LYS 20 - HD2 LYS 47 OK 22 97 - 23 - 851=2, 851/1.8=2...(5) HA LYS 20 - HD3 LYS 47 OK 22 94 - 23 - 851=2, 851/1.8=2...(5) HB2 SER 49 - HD2 LYS 20 OK 20 98 - 20 - 894/2.8=3, 883/2.8=3...(9) HB2 SER 49 - HD3 LYS 20 OK 19 95 - 20 - 894/2.8=3, 883/2.8=3...(9) HA LYS 20 - HB3 ARG 91 OK 15 90 - 17 - 10992/2.8=4, 848/2.8=2...(6) HA GLU 16 - HB3 ARG 91 lone 5 84 - 6 - 10992/2.8=1 HB2 SER 49 - HD2 LYS 47 lone 5 93 - 5 - 9062/3.9=2 HB2 SER 49 - HD3 LYS 47 lone 4 90 - 5 - 9062/3.9=2 HA GLU 17 - HD2 LYS 47 lone 4 96 - 4 - HA GLU 16 - HD2 LYS 47 lone 4 92 - 4 - HA GLU 17 - HD3 LYS 47 lone 4 94 - 4 - HA GLU 16 - HD3 LYS 47 lone 4 88 - 4 - HB3 SER 59 - HD2 LYS 20 lone 4 77 - 5 - HB3 SER 59 - HD3 LYS 20 lone 3 73 - 4 - HA GLU 17 - HB3 ARG 91 lone 3 90 - 3 - HB2 SER 49 - HB3 ARG 91 lone 3 86 - 3 - HB3 SER 59 - HD2 LYS 47 lone 1 71 - 2 - HB3 SER 59 - HD3 LYS 47 lone 1 67 - 2 - HB3 SER 59 - HB3 ARG 91 lone 1 64 - 2 - Peak 906 from cnoeabs.peaks (1.89, 1.68, 29.19 ppm; 3.06 A): 2 out of 45 assignments used, quality = 0.98: * HB2 LYS 20 + HD2 LYS 20 OK 89 100 - 89 - 3.5=65, 1.8/876=8...(37) HB2 LYS 20 + HD3 LYS 20 OK 87 98 - 88 - 3.5=65, 1.8/878=8...(36) HB2 ARG 19 - HD2 LYS 20 OK 31 100 - 31 - 792/3.5=6, 895/2.8=5...(8) HB2 ARG 19 - HD3 LYS 20 OK 30 97 - 31 - 792/3.5=6, 895/2.8=5...(8) HB2 LYS 20 - HD2 LYS 47 OK 20 97 - 20 - 865=2, 865/1.8=2, 1.8/877=2 HB2 LYS 20 - HD3 LYS 47 OK 19 94 - 20 - 865=2, 865/1.8=2, 1.8/877=2 HB2 LYS 20 - HB3 ARG 91 OK 16 90 - 18 - ~10992=3, 865=2...(4) HB ILE 8 - HD2 LYS 20 OK 11 98 - 11 - 895/2.8=2, 884/2.8=2, 873/3.5=2 HB VAL 54 - HD2 LYS 20 OK 11 99 - 11 - 895/2.8=2, 884/2.8=1...(6) HB VAL 54 - HD3 LYS 20 OK 10 97 - 11 - 895/2.8=2, 884/2.8=1...(6) HB ILE 8 - HD3 LYS 20 poor 10 95 - 10 - 895/2.8=2, 884/2.8=2, 873/3.5=2 HB2 GLU 43 - HB3 ARG 91 poor 9 57 - 16 - ~4026=1, 12311/3.9=1 HB3 LYS 68 - HD2 LYS 20 poor 8 65 - 12 - HB3 LYS 68 - HD3 LYS 20 poor 7 61 - 12 - HG LEU 42 - HD2 LYS 20 lone 6 97 - 6 - 895/2.8=1 HG LEU 42 - HD3 LYS 20 lone 5 94 - 6 - 895/2.8=1 HB2 GLU 43 - HD2 LYS 20 lone 5 70 - 6 - HB2 GLU 43 - HD3 LYS 20 lone 4 65 - 6 - HB2 GLU 43 - HD2 LYS 47 lone 4 63 - 7 - 4.4/8972=2 HB2 GLU 43 - HD3 LYS 47 lone 4 60 - 7 - 4.4/8972=1 HG LEU 42 - HB3 ARG 91 lone 3 84 - 3 - HB3 LEU 14 - HD2 LYS 20 lone 3 84 - 3 - HB2 ARG 19 - HD2 LYS 47 lone 3 96 - 3 - HB2 ARG 19 - HD3 LYS 47 lone 2 93 - 3 - HB3 LEU 14 - HD3 LYS 20 lone 2 80 - 3 - HB2 ARG 19 - HB3 ARG 91 lone 2 89 - 3 - HB VAL 54 - HD2 LYS 47 lone 2 95 - 2 - HB VAL 54 - HD3 LYS 47 lone 2 92 - 2 - HB3 LEU 14 - HD2 LYS 47 lone 2 77 - 2 - HG LEU 42 - HD2 LYS 47 lone 2 92 - 2 - HB3 LEU 14 - HD3 LYS 47 lone 2 74 - 2 - HG LEU 42 - HD3 LYS 47 lone 2 88 - 2 - HB VAL 54 - HB3 ARG 91 lone 1 88 - 2 - HB ILE 8 - HB3 ARG 91 lone 1 86 - 1 - HB ILE 8 - HD2 LYS 47 lone 1 93 - 1 - HB ILE 8 - HD3 LYS 47 lone 1 90 - 1 - HB3 LEU 14 - HB3 ARG 91 lone 1 70 - 1 - HB3 GLU 104 - HD2 LYS 20 lone 1 61 - 1 - HB3 GLU 104 - HD3 LYS 20 lone 1 58 - 1 - HB3 LYS 68 - HD2 LYS 47 lone 0 60 - 1 - HB3 LYS 68 - HB3 ARG 91 lone 0 53 - 1 - HB3 LYS 68 - HD3 LYS 47 lone 0 57 - 1 - HB3 GLU 104 - HD2 LYS 47 lone 0 56 - 1 - HB3 GLU 104 - HD3 LYS 47 lone 0 53 - 1 - HB3 GLU 104 - HB3 ARG 91 lone 0 50 - 1 - Peak 907 from cnoeabs.peaks (1.93, 1.68, 29.19 ppm; 3.05 A): 4 out of 55 assignments used, quality = 1.00: * HB3 LYS 20 + HD2 LYS 20 OK 89 100 - 89 - 3.5=64, 876/1.8=8...(38) HB3 LYS 20 + HD3 LYS 20 OK 87 98 - 89 - 3.5=64, 878/1.8=8...(37) HB3 LYS 47 + HD2 LYS 47 OK 72 86 - 84 - 3.9=46, 3.0/2174=8...(45) HB3 LYS 47 + HD3 LYS 47 OK 69 82 - 84 - 3.9=46, 3.0/2174=8...(45) HB3 ARG 19 - HD2 LYS 20 OK 30 99 - 31 - 801/3.5=6, 896/2.8=4...(10) HB3 ARG 19 - HD3 LYS 20 OK 29 96 - 30 - 801/3.5=6, 896/2.8=4...(10) HB2 LYS 94 - HD2 LYS 47 OK 24 80 - 30 - 2171/3.0=4, ~4203=4...(12) HB2 LYS 94 - HD3 LYS 47 OK 23 77 - 30 - 2171/3.0=4, ~4203=4...(12) HB2 LYS 94 - HD2 LYS 20 OK 22 87 - 26 - 2152=2, ~4205=1, ~4206=1...(9) HB3 LYS 47 - HB3 ARG 91 OK 22 78 - 29 - 2150/1.8=3, 4184/3.0=3...(15) HB2 LYS 94 - HD3 LYS 20 OK 21 83 - 25 - 2152=2, ~4205=1, ~4206=1...(8) HB2 GLU 17 - HD2 LYS 20 OK 20 97 - 21 - 896/2.8=3, 885/2.8=3...(8) HB3 LYS 20 - HD2 LYS 47 OK 20 97 - 21 - 877=2, 1.8/865=2...(4) HB3 LYS 20 - HD3 LYS 47 OK 20 94 - 21 - 877=2, 1.8/865=2...(4) HB2 GLU 17 - HD3 LYS 20 OK 19 94 - 21 - 896/2.8=3, 885/2.8=3...(8) HB3 LYS 47 - HD2 LYS 20 OK 18 92 - 19 - 896/2.8=2, 3.0/2174=1...(5) HB2 LYS 13 - HD2 LYS 47 OK 18 60 - 30 - 2171/3.0=2, ~2171=1...(9) HB3 LYS 47 - HD3 LYS 20 OK 17 88 - 19 - 896/2.8=2, 2152=1...(6) HB3 LYS 20 - HB3 ARG 91 OK 16 90 - 18 - ~10992=3, 877=2...(4) HB2 LYS 13 - HD3 LYS 47 OK 15 57 - 28 - 2171/3.0=2, ~2171=1...(8) HB2 MET 1 - HD2 LYS 47 OK 12 92 - 13 - 14/3.9=3 HB2 MET 1 - HD3 LYS 47 OK 12 88 - 13 - 14/3.9=3 HG3 GLU 88 - HB3 ARG 91 poor 9 80 - 11 - 4.2/3871=3, 3.0/12145=2...(4) HB VAL 32 - HD2 LYS 20 lone 9 98 - 9 - 2.1/8946=1, 896/2.8=1, 885/2.8=1 HB VAL 32 - HD3 LYS 20 lone 8 95 - 9 - 2.1/8946=1, 896/2.8=1, 885/2.8=1 HB2 LYS 94 - HB3 ARG 91 poor 7 73 - 10 - ~4196=2, 4184/3.0=2...(4) HB2 MET 1 - HD2 LYS 20 lone 6 97 - 6 - HB2 MET 1 - HD3 LYS 20 lone 6 94 - 6 - HB2 LYS 33 - HD2 LYS 47 lone 4 63 - 6 - HB2 LYS 33 - HD3 LYS 47 lone 4 60 - 6 - HB3 LYS 33 - HD2 LYS 47 lone 3 56 - 6 - HG3 GLU 88 - HD2 LYS 20 lone 3 94 - 3 - HB3 LYS 33 - HD3 LYS 47 lone 3 53 - 6 - HB2 GLU 17 - HD2 LYS 47 lone 3 92 - 3 - HB2 GLU 17 - HD3 LYS 47 lone 3 88 - 3 - HG3 GLU 88 - HD3 LYS 20 lone 3 90 - 3 - HG3 GLU 88 - HD2 LYS 47 lone 3 88 - 3 - HB2 MET 1 - HB3 ARG 91 lone 3 84 - 3 - HG3 GLU 88 - HD3 LYS 47 lone 3 85 - 3 - HB3 ARG 19 - HD2 LYS 47 lone 3 94 - 3 - HB3 ARG 19 - HD3 LYS 47 lone 3 91 - 3 - HB3 ARG 19 - HB3 ARG 91 lone 2 87 - 3 - HB VAL 32 - HB3 ARG 91 lone 2 86 - 3 - HB2 GLU 17 - HB3 ARG 91 lone 2 84 - 2 - HB2 LYS 13 - HB3 ARG 91 lone 2 53 - 3 - HB VAL 32 - HD2 LYS 47 lone 2 93 - 2 - HB VAL 32 - HD3 LYS 47 lone 2 90 - 2 - HB2 LYS 13 - HD2 LYS 20 lone 1 65 - 1 - HB2 LYS 13 - HD3 LYS 20 lone 1 61 - 1 - HB2 LYS 33 - HB3 ARG 91 lone 1 57 - 1 - HB2 LYS 33 - HD2 LYS 20 lone 1 70 - 1 - HB2 LYS 33 - HD3 LYS 20 lone 1 65 - 1 - HB3 LYS 33 - HB3 ARG 91 lone 1 50 - 1 - HB3 LYS 33 - HD2 LYS 20 lone 1 61 - 1 - HB3 LYS 33 - HD3 LYS 20 lone 1 58 - 1 - Peak 908 from cnoeabs.peaks (1.46, 1.68, 29.19 ppm; 2.41 A): 3 out of 70 assignments used, quality = 0.97: * HG2 LYS 20 + HD2 LYS 20 OK 74 100 - 74 - 2.8=60, 887/1.8=5...(16) HG2 LYS 20 + HD3 LYS 20 OK 73 98 - 74 - 2.8=60, 887/1.8=5...(16) HG3 ARG 91 + HB3 ARG 91 OK 62 87 - 71 - 2.8=60, 4055/1.8=11...(9) HG3 ARG 91 - HD2 LYS 47 OK 21 94 - 23 - 4055/3.0=2, 2.8/4028=2...(9) HG3 ARG 91 - HD3 LYS 47 OK 20 91 - 23 - 4055/3.0=2, 2.8/4028=2...(9) HG2 LYS 53 - HD2 LYS 20 OK 17 98 - 18 - 888=1, 897/2.8=1...(6) HB2 LEU 38 - HB3 ARG 91 OK 17 90 - 19 - 4030/1.8=3, 4049/2.8=1 HD2 LYS 53 - HD2 LYS 20 OK 17 100 - 17 - 2440=2, 2440/1.8=2...(4) HG2 LYS 53 - HD3 LYS 20 OK 17 95 - 18 - 887=1, 897/2.8=1...(6) HD2 LYS 53 - HD3 LYS 20 OK 16 98 - 17 - 2440=2, 2440/1.8=2...(4) HG3 LYS 53 - HD2 LYS 20 OK 16 90 - 18 - 2429=2, 897/2.8=1...(4) HG LEU 38 - HB3 ARG 91 OK 16 90 - 18 - 4030/1.8=3, 2.1/12070=2 HG3 LYS 53 - HD3 LYS 20 OK 15 85 - 18 - 2429=1, 897/2.8=1...(4) HG3 ARG 91 - HD2 LYS 20 OK 15 99 - 15 - 897/2.8=1, 1.8/4047=1 HG3 ARG 91 - HD3 LYS 20 OK 14 96 - 15 - 897/2.8=1, 1.8/4047=1 HG2 LYS 53 - HB3 ARG 91 OK 14 86 - 16 - 4030/1.8=2, 888=1, 3.0/2440=1 HG2 LYS 20 - HB3 ARG 91 OK 13 90 - 15 - 4030/1.8=2, 888=2, 4049/2.8=1 HD2 LYS 53 - HB3 ARG 91 OK 12 90 - 14 - 2440=2, 4030/1.8=2, 1.8/2451=1 HG13 ILE 52 - HD2 LYS 20 OK 11 100 - 11 - 897/2.8=1 HG13 ILE 52 - HD3 LYS 20 OK 11 98 - 11 - 897/2.8=1 HD2 LYS 82 - HB3 ARG 91 OK 10 90 - 12 - 4030/1.8=2, 4049/2.8=1 HG2 LYS 20 - HD2 LYS 47 OK 10 97 - 11 - 889=1 HG3 LYS 53 - HB3 ARG 91 OK 10 76 - 14 - 2429=1, 4030/1.8=1, 3.0/2440=1 HG2 LYS 20 - HD3 LYS 47 OK 10 94 - 11 - 889=1 HD2 LYS 40 - HD2 LYS 20 poor 10 97 - 10 - HD3 LYS 40 - HD2 LYS 20 poor 10 96 - 10 - HD2 LYS 40 - HD3 LYS 20 poor 9 94 - 10 - HD3 LYS 40 - HD3 LYS 20 poor 9 92 - 10 - HG13 ILE 52 - HB3 ARG 91 lone 8 90 - 9 - 4030/1.8=1 HG LEU 38 - HD2 LYS 20 lone 7 100 - 7 - HG LEU 38 - HD3 LYS 20 lone 7 98 - 7 - HB2 LEU 38 - HD2 LYS 20 lone 7 100 - 7 - HB2 LEU 38 - HD3 LYS 20 lone 7 98 - 7 - HD2 LYS 40 - HB3 ARG 91 lone 6 84 - 7 - HD3 LYS 40 - HB3 ARG 91 lone 6 82 - 7 - HG13 ILE 52 - HD2 LYS 47 lone 4 97 - 4 - HG13 ILE 52 - HD3 LYS 47 lone 4 94 - 4 - HB2 LEU 27 - HD2 LYS 20 lone 4 100 - 4 - HB2 LEU 27 - HD3 LYS 20 lone 4 98 - 4 - HD2 LYS 53 - HD2 LYS 47 lone 3 96 - 3 - HD2 LYS 53 - HD3 LYS 47 lone 3 93 - 3 - HG2 LYS 53 - HD2 LYS 47 lone 3 93 - 3 - HG2 LYS 53 - HD3 LYS 47 lone 3 90 - 3 - HD2 LYS 40 - HD2 LYS 47 lone 3 92 - 3 - HD3 LYS 40 - HD2 LYS 47 lone 3 90 - 3 - HD2 LYS 40 - HD3 LYS 47 lone 3 88 - 3 - HG3 LYS 53 - HD2 LYS 47 lone 2 83 - 3 - HD3 LYS 40 - HD3 LYS 47 lone 2 87 - 3 - HG3 LYS 53 - HD3 LYS 47 lone 2 80 - 3 - HB2 LEU 38 - HD2 LYS 47 lone 2 96 - 2 - HB2 LEU 38 - HD3 LYS 47 lone 2 93 - 2 - HG LEU 38 - HD2 LYS 47 lone 2 96 - 2 - HB2 LEU 27 - HB3 ARG 91 lone 2 90 - 2 - HG LEU 38 - HD3 LYS 47 lone 2 93 - 2 - HD2 LYS 82 - HD2 LYS 20 lone 2 100 - 2 - HD2 LYS 82 - HD3 LYS 20 lone 2 98 - 2 - HG2 LYS 12 - HB3 ARG 91 lone 2 73 - 2 - HG2 LYS 12 - HD2 LYS 47 lone 2 80 - 2 - HG2 LYS 12 - HD3 LYS 47 lone 1 77 - 2 - HG3 LYS 39 - HB3 ARG 91 lone 1 60 - 2 - HG2 LYS 12 - HD2 LYS 20 lone 1 87 - 1 - HG2 LYS 12 - HD3 LYS 20 lone 1 83 - 1 - HG3 LYS 39 - HD2 LYS 20 lone 1 73 - 1 - HG3 LYS 39 - HD3 LYS 20 lone 1 69 - 1 - HD2 LYS 82 - HD2 LYS 47 lone 1 96 - 1 - HD2 LYS 82 - HD3 LYS 47 lone 1 93 - 1 - HB2 LEU 27 - HD2 LYS 47 lone 1 97 - 1 - HB2 LEU 27 - HD3 LYS 47 lone 0 94 - 1 - HG3 LYS 39 - HD2 LYS 47 lone 0 67 - 0 - HG3 LYS 39 - HD3 LYS 47 lone 0 64 - 0 - Peak 909 from cnoeabs.peaks (1.67, 1.68, 29.19 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD2 LYS 20 + HD2 LYS 20 OK 100 100 - 100 HD3 LYS 20 + HD3 LYS 20 OK 98 98 - 100 HD2 LYS 47 + HD2 LYS 47 OK 93 93 - 100 HD3 LYS 47 + HD3 LYS 47 OK 88 88 - 100 HB3 ARG 91 + HB3 ARG 91 OK 82 82 - 100 Reference assignment not found: HG3 LYS 20 - HD2 LYS 20 Peak 910 from cnoeabs.peaks (1.68, 1.68, 29.19 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HD2 LYS 20 + HD2 LYS 20 OK 100 100 - 100 HD3 LYS 20 + HD3 LYS 20 OK 97 97 - 100 HD2 LYS 47 + HD2 LYS 47 OK 96 96 - 100 HD3 LYS 47 + HD3 LYS 47 OK 92 92 - 100 HB3 ARG 91 + HB3 ARG 91 OK 87 87 - 100 Peak 911 from cnoeabs.peaks (1.67, 1.68, 29.19 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD2 LYS 20 + HD2 LYS 20 OK 100 100 - 100 HD3 LYS 20 + HD3 LYS 20 OK 98 98 - 100 HD2 LYS 47 + HD2 LYS 47 OK 93 93 - 100 HD3 LYS 47 + HD3 LYS 47 OK 88 88 - 100 HB3 ARG 91 + HB3 ARG 91 OK 82 82 - 100 Reference assignment not found: HD3 LYS 20 - HD2 LYS 20 Peak 912 from cnoeabs.peaks (2.91, 1.68, 29.19 ppm; 3.05 A): 4 out of 45 assignments used, quality = 1.00: * HE2 LYS 20 + HD2 LYS 20 OK 100 100 - 100 - 3.0=100 HE3 LYS 20 + HD2 LYS 20 OK 100 100 - 100 - 3.0=100 HE2 LYS 20 + HD3 LYS 20 OK 98 98 - 100 - 3.0=100 HE3 LYS 20 + HD3 LYS 20 OK 98 98 - 100 - 3.0=100 HE3 LYS 94 - HD2 LYS 20 OK 25 100 - 25 - 901/2.8=2, 867/3.5=2...(10) HE2 LYS 94 - HD2 LYS 20 OK 24 96 - 25 - 902/2.8=2, 868/3.5=2...(9) HE3 LYS 94 - HD3 LYS 20 OK 24 98 - 24 - 901/2.8=2, 867/3.5=2...(10) HE2 LYS 94 - HD3 LYS 20 OK 23 92 - 25 - 902/2.8=2, 868/3.5=2...(9) HE3 LYS 68 - HD2 LYS 20 OK 17 99 - 17 - 901/2.8=2, 867/3.5=2...(6) HE2 LYS 68 - HD2 LYS 20 OK 17 100 - 17 - 901/2.8=2, 867/3.5=2...(6) HE2 LYS 68 - HD3 LYS 20 OK 17 98 - 17 - 901/2.8=2, 867/3.5=2...(6) HE3 LYS 68 - HD3 LYS 20 OK 17 97 - 17 - 901/2.8=2, 867/3.5=2...(6) HE3 LYS 94 - HD2 LYS 47 OK 14 96 - 15 - 3.0/2184=2, ~4247=2...(5) HE2 LYS 94 - HD2 LYS 47 OK 14 90 - 16 - 3.0/2184=2, 4258/3.0=2...(4) HE3 LYS 94 - HD3 LYS 47 OK 14 94 - 15 - 3.0/2184=2, ~4247=2...(5) HE2 LYS 94 - HD3 LYS 47 OK 14 87 - 16 - 3.0/2184=2, 4258/3.0=2...(4) HE2 LYS 20 - HB3 ARG 91 OK 10 90 - 12 - HE3 LYS 20 - HB3 ARG 91 OK 10 90 - 12 - HE3 LYS 20 - HD2 LYS 47 lone 9 96 - 9 - HE2 LYS 20 - HD2 LYS 47 lone 9 97 - 9 - HE3 LYS 66 - HB3 ARG 91 poor 9 76 - 12 - ~10781=3 HE3 LYS 20 - HD3 LYS 47 lone 9 94 - 9 - HE2 LYS 20 - HD3 LYS 47 lone 9 94 - 9 - HE2 LYS 66 - HB3 ARG 91 poor 7 57 - 12 - ~10781=3 HE3 LYS 66 - HD2 LYS 20 lone 4 90 - 5 - HE3 LYS 66 - HD3 LYS 20 lone 4 85 - 4 - HE2 LYS 66 - HD2 LYS 20 lone 3 70 - 4 - HE2 LYS 66 - HD3 LYS 20 lone 3 65 - 4 - HE3 LYS 94 - HB3 ARG 91 lone 2 90 - 3 - HE2 LYS 94 - HB3 ARG 91 lone 2 82 - 3 - HB2 ASN 10 - HD2 LYS 47 lone 2 67 - 2 - HB2 ASN 10 - HD3 LYS 47 lone 2 64 - 2 - HE3 LYS 66 - HD2 LYS 47 lone 1 83 - 2 - HE3 LYS 68 - HD2 LYS 47 lone 1 95 - 1 - HE3 LYS 66 - HD3 LYS 47 lone 1 80 - 2 - HE2 LYS 68 - HD2 LYS 47 lone 1 96 - 1 - HE3 LYS 68 - HD3 LYS 47 lone 1 92 - 1 - HE2 LYS 68 - HD3 LYS 47 lone 1 93 - 1 - HB2 ASN 10 - HD2 LYS 20 lone 1 73 - 2 - HE2 LYS 68 - HB3 ARG 91 lone 1 90 - 1 - HB2 ASN 10 - HD3 LYS 20 lone 1 69 - 2 - HE3 LYS 68 - HB3 ARG 91 lone 1 88 - 1 - HE2 LYS 66 - HD2 LYS 47 lone 1 63 - 2 - HB2 ASN 10 - HB3 ARG 91 lone 1 60 - 2 - HE2 LYS 66 - HD3 LYS 47 lone 1 60 - 2 - Peak 913 from cnoeabs.peaks (2.91, 1.68, 29.19 ppm; 3.05 A): 4 out of 45 assignments used, quality = 1.00: * HE3 LYS 20 + HD2 LYS 20 OK 100 100 - 100 - 3.0=100 HE2 LYS 20 + HD2 LYS 20 OK 100 100 - 100 - 3.0=100 HE3 LYS 20 + HD3 LYS 20 OK 98 98 - 100 - 3.0=100 HE2 LYS 20 + HD3 LYS 20 OK 98 98 - 100 - 3.0=100 HE3 LYS 94 - HD2 LYS 20 OK 25 100 - 25 - 902/2.8=2, 868/3.5=2...(10) HE2 LYS 94 - HD2 LYS 20 OK 24 97 - 25 - 902/2.8=2, 868/3.5=2...(9) HE3 LYS 94 - HD3 LYS 20 OK 24 98 - 24 - 902/2.8=2, 868/3.5=2...(10) HE2 LYS 94 - HD3 LYS 20 OK 23 94 - 25 - 902/2.8=2, 868/3.5=2...(9) HE2 LYS 68 - HD2 LYS 20 OK 17 100 - 17 - 901/2.8=2, 867/3.5=2...(6) HE3 LYS 68 - HD2 LYS 20 OK 17 99 - 17 - 901/2.8=2, 867/3.5=2...(6) HE2 LYS 68 - HD3 LYS 20 OK 17 97 - 17 - 901/2.8=2, 867/3.5=2...(6) HE3 LYS 68 - HD3 LYS 20 OK 17 96 - 17 - 901/2.8=2, 867/3.5=2...(6) HE2 LYS 94 - HD2 LYS 47 OK 14 92 - 16 - 4258/3.0=2, 3.0/2184=2...(4) HE3 LYS 94 - HD2 LYS 47 OK 14 96 - 15 - 3.0/2184=2, ~4247=2...(5) HE3 LYS 94 - HD3 LYS 47 OK 14 93 - 15 - 3.0/2184=2, ~4247=2...(5) HE2 LYS 94 - HD3 LYS 47 OK 14 88 - 16 - 4258/3.0=2, 3.0/2184=2...(4) HE3 LYS 20 - HB3 ARG 91 OK 10 90 - 12 - HE2 LYS 20 - HB3 ARG 91 OK 10 90 - 12 - HE3 LYS 20 - HD2 LYS 47 lone 9 97 - 9 - HE2 LYS 20 - HD2 LYS 47 lone 9 96 - 9 - HE3 LYS 20 - HD3 LYS 47 lone 9 94 - 9 - HE2 LYS 20 - HD3 LYS 47 lone 9 94 - 9 - HE3 LYS 66 - HB3 ARG 91 poor 8 73 - 12 - ~10781=3 HE2 LYS 66 - HB3 ARG 91 poor 6 53 - 12 - ~10781=3 HE3 LYS 66 - HD2 LYS 20 lone 4 87 - 5 - HE3 LYS 66 - HD3 LYS 20 lone 4 83 - 4 - HE2 LYS 66 - HD2 LYS 20 lone 3 65 - 4 - HE2 LYS 66 - HD3 LYS 20 lone 3 61 - 4 - HE3 LYS 94 - HB3 ARG 91 lone 2 90 - 3 - HE2 LYS 94 - HB3 ARG 91 lone 2 84 - 3 - HB2 ASN 10 - HD2 LYS 47 lone 2 71 - 2 - HB2 ASN 10 - HD3 LYS 47 lone 2 67 - 2 - HE3 LYS 66 - HD2 LYS 47 lone 1 80 - 2 - HE3 LYS 68 - HD2 LYS 47 lone 1 94 - 1 - HE2 LYS 68 - HD2 LYS 47 lone 1 96 - 1 - HE3 LYS 68 - HD3 LYS 47 lone 1 91 - 1 - HE3 LYS 66 - HD3 LYS 47 lone 1 77 - 2 - HB2 ASN 10 - HD2 LYS 20 lone 1 77 - 2 - HE2 LYS 68 - HD3 LYS 47 lone 1 93 - 1 - HB2 ASN 10 - HD3 LYS 20 lone 1 73 - 2 - HE2 LYS 68 - HB3 ARG 91 lone 1 89 - 1 - HE3 LYS 68 - HB3 ARG 91 lone 1 87 - 1 - HB2 ASN 10 - HB3 ARG 91 lone 1 64 - 2 - HE2 LYS 66 - HD2 LYS 47 lone 1 60 - 2 - HE2 LYS 66 - HD3 LYS 47 lone 1 57 - 2 - Peak 914 from cnoeabs.peaks (7.68, 1.68, 29.19 ppm; 4.99 A): 2 out of 15 assignments used, quality = 0.96: * H MET 21 + HD2 LYS 20 OK 81 100 - 81 - 881/3.5=20, 869/3.5=20...(15) H MET 21 + HD3 LYS 20 OK 79 98 - 81 - 881/3.5=20, 869/3.5=20...(15) HD22 ASN 51 - HB3 ARG 91 OK 40 90 - 45 - ~12239=8, 6850/3.5=7...(15) H SER 85 - HD2 LYS 20 OK 37 99 - 37 - 869/3.5=8, 903/2.8=8...(8) HD22 ASN 51 - HD2 LYS 20 OK 36 100 - 36 - 903/2.8=7, 869/3.5=6...(10) H SER 85 - HD3 LYS 20 OK 36 97 - 37 - 869/3.5=8, 903/2.8=8...(8) HD22 ASN 51 - HD3 LYS 20 OK 35 98 - 36 - 903/2.8=7, 869/3.5=6...(10) H MET 21 - HD2 LYS 47 OK 17 97 - 17 - 3.6/905=2, 4.6/865=2...(7) H MET 21 - HD3 LYS 47 OK 16 94 - 17 - 3.6/905=2, 4.6/865=2...(8) H MET 21 - HB3 ARG 91 OK 16 90 - 18 - 6326/2.8=2, 6329=2...(8) H SER 85 - HB3 ARG 91 OK 11 88 - 12 - 7373/3.0=2, 4.0/9871=2...(4) H SER 85 - HD2 LYS 47 lone 7 95 - 7 - 9860/3.9=2 H SER 85 - HD3 LYS 47 lone 7 92 - 7 - 9860/3.9=2 HD22 ASN 51 - HD2 LYS 47 lone 6 96 - 6 - HD22 ASN 51 - HD3 LYS 47 lone 6 94 - 6 - Peak 915 from cnoeabs.peaks (7.79, 1.67, 29.19 ppm; 4.06 A): 2 out of 42 assignments used, quality = 0.98: * H LYS 20 + HD3 LYS 20 OK 85 100 - 85 - 5.9=32, 893/2.8=18...(23) H LYS 20 + HD2 LYS 20 OK 84 98 - 86 - 5.9=32, 893/2.8=18...(24) H GLU 28 - HD3 LYS 20 OK 19 98 - 20 - 893/2.8=4, 882/2.8=4...(5) H GLU 28 - HD2 LYS 20 OK 19 95 - 20 - 893/2.8=4, 882/2.8=4...(5) H LYS 66 - HD3 LYS 20 OK 15 92 - 17 - 893/2.8=3, 859/3.5=3...(7) H GLU 99 - HD3 LYS 20 OK 15 100 - 15 - 893/2.8=3, 871/3.5=3...(5) H GLU 99 - HD2 LYS 20 OK 15 98 - 15 - 893/2.8=3, 871/3.5=3...(5) H LYS 66 - HD2 LYS 20 OK 15 88 - 17 - 893/2.8=3, 859/3.5=3...(7) H LYS 20 - HD2 LYS 47 OK 13 85 - 15 - 6310=2, 6311/1.8=2...(6) HE ARG 30 - HD3 LYS 20 OK 12 100 - 12 - 893/2.8=3, 871/3.5=2...(5) H LYS 20 - HD3 LYS 47 OK 12 78 - 15 - 6311=2, 6311/1.8=2...(6) HE ARG 30 - HD2 LYS 20 OK 12 97 - 12 - 893/2.8=3, 871/3.5=2...(5) HE ARG 30 - HB3 ARG 91 OK 12 70 - 17 - 11053/3.5=4, ~4032=3...(8) H LYS 20 - HB3 ARG 91 OK 12 71 - 16 - ~10992=6, 6309/2.8=2...(6) H LYS 20 - HD2 LYS 73 lone 6 56 - 9 - 6310=1, 4.5/6327=1 H SER 9 - HD3 LYS 20 lone 5 61 - 8 - 859/3.5=1, 871/3.5=1, 893/2.8=1 H GLU 99 - HB3 ARG 91 lone 5 71 - 7 - 7613/4.3=2, 7607/3.5=2 H SER 9 - HD2 LYS 20 lone 5 58 - 8 - 859/3.5=1, 871/3.5=1, 893/2.8=1 H LYS 20 - HD3 LYS 73 lone 4 44 - 9 - 6310=1, 6312/1.8=1, 4.5/6327=1 H LYS 66 - HB3 ARG 91 lone 3 60 - 5 - H LYS 66 - HD2 LYS 73 lone 2 47 - 5 - 7073/3.0=1 H LYS 66 - HD2 LYS 47 lone 2 73 - 3 - H LYS 66 - HD3 LYS 47 lone 2 67 - 3 - H GLU 99 - HD2 LYS 47 lone 2 84 - 2 - H LYS 66 - HD3 LYS 73 lone 2 36 - 5 - 7073/3.0=1 H GLU 99 - HD3 LYS 47 lone 2 78 - 2 - H GLU 28 - HB3 ARG 91 lone 2 67 - 2 - HE ARG 30 - HD2 LYS 47 lone 1 84 - 1 - HE ARG 30 - HD3 LYS 47 lone 1 77 - 1 - H GLU 28 - HD2 LYS 47 lone 1 80 - 1 - H GLU 28 - HD2 LYS 73 lone 1 53 - 2 - H GLU 99 - HD2 LYS 73 lone 1 56 - 2 - H GLU 28 - HD3 LYS 47 lone 1 74 - 1 - H SER 9 - HD2 LYS 47 lone 1 46 - 2 - H SER 9 - HD3 LYS 47 lone 1 41 - 2 - H GLU 28 - HD3 LYS 73 lone 1 41 - 2 - H GLU 99 - HD3 LYS 73 lone 1 44 - 2 - HE ARG 30 - HD2 LYS 73 lone 1 55 - 1 - H SER 9 - HB3 ARG 91 lone 1 37 - 2 - HE ARG 30 - HD3 LYS 73 lone 1 43 - 1 - H SER 9 - HD2 LYS 73 lone 0 28 - 1 - H SER 9 - HD3 LYS 73 lone 0 21 - 1 - Peak 916 from cnoeabs.peaks (4.05, 1.67, 29.19 ppm; 3.69 A): 2 out of 35 assignments used, quality = 0.99: * HA LYS 20 + HD3 LYS 20 OK 89 100 - 89 - 5.3=34, 883/2.8=13...(40) HA LYS 20 + HD2 LYS 20 OK 87 98 - 89 - 5.3=34, 883/2.8=13...(40) HA GLU 17 - HD3 LYS 20 OK 38 100 - 38 - 733/3.5=8, 732/5.9=7...(9) HA GLU 17 - HD2 LYS 20 OK 38 98 - 39 - 733/3.5=8, 732/5.9=7...(9) HA GLU 16 - HD3 LYS 20 OK 26 97 - 27 - 894/2.8=4, 860/3.5=4...(12) HA GLU 16 - HD2 LYS 20 OK 25 94 - 27 - 894/2.8=4, 860/3.5=4...(12) HB2 SER 49 - HD3 LYS 20 OK 20 98 - 20 - 894/2.8=3, 883/2.8=3...(9) HB2 SER 49 - HD2 LYS 20 OK 20 95 - 21 - 894/2.8=3, 883/2.8=3...(10) HA LYS 20 - HD2 LYS 47 OK 20 85 - 23 - 851=2, 849/1.8=2...(5) HA LYS 20 - HD3 LYS 47 OK 18 78 - 23 - 851=2, 849/1.8=2...(5) HA LYS 20 - HB3 ARG 91 OK 12 71 - 17 - 10992/2.8=4, 848/2.8=2...(6) HA LYS 20 - HD2 LYS 73 poor 6 56 - 11 - 3.6/6327=1, 851=1 HA GLU 17 - HD2 LYS 73 poor 6 56 - 11 - 9582/3.6=2, 9582/3.6=2 HA LYS 20 - HD3 LYS 73 poor 5 44 - 11 - 3.6/6329=1, 851=1 HA GLU 17 - HD3 LYS 73 poor 5 44 - 11 - 9582/3.6=2, 9582/3.6=2 HB3 SER 59 - HD2 LYS 73 poor 4 36 - 11 - 9582/3.6=3, 9582/3.6=3 HB2 SER 49 - HD2 LYS 47 lone 4 80 - 5 - 9062/3.9=2 HB2 SER 49 - HD3 LYS 47 lone 4 74 - 5 - 9062/3.9=2 HB3 SER 59 - HD3 LYS 20 lone 4 77 - 4 - HA GLU 16 - HB3 ARG 91 lone 4 66 - 5 - 10992/2.8=1 HB3 SER 59 - HD2 LYS 20 lone 4 73 - 5 - HA GLU 17 - HD2 LYS 47 lone 3 85 - 4 - HA GLU 16 - HD2 LYS 47 lone 3 79 - 4 - HB3 SER 59 - HD3 LYS 73 poor 3 28 - 11 - 9582/3.6=3, 9582/3.6=3 HA GLU 17 - HD3 LYS 47 lone 3 78 - 4 - HA GLU 16 - HD3 LYS 47 lone 3 73 - 4 - HA GLU 16 - HD2 LYS 73 lone 3 51 - 5 - 9582/3.6=1, 9582/3.6=1 HA GLU 17 - HB3 ARG 91 lone 2 71 - 3 - HB2 SER 49 - HD2 LYS 73 lone 2 53 - 4 - HA GLU 16 - HD3 LYS 73 lone 2 40 - 5 - 9582/3.6=1, 9582/3.6=1 HB2 SER 49 - HB3 ARG 91 lone 2 67 - 3 - HB2 SER 49 - HD3 LYS 73 lone 2 41 - 4 - HB3 SER 59 - HD2 LYS 47 lone 1 59 - 2 - HB3 SER 59 - HD3 LYS 47 lone 1 53 - 2 - HB3 SER 59 - HB3 ARG 91 lone 1 48 - 2 - Peak 917 from cnoeabs.peaks (1.89, 1.67, 29.19 ppm; 3.06 A): 2 out of 63 assignments used, quality = 0.98: * HB2 LYS 20 + HD3 LYS 20 OK 88 100 - 88 - 3.5=65, 1.8/878=8...(36) HB2 LYS 20 + HD2 LYS 20 OK 87 98 - 89 - 3.5=65, 1.8/876=8...(37) HB2 ARG 19 - HD3 LYS 20 OK 31 100 - 31 - 792/3.5=6, 895/2.8=5...(8) HB2 ARG 19 - HD2 LYS 20 OK 30 97 - 31 - 792/3.5=6, 895/2.8=5...(8) HB2 LYS 20 - HD2 LYS 47 OK 17 85 - 20 - 865=2, 865/1.8=2, 1.8/878=2 HB2 LYS 20 - HD3 LYS 47 OK 16 78 - 20 - 865=2, 865/1.8=2, 1.8/877=2 HB2 LYS 20 - HB3 ARG 91 OK 13 71 - 18 - ~10992=3, 865=2...(4) HB VAL 54 - HD3 LYS 20 OK 11 99 - 11 - 895/2.8=2, 2.1/10206=2...(6) HB ILE 8 - HD2 LYS 20 OK 10 95 - 11 - 895/2.8=2, 884/2.8=2, 873/3.5=2 HB VAL 54 - HD2 LYS 20 OK 10 97 - 11 - 895/2.8=2, 2.1/10206=1...(6) HB ILE 8 - HD3 LYS 20 OK 10 98 - 10 - 895/2.8=2, 884/2.8=2, 873/3.5=2 HB3 LYS 68 - HD3 LYS 20 poor 8 65 - 12 - HB3 LYS 68 - HD2 LYS 20 poor 7 61 - 12 - HB2 GLU 43 - HB3 ARG 91 poor 6 42 - 15 - ~4026=1, 12311/3.9=1 HG LEU 42 - HD3 LYS 20 lone 6 97 - 6 - 895/2.8=1 HG LEU 42 - HD2 LYS 20 lone 5 94 - 6 - 895/2.8=1 HB2 GLU 43 - HD3 LYS 20 lone 5 70 - 6 - HB2 LYS 20 - HD2 LYS 73 lone 4 56 - 7 - HB2 GLU 43 - HD2 LYS 20 lone 4 65 - 6 - HB2 LYS 20 - HD3 LYS 73 lone 3 44 - 7 - HB2 GLU 43 - HD2 LYS 47 lone 3 52 - 7 - 4.4/8972=2 HB2 GLU 43 - HD3 LYS 47 lone 3 47 - 7 - 4.4/8972=2 HB3 LEU 14 - HD3 LYS 20 lone 2 84 - 3 - HB3 LEU 14 - HD2 LYS 20 lone 2 80 - 3 - HB2 ARG 19 - HD2 LYS 47 lone 2 84 - 3 - HG LEU 42 - HB3 ARG 91 lone 2 66 - 3 - HB VAL 54 - HD2 LYS 47 lone 2 83 - 2 - HB2 ARG 19 - HD3 LYS 47 lone 2 77 - 3 - HB VAL 54 - HD3 LYS 47 lone 2 77 - 2 - HB2 ARG 19 - HB3 ARG 91 lone 2 70 - 3 - HB3 LEU 14 - HD2 LYS 47 lone 2 65 - 2 - HG LEU 42 - HD2 LYS 47 lone 2 79 - 2 - HB3 LEU 14 - HD3 LYS 47 lone 1 59 - 2 - HG LEU 42 - HD3 LYS 47 lone 1 73 - 2 - HB VAL 54 - HB3 ARG 91 lone 1 70 - 2 - HB2 ARG 19 - HD2 LYS 73 lone 1 55 - 2 - HB VAL 54 - HD2 LYS 73 lone 1 55 - 2 - HB ILE 8 - HD2 LYS 47 lone 1 80 - 1 - HB2 ARG 19 - HD3 LYS 73 lone 1 43 - 2 - HB ILE 8 - HD3 LYS 47 lone 1 74 - 1 - HB VAL 54 - HD3 LYS 73 lone 1 43 - 2 - HB ILE 8 - HB3 ARG 91 lone 1 67 - 1 - HB ILE 8 - HD2 LYS 73 lone 1 53 - 1 - HG LEU 42 - HD2 LYS 73 lone 1 51 - 1 - HB3 GLU 104 - HD3 LYS 20 lone 1 61 - 1 - HB ILE 8 - HD3 LYS 73 lone 1 41 - 1 - HB3 GLU 104 - HD2 LYS 20 lone 1 58 - 1 - HB3 LEU 14 - HB3 ARG 91 lone 1 53 - 1 - HG LEU 42 - HD3 LYS 73 lone 0 40 - 1 - HB2 GLU 43 - HD2 LYS 73 lone 0 32 - 1 - HB3 LYS 68 - HD2 LYS 47 lone 0 49 - 1 - HB3 LYS 68 - HD3 LYS 47 lone 0 44 - 1 - HB3 LYS 68 - HD2 LYS 73 lone 0 30 - 1 - HB3 LYS 68 - HB3 ARG 91 lone 0 39 - 1 - HB2 GLU 43 - HD3 LYS 73 lone 0 25 - 1 - HB3 GLU 104 - HD2 LYS 47 lone 0 46 - 1 - HB3 GLU 104 - HD3 LYS 47 lone 0 41 - 1 - HB3 LYS 68 - HD3 LYS 73 lone 0 23 - 1 - HB3 GLU 104 - HB3 ARG 91 lone 0 37 - 1 - HB3 LEU 14 - HD2 LYS 73 lone 0 41 - 0 - HB3 LEU 14 - HD3 LYS 73 lone 0 32 - 0 - HB3 GLU 104 - HD2 LYS 73 lone 0 28 - 0 - HB3 GLU 104 - HD3 LYS 73 lone 0 21 - 0 - Peak 918 from cnoeabs.peaks (1.93, 1.67, 29.19 ppm; 3.05 A): 4 out of 77 assignments used, quality = 1.00: * HB3 LYS 20 + HD3 LYS 20 OK 89 100 - 89 - 3.5=64, 878/1.8=8...(37) HB3 LYS 20 + HD2 LYS 20 OK 87 98 - 89 - 3.5=64, 878/1.8=8...(38) HB3 LYS 47 + HD2 LYS 47 OK 61 73 - 84 - 3.9=46, 3.0/2174=8...(45) HB3 LYS 47 + HD3 LYS 47 OK 56 67 - 84 - 3.9=46, 3.0/2174=8...(45) HB3 ARG 19 - HD3 LYS 20 OK 30 99 - 31 - 801/3.5=6, 896/2.8=4...(10) HB3 ARG 19 - HD2 LYS 20 OK 29 96 - 31 - 801/3.5=6, 896/2.8=4...(10) HB2 LYS 94 - HD3 LYS 20 OK 22 87 - 25 - 2152=2, ~4205=1, ~4206=1...(8) HB2 LYS 94 - HD2 LYS 20 OK 21 83 - 26 - 2152=2, ~4205=1, ~4206=1...(8) HB2 GLU 17 - HD3 LYS 20 OK 20 97 - 20 - 896/2.8=3, 885/2.8=3...(8) HB2 LYS 94 - HD2 LYS 47 OK 20 68 - 29 - 2171/3.0=4, ~4203=4...(12) HB2 GLU 17 - HD2 LYS 20 OK 19 94 - 21 - 896/2.8=3, 885/2.8=3...(8) HB2 LYS 94 - HD3 LYS 47 OK 18 62 - 29 - 2171/3.0=4, ~4203=4...(12) HB3 LYS 47 - HD3 LYS 20 OK 18 92 - 19 - 896/2.8=2, 2152=1...(6) HB3 LYS 20 - HD2 LYS 47 OK 18 85 - 21 - 876=2, 1.8/865=2...(4) HB3 LYS 47 - HD2 LYS 20 OK 17 88 - 19 - 896/2.8=2, 3.0/2174=1...(5) HB3 LYS 47 - HB3 ARG 91 OK 17 60 - 28 - 2150/1.8=3, 4184/3.0=3...(15) HB3 LYS 20 - HD3 LYS 47 OK 16 78 - 21 - 877=2, 1.8/865=2...(4) HB2 LYS 13 - HD2 LYS 47 OK 14 49 - 30 - 2171/3.0=2, ~2171=1...(9) HB3 LYS 20 - HB3 ARG 91 OK 13 71 - 18 - ~10992=3, 877=2...(4) HB3 LYS 47 - HD2 LYS 73 OK 12 47 - 26 - 2152=2, 2150/3.0=2...(8) HB2 LYS 13 - HD3 LYS 47 OK 12 44 - 27 - 2171/3.0=2, ~2171=1...(8) HB2 MET 1 - HD2 LYS 47 OK 10 79 - 13 - 14/3.9=3 HB3 LYS 47 - HD3 LYS 73 poor 10 36 - 26 - 2150/3.0=2, 2152=1...(7) HB2 MET 1 - HD3 LYS 47 poor 9 73 - 13 - 14/3.9=3 HB VAL 32 - HD3 LYS 20 lone 9 98 - 9 - 2.1/8946=1, 896/2.8=1, 885/2.8=1 HB VAL 32 - HD2 LYS 20 lone 9 95 - 9 - 2.1/8946=1, 896/2.8=1, 885/2.8=1 HG3 GLU 88 - HB3 ARG 91 poor 6 62 - 10 - 4.2/3871=3, ~10306=2...(4) HB2 MET 1 - HD3 LYS 20 lone 6 97 - 6 - HB2 MET 1 - HD2 LYS 20 lone 6 94 - 6 - HB2 LYS 94 - HB3 ARG 91 lone 5 56 - 10 - ~4196=2, 4184/3.0=2...(4) HB2 MET 1 - HD2 LYS 73 lone 5 51 - 9 - 14/3.6=1 HB3 LYS 20 - HD2 LYS 73 lone 4 56 - 8 - HB2 LYS 13 - HD2 LYS 73 poor 4 30 - 13 - HB2 GLU 17 - HD2 LYS 73 lone 4 51 - 7 - HB2 MET 1 - HD3 LYS 73 lone 4 40 - 9 - 14/3.6=1 HB3 LYS 20 - HD3 LYS 73 lone 4 44 - 8 - HB2 LYS 33 - HD2 LYS 47 lone 3 52 - 6 - HG3 GLU 88 - HD3 LYS 20 lone 3 94 - 3 - HB2 LYS 13 - HD3 LYS 73 poor 3 23 - 13 - HG3 GLU 88 - HD2 LYS 20 lone 3 90 - 3 - HB2 LYS 33 - HD3 LYS 47 lone 3 47 - 6 - HB2 GLU 17 - HD3 LYS 73 lone 3 40 - 7 - HB3 LYS 33 - HD2 LYS 47 lone 3 46 - 6 - HB2 GLU 17 - HD2 LYS 47 lone 3 79 - 3 - HB3 LYS 33 - HD3 LYS 47 lone 2 41 - 6 - HB2 GLU 17 - HD3 LYS 47 lone 2 73 - 3 - HB3 ARG 19 - HD2 LYS 47 lone 2 82 - 3 - HG3 GLU 88 - HD2 LYS 47 lone 2 75 - 3 - HB2 MET 1 - HB3 ARG 91 lone 2 66 - 3 - HB3 ARG 19 - HD3 LYS 47 lone 2 75 - 3 - HG3 GLU 88 - HD3 LYS 47 lone 2 69 - 3 - HB2 LYS 94 - HD2 LYS 73 lone 2 43 - 4 - HB3 ARG 19 - HB3 ARG 91 lone 2 69 - 3 - HB VAL 32 - HB3 ARG 91 lone 2 67 - 2 - HB VAL 32 - HD2 LYS 47 lone 2 80 - 2 - HB2 LYS 94 - HD3 LYS 73 lone 1 33 - 4 - HB VAL 32 - HD3 LYS 47 lone 1 74 - 2 - HB2 GLU 17 - HB3 ARG 91 lone 1 66 - 2 - HB2 LYS 13 - HB3 ARG 91 lone 1 39 - 3 - HB VAL 32 - HD2 LYS 73 lone 1 53 - 2 - HB3 ARG 19 - HD2 LYS 73 lone 1 54 - 2 - HB VAL 32 - HD3 LYS 73 lone 1 41 - 2 - HB2 LYS 13 - HD3 LYS 20 lone 1 65 - 1 - HB3 ARG 19 - HD3 LYS 73 lone 1 42 - 2 - HB2 LYS 13 - HD2 LYS 20 lone 1 61 - 1 - HB2 LYS 33 - HD3 LYS 20 lone 1 70 - 1 - HB2 LYS 33 - HD2 LYS 20 lone 1 65 - 1 - HG3 GLU 88 - HD2 LYS 73 lone 1 48 - 1 - HB3 LYS 33 - HD3 LYS 20 lone 1 61 - 1 - HB3 LYS 33 - HD2 LYS 20 lone 1 58 - 1 - HB2 LYS 33 - HB3 ARG 91 lone 0 42 - 1 - HG3 GLU 88 - HD3 LYS 73 lone 0 38 - 1 - HB3 LYS 33 - HB3 ARG 91 lone 0 37 - 1 - HB2 LYS 33 - HD2 LYS 73 lone 0 32 - 1 - HB3 LYS 33 - HD2 LYS 73 lone 0 28 - 1 - HB2 LYS 33 - HD3 LYS 73 lone 0 25 - 1 - HB3 LYS 33 - HD3 LYS 73 lone 0 21 - 1 - Peak 919 from cnoeabs.peaks (1.46, 1.67, 29.19 ppm; 2.41 A): 3 out of 98 assignments used, quality = 0.96: * HG2 LYS 20 + HD3 LYS 20 OK 74 100 - 75 - 2.8=60, 889/1.8=5...(16) HG2 LYS 20 + HD2 LYS 20 OK 73 98 - 74 - 2.8=60, 889/1.8=5...(16) HG3 ARG 91 + HB3 ARG 91 OK 48 69 - 71 - 2.8=60, 4055/1.8=11...(9) HG3 ARG 91 - HD2 LYS 47 OK 18 82 - 22 - 4055/3.0=2, 2.8/4028=2...(8) HG2 LYS 53 - HD3 LYS 20 OK 17 98 - 17 - 887=2, 897/2.8=1...(4) HG3 ARG 91 - HD3 LYS 47 OK 17 75 - 22 - 4055/3.0=2, 2.8/4028=2...(8) HG2 LYS 53 - HD2 LYS 20 OK 16 95 - 17 - 897/2.8=1, 889=1...(6) HD2 LYS 53 - HD3 LYS 20 OK 16 100 - 16 - 2440/1.8=2, 2440=2...(4) HD2 LYS 53 - HD2 LYS 20 OK 16 98 - 16 - 2440=2, 2440/1.8=2...(4) HG3 LYS 53 - HD3 LYS 20 OK 15 90 - 17 - 897/2.8=1, 2429=1, 2429/1.8=1 HG3 LYS 53 - HD2 LYS 20 OK 15 85 - 17 - 897/2.8=1, 2429=1, 3.0/2440=1 HG3 ARG 91 - HD3 LYS 20 OK 14 99 - 15 - 897/2.8=1 HG3 ARG 91 - HD2 LYS 20 OK 14 96 - 15 - 897/2.8=1, 1.8/4047=1 HB2 LEU 38 - HB3 ARG 91 OK 13 71 - 19 - 4030/1.8=3, 4049/2.8=1 HG LEU 38 - HB3 ARG 91 OK 12 71 - 17 - 4030/1.8=3, 2.1/12070=2...(4) HG13 ILE 52 - HD3 LYS 20 OK 12 100 - 12 - 897/2.8=1 HG13 ILE 52 - HD2 LYS 20 OK 11 98 - 12 - 897/2.8=1 HG2 LYS 20 - HB3 ARG 91 OK 10 71 - 15 - 4030/1.8=2, 887=2, 4049/2.8=1 HG2 LYS 53 - HB3 ARG 91 OK 10 67 - 15 - 4030/1.8=2, 888=1 HD2 LYS 40 - HD3 LYS 20 lone 10 97 - 10 - HD3 LYS 40 - HD3 LYS 20 lone 9 96 - 10 - HD2 LYS 40 - HD2 LYS 20 lone 9 94 - 10 - HD2 LYS 53 - HB3 ARG 91 poor 9 71 - 13 - 2440=2, 4030/1.8=2, 1.8/2451=1 HD3 LYS 40 - HD2 LYS 20 lone 9 92 - 10 - HG2 LYS 20 - HD2 LYS 47 poor 9 85 - 11 - 887=1 HG2 LYS 20 - HD3 LYS 47 poor 8 78 - 11 - 889=1 HD2 LYS 82 - HB3 ARG 91 poor 8 71 - 11 - 4030/1.8=2, 4049/2.8=1 HG3 LYS 53 - HB3 ARG 91 poor 7 58 - 13 - 4030/1.8=1, 2429=1 HG LEU 38 - HD3 LYS 20 lone 7 100 - 7 - HG LEU 38 - HD2 LYS 20 lone 7 98 - 7 - HB2 LEU 38 - HD3 LYS 20 lone 7 100 - 7 - HB2 LEU 38 - HD2 LYS 20 lone 7 98 - 7 - HG13 ILE 52 - HB3 ARG 91 lone 6 71 - 9 - 4030/1.8=1 HG13 ILE 52 - HD2 LYS 73 lone 5 56 - 8 - HD2 LYS 40 - HB3 ARG 91 lone 4 66 - 7 - HD3 LYS 40 - HB3 ARG 91 lone 4 64 - 7 - HG13 ILE 52 - HD2 LYS 47 lone 4 85 - 4 - HB2 LEU 27 - HD3 LYS 20 lone 4 100 - 4 - HB2 LEU 27 - HD2 LYS 20 lone 4 98 - 4 - HG13 ILE 52 - HD3 LYS 73 lone 4 44 - 8 - HG13 ILE 52 - HD3 LYS 47 lone 4 78 - 4 - HG2 LYS 12 - HD2 LYS 73 lone 3 43 - 7 - HD2 LYS 53 - HD2 LYS 47 lone 3 84 - 3 - HD2 LYS 53 - HD3 LYS 47 lone 2 78 - 3 - HG3 ARG 91 - HD2 LYS 73 lone 2 54 - 4 - HG2 LYS 53 - HD2 LYS 47 lone 2 80 - 3 - HG2 LYS 12 - HD3 LYS 73 lone 2 33 - 7 - HD2 LYS 40 - HD2 LYS 47 lone 2 79 - 3 - HG2 LYS 53 - HD3 LYS 47 lone 2 74 - 3 - HD3 LYS 40 - HD2 LYS 47 lone 2 77 - 3 - HD2 LYS 40 - HD3 LYS 47 lone 2 73 - 3 - HG3 LYS 53 - HD2 LYS 47 lone 2 70 - 3 - HD3 LYS 40 - HD3 LYS 47 lone 2 71 - 3 - HG2 LYS 20 - HD2 LYS 73 lone 2 56 - 3 - HG3 LYS 53 - HD3 LYS 47 lone 2 64 - 3 - HG3 ARG 91 - HD3 LYS 73 lone 2 42 - 4 - HB2 LEU 38 - HD2 LYS 47 lone 2 84 - 2 - HG LEU 38 - HD2 LYS 47 lone 2 84 - 2 - HD2 LYS 82 - HD3 LYS 20 lone 2 100 - 2 - HD2 LYS 82 - HD2 LYS 20 lone 2 98 - 2 - HB2 LEU 38 - HD3 LYS 47 lone 2 78 - 2 - HG LEU 38 - HD3 LYS 47 lone 2 78 - 2 - HB2 LEU 27 - HB3 ARG 91 lone 2 71 - 2 - HG2 LYS 20 - HD3 LYS 73 lone 2 44 - 3 - HG2 LYS 12 - HD2 LYS 47 lone 1 68 - 2 - HG2 LYS 12 - HB3 ARG 91 lone 1 56 - 2 - HG2 LYS 12 - HD3 LYS 47 lone 1 62 - 2 - HB2 LEU 27 - HD2 LYS 73 lone 1 56 - 2 - HG2 LYS 12 - HD3 LYS 20 lone 1 87 - 1 - HG2 LYS 12 - HD2 LYS 20 lone 1 83 - 1 - HD2 LYS 40 - HD2 LYS 73 lone 1 51 - 2 - HD3 LYS 40 - HD2 LYS 73 lone 1 50 - 2 - HG3 LYS 39 - HD3 LYS 20 lone 1 73 - 1 - HG LEU 38 - HD2 LYS 73 lone 1 56 - 1 - HB2 LEU 27 - HD3 LYS 73 lone 1 44 - 2 - HG3 LYS 39 - HD2 LYS 20 lone 1 69 - 1 - HG3 LYS 39 - HB3 ARG 91 lone 1 45 - 2 - HB2 LEU 38 - HD2 LYS 73 lone 1 56 - 1 - HG LEU 38 - HD3 LYS 73 lone 1 44 - 1 - HD2 LYS 40 - HD3 LYS 73 lone 1 40 - 1 - HD2 LYS 82 - HD2 LYS 47 lone 1 84 - 1 - HD3 LYS 40 - HD3 LYS 73 lone 1 39 - 1 - HD2 LYS 82 - HD3 LYS 47 lone 0 78 - 1 - HB2 LEU 38 - HD3 LYS 73 lone 0 44 - 1 - HB2 LEU 27 - HD2 LYS 47 lone 0 85 - 1 - HG2 LYS 53 - HD2 LYS 73 lone 0 53 - 1 - HB2 LEU 27 - HD3 LYS 47 lone 0 78 - 0 - HD2 LYS 53 - HD2 LYS 73 lone 0 56 - 1 - HG3 LYS 53 - HD2 LYS 73 lone 0 45 - 1 - HG2 LYS 53 - HD3 LYS 73 lone 0 41 - 1 - HD2 LYS 53 - HD3 LYS 73 lone 0 44 - 1 - HG3 LYS 39 - HD2 LYS 73 lone 0 34 - 1 - HG3 LYS 39 - HD2 LYS 47 lone 0 55 - 0 - HG3 LYS 53 - HD3 LYS 73 lone 0 35 - 1 - HG3 LYS 39 - HD3 LYS 47 lone 0 50 - 0 - HD2 LYS 82 - HD2 LYS 73 lone 0 56 - 0 - HG3 LYS 39 - HD3 LYS 73 lone 0 26 - 1 - HD2 LYS 82 - HD3 LYS 73 lone 0 44 - 0 - Peak 920 from cnoeabs.peaks (1.67, 1.67, 29.19 ppm; diagonal): 6 out of 7 assignments used, quality = 1.00: HD3 LYS 20 + HD3 LYS 20 OK 100 100 - 100 HD2 LYS 20 + HD2 LYS 20 OK 97 97 - 100 HD2 LYS 47 + HD2 LYS 47 OK 80 80 - 100 HD3 LYS 47 + HD3 LYS 47 OK 73 73 - 100 HB3 ARG 91 + HB3 ARG 91 OK 64 64 - 100 HD2 LYS 73 + HD2 LYS 73 OK 51 51 - 100 HD3 LYS 73 - HD3 LYS 73 OK 38 38 - 100 Reference assignment not found: HG3 LYS 20 - HD3 LYS 20 Peak 921 from cnoeabs.peaks (1.68, 1.67, 29.19 ppm; diagonal): 6 out of 7 assignments used, quality = 1.00: HD3 LYS 20 + HD3 LYS 20 OK 100 100 - 100 HD2 LYS 20 + HD2 LYS 20 OK 98 98 - 100 HD2 LYS 47 + HD2 LYS 47 OK 84 84 - 100 HD3 LYS 47 + HD3 LYS 47 OK 77 77 - 100 HB3 ARG 91 + HB3 ARG 91 OK 69 69 - 100 HD2 LYS 73 + HD2 LYS 73 OK 47 47 - 100 HD3 LYS 73 - HD3 LYS 73 OK 33 33 - 100 Reference assignment not found: HD2 LYS 20 - HD3 LYS 20 Peak 922 from cnoeabs.peaks (1.67, 1.67, 29.19 ppm; diagonal): 6 out of 7 assignments used, quality = 1.00: * HD3 LYS 20 + HD3 LYS 20 OK 100 100 - 100 HD2 LYS 20 + HD2 LYS 20 OK 97 97 - 100 HD2 LYS 47 + HD2 LYS 47 OK 80 80 - 100 HD3 LYS 47 + HD3 LYS 47 OK 73 73 - 100 HB3 ARG 91 + HB3 ARG 91 OK 64 64 - 100 HD2 LYS 73 + HD2 LYS 73 OK 51 51 - 100 HD3 LYS 73 - HD3 LYS 73 OK 38 38 - 100 Peak 923 from cnoeabs.peaks (2.91, 1.67, 29.19 ppm; 3.05 A): 4 out of 63 assignments used, quality = 1.00: * HE2 LYS 20 + HD3 LYS 20 OK 100 100 - 100 - 3.0=100 HE3 LYS 20 + HD3 LYS 20 OK 100 100 - 100 - 3.0=100 HE2 LYS 20 + HD2 LYS 20 OK 98 98 - 100 - 3.0=100 HE3 LYS 20 + HD2 LYS 20 OK 98 98 - 100 - 3.0=100 HE3 LYS 94 - HD3 LYS 20 OK 24 100 - 24 - 901/2.8=2, 867/3.5=2...(9) HE3 LYS 94 - HD2 LYS 20 OK 24 98 - 25 - 901/2.8=2, 867/3.5=2...(10) HE2 LYS 94 - HD3 LYS 20 OK 23 96 - 25 - 902/2.8=2, 868/3.5=2...(8) HE2 LYS 94 - HD2 LYS 20 OK 23 92 - 25 - 902/2.8=2, 868/3.5=2...(9) HE3 LYS 68 - HD3 LYS 20 OK 17 99 - 17 - 901/2.8=2, 867/3.5=2...(6) HE2 LYS 68 - HD3 LYS 20 OK 17 100 - 17 - 901/2.8=2, 867/3.5=2...(6) HE2 LYS 68 - HD2 LYS 20 OK 17 98 - 17 - 901/2.8=2, 867/3.5=2...(6) HE3 LYS 68 - HD2 LYS 20 OK 17 97 - 17 - 901/2.8=2, 867/3.5=2...(6) HE3 LYS 94 - HD2 LYS 47 OK 12 85 - 15 - ~4247=2, 3.0/2184=2...(5) HE2 LYS 94 - HD2 LYS 47 OK 12 77 - 15 - 4258/3.0=2, ~4247=2...(4) HE3 LYS 94 - HD3 LYS 47 OK 11 78 - 15 - ~4247=2, 3.0/2184=2...(5) HE2 LYS 94 - HD3 LYS 47 OK 11 71 - 15 - 4258/3.0=2, ~4247=2...(4) HE2 LYS 20 - HB3 ARG 91 poor 8 71 - 12 - HE3 LYS 20 - HB3 ARG 91 poor 8 71 - 12 - HE2 LYS 20 - HD2 LYS 47 lone 8 85 - 9 - HE3 LYS 20 - HD2 LYS 47 lone 8 85 - 9 - HE2 LYS 20 - HD3 LYS 47 lone 7 78 - 9 - HE3 LYS 20 - HD3 LYS 47 lone 7 78 - 9 - HE3 LYS 66 - HB3 ARG 91 poor 7 58 - 11 - ~10781=3 HE2 LYS 66 - HB3 ARG 91 poor 5 42 - 11 - ~10781=3 HE3 LYS 66 - HD3 LYS 20 lone 4 90 - 4 - HE3 LYS 66 - HD2 LYS 20 lone 4 85 - 5 - HE2 LYS 66 - HD3 LYS 20 lone 3 70 - 4 - HE2 LYS 66 - HD2 LYS 20 lone 3 65 - 4 - HE3 LYS 66 - HD2 LYS 73 lone 3 45 - 6 - HE3 LYS 66 - HD3 LYS 73 lone 2 35 - 6 - HE2 LYS 66 - HD2 LYS 73 lone 2 32 - 6 - HE3 LYS 94 - HB3 ARG 91 lone 2 71 - 3 - HE2 LYS 94 - HB3 ARG 91 lone 2 64 - 3 - HE2 LYS 20 - HD2 LYS 73 lone 2 56 - 3 - HE3 LYS 20 - HD2 LYS 73 lone 2 56 - 3 - HE2 LYS 66 - HD3 LYS 73 lone 2 25 - 6 - HB2 ASN 10 - HD2 LYS 47 lone 1 55 - 2 - HE2 LYS 20 - HD3 LYS 73 lone 1 44 - 3 - HE3 LYS 20 - HD3 LYS 73 lone 1 44 - 3 - HB2 ASN 10 - HD3 LYS 20 lone 1 73 - 2 - HB2 ASN 10 - HD3 LYS 47 lone 1 50 - 2 - HE3 LYS 68 - HD2 LYS 47 lone 1 83 - 1 - HE3 LYS 66 - HD2 LYS 47 lone 1 70 - 2 - HB2 ASN 10 - HD2 LYS 20 lone 1 69 - 2 - HE2 LYS 68 - HD2 LYS 47 lone 1 84 - 1 - HE3 LYS 94 - HD2 LYS 73 lone 1 56 - 2 - HE3 LYS 68 - HD3 LYS 47 lone 1 77 - 1 - HE3 LYS 66 - HD3 LYS 47 lone 1 64 - 2 - HE2 LYS 94 - HD2 LYS 73 lone 1 50 - 2 - HE2 LYS 68 - HD3 LYS 47 lone 1 78 - 1 - HE2 LYS 68 - HB3 ARG 91 lone 1 71 - 1 - HE3 LYS 94 - HD3 LYS 73 lone 1 44 - 2 - HE3 LYS 68 - HB3 ARG 91 lone 1 70 - 1 - HE2 LYS 94 - HD3 LYS 73 lone 1 39 - 2 - HE2 LYS 66 - HD2 LYS 47 lone 1 52 - 1 - HE2 LYS 66 - HD3 LYS 47 lone 1 47 - 1 - HB2 ASN 10 - HB3 ARG 91 lone 1 45 - 2 - HE2 LYS 68 - HD2 LYS 73 lone 1 56 - 1 - HE3 LYS 68 - HD2 LYS 73 lone 1 55 - 1 - HE2 LYS 68 - HD3 LYS 73 lone 0 44 - 1 - HE3 LYS 68 - HD3 LYS 73 lone 0 43 - 1 - HB2 ASN 10 - HD2 LYS 73 lone 0 34 - 1 - HB2 ASN 10 - HD3 LYS 73 lone 0 26 - 1 - Peak 924 from cnoeabs.peaks (2.91, 1.67, 29.19 ppm; 3.05 A): 4 out of 63 assignments used, quality = 1.00: * HE3 LYS 20 + HD3 LYS 20 OK 100 100 - 100 - 3.0=100 HE2 LYS 20 + HD3 LYS 20 OK 100 100 - 100 - 3.0=100 HE3 LYS 20 + HD2 LYS 20 OK 98 98 - 100 - 3.0=100 HE2 LYS 20 + HD2 LYS 20 OK 98 98 - 100 - 3.0=100 HE3 LYS 94 - HD3 LYS 20 OK 24 100 - 24 - 902/2.8=2, 868/3.5=2...(9) HE2 LYS 94 - HD3 LYS 20 OK 24 97 - 25 - 902/2.8=2, 868/3.5=2...(8) HE3 LYS 94 - HD2 LYS 20 OK 24 98 - 25 - 902/2.8=2, 868/3.5=2...(10) HE2 LYS 94 - HD2 LYS 20 OK 23 94 - 25 - 902/2.8=2, 868/3.5=2...(9) HE2 LYS 68 - HD3 LYS 20 OK 17 100 - 17 - 901/2.8=2, 867/3.5=2...(6) HE3 LYS 68 - HD3 LYS 20 OK 17 99 - 17 - 901/2.8=2, 867/3.5=2...(6) HE2 LYS 68 - HD2 LYS 20 OK 17 97 - 17 - 901/2.8=2, 867/3.5=2...(6) HE3 LYS 68 - HD2 LYS 20 OK 17 96 - 17 - 901/2.8=2, 867/3.5=2...(6) HE3 LYS 94 - HD2 LYS 47 OK 12 84 - 15 - ~4247=2, 3.0/2184=2...(5) HE2 LYS 94 - HD2 LYS 47 OK 12 79 - 15 - 4258/3.0=2, ~4247=2...(4) HE3 LYS 94 - HD3 LYS 47 OK 11 78 - 15 - ~4247=2, 3.0/2184=2...(5) HE2 LYS 94 - HD3 LYS 47 OK 11 73 - 15 - 4258/3.0=2, ~4247=2...(4) HE3 LYS 20 - HB3 ARG 91 poor 8 71 - 12 - HE2 LYS 20 - HB3 ARG 91 poor 8 71 - 12 - HE3 LYS 20 - HD2 LYS 47 lone 8 85 - 9 - HE2 LYS 20 - HD2 LYS 47 lone 8 85 - 9 - HE3 LYS 20 - HD3 LYS 47 lone 7 78 - 9 - HE2 LYS 20 - HD3 LYS 47 lone 7 78 - 9 - HE3 LYS 66 - HB3 ARG 91 poor 6 56 - 11 - ~10781=3 HE2 LYS 66 - HB3 ARG 91 poor 5 39 - 11 - ~10781=3 HE3 LYS 66 - HD3 LYS 20 lone 4 87 - 4 - HE3 LYS 66 - HD2 LYS 20 lone 4 83 - 5 - HE2 LYS 66 - HD3 LYS 20 lone 3 65 - 4 - HE3 LYS 66 - HD2 LYS 73 lone 3 43 - 6 - HE2 LYS 66 - HD2 LYS 20 lone 3 61 - 4 - HE3 LYS 66 - HD3 LYS 73 lone 2 33 - 6 - HE3 LYS 94 - HB3 ARG 91 lone 2 71 - 3 - HE2 LYS 66 - HD2 LYS 73 lone 2 30 - 6 - HE2 LYS 94 - HB3 ARG 91 lone 2 66 - 3 - HE3 LYS 20 - HD2 LYS 73 lone 2 56 - 3 - HE2 LYS 20 - HD2 LYS 73 lone 2 56 - 3 - HB2 ASN 10 - HD2 LYS 47 lone 1 59 - 2 - HE2 LYS 66 - HD3 LYS 73 lone 1 23 - 6 - HB2 ASN 10 - HD3 LYS 20 lone 1 77 - 2 - HE3 LYS 20 - HD3 LYS 73 lone 1 44 - 3 - HE2 LYS 20 - HD3 LYS 73 lone 1 44 - 3 - HB2 ASN 10 - HD3 LYS 47 lone 1 53 - 2 - HB2 ASN 10 - HD2 LYS 20 lone 1 73 - 2 - HE3 LYS 68 - HD2 LYS 47 lone 1 82 - 1 - HE2 LYS 68 - HD2 LYS 47 lone 1 84 - 1 - HE3 LYS 94 - HD2 LYS 73 lone 1 56 - 2 - HE3 LYS 66 - HD2 LYS 47 lone 1 68 - 2 - HE2 LYS 94 - HD2 LYS 73 lone 1 51 - 2 - HE3 LYS 68 - HD3 LYS 47 lone 1 75 - 1 - HE2 LYS 68 - HD3 LYS 47 lone 1 77 - 1 - HE3 LYS 66 - HD3 LYS 47 lone 1 62 - 2 - HE3 LYS 94 - HD3 LYS 73 lone 1 44 - 2 - HE2 LYS 68 - HB3 ARG 91 lone 1 70 - 1 - HE2 LYS 94 - HD3 LYS 73 lone 1 40 - 2 - HE3 LYS 68 - HB3 ARG 91 lone 1 69 - 1 - HB2 ASN 10 - HB3 ARG 91 lone 1 48 - 2 - HE2 LYS 66 - HD2 LYS 47 lone 1 49 - 1 - HE2 LYS 66 - HD3 LYS 47 lone 1 44 - 1 - HE2 LYS 68 - HD2 LYS 73 lone 1 55 - 1 - HE3 LYS 68 - HD2 LYS 73 lone 1 54 - 1 - HE2 LYS 68 - HD3 LYS 73 lone 0 43 - 1 - HE3 LYS 68 - HD3 LYS 73 lone 0 42 - 1 - HB2 ASN 10 - HD2 LYS 73 lone 0 36 - 1 - HB2 ASN 10 - HD3 LYS 73 lone 0 28 - 1 - Peak 925 from cnoeabs.peaks (7.68, 1.67, 29.19 ppm; 4.99 A): 2 out of 21 assignments used, quality = 0.96: * H MET 21 + HD3 LYS 20 OK 81 100 - 81 - 881/3.5=20, 869/3.5=20...(15) H MET 21 + HD2 LYS 20 OK 79 98 - 81 - 881/3.5=20, 869/3.5=20...(15) H SER 85 - HD3 LYS 20 OK 37 99 - 37 - 869/3.5=8, 903/2.8=8...(8) H SER 85 - HD2 LYS 20 OK 36 97 - 37 - 869/3.5=8, 903/2.8=8...(8) HD22 ASN 51 - HD3 LYS 20 OK 36 100 - 35 - 903/2.8=7, 869/3.5=6...(10) HD22 ASN 51 - HD2 LYS 20 OK 35 98 - 36 - 903/2.8=7, 869/3.5=6...(10) HD22 ASN 51 - HB3 ARG 91 OK 32 71 - 44 - ~12239=8, 6850/3.5=7...(15) H MET 21 - HD2 LYS 47 OK 14 85 - 17 - 3.6/905=2, 4.6/865=2...(7) H MET 21 - HD2 LYS 73 OK 14 56 - 24 - 6335/3.0=3, 6335/3.0=2...(11) H MET 21 - HD3 LYS 47 OK 13 78 - 17 - 3.6/905=2, 4.6/865=2...(7) H MET 21 - HB3 ARG 91 OK 12 71 - 17 - 6326/2.8=2, 6329=2...(7) HD22 ASN 51 - HD2 LYS 73 OK 11 56 - 19 - ~10634=3, 6849/3.0=3...(6) H MET 21 - HD3 LYS 73 OK 11 44 - 24 - 6335/3.0=3, 6335/3.0=2...(10) HD22 ASN 51 - HD3 LYS 73 poor 8 44 - 17 - 6849/3.0=3, 6849/3.0=2...(5) H SER 85 - HB3 ARG 91 poor 7 70 - 11 - 7373/3.0=2, 4.0/9871=2...(4) H SER 85 - HD2 LYS 47 lone 5 83 - 7 - 9860/3.9=2 HD22 ASN 51 - HD2 LYS 47 lone 5 85 - 6 - H SER 85 - HD3 LYS 47 lone 5 77 - 7 - 9860/3.9=2 HD22 ASN 51 - HD3 LYS 47 lone 5 78 - 6 - H SER 85 - HD2 LYS 73 lone 4 55 - 7 - 9860/3.6=2, 9860/3.6=2 H SER 85 - HD3 LYS 73 lone 3 43 - 7 - 9860/3.6=2, 9860/3.6=2 Peak 926 from cnoeabs.peaks (7.79, 2.91, 41.80 ppm; 4.56 A): 2 out of 36 assignments used, quality = 0.98: * H LYS 20 + HE2 LYS 20 OK 85 100 - 85 - 7.3=25, 893/3.6=19...(22) H LYS 20 + HE3 LYS 20 OK 85 100 - 85 - 7.3=25, 893/3.6=19...(22) H LYS 66 - HE2 LYS 68 OK 39 90 - 44 - 7078/7.2=6, 7076/1.8=4...(19) H LYS 66 - HE3 LYS 68 OK 37 84 - 44 - 7078/7.2=6, 7076=4...(19) H LYS 20 - HE3 LYS 94 OK 36 100 - 36 - 6314=5, 6314/1.8=4...(14) H LYS 20 - HE2 LYS 68 OK 35 99 - 36 - 6314=5, 6313/1.8=4...(15) H LYS 20 - HE3 LYS 68 OK 34 96 - 36 - 6313=5, 6314/1.8=4...(15) H LYS 20 - HE2 LYS 94 OK 27 73 - 36 - 6314=5, 6314/1.8=4...(14) H LYS 66 - HE2 LYS 20 OK 24 92 - 26 - 893/3.6=3, 882/3.6=3...(10) H LYS 66 - HE3 LYS 20 OK 24 91 - 26 - 893/3.6=3, 882/3.6=3...(10) H GLU 28 - HE2 LYS 20 OK 22 98 - 22 - 893/3.6=4, 882/3.6=4...(7) H GLU 28 - HE3 LYS 20 OK 22 98 - 22 - 893/3.6=4, 882/3.6=4...(7) H LYS 66 - HE3 LYS 94 OK 18 91 - 20 - 7073/3.0=2, 7076=2...(10) H GLU 99 - HE2 LYS 20 OK 17 100 - 16 - 893/3.6=3, 859/4.7=3...(7) H GLU 99 - HE3 LYS 20 OK 16 100 - 16 - 893/3.6=3, 859/4.7=3...(7) HE ARG 30 - HE2 LYS 20 OK 14 100 - 14 - 893/3.6=3, 882/3.6=2...(6) HE ARG 30 - HE3 LYS 20 OK 14 100 - 14 - 893/3.6=3, 882/3.6=2...(6) H GLU 28 - HE2 LYS 68 OK 11 97 - 12 - 6450/3.6=2, 7101/7.2=2...(5) H LYS 66 - HE2 LYS 94 OK 11 62 - 18 - 7073/3.0=2, 7076/1.8=2...(6) H GLU 28 - HE3 LYS 68 OK 11 92 - 12 - 6450/3.6=2, 7101/7.2=2...(5) H GLU 28 - HE3 LYS 94 poor 10 98 - 10 - 6451/3.0=2, 6450/3.9=2 HE ARG 30 - HE3 LYS 94 lone 8 100 - 8 - ~1367=2, ~1358=2...(4) H GLU 28 - HE2 LYS 94 lone 6 69 - 9 - 6451/3.0=2, 6450/3.9=2 H SER 9 - HE2 LYS 20 lone 5 61 - 9 - 893/3.6=1, 859/4.7=1...(4) HE ARG 30 - HE2 LYS 94 lone 5 72 - 7 - ~1367=2, ~1358=2, 5.0/4257=1 H SER 9 - HE3 LYS 20 lone 5 61 - 9 - 893/3.6=1, 859/4.7=1...(4) H GLU 99 - HE2 LYS 68 lone 5 99 - 5 - 7601/6.3=1 H GLU 99 - HE3 LYS 68 lone 4 95 - 5 - 7601/6.3=1 H GLU 99 - HE3 LYS 94 lone 3 100 - 3 - HE ARG 30 - HE2 LYS 68 lone 3 99 - 3 - HE ARG 30 - HE3 LYS 68 lone 3 95 - 3 - H SER 9 - HE2 LYS 68 lone 2 60 - 4 - H SER 9 - HE3 LYS 68 lone 2 55 - 4 - H GLU 99 - HE2 LYS 94 lone 2 73 - 3 - H SER 9 - HE3 LYS 94 lone 2 61 - 3 - H SER 9 - HE2 LYS 94 lone 1 38 - 3 - Peak 927 from cnoeabs.peaks (4.05, 2.91, 41.80 ppm; 3.61 A): 2 out of 30 assignments used, quality = 0.95: * HA LYS 20 + HE2 LYS 20 OK 78 100 - 78 - 6.3=18, 883/3.6=10...(39) HA LYS 20 + HE3 LYS 20 OK 78 100 - 78 - 6.3=18, 883/3.6=10...(39) HA LYS 20 - HE3 LYS 94 OK 33 100 - 33 - 3.0/867=3, 3.0/879=3...(16) HA LYS 20 - HE2 LYS 68 OK 30 99 - 30 - 3.0/867=3, 3.0/879=3...(14) HA LYS 20 - HE3 LYS 68 OK 29 96 - 30 - 3.0/867=3, 3.0/879=3...(14) HA GLU 17 - HE2 LYS 20 OK 29 100 - 29 - 894/3.6=5, 733/4.7=5...(7) HA GLU 17 - HE3 LYS 20 OK 29 100 - 29 - 894/3.6=5, 733/4.7=5...(7) HA LYS 20 - HE2 LYS 94 OK 25 73 - 34 - 3.0/868=3, 3.0/880=3...(16) HA GLU 16 - HE2 LYS 20 OK 22 97 - 22 - 894/3.6=3, 883/3.6=3...(11) HA GLU 16 - HE3 LYS 20 OK 22 97 - 22 - 894/3.6=3, 883/3.6=3...(11) HB2 SER 49 - HE2 LYS 20 OK 13 98 - 13 - 894/3.6=3, 883/3.6=2...(7) HB2 SER 49 - HE3 LYS 20 OK 13 98 - 13 - 894/3.6=3, 883/3.6=2...(7) HA GLU 17 - HE3 LYS 94 lone 9 100 - 9 - HA GLU 17 - HE2 LYS 94 lone 7 73 - 9 - HB2 SER 49 - HE3 LYS 94 lone 3 98 - 3 - HA GLU 16 - HE3 LYS 94 lone 3 97 - 3 - HA GLU 17 - HE2 LYS 68 lone 3 99 - 3 - HA GLU 17 - HE3 LYS 68 lone 3 96 - 3 - HB3 SER 59 - HE2 LYS 20 lone 3 77 - 3 - HB3 SER 59 - HE3 LYS 20 lone 3 77 - 3 - HA GLU 16 - HE2 LYS 68 lone 3 96 - 3 - HA GLU 16 - HE3 LYS 68 lone 3 90 - 3 - HB2 SER 49 - HE2 LYS 94 lone 2 69 - 3 - HA GLU 16 - HE2 LYS 94 lone 2 68 - 3 - HB2 SER 49 - HE2 LYS 68 lone 2 97 - 2 - HB2 SER 49 - HE3 LYS 68 lone 2 92 - 2 - HB3 SER 59 - HE3 LYS 94 lone 1 77 - 1 - HB3 SER 59 - HE2 LYS 68 lone 1 75 - 1 - HB3 SER 59 - HE3 LYS 68 lone 1 70 - 1 - HB3 SER 59 - HE2 LYS 94 lone 0 49 - 1 - Peak 928 from cnoeabs.peaks (1.89, 2.91, 41.80 ppm; 3.59 A): 4 out of 54 assignments used, quality = 0.99: * HB2 LYS 20 + HE2 LYS 20 OK 85 100 - 85 - 4.7=44, 868/1.8=8...(48) HB2 LYS 20 + HE3 LYS 20 OK 85 100 - 85 - 4.7=44, 868/1.8=8...(48) HB3 LYS 68 + HE2 LYS 68 OK 50 64 - 79 - 5.0=37, 1.8/3006=6...(45) HB3 LYS 68 + HE3 LYS 68 OK 46 58 - 79 - 5.0=37, 1.8/3006=6...(47) HB2 LYS 20 - HE3 LYS 94 OK 40 100 - 40 - 867=4, 868/1.8=4...(19) HB2 LYS 20 - HE2 LYS 68 OK 35 99 - 35 - 867=4, 867/1.8=3...(18) HB2 LYS 20 - HE3 LYS 68 OK 34 96 - 36 - 867=4, 867/1.8=3...(18) HB2 ARG 19 - HE2 LYS 20 OK 32 100 - 33 - 895/3.6=6, 792/4.7=5...(8) HB2 ARG 19 - HE3 LYS 20 OK 32 100 - 33 - 895/3.6=6, 792/4.7=5...(8) HB2 LYS 20 - HE2 LYS 94 OK 30 73 - 41 - 868=4, 868/1.8=4...(20) HB3 LYS 68 - HE3 LYS 94 OK 22 65 - 34 - 1.8/3006=3, 2.9/3029=3...(17) HB3 LYS 68 - HE2 LYS 20 OK 17 65 - 26 - 1.8/3006=2, 2.9/3029=2...(7) HB3 LYS 68 - HE3 LYS 20 OK 17 65 - 26 - 1.8/3006=2, 2.9/3029=2...(7) HB2 ARG 19 - HE3 LYS 94 OK 15 100 - 15 - 793/3.0=2, 4.1/6314=1...(5) HB3 LYS 68 - HE2 LYS 94 OK 14 41 - 35 - 1.8/3006=3, 2.9/3029=3...(15) HB2 ARG 19 - HE2 LYS 68 OK 11 99 - 11 - 790/6.3=2, 4.1/6314=1 HB ILE 8 - HE2 LYS 20 OK 11 98 - 11 - 895/3.6=3, 884/3.6=2, 873/4.7=2 HB ILE 8 - HE3 LYS 20 OK 11 98 - 11 - 895/3.6=3, 884/3.6=2, 873/4.7=2 HB2 ARG 19 - HE3 LYS 68 OK 11 95 - 11 - 790/6.3=2, 4.1/6313=1 HB2 ARG 19 - HE2 LYS 94 OK 10 72 - 14 - 793/3.0=2, 4.1/6314=1...(5) HB VAL 54 - HE2 LYS 20 lone 9 99 - 9 - 895/3.6=2, 884/3.6=2, ~10206=1 HB VAL 54 - HE3 LYS 20 lone 9 99 - 9 - 895/3.6=2, 884/3.6=2, ~10206=1 HB2 GLU 43 - HE3 LYS 94 lone 6 69 - 8 - 1.8/10530=1 HG LEU 42 - HE2 LYS 20 lone 5 97 - 5 - 895/3.6=1 HG LEU 42 - HE3 LYS 20 lone 5 97 - 5 - 895/3.6=1 HB2 GLU 43 - HE2 LYS 20 lone 5 70 - 6 - HB2 GLU 43 - HE3 LYS 20 lone 5 69 - 6 - HB VAL 54 - HE2 LYS 68 lone 5 98 - 5 - HB VAL 54 - HE3 LYS 68 lone 4 94 - 5 - HB2 GLU 43 - HE2 LYS 94 lone 3 44 - 8 - HB ILE 8 - HE3 LYS 94 lone 3 98 - 3 - HG LEU 42 - HE2 LYS 68 lone 3 96 - 3 - 1934/7.2=1 HB2 GLU 43 - HE2 LYS 68 lone 3 68 - 4 - HG LEU 42 - HE3 LYS 68 lone 3 90 - 3 - 1934/7.2=1 HB3 LEU 14 - HE2 LYS 20 lone 3 84 - 3 - HB2 GLU 43 - HE3 LYS 68 lone 3 62 - 4 - HB3 LEU 14 - HE3 LYS 20 lone 3 83 - 3 - HG LEU 42 - HE3 LYS 94 lone 3 97 - 3 - HB ILE 8 - HE2 LYS 68 lone 2 97 - 2 - HB3 LEU 14 - HE2 LYS 68 lone 2 82 - 3 - HB ILE 8 - HE2 LYS 94 lone 2 69 - 3 - HB ILE 8 - HE3 LYS 68 lone 2 92 - 2 - HB3 LEU 14 - HE3 LYS 68 lone 2 76 - 3 - HG LEU 42 - HE2 LYS 94 lone 2 68 - 3 - HB VAL 54 - HE3 LYS 94 lone 2 99 - 2 - HB3 LEU 14 - HE3 LYS 94 lone 1 83 - 2 - HB3 GLU 104 - HE2 LYS 68 lone 1 60 - 2 - HB3 GLU 104 - HE3 LYS 68 lone 1 55 - 2 - HB VAL 54 - HE2 LYS 94 lone 1 71 - 2 - HB3 GLU 104 - HE3 LYS 94 lone 1 61 - 2 - HB3 LEU 14 - HE2 LYS 94 lone 1 55 - 2 - HB3 GLU 104 - HE2 LYS 20 lone 1 61 - 1 - HB3 GLU 104 - HE3 LYS 20 lone 1 61 - 1 - HB3 GLU 104 - HE2 LYS 94 lone 1 38 - 2 - Peak 929 from cnoeabs.peaks (1.93, 2.91, 41.80 ppm; 3.72 A): 6 out of 66 assignments used, quality = 1.00: * HB3 LYS 20 + HE2 LYS 20 OK 89 100 - 89 - 4.7=49, 1.8/868=8...(46) HB3 LYS 20 + HE3 LYS 20 OK 89 100 - 89 - 4.7=49, 1.8/868=8...(46) HB2 LYS 94 + HE3 LYS 94 OK 73 86 - 85 - 4.8=47, 3.5/4239=9...(28) HB2 LYS 94 + HE2 LYS 94 OK 48 57 - 84 - 4.8=47, 3.5/4238=8...(31) HB2 LYS 94 + HE2 LYS 20 OK 47 87 - 54 - 1.8/4206=5, ~4205=3...(33) HB2 LYS 94 + HE3 LYS 20 OK 46 86 - 53 - 1.8/4206=5, ~4205=3...(32) HB3 LYS 20 - HE3 LYS 94 OK 44 100 - 44 - 879=5, 1.8/867=4...(23) HB3 LYS 20 - HE2 LYS 68 OK 39 99 - 39 - 879=4, 1.8/867=4...(20) HB2 LYS 94 - HE2 LYS 68 OK 38 85 - 45 - 1.8/4206=4, ~4206=3...(24) HB2 LYS 94 - HE3 LYS 68 OK 38 79 - 48 - 1.8/4206=4, 2.9/4228=3...(25) HB3 LYS 20 - HE3 LYS 68 OK 37 96 - 39 - 879=4, 1.8/867=4...(20) HB3 LYS 47 - HE3 LYS 94 OK 35 91 - 39 - ~2139=5, 2151/3.0=5...(16) HB3 LYS 20 - HE2 LYS 94 OK 34 73 - 46 - 880=5, 1.8/868=4...(24) HB3 ARG 19 - HE2 LYS 20 OK 32 99 - 32 - 801/4.7=5, 896/3.6=5...(12) HB3 ARG 19 - HE3 LYS 20 OK 32 99 - 32 - 801/4.7=5, 896/3.6=5...(12) HB3 LYS 47 - HE2 LYS 94 OK 24 62 - 39 - ~2139=5, 2151/3.0=5...(17) HB2 GLU 17 - HE2 LYS 20 OK 22 97 - 23 - 896/3.6=4, 885/3.6=3...(9) HB2 GLU 17 - HE3 LYS 20 OK 22 97 - 23 - 896/3.6=4, 885/3.6=3...(9) HB3 LYS 47 - HE2 LYS 20 OK 19 92 - 21 - 896/3.6=2, 885/3.6=2...(5) HB3 LYS 47 - HE3 LYS 20 OK 19 91 - 21 - 896/3.6=2, 885/3.6=2...(5) HB3 ARG 19 - HE3 LYS 94 OK 16 99 - 17 - 803/3.0=2, 4.1/6314=2...(6) HB3 ARG 19 - HE2 LYS 68 OK 12 98 - 12 - 800/6.3=2, 4.1/6314=2 HB2 GLU 17 - HE3 LYS 94 OK 12 97 - 12 - 12027/3.0=2, ~12029=1...(4) HB3 ARG 19 - HE2 LYS 94 OK 12 70 - 17 - 803/3.0=2, 4.1/6314=2...(6) HB3 ARG 19 - HE3 LYS 68 OK 12 93 - 13 - 800/6.3=2, 4.1/6313=2 HB2 GLU 17 - HE2 LYS 94 poor 8 68 - 12 - 12027/3.0=2, ~12029=1...(4) HB VAL 32 - HE2 LYS 20 lone 8 98 - 8 - 896/3.6=2, 885/3.6=1, ~8946=1 HB VAL 32 - HE3 LYS 20 lone 8 98 - 8 - 896/3.6=2, 885/3.6=1, ~8946=1 HB2 MET 1 - HE2 LYS 20 lone 7 97 - 7 - 896/3.6=1, 885/3.6=1 HB2 MET 1 - HE3 LYS 20 lone 7 97 - 7 - 896/3.6=1, 885/3.6=1 HB VAL 32 - HE3 LYS 94 lone 6 98 - 6 - ~11009=2 HB VAL 32 - HE2 LYS 68 lone 6 97 - 6 - ~10263=2, ~10160=1 HB VAL 32 - HE3 LYS 68 lone 5 92 - 6 - ~10263=2, ~10160=1 HB2 LYS 13 - HE3 LYS 94 lone 5 65 - 7 - 4243/3.0=1, 4232/3.0=1 HB VAL 32 - HE2 LYS 94 lone 4 69 - 6 - ~11009=2 HB2 LYS 33 - HE3 LYS 94 lone 3 69 - 5 - HG3 GLU 88 - HE2 LYS 20 lone 3 94 - 3 - HG3 GLU 88 - HE3 LYS 20 lone 3 94 - 3 - HB2 MET 1 - HE3 LYS 94 lone 3 97 - 3 - HB3 LYS 47 - HE2 LYS 68 lone 3 90 - 3 - HB3 LYS 47 - HE3 LYS 68 lone 3 84 - 4 - HB2 LYS 13 - HE2 LYS 94 lone 3 41 - 7 - 4243/3.0=1, 4232/3.0=1 HB3 LYS 33 - HE3 LYS 94 lone 3 61 - 5 - HB2 GLU 17 - HE2 LYS 68 lone 2 96 - 3 - HG3 GLU 88 - HE2 LYS 68 lone 2 92 - 3 - 9914/10199=1 HB2 GLU 17 - HE3 LYS 68 lone 2 90 - 3 - HB2 MET 1 - HE2 LYS 94 lone 2 68 - 3 - HG3 GLU 88 - HE3 LYS 68 lone 2 87 - 2 - 9914/10199=1 HB2 LYS 33 - HE2 LYS 94 lone 2 44 - 5 - HB3 LYS 33 - HE2 LYS 94 lone 2 38 - 5 - HB2 MET 1 - HE2 LYS 68 lone 1 96 - 1 - HB2 MET 1 - HE3 LYS 68 lone 1 90 - 1 - HG3 GLU 88 - HE3 LYS 94 lone 1 94 - 1 - HB2 LYS 13 - HE2 LYS 20 lone 1 65 - 2 - HB2 LYS 13 - HE3 LYS 20 lone 1 65 - 2 - HB2 LYS 33 - HE2 LYS 20 lone 1 70 - 1 - HB2 LYS 33 - HE3 LYS 20 lone 1 69 - 1 - HB3 LYS 33 - HE2 LYS 20 lone 1 61 - 1 - HB3 LYS 33 - HE3 LYS 20 lone 1 61 - 1 - HB2 LYS 13 - HE2 LYS 68 lone 1 64 - 1 - HG3 GLU 88 - HE2 LYS 94 lone 1 64 - 1 - HB2 LYS 13 - HE3 LYS 68 lone 1 58 - 1 - HB2 LYS 33 - HE2 LYS 68 lone 1 68 - 1 - HB2 LYS 33 - HE3 LYS 68 lone 0 62 - 1 - HB3 LYS 33 - HE2 LYS 68 lone 0 60 - 1 - HB3 LYS 33 - HE3 LYS 68 lone 0 55 - 1 - Peak 930 from cnoeabs.peaks (1.46, 2.91, 41.80 ppm; 3.34 A): 2 out of 84 assignments used, quality = 0.99: * HG2 LYS 20 + HE2 LYS 20 OK 93 100 - 93 - 3.6=82, 887/3.0=6...(34) HG2 LYS 20 + HE3 LYS 20 OK 93 100 - 93 - 3.6=82, 889/3.0=6...(33) HG2 LYS 20 - HE3 LYS 94 OK 34 100 - 34 - 1.8/901=3, 891=3...(14) HG2 LYS 20 - HE2 LYS 68 OK 29 99 - 30 - 1.8/901=3, 890=3...(13) HG2 LYS 20 - HE3 LYS 68 OK 29 96 - 30 - 1.8/901=3, 890=3...(13) HG3 LYS 39 - HE2 LYS 68 OK 27 71 - 37 - 1717/3.6=3, 1719/3.0=3...(17) HG2 LYS 20 - HE2 LYS 94 OK 26 73 - 35 - 1.8/902=3, 891=3...(12) HG3 LYS 39 - HE3 LYS 68 OK 25 66 - 38 - 1717/3.6=3, 1719/3.0=3...(17) HB2 LEU 27 - HE3 LYS 94 OK 20 100 - 20 - 1192/3.0=3, 1191/3.9=2...(7) HG2 LYS 53 - HE2 LYS 20 OK 17 98 - 17 - 897/3.6=2, 884/4.7=1...(7) HG2 LYS 53 - HE3 LYS 20 OK 17 98 - 17 - 897/3.6=2, 884/4.7=1...(7) HD2 LYS 53 - HE2 LYS 20 OK 17 100 - 17 - 2440/3.0=3, 2440/3.0=2...(6) HD2 LYS 53 - HE3 LYS 20 OK 17 100 - 17 - 2440/3.0=3, 2440/3.0=2...(6) HG3 LYS 53 - HE2 LYS 20 OK 16 90 - 18 - 897/3.6=2, 863/4.7=1...(6) HG3 LYS 53 - HE3 LYS 20 OK 16 89 - 18 - 897/3.6=2, 863/4.7=1...(6) HG3 ARG 91 - HE2 LYS 20 OK 16 99 - 16 - 897/3.6=2, ~4039=1...(7) HG3 ARG 91 - HE3 LYS 20 OK 16 99 - 16 - 897/3.6=2, ~4039=1...(7) HB2 LEU 27 - HE2 LYS 94 OK 14 73 - 20 - 1192/3.0=3, 1191/3.9=2...(7) HD2 LYS 40 - HE2 LYS 68 OK 11 96 - 12 - HD3 LYS 40 - HE2 LYS 68 OK 11 94 - 12 - HD2 LYS 40 - HE3 LYS 68 OK 11 90 - 12 - HD3 LYS 40 - HE3 LYS 68 OK 10 89 - 12 - HG13 ILE 52 - HE2 LYS 20 lone 10 100 - 10 - 897/3.6=2, 2368/3.0=1...(4) HG13 ILE 52 - HE3 LYS 20 lone 10 100 - 10 - 897/3.6=2, 2368/3.0=1...(4) HD2 LYS 40 - HE2 LYS 20 lone 9 97 - 10 - 897/3.6=1 HD2 LYS 40 - HE3 LYS 20 lone 9 97 - 10 - 897/3.6=1 HD3 LYS 40 - HE2 LYS 20 lone 9 96 - 10 - 897/3.6=1 HD3 LYS 40 - HE3 LYS 20 lone 9 95 - 10 - 897/3.6=1 HG2 LYS 12 - HE2 LYS 68 lone 7 85 - 8 - HG2 LYS 12 - HE3 LYS 68 lone 7 79 - 8 - HB2 LEU 38 - HE2 LYS 20 lone 7 100 - 6 - 897/3.6=1 HB2 LEU 38 - HE3 LYS 20 lone 7 100 - 6 - 897/3.6=1 HG LEU 38 - HE2 LYS 20 lone 6 100 - 6 - 897/3.6=1 HG LEU 38 - HE3 LYS 20 lone 6 100 - 6 - 897/3.6=1 HG3 LYS 39 - HE3 LYS 94 lone 6 73 - 8 - HB2 LEU 27 - HE2 LYS 20 lone 6 100 - 6 - HB2 LEU 27 - HE3 LYS 20 lone 6 100 - 6 - HG2 LYS 53 - HE2 LYS 68 lone 5 97 - 5 - HG2 LYS 53 - HE3 LYS 68 lone 5 92 - 5 - HB2 LEU 27 - HE2 LYS 68 lone 4 99 - 4 - HB2 LEU 27 - HE3 LYS 68 lone 4 96 - 5 - HG3 LYS 39 - HE2 LYS 94 lone 4 46 - 9 - HG3 LYS 53 - HE2 LYS 68 lone 4 88 - 5 - HG3 LYS 53 - HE3 LYS 68 lone 4 82 - 5 - HD2 LYS 53 - HE2 LYS 68 lone 4 99 - 4 - 2439/5.0=1 HG2 LYS 12 - HE3 LYS 94 lone 4 86 - 4 - HD2 LYS 53 - HE3 LYS 68 lone 4 95 - 4 - 2439/5.0=1 HB2 LEU 38 - HE3 LYS 94 lone 3 100 - 3 - HG LEU 38 - HE2 LYS 68 lone 3 99 - 3 - HG LEU 38 - HE3 LYS 68 lone 3 95 - 3 - HB2 LEU 38 - HE2 LYS 68 lone 3 99 - 3 - HB2 LEU 38 - HE3 LYS 68 lone 3 95 - 3 - HG2 LYS 12 - HE2 LYS 94 lone 2 57 - 4 - HG3 ARG 91 - HE3 LYS 94 lone 2 99 - 2 - HB2 LEU 38 - HE2 LYS 94 lone 2 73 - 3 - HG3 LYS 39 - HE2 LYS 20 lone 2 73 - 3 - HG3 LYS 39 - HE3 LYS 20 lone 2 73 - 3 - HD2 LYS 82 - HE2 LYS 20 lone 2 100 - 2 - HD2 LYS 82 - HE3 LYS 20 lone 2 100 - 2 - HG13 ILE 52 - HE2 LYS 68 lone 2 99 - 2 - HD2 LYS 82 - HE2 LYS 68 lone 2 99 - 2 - HG13 ILE 52 - HE3 LYS 68 lone 2 96 - 2 - HG2 LYS 12 - HE2 LYS 20 lone 2 87 - 2 - HG2 LYS 12 - HE3 LYS 20 lone 2 86 - 2 - HD2 LYS 82 - HE3 LYS 68 lone 2 95 - 2 - HD2 LYS 40 - HE3 LYS 94 lone 2 97 - 2 - HD3 LYS 40 - HE3 LYS 94 lone 2 95 - 2 - HG LEU 38 - HE3 LYS 94 lone 2 100 - 2 - HG2 LYS 53 - HE3 LYS 94 lone 2 98 - 2 - HG3 ARG 91 - HE2 LYS 94 lone 2 70 - 2 - HG3 ARG 91 - HE2 LYS 68 lone 1 98 - 1 - HD2 LYS 53 - HE3 LYS 94 lone 1 100 - 1 - HG3 ARG 91 - HE3 LYS 68 lone 1 93 - 2 - HG3 LYS 53 - HE3 LYS 94 lone 1 89 - 1 - HG13 ILE 52 - HE3 LYS 94 lone 1 100 - 1 - HD2 LYS 40 - HE2 LYS 94 lone 1 68 - 2 - HD3 LYS 40 - HE2 LYS 94 lone 1 66 - 2 - HG2 LYS 53 - HE2 LYS 94 lone 1 69 - 2 - HD2 LYS 82 - HE3 LYS 94 lone 1 100 - 1 - HG LEU 38 - HE2 LYS 94 lone 1 73 - 1 - HD2 LYS 53 - HE2 LYS 94 lone 1 73 - 1 - HG3 LYS 53 - HE2 LYS 94 lone 1 60 - 1 - HG13 ILE 52 - HE2 LYS 94 lone 1 73 - 1 - HD2 LYS 82 - HE2 LYS 94 lone 1 73 - 1 - Peak 931 from cnoeabs.peaks (1.67, 2.91, 41.80 ppm; 2.70 A): 6 out of 78 assignments used, quality = 1.00: HD3 LYS 20 + HE2 LYS 20 OK 78 100 - 78 - 3.0=74, 887/3.6=3...(8) HD3 LYS 20 + HE3 LYS 20 OK 78 100 - 78 - 3.0=74, 887/3.6=3...(8) HD2 LYS 20 + HE2 LYS 20 OK 78 100 - 78 - 3.0=74, 889/3.6=3...(8) HD2 LYS 20 + HE3 LYS 20 OK 78 100 - 78 - 3.0=74, 889/3.6=3...(8) * HG3 LYS 20 + HE2 LYS 20 OK 65 100 - 66 - 3.6=44, 3.0/868=3...(22) HG3 LYS 20 + HE3 LYS 20 OK 65 100 - 65 - 3.6=44, 3.0/868=3...(22) HG3 LYS 20 - HE3 LYS 94 OK 21 100 - 21 - 901=2, 902/1.8=2...(7) HD3 LYS 20 - HE3 LYS 94 OK 19 100 - 19 - 2.8/901=1, 3.5/867=1...(6) HD2 LYS 20 - HE3 LYS 94 OK 19 100 - 19 - 2.8/901=1, 3.5/867=1...(6) HG3 LYS 20 - HE2 LYS 68 OK 18 99 - 18 - 901=1, 901/1.8=1...(5) HG3 LYS 20 - HE3 LYS 68 OK 17 96 - 18 - 901=2, 901/1.8=1...(5) HG3 LYS 20 - HE2 LYS 94 OK 16 73 - 22 - 902=2, 901/1.8=2...(7) HD3 LYS 20 - HE2 LYS 94 OK 14 73 - 19 - 2.8/902=1, 3.5/868=1...(6) HD2 LYS 20 - HE2 LYS 94 OK 14 72 - 19 - 2.8/902=1, 3.5/868=1...(6) HD3 LYS 20 - HE2 LYS 68 OK 13 99 - 13 - 2.8/901=1, 3.5/867=1...(4) HD2 LYS 20 - HE2 LYS 68 OK 13 99 - 13 - 2.8/901=1, 3.5/867=1...(4) HD3 LYS 20 - HE3 LYS 68 OK 13 96 - 13 - 2.8/901=1, 3.5/867=1...(4) HD2 LYS 20 - HE3 LYS 68 OK 13 95 - 13 - 2.8/901=1, 3.5/867=1...(4) HD2 LYS 47 - HE3 LYS 94 poor 10 98 - 10 - 2184/3.0=2, ~4247=1 HD3 LYS 47 - HE3 LYS 94 poor 10 97 - 10 - 2184/3.0=2, ~4247=1 HB3 LYS 40 - HE2 LYS 68 lone 9 92 - 10 - 1797/3.0=2, 1797/3.0=2...(4) HB3 LYS 40 - HE3 LYS 68 lone 9 87 - 10 - 1797/3.0=2, 1797/3.0=2...(4) HB3 ARG 91 - HE2 LYS 20 lone 8 96 - 9 - HB3 ARG 91 - HE3 LYS 20 lone 8 95 - 9 - HD2 LYS 47 - HE2 LYS 94 poor 7 69 - 10 - 2184/3.0=2, ~4247=1 HB3 LYS 53 - HE2 LYS 20 lone 7 90 - 8 - HB3 LYS 53 - HE3 LYS 20 lone 7 89 - 8 - HD3 LYS 47 - HE2 LYS 94 poor 7 68 - 10 - 2184/3.0=2, ~4247=1 HD2 LYS 47 - HE2 LYS 20 lone 6 98 - 6 - HD2 LYS 47 - HE3 LYS 20 lone 6 98 - 6 - HD3 LYS 47 - HE2 LYS 20 lone 6 97 - 6 - HD3 LYS 47 - HE3 LYS 20 lone 6 97 - 6 - HB ILE 52 - HE2 LYS 20 lone 4 99 - 4 - HB ILE 52 - HE3 LYS 20 lone 4 99 - 4 - HB3 LYS 40 - HE2 LYS 20 lone 4 94 - 4 - HB3 LYS 40 - HE3 LYS 20 lone 4 94 - 4 - HB3 LYS 53 - HE2 LYS 68 lone 3 88 - 3 - HB3 LYS 53 - HE3 LYS 68 lone 3 82 - 3 - HG2 PRO 86 - HE3 LYS 94 lone 2 65 - 4 - HB3 LYS 40 - HE3 LYS 94 lone 2 94 - 2 - HB3 ARG 91 - HE3 LYS 94 lone 2 95 - 2 - HD2 LYS 73 - HE2 LYS 20 lone 2 97 - 2 - HD2 LYS 73 - HE3 LYS 20 lone 2 97 - 2 - HD3 LYS 73 - HE2 LYS 20 lone 2 94 - 2 - HD3 LYS 73 - HE3 LYS 20 lone 2 94 - 2 - HG2 PRO 86 - HE2 LYS 94 lone 1 41 - 3 - HB3 ARG 91 - HE2 LYS 94 lone 1 66 - 2 - HB3 LYS 40 - HE2 LYS 94 lone 1 64 - 2 - HD2 LYS 73 - HE3 LYS 94 lone 1 97 - 1 - HD3 LYS 73 - HE3 LYS 94 lone 1 94 - 1 - HD2 LYS 47 - HE2 LYS 68 lone 1 97 - 1 - HD3 LYS 47 - HE2 LYS 68 lone 1 96 - 1 - HB3 ARG 91 - HE2 LYS 68 lone 1 94 - 1 - HD2 LYS 47 - HE3 LYS 68 lone 1 92 - 1 - HD3 LYS 47 - HE3 LYS 68 lone 1 90 - 1 - HD2 LYS 73 - HE2 LYS 94 lone 1 68 - 1 - HB3 ARG 91 - HE3 LYS 68 lone 1 89 - 1 - HD3 LYS 73 - HE2 LYS 94 lone 1 64 - 1 - HB3 LYS 53 - HE3 LYS 94 lone 1 89 - 1 - HG2 PRO 86 - HE2 LYS 20 lone 1 65 - 1 - HB ILE 52 - HE2 LYS 68 lone 1 98 - 1 - HG2 PRO 86 - HE3 LYS 20 lone 1 65 - 1 - HG12 ILE 15 - HE3 LYS 94 lone 1 61 - 1 - HB ILE 52 - HE3 LYS 68 lone 1 94 - 1 - HG12 ILE 15 - HE2 LYS 20 lone 1 61 - 1 - HG12 ILE 15 - HE3 LYS 20 lone 1 61 - 1 - HD2 LYS 73 - HE2 LYS 68 lone 1 96 - 1 - HD3 LYS 73 - HE2 LYS 68 lone 1 92 - 1 - HD2 LYS 73 - HE3 LYS 68 lone 0 90 - 1 - HB ILE 52 - HE3 LYS 94 lone 0 99 - 0 - HD3 LYS 73 - HE3 LYS 68 lone 0 87 - 1 - HB3 LYS 53 - HE2 LYS 94 lone 0 60 - 1 - HG12 ILE 15 - HE2 LYS 68 lone 0 60 - 1 - HG2 PRO 86 - HE2 LYS 68 lone 0 64 - 1 - HG12 ILE 15 - HE3 LYS 68 lone 0 55 - 1 - HB ILE 52 - HE2 LYS 94 lone 0 71 - 0 - HG2 PRO 86 - HE3 LYS 68 lone 0 58 - 1 - HG12 ILE 15 - HE2 LYS 94 lone 0 38 - 1 - Peak 932 from cnoeabs.peaks (1.68, 2.91, 41.80 ppm; 2.70 A): 6 out of 96 assignments used, quality = 1.00: * HD2 LYS 20 + HE2 LYS 20 OK 78 100 - 78 - 3.0=74, 887/3.6=3...(8) HD2 LYS 20 + HE3 LYS 20 OK 78 100 - 78 - 3.0=74, 887/3.6=3...(8) HD3 LYS 20 + HE2 LYS 20 OK 78 100 - 78 - 3.0=74, 887/3.6=3...(8) HD3 LYS 20 + HE3 LYS 20 OK 78 100 - 78 - 3.0=74, 887/3.6=3...(8) HG3 LYS 20 + HE2 LYS 20 OK 65 100 - 66 - 3.6=44, 3.0/868=3...(22) HG3 LYS 20 + HE3 LYS 20 OK 65 100 - 65 - 3.6=44, 3.0/868=3...(22) HG3 LYS 20 - HE3 LYS 94 OK 21 100 - 21 - 901=2, 902/1.8=2...(7) HD2 LYS 20 - HE3 LYS 94 OK 19 100 - 19 - 2.8/901=1, 3.5/867=1...(6) HD3 LYS 20 - HE3 LYS 94 OK 19 100 - 19 - 2.8/901=1, 3.5/867=1...(6) HG3 LYS 20 - HE2 LYS 68 OK 18 99 - 18 - 901=1, 901/1.8=1...(5) HG3 LYS 20 - HE3 LYS 68 OK 17 95 - 18 - 901=2, 901/1.8=1...(5) HG3 LYS 20 - HE2 LYS 94 OK 16 72 - 22 - 902=2, 901/1.8=2...(7) HD2 LYS 20 - HE2 LYS 94 OK 14 73 - 19 - 2.8/902=1, 3.5/868=1...(6) HD3 LYS 20 - HE2 LYS 94 OK 14 72 - 19 - 2.8/902=1, 3.5/868=1...(6) HD2 LYS 20 - HE2 LYS 68 OK 13 99 - 13 - 2.8/901=1, 3.5/867=1...(4) HD3 LYS 20 - HE2 LYS 68 OK 13 99 - 13 - 2.8/901=1, 3.5/867=1...(4) HD2 LYS 20 - HE3 LYS 68 OK 13 96 - 13 - 2.8/901=1, 3.5/867=1...(4) HD3 LYS 20 - HE3 LYS 68 OK 13 95 - 13 - 2.8/901=1, 3.5/867=1...(4) HD2 LYS 47 - HE3 LYS 94 OK 10 100 - 10 - 2195/3.0=2, ~4247=1 HD3 LYS 47 - HE3 LYS 94 OK 10 99 - 10 - 2195/3.0=2, ~4247=1 HB3 LYS 40 - HE2 LYS 68 OK 10 97 - 10 - 1797/3.0=2, 1797/3.0=2...(4) HB3 LYS 40 - HE3 LYS 68 poor 9 92 - 10 - 1797/3.0=2, 1797/3.0=2...(4) HB3 ARG 91 - HE2 LYS 20 lone 9 99 - 9 - HB3 ARG 91 - HE3 LYS 20 lone 9 99 - 9 - HB3 LYS 53 - HE2 LYS 20 lone 7 96 - 8 - HB3 LYS 53 - HE3 LYS 20 lone 7 95 - 8 - HD2 LYS 47 - HE2 LYS 94 poor 7 72 - 10 - 2195/3.0=2, ~4247=1 HD3 LYS 47 - HE2 LYS 94 poor 7 71 - 10 - 2195/3.0=2, ~4247=1 HD2 LYS 47 - HE2 LYS 20 lone 6 100 - 6 - HD3 LYS 47 - HE2 LYS 20 lone 6 99 - 6 - HD2 LYS 47 - HE3 LYS 20 lone 6 100 - 6 - HD3 LYS 47 - HE3 LYS 20 lone 6 99 - 6 - HB3 LYS 40 - HE2 LYS 20 lone 4 98 - 4 - HB3 LYS 40 - HE3 LYS 20 lone 4 98 - 4 - HB ILE 52 - HE2 LYS 20 lone 4 97 - 4 - HB ILE 52 - HE3 LYS 20 lone 4 97 - 4 - HB3 LYS 53 - HE2 LYS 68 lone 3 94 - 4 - HB3 LYS 53 - HE3 LYS 68 lone 3 89 - 4 - HG2 PRO 86 - HE3 LYS 94 lone 3 77 - 4 - HD3 LYS 90 - HE3 LYS 94 lone 3 61 - 4 - HB3 LYS 40 - HE3 LYS 94 lone 2 98 - 2 - HB3 ARG 91 - HE3 LYS 94 lone 2 99 - 2 - HG2 PRO 86 - HE2 LYS 94 lone 2 49 - 3 - HD2 LYS 73 - HE2 LYS 20 lone 2 92 - 2 - HD2 LYS 73 - HE3 LYS 20 lone 2 91 - 2 - HB3 ARG 91 - HE2 LYS 94 lone 1 70 - 2 - HD3 LYS 73 - HE2 LYS 20 lone 1 87 - 2 - HD3 LYS 73 - HE3 LYS 20 lone 1 86 - 2 - HB3 LYS 40 - HE2 LYS 94 lone 1 69 - 2 - HD2 LYS 73 - HE3 LYS 94 lone 1 91 - 1 - HD3 LYS 73 - HE3 LYS 94 lone 1 86 - 1 - HB3 ARG 91 - HE2 LYS 68 lone 1 98 - 1 - HD2 LYS 47 - HE2 LYS 68 lone 1 99 - 1 - HD3 LYS 47 - HE2 LYS 68 lone 1 98 - 1 - HD2 LYS 47 - HE3 LYS 68 lone 1 95 - 1 - HB3 ARG 91 - HE3 LYS 68 lone 1 93 - 1 - HD3 LYS 47 - HE3 LYS 68 lone 1 94 - 1 - HG12 ILE 15 - HE3 LYS 94 lone 1 73 - 1 - HG2 PRO 86 - HE2 LYS 20 lone 1 77 - 1 - HG2 PRO 86 - HE3 LYS 20 lone 1 77 - 1 - HB3 LYS 53 - HE3 LYS 94 lone 1 95 - 1 - HG12 ILE 15 - HE2 LYS 20 lone 1 73 - 1 - HG12 ILE 15 - HE3 LYS 20 lone 1 73 - 1 - HD2 LYS 73 - HE2 LYS 94 lone 1 62 - 1 - HD3 LYS 90 - HE2 LYS 94 lone 1 38 - 2 - HD3 LYS 90 - HE2 LYS 68 lone 1 60 - 1 - HD3 LYS 73 - HE2 LYS 94 lone 1 57 - 1 - HD3 LYS 90 - HE3 LYS 68 lone 1 55 - 1 - HB ILE 52 - HE2 LYS 68 lone 1 96 - 1 - HB ILE 52 - HE3 LYS 68 lone 1 90 - 1 - HB3 LYS 53 - HE2 LYS 94 lone 1 66 - 1 - HD2 LYS 73 - HE2 LYS 68 lone 0 90 - 1 - HG12 ILE 15 - HE2 LYS 68 lone 0 71 - 1 - HB ILE 52 - HE3 LYS 94 lone 0 97 - 0 - HG2 PRO 86 - HE2 LYS 68 lone 0 75 - 1 - HD3 LYS 73 - HE2 LYS 68 lone 0 85 - 1 - HD2 LYS 73 - HE3 LYS 68 lone 0 84 - 1 - HG12 ILE 15 - HE3 LYS 68 lone 0 66 - 1 - HG2 PRO 86 - HE3 LYS 68 lone 0 70 - 1 - HD3 LYS 73 - HE3 LYS 68 lone 0 79 - 1 - HG12 ILE 15 - HE2 LYS 94 lone 0 46 - 1 - HD2 LYS 24 - HE3 LYS 94 lone 0 65 - 1 - HD3 LYS 24 - HE3 LYS 94 lone 0 61 - 1 - HD3 LYS 90 - HE2 LYS 20 lone 0 61 - 1 - HD3 LYS 90 - HE3 LYS 20 lone 0 61 - 1 - HB ILE 52 - HE2 LYS 94 lone 0 68 - 0 - HD2 LYS 24 - HE2 LYS 20 lone 0 65 - 0 - HD2 LYS 24 - HE3 LYS 20 lone 0 65 - 0 - HD3 LYS 24 - HE2 LYS 20 lone 0 61 - 0 - HD3 LYS 24 - HE3 LYS 20 lone 0 61 - 0 - HD2 LYS 24 - HE2 LYS 94 lone 0 41 - 1 - HD3 LYS 24 - HE2 LYS 94 lone 0 38 - 1 - HD2 LYS 24 - HE2 LYS 68 lone 0 64 - 0 - HD3 LYS 24 - HE2 LYS 68 lone 0 60 - 0 - HD2 LYS 24 - HE3 LYS 68 lone 0 58 - 0 - HD3 LYS 24 - HE3 LYS 68 lone 0 55 - 0 - Peak 933 from cnoeabs.peaks (1.67, 2.91, 41.80 ppm; 2.70 A): 6 out of 78 assignments used, quality = 1.00: * HD3 LYS 20 + HE2 LYS 20 OK 78 100 - 78 - 3.0=74, 887/3.6=3...(8) HD3 LYS 20 + HE3 LYS 20 OK 78 100 - 78 - 3.0=74, 887/3.6=3...(8) HD2 LYS 20 + HE2 LYS 20 OK 78 100 - 78 - 3.0=74, 889/3.6=3...(8) HD2 LYS 20 + HE3 LYS 20 OK 78 100 - 78 - 3.0=74, 889/3.6=3...(8) HG3 LYS 20 + HE2 LYS 20 OK 65 100 - 66 - 3.6=44, 3.0/868=3...(22) HG3 LYS 20 + HE3 LYS 20 OK 65 100 - 65 - 3.6=44, 3.0/868=3...(22) HG3 LYS 20 - HE3 LYS 94 OK 21 100 - 21 - 901=2, 902/1.8=2...(7) HD3 LYS 20 - HE3 LYS 94 OK 19 100 - 19 - 2.8/901=1, 3.5/867=1...(6) HD2 LYS 20 - HE3 LYS 94 OK 19 100 - 19 - 2.8/901=1, 3.5/867=1...(6) HG3 LYS 20 - HE2 LYS 68 OK 18 99 - 18 - 901=1, 901/1.8=1...(5) HG3 LYS 20 - HE3 LYS 68 OK 17 96 - 18 - 901=2, 901/1.8=1...(5) HG3 LYS 20 - HE2 LYS 94 OK 16 73 - 22 - 902=2, 901/1.8=2...(7) HD3 LYS 20 - HE2 LYS 94 OK 14 73 - 19 - 2.8/902=1, 3.5/868=1...(6) HD2 LYS 20 - HE2 LYS 94 OK 14 72 - 19 - 2.8/902=1, 3.5/868=1...(6) HD3 LYS 20 - HE2 LYS 68 OK 13 99 - 13 - 2.8/901=1, 3.5/867=1...(4) HD2 LYS 20 - HE2 LYS 68 OK 13 99 - 13 - 2.8/901=1, 3.5/867=1...(4) HD3 LYS 20 - HE3 LYS 68 OK 13 96 - 13 - 2.8/901=1, 3.5/867=1...(4) HD2 LYS 20 - HE3 LYS 68 OK 13 95 - 13 - 2.8/901=1, 3.5/867=1...(4) HD2 LYS 47 - HE3 LYS 94 poor 10 98 - 10 - 2184/3.0=2, ~4247=1 HD3 LYS 47 - HE3 LYS 94 poor 10 97 - 10 - 2184/3.0=2, ~4247=1 HB3 LYS 40 - HE2 LYS 68 lone 9 92 - 10 - 1797/3.0=2, 1797/3.0=2...(4) HB3 LYS 40 - HE3 LYS 68 lone 9 87 - 10 - 1797/3.0=2, 1797/3.0=2...(4) HB3 ARG 91 - HE2 LYS 20 lone 8 96 - 9 - HB3 ARG 91 - HE3 LYS 20 lone 8 95 - 9 - HD2 LYS 47 - HE2 LYS 94 poor 7 69 - 10 - 2184/3.0=2, ~4247=1 HB3 LYS 53 - HE2 LYS 20 lone 7 90 - 8 - HB3 LYS 53 - HE3 LYS 20 lone 7 89 - 8 - HD3 LYS 47 - HE2 LYS 94 poor 7 68 - 10 - 2184/3.0=2, ~4247=1 HD2 LYS 47 - HE2 LYS 20 lone 6 98 - 6 - HD2 LYS 47 - HE3 LYS 20 lone 6 98 - 6 - HD3 LYS 47 - HE2 LYS 20 lone 6 97 - 6 - HD3 LYS 47 - HE3 LYS 20 lone 6 97 - 6 - HB ILE 52 - HE2 LYS 20 lone 4 99 - 4 - HB ILE 52 - HE3 LYS 20 lone 4 99 - 4 - HB3 LYS 40 - HE2 LYS 20 lone 4 94 - 4 - HB3 LYS 40 - HE3 LYS 20 lone 4 94 - 4 - HB3 LYS 53 - HE2 LYS 68 lone 3 88 - 3 - HB3 LYS 53 - HE3 LYS 68 lone 3 82 - 3 - HG2 PRO 86 - HE3 LYS 94 lone 2 65 - 4 - HB3 LYS 40 - HE3 LYS 94 lone 2 94 - 2 - HB3 ARG 91 - HE3 LYS 94 lone 2 95 - 2 - HD2 LYS 73 - HE2 LYS 20 lone 2 97 - 2 - HD2 LYS 73 - HE3 LYS 20 lone 2 97 - 2 - HD3 LYS 73 - HE2 LYS 20 lone 2 94 - 2 - HD3 LYS 73 - HE3 LYS 20 lone 2 94 - 2 - HG2 PRO 86 - HE2 LYS 94 lone 1 41 - 3 - HB3 ARG 91 - HE2 LYS 94 lone 1 66 - 2 - HB3 LYS 40 - HE2 LYS 94 lone 1 64 - 2 - HD2 LYS 73 - HE3 LYS 94 lone 1 97 - 1 - HD3 LYS 73 - HE3 LYS 94 lone 1 94 - 1 - HD2 LYS 47 - HE2 LYS 68 lone 1 97 - 1 - HD3 LYS 47 - HE2 LYS 68 lone 1 96 - 1 - HB3 ARG 91 - HE2 LYS 68 lone 1 94 - 1 - HD2 LYS 47 - HE3 LYS 68 lone 1 92 - 1 - HD3 LYS 47 - HE3 LYS 68 lone 1 90 - 1 - HD2 LYS 73 - HE2 LYS 94 lone 1 68 - 1 - HB3 ARG 91 - HE3 LYS 68 lone 1 89 - 1 - HD3 LYS 73 - HE2 LYS 94 lone 1 64 - 1 - HB3 LYS 53 - HE3 LYS 94 lone 1 89 - 1 - HG2 PRO 86 - HE2 LYS 20 lone 1 65 - 1 - HB ILE 52 - HE2 LYS 68 lone 1 98 - 1 - HG2 PRO 86 - HE3 LYS 20 lone 1 65 - 1 - HG12 ILE 15 - HE3 LYS 94 lone 1 61 - 1 - HB ILE 52 - HE3 LYS 68 lone 1 94 - 1 - HG12 ILE 15 - HE2 LYS 20 lone 1 61 - 1 - HG12 ILE 15 - HE3 LYS 20 lone 1 61 - 1 - HD2 LYS 73 - HE2 LYS 68 lone 1 96 - 1 - HD3 LYS 73 - HE2 LYS 68 lone 1 92 - 1 - HD2 LYS 73 - HE3 LYS 68 lone 0 90 - 1 - HB ILE 52 - HE3 LYS 94 lone 0 99 - 0 - HD3 LYS 73 - HE3 LYS 68 lone 0 87 - 1 - HB3 LYS 53 - HE2 LYS 94 lone 0 60 - 1 - HG12 ILE 15 - HE2 LYS 68 lone 0 60 - 1 - HG2 PRO 86 - HE2 LYS 68 lone 0 64 - 1 - HG12 ILE 15 - HE3 LYS 68 lone 0 55 - 1 - HB ILE 52 - HE2 LYS 94 lone 0 71 - 0 - HG2 PRO 86 - HE3 LYS 68 lone 0 58 - 1 - HG12 ILE 15 - HE2 LYS 94 lone 0 38 - 1 - Peak 934 from cnoeabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HE2 LYS 20 + HE2 LYS 20 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE3 LYS 20 + HE3 LYS 20 OK 100 100 - 100 HE2 LYS 68 + HE2 LYS 68 OK 99 99 - 100 HE3 LYS 68 + HE3 LYS 68 OK 94 94 - 100 HE2 LYS 94 + HE2 LYS 94 OK 66 66 - 100 Peak 935 from cnoeabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HE2 LYS 20 + HE2 LYS 20 OK 100 100 - 100 HE3 LYS 20 + HE3 LYS 20 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE2 LYS 68 + HE2 LYS 68 OK 99 99 - 100 HE3 LYS 68 + HE3 LYS 68 OK 93 93 - 100 HE2 LYS 94 + HE2 LYS 94 OK 68 68 - 100 Reference assignment not found: HE3 LYS 20 - HE2 LYS 20 Peak 936 from cnoeabs.peaks (7.68, 2.91, 41.80 ppm; 5.60 A): 2 out of 18 assignments used, quality = 0.96: * H MET 21 + HE2 LYS 20 OK 80 100 - 80 - 869/4.7=19, 881/4.7=19...(12) H MET 21 + HE3 LYS 20 OK 80 100 - 80 - 869/4.7=19, 881/4.7=19...(12) H SER 85 - HE2 LYS 20 OK 39 99 - 39 - 903/3.6=9, 869/4.7=8...(8) H SER 85 - HE3 LYS 20 OK 39 99 - 39 - 903/3.6=9, 869/4.7=8...(8) H MET 21 - HE3 LYS 94 OK 37 100 - 37 - 6339/7.3=6, 6330=5...(10) HD22 ASN 51 - HE2 LYS 20 OK 35 100 - 35 - 903/3.6=8, 869/4.7=6...(8) HD22 ASN 51 - HE3 LYS 20 OK 35 100 - 35 - 903/3.6=8, 869/4.7=6...(8) H MET 21 - HE2 LYS 68 OK 30 99 - 30 - 6321/6.3=5, 6330=4...(8) H MET 21 - HE3 LYS 68 OK 29 96 - 30 - 6321/6.3=5, 6330/1.8=4...(8) H MET 21 - HE2 LYS 94 OK 27 73 - 37 - 6339/7.3=6, 6331=5...(10) H SER 85 - HE2 LYS 68 OK 13 98 - 13 - 9861/5.0=4, 9862/3.6=2 H SER 85 - HE3 LYS 68 OK 12 94 - 13 - 9861/5.0=4, 9862/3.6=2 H SER 85 - HE3 LYS 94 lone 8 99 - 8 - 9862/3.9=2 H SER 85 - HE2 LYS 94 lone 6 71 - 8 - 9862/3.9=2 HD22 ASN 51 - HE3 LYS 94 lone 5 100 - 5 - HD22 ASN 51 - HE2 LYS 68 lone 4 99 - 4 - HD22 ASN 51 - HE3 LYS 68 lone 4 96 - 4 - HD22 ASN 51 - HE2 LYS 94 lone 3 73 - 5 - Peak 937 from cnoeabs.peaks (7.79, 2.91, 41.80 ppm; 4.56 A): 2 out of 36 assignments used, quality = 0.98: * H LYS 20 + HE3 LYS 20 OK 85 100 - 85 - 7.3=25, 893/3.6=19...(23) H LYS 20 + HE2 LYS 20 OK 85 100 - 85 - 7.3=25, 893/3.6=19...(22) H LYS 66 - HE2 LYS 68 OK 37 88 - 43 - 7078/7.2=6, 7076/1.8=4...(19) H LYS 20 - HE3 LYS 94 OK 36 99 - 36 - 6314=5, 6314/1.8=4...(14) H LYS 20 - HE2 LYS 68 OK 35 98 - 35 - 6314=5, 6313/1.8=4...(15) H LYS 66 - HE3 LYS 68 OK 34 80 - 43 - 7078/7.2=6, 7076=4...(18) H LYS 20 - HE3 LYS 68 OK 33 92 - 36 - 6313=5, 6314/1.8=4...(15) H LYS 20 - HE2 LYS 94 OK 29 81 - 37 - 6314=5, 6314/1.8=4...(14) H LYS 66 - HE3 LYS 20 OK 24 92 - 26 - 893/3.6=3, 882/3.6=3...(9) H LYS 66 - HE2 LYS 20 OK 24 91 - 26 - 893/3.6=3, 882/3.6=3...(9) H GLU 28 - HE3 LYS 20 OK 22 98 - 22 - 893/3.6=4, 882/3.6=4...(7) H GLU 28 - HE2 LYS 20 OK 22 98 - 22 - 893/3.6=4, 882/3.6=4...(7) H LYS 66 - HE3 LYS 94 OK 18 90 - 20 - 7073/3.0=2, 7076=2...(9) H GLU 99 - HE3 LYS 20 OK 17 100 - 16 - 893/3.6=3, 859/4.7=3...(7) H GLU 99 - HE2 LYS 20 OK 16 100 - 16 - 893/3.6=3, 859/4.7=3...(7) HE ARG 30 - HE3 LYS 20 OK 14 100 - 14 - 893/3.6=3, 882/3.6=2...(6) HE ARG 30 - HE2 LYS 20 OK 14 100 - 14 - 893/3.6=3, 882/3.6=2...(6) H LYS 66 - HE2 LYS 94 OK 12 69 - 17 - 7073/3.0=2, 7076/1.8=2...(6) H GLU 28 - HE2 LYS 68 OK 11 95 - 11 - 6450/3.6=2, 7101/7.2=2...(5) H GLU 28 - HE3 LYS 68 OK 10 88 - 12 - 6450/3.6=2, 7101/7.2=2...(5) H GLU 28 - HE3 LYS 94 poor 10 97 - 10 - 6451/3.0=2, 6450/3.9=2 HE ARG 30 - HE3 LYS 94 lone 8 99 - 8 - ~1367=2, ~1358=2...(4) H GLU 28 - HE2 LYS 94 lone 7 76 - 9 - 6451/3.0=2, 6450/3.9=2 HE ARG 30 - HE2 LYS 94 lone 6 80 - 8 - ~1367=2, ~1358=2, 5.0/4257=1 H SER 9 - HE3 LYS 20 lone 5 61 - 9 - 893/3.6=1, 859/4.7=1...(4) H SER 9 - HE2 LYS 20 lone 5 61 - 9 - 893/3.6=1, 859/4.7=1...(4) H GLU 99 - HE2 LYS 68 lone 4 98 - 5 - 7601/6.3=1 H GLU 99 - HE3 LYS 68 lone 4 91 - 5 - 7601/6.3=1 H GLU 99 - HE3 LYS 94 lone 3 99 - 3 - HE ARG 30 - HE2 LYS 68 lone 3 97 - 3 - HE ARG 30 - HE3 LYS 68 lone 3 91 - 3 - H GLU 99 - HE2 LYS 94 lone 2 80 - 3 - H SER 9 - HE2 LYS 68 lone 2 58 - 4 - H SER 9 - HE3 LYS 68 lone 2 51 - 4 - H SER 9 - HE3 LYS 94 lone 2 60 - 3 - H SER 9 - HE2 LYS 94 lone 1 43 - 3 - Peak 938 from cnoeabs.peaks (4.05, 2.91, 41.80 ppm; 3.61 A): 2 out of 30 assignments used, quality = 0.95: * HA LYS 20 + HE3 LYS 20 OK 78 100 - 78 - 6.3=18, 883/3.6=10...(39) HA LYS 20 + HE2 LYS 20 OK 78 100 - 78 - 6.3=18, 883/3.6=10...(39) HA LYS 20 - HE3 LYS 94 OK 33 99 - 33 - 3.0/868=3, 3.0/879=3...(16) HA LYS 20 - HE2 LYS 68 OK 29 98 - 30 - 3.0/867=3, 3.0/879=3...(14) HA GLU 17 - HE2 LYS 20 OK 29 100 - 29 - 894/3.6=5, 733/4.7=5...(7) HA GLU 17 - HE3 LYS 20 OK 29 100 - 29 - 894/3.6=5, 733/4.7=5...(7) HA LYS 20 - HE3 LYS 68 OK 28 92 - 30 - 3.0/867=3, 3.0/879=3...(14) HA LYS 20 - HE2 LYS 94 OK 27 81 - 34 - 3.0/868=3, 3.0/880=3...(16) HA GLU 16 - HE3 LYS 20 OK 22 97 - 22 - 894/3.6=3, 883/3.6=3...(11) HA GLU 16 - HE2 LYS 20 OK 22 97 - 22 - 894/3.6=3, 883/3.6=3...(11) HB2 SER 49 - HE3 LYS 20 OK 13 98 - 13 - 894/3.6=3, 883/3.6=2...(7) HB2 SER 49 - HE2 LYS 20 OK 13 98 - 13 - 894/3.6=3, 883/3.6=2...(7) HA GLU 17 - HE3 LYS 94 lone 9 99 - 9 - HA GLU 17 - HE2 LYS 94 lone 7 80 - 9 - HB2 SER 49 - HE3 LYS 94 lone 3 97 - 3 - HA GLU 16 - HE3 LYS 94 lone 3 96 - 3 - HA GLU 17 - HE2 LYS 68 lone 3 98 - 3 - HB3 SER 59 - HE3 LYS 20 lone 3 77 - 3 - HB3 SER 59 - HE2 LYS 20 lone 3 77 - 3 - HA GLU 17 - HE3 LYS 68 lone 3 92 - 3 - HA GLU 16 - HE2 LYS 68 lone 3 94 - 3 - HB2 SER 49 - HE2 LYS 94 lone 3 76 - 3 - HA GLU 16 - HE3 LYS 68 lone 2 86 - 3 - HA GLU 16 - HE2 LYS 94 lone 2 75 - 3 - HB2 SER 49 - HE2 LYS 68 lone 2 95 - 2 - HB2 SER 49 - HE3 LYS 68 lone 2 88 - 2 - HB3 SER 59 - HE3 LYS 94 lone 1 75 - 1 - HB3 SER 59 - HE2 LYS 68 lone 1 73 - 1 - HB3 SER 59 - HE3 LYS 68 lone 1 65 - 1 - HB3 SER 59 - HE2 LYS 94 lone 0 55 - 1 - Peak 939 from cnoeabs.peaks (1.89, 2.91, 41.80 ppm; 3.59 A): 3 out of 54 assignments used, quality = 0.99: * HB2 LYS 20 + HE3 LYS 20 OK 85 100 - 85 - 4.7=44, 868/1.8=8...(48) HB2 LYS 20 + HE2 LYS 20 OK 85 100 - 85 - 4.7=44, 868/1.8=8...(48) HB3 LYS 68 + HE2 LYS 68 OK 49 61 - 79 - 5.0=37, 1.8/3006=6...(45) HB3 LYS 68 - HE3 LYS 68 OK 43 55 - 79 - 5.0=37, 1.8/3006=6...(47) HB2 LYS 20 - HE3 LYS 94 OK 40 99 - 40 - 868=4, 868/1.8=4...(19) HB2 LYS 20 - HE2 LYS 68 OK 35 98 - 35 - 867=4, 867/1.8=3...(18) HB2 LYS 20 - HE3 LYS 68 OK 33 92 - 36 - 867=4, 867/1.8=3...(18) HB2 LYS 20 - HE2 LYS 94 OK 33 81 - 41 - 868=4, 868/1.8=4...(20) HB2 ARG 19 - HE2 LYS 20 OK 32 100 - 33 - 895/3.6=6, 792/4.7=5...(8) HB2 ARG 19 - HE3 LYS 20 OK 32 100 - 33 - 895/3.6=6, 792/4.7=5...(8) HB3 LYS 68 - HE3 LYS 94 OK 22 64 - 34 - 1.8/3006=3, 2.9/3029=3...(17) HB3 LYS 68 - HE3 LYS 20 OK 17 65 - 26 - 1.8/3006=2, 2.9/3029=2...(7) HB3 LYS 68 - HE2 LYS 20 OK 17 65 - 26 - 1.8/3006=2, 2.9/3029=2...(7) HB3 LYS 68 - HE2 LYS 94 OK 16 46 - 35 - 1.8/3006=3, 2.9/3029=3...(13) HB2 ARG 19 - HE3 LYS 94 OK 14 99 - 15 - 793/3.0=2, 4.1/6314=1...(5) HB2 ARG 19 - HE2 LYS 94 OK 12 80 - 15 - 793/3.0=2, 4.1/6314=1...(5) HB ILE 8 - HE3 LYS 20 OK 11 98 - 11 - 895/3.6=3, 884/3.6=2, 873/4.7=2 HB ILE 8 - HE2 LYS 20 OK 11 98 - 11 - 895/3.6=3, 884/3.6=2, 873/4.7=2 HB2 ARG 19 - HE2 LYS 68 OK 11 97 - 11 - 790/6.3=2, 4.1/6314=1 HB2 ARG 19 - HE3 LYS 68 OK 10 91 - 11 - 790/6.3=2, 4.1/6313=1 HB VAL 54 - HE3 LYS 20 lone 9 99 - 9 - 895/3.6=2, 884/3.6=2, ~10206=1 HB VAL 54 - HE2 LYS 20 lone 9 99 - 9 - 895/3.6=2, 884/3.6=2, ~10206=1 HB2 GLU 43 - HE3 LYS 94 lone 6 68 - 8 - 1.8/10530=1 HG LEU 42 - HE3 LYS 20 lone 5 97 - 5 - 895/3.6=1 HG LEU 42 - HE2 LYS 20 lone 5 97 - 5 - 895/3.6=1 HB2 GLU 43 - HE3 LYS 20 lone 5 70 - 6 - HB2 GLU 43 - HE2 LYS 20 lone 5 69 - 6 - HB VAL 54 - HE2 LYS 68 lone 4 97 - 4 - HB VAL 54 - HE3 LYS 68 lone 4 90 - 4 - HB2 GLU 43 - HE2 LYS 94 lone 4 49 - 8 - HB ILE 8 - HE3 LYS 94 lone 3 97 - 3 - HG LEU 42 - HE2 LYS 68 lone 3 94 - 3 - 1934/7.2=1 HB2 GLU 43 - HE2 LYS 68 lone 3 65 - 4 - HB3 LEU 14 - HE3 LYS 20 lone 3 84 - 3 - HB3 LEU 14 - HE2 LYS 20 lone 3 83 - 3 - HG LEU 42 - HE3 LYS 94 lone 3 96 - 3 - HG LEU 42 - HE3 LYS 68 lone 3 86 - 3 - 1934/7.2=1 HB2 GLU 43 - HE3 LYS 68 lone 3 58 - 4 - HB ILE 8 - HE2 LYS 94 lone 2 76 - 3 - HB ILE 8 - HE2 LYS 68 lone 2 95 - 2 - HG LEU 42 - HE2 LYS 94 lone 2 75 - 3 - HB3 LEU 14 - HE2 LYS 68 lone 2 80 - 3 - HB ILE 8 - HE3 LYS 68 lone 2 88 - 2 - HB3 LEU 14 - HE3 LYS 68 lone 2 72 - 3 - HB VAL 54 - HE3 LYS 94 lone 2 98 - 2 - HB3 LEU 14 - HE3 LYS 94 lone 1 82 - 2 - HB VAL 54 - HE2 LYS 94 lone 1 79 - 2 - HB3 GLU 104 - HE2 LYS 68 lone 1 58 - 2 - HB3 GLU 104 - HE3 LYS 68 lone 1 51 - 2 - HB3 LEU 14 - HE2 LYS 94 lone 1 61 - 2 - HB3 GLU 104 - HE3 LYS 94 lone 1 60 - 2 - HB3 GLU 104 - HE3 LYS 20 lone 1 61 - 1 - HB3 GLU 104 - HE2 LYS 20 lone 1 61 - 1 - HB3 GLU 104 - HE2 LYS 94 lone 1 43 - 2 - Peak 940 from cnoeabs.peaks (1.93, 2.91, 41.80 ppm; 3.72 A): 6 out of 66 assignments used, quality = 1.00: * HB3 LYS 20 + HE3 LYS 20 OK 89 100 - 89 - 4.7=49, 1.8/868=8...(46) HB3 LYS 20 + HE2 LYS 20 OK 89 100 - 89 - 4.7=49, 1.8/868=8...(46) HB2 LYS 94 + HE3 LYS 94 OK 72 85 - 85 - 4.8=47, 3.5/4239=9...(28) HB2 LYS 94 + HE2 LYS 94 OK 54 64 - 85 - 4.8=47, 3.5/4238=9...(31) HB2 LYS 94 + HE2 LYS 20 OK 46 86 - 54 - 1.8/4206=5, ~4205=3...(33) HB2 LYS 94 + HE3 LYS 20 OK 46 87 - 53 - 1.8/4205=5, ~4205=3...(32) HB3 LYS 20 - HE3 LYS 94 OK 44 99 - 44 - 879=5, 1.8/868=4...(23) HB3 LYS 20 - HE2 LYS 68 OK 38 98 - 39 - 879=4, 1.8/867=4...(20) HB2 LYS 94 - HE2 LYS 68 OK 37 83 - 45 - 1.8/4206=4, ~4206=3...(24) HB3 LYS 20 - HE2 LYS 94 OK 37 81 - 46 - 880=5, 1.8/868=4...(24) HB3 LYS 20 - HE3 LYS 68 OK 36 92 - 39 - 879=4, 1.8/867=4...(20) HB2 LYS 94 - HE3 LYS 68 OK 36 75 - 48 - 1.8/4206=4, 2.9/4228=3...(25) HB3 LYS 47 - HE3 LYS 94 OK 35 90 - 39 - ~2139=5, 2151/3.0=5...(16) HB3 ARG 19 - HE3 LYS 20 OK 32 99 - 32 - 801/4.7=5, 896/3.6=5...(12) HB3 ARG 19 - HE2 LYS 20 OK 32 99 - 32 - 801/4.7=5, 896/3.6=5...(12) HB3 LYS 47 - HE2 LYS 94 OK 26 69 - 39 - ~2139=5, 2151/3.0=5...(17) HB2 GLU 17 - HE3 LYS 20 OK 22 97 - 23 - 896/3.6=4, 885/3.6=3...(9) HB2 GLU 17 - HE2 LYS 20 OK 22 97 - 23 - 896/3.6=4, 885/3.6=3...(9) HB3 LYS 47 - HE3 LYS 20 OK 19 92 - 21 - 896/3.6=2, 885/3.6=2...(5) HB3 LYS 47 - HE2 LYS 20 OK 19 91 - 21 - 896/3.6=2, 885/3.6=2...(5) HB3 ARG 19 - HE3 LYS 94 OK 16 98 - 17 - 803/3.0=2, 4.1/6314=2...(6) HB3 ARG 19 - HE2 LYS 94 OK 13 78 - 17 - 803/3.0=2, 4.1/6314=2...(6) HB3 ARG 19 - HE2 LYS 68 OK 12 96 - 12 - 800/6.3=2, 4.1/6314=2 HB2 GLU 17 - HE3 LYS 94 OK 12 96 - 12 - 12027/3.0=2, ~12029=1...(4) HB3 ARG 19 - HE3 LYS 68 OK 11 89 - 12 - 800/6.3=2, 4.1/6313=2 HB2 GLU 17 - HE2 LYS 94 poor 9 75 - 12 - 12027/3.0=2, ~12029=1...(4) HB VAL 32 - HE3 LYS 20 lone 8 98 - 8 - 896/3.6=2, 885/3.6=1, ~8946=1 HB VAL 32 - HE2 LYS 20 lone 8 98 - 8 - 896/3.6=2, 885/3.6=1, ~8946=1 HB2 MET 1 - HE3 LYS 20 lone 7 97 - 7 - 896/3.6=1, 885/3.6=1 HB2 MET 1 - HE2 LYS 20 lone 7 97 - 7 - 896/3.6=1, 885/3.6=1 HB VAL 32 - HE3 LYS 94 lone 6 97 - 6 - ~11009=2 HB VAL 32 - HE2 LYS 68 lone 5 95 - 6 - ~10263=2, ~10160=1 HB VAL 32 - HE3 LYS 68 lone 5 88 - 6 - ~10263=2, ~10160=1 HB2 LYS 13 - HE3 LYS 94 lone 5 64 - 7 - 4243/3.0=1, 4232/3.0=1 HB VAL 32 - HE2 LYS 94 lone 4 76 - 6 - ~11009=2 HB2 LYS 13 - HE2 LYS 94 lone 3 46 - 7 - 4243/3.0=1, 4232/3.0=1 HG3 GLU 88 - HE3 LYS 20 lone 3 94 - 3 - HG3 GLU 88 - HE2 LYS 20 lone 3 94 - 3 - HB2 LYS 33 - HE3 LYS 94 lone 3 68 - 5 - HB2 MET 1 - HE3 LYS 94 lone 3 96 - 3 - HB3 LYS 47 - HE2 LYS 68 lone 3 88 - 3 - HB3 LYS 47 - HE3 LYS 68 lone 3 80 - 4 - HB3 LYS 33 - HE3 LYS 94 lone 3 60 - 5 - HB2 MET 1 - HE2 LYS 94 lone 2 75 - 3 - HB2 GLU 17 - HE2 LYS 68 lone 2 94 - 3 - HB2 LYS 33 - HE2 LYS 94 lone 2 49 - 5 - HG3 GLU 88 - HE2 LYS 68 lone 2 90 - 2 - 9914/10199=1 HB2 GLU 17 - HE3 LYS 68 lone 2 86 - 3 - HB3 LYS 33 - HE2 LYS 94 lone 2 43 - 5 - HG3 GLU 88 - HE3 LYS 68 lone 2 82 - 2 - 9914/10199=1 HB2 MET 1 - HE2 LYS 68 lone 1 94 - 1 - HB2 MET 1 - HE3 LYS 68 lone 1 86 - 1 - HB2 LYS 13 - HE3 LYS 20 lone 1 65 - 2 - HB2 LYS 13 - HE2 LYS 20 lone 1 65 - 2 - HG3 GLU 88 - HE3 LYS 94 lone 1 92 - 1 - HB2 LYS 33 - HE3 LYS 20 lone 1 70 - 1 - HB2 LYS 33 - HE2 LYS 20 lone 1 69 - 1 - HB3 LYS 33 - HE3 LYS 20 lone 1 61 - 1 - HB3 LYS 33 - HE2 LYS 20 lone 1 61 - 1 - HG3 GLU 88 - HE2 LYS 94 lone 1 71 - 1 - HB2 LYS 13 - HE2 LYS 68 lone 1 61 - 1 - HB2 LYS 13 - HE3 LYS 68 lone 1 55 - 1 - HB2 LYS 33 - HE2 LYS 68 lone 0 65 - 1 - HB2 LYS 33 - HE3 LYS 68 lone 0 58 - 1 - HB3 LYS 33 - HE2 LYS 68 lone 0 58 - 1 - HB3 LYS 33 - HE3 LYS 68 lone 0 51 - 1 - Peak 941 from cnoeabs.peaks (1.46, 2.91, 41.80 ppm; 3.34 A): 2 out of 84 assignments used, quality = 0.99: * HG2 LYS 20 + HE3 LYS 20 OK 93 100 - 93 - 3.6=82, 887/3.0=6...(33) HG2 LYS 20 + HE2 LYS 20 OK 93 100 - 93 - 3.6=82, 887/3.0=6...(34) HG2 LYS 20 - HE3 LYS 94 OK 34 99 - 34 - 1.8/902=3, 891=3...(13) HG2 LYS 20 - HE2 LYS 68 OK 29 98 - 30 - 1.8/901=3, 890=3...(13) HG2 LYS 20 - HE2 LYS 94 OK 28 81 - 35 - 1.8/902=3, 891=3...(12) HG2 LYS 20 - HE3 LYS 68 OK 28 92 - 30 - 1.8/901=3, 890=3...(13) HG3 LYS 39 - HE2 LYS 68 OK 26 69 - 37 - 1717/3.6=3, 1719/3.0=3...(17) HG3 LYS 39 - HE3 LYS 68 OK 23 62 - 38 - 1717/3.6=3, 1719/3.0=3...(17) HB2 LEU 27 - HE3 LYS 94 OK 19 99 - 20 - 1192/3.0=3, 1191/3.9=2...(7) HG2 LYS 53 - HE3 LYS 20 OK 17 98 - 17 - 897/3.6=2, 884/4.7=1...(7) HG2 LYS 53 - HE2 LYS 20 OK 17 98 - 17 - 897/3.6=2, 884/4.7=1...(7) HD2 LYS 53 - HE3 LYS 20 OK 17 100 - 17 - 2440/3.0=3, 2440/3.0=2...(6) HD2 LYS 53 - HE2 LYS 20 OK 17 100 - 17 - 2440/3.0=3, 2440/3.0=2...(6) HG3 LYS 53 - HE3 LYS 20 OK 16 90 - 18 - 897/3.6=2, 863/4.7=1...(6) HG3 LYS 53 - HE2 LYS 20 OK 16 89 - 18 - 897/3.6=2, 863/4.7=1...(6) HB2 LEU 27 - HE2 LYS 94 OK 16 81 - 20 - 1192/3.0=3, 1191/3.9=2...(7) HG3 ARG 91 - HE3 LYS 20 OK 16 99 - 16 - 897/3.6=2, ~4039=1...(7) HG3 ARG 91 - HE2 LYS 20 OK 16 99 - 16 - 897/3.6=2, ~4039=1...(7) HD2 LYS 40 - HE2 LYS 68 OK 11 94 - 12 - HD3 LYS 40 - HE2 LYS 68 OK 11 92 - 12 - HD2 LYS 40 - HE3 LYS 68 OK 10 86 - 12 - HD3 LYS 40 - HE3 LYS 68 poor 10 84 - 12 - HG13 ILE 52 - HE3 LYS 20 lone 10 100 - 10 - 897/3.6=2, 2368/3.0=1...(4) HG13 ILE 52 - HE2 LYS 20 lone 10 100 - 10 - 897/3.6=2, 2368/3.0=1...(4) HD2 LYS 40 - HE3 LYS 20 lone 9 97 - 10 - 897/3.6=1 HD2 LYS 40 - HE2 LYS 20 lone 9 97 - 10 - 897/3.6=1 HD3 LYS 40 - HE3 LYS 20 lone 9 96 - 10 - 897/3.6=1 HD3 LYS 40 - HE2 LYS 20 lone 9 95 - 10 - 897/3.6=1 HG2 LYS 12 - HE2 LYS 68 lone 7 83 - 8 - HB2 LEU 38 - HE2 LYS 20 lone 7 100 - 6 - 897/3.6=1 HB2 LEU 38 - HE3 LYS 20 lone 7 100 - 6 - 897/3.6=1 HG LEU 38 - HE3 LYS 20 lone 6 100 - 6 - 897/3.6=1 HG LEU 38 - HE2 LYS 20 lone 6 100 - 6 - 897/3.6=1 HG2 LYS 12 - HE3 LYS 68 lone 6 75 - 8 - HG3 LYS 39 - HE3 LYS 94 lone 6 71 - 8 - HB2 LEU 27 - HE2 LYS 20 lone 6 100 - 6 - HB2 LEU 27 - HE3 LYS 20 lone 6 100 - 6 - HG2 LYS 53 - HE2 LYS 68 lone 5 95 - 5 - HG3 LYS 39 - HE2 LYS 94 lone 5 52 - 9 - HG2 LYS 53 - HE3 LYS 68 lone 4 88 - 5 - HB2 LEU 27 - HE2 LYS 68 lone 4 98 - 4 - HB2 LEU 27 - HE3 LYS 68 lone 4 92 - 5 - HG3 LYS 53 - HE2 LYS 68 lone 4 85 - 5 - HD2 LYS 53 - HE2 LYS 68 lone 4 98 - 4 - 2439/5.0=1 HG3 LYS 53 - HE3 LYS 68 lone 4 78 - 5 - HG2 LYS 12 - HE3 LYS 94 lone 4 85 - 4 - HD2 LYS 53 - HE3 LYS 68 lone 3 91 - 4 - 2439/5.0=1 HB2 LEU 38 - HE3 LYS 94 lone 3 99 - 3 - HG LEU 38 - HE2 LYS 68 lone 3 98 - 3 - HG2 LYS 12 - HE2 LYS 94 lone 3 64 - 4 - HG LEU 38 - HE3 LYS 68 lone 3 91 - 3 - HB2 LEU 38 - HE2 LYS 68 lone 3 98 - 3 - HB2 LEU 38 - HE3 LYS 68 lone 2 91 - 3 - HB2 LEU 38 - HE2 LYS 94 lone 2 80 - 3 - HG3 ARG 91 - HE3 LYS 94 lone 2 98 - 2 - HG3 LYS 39 - HE3 LYS 20 lone 2 73 - 3 - HG3 LYS 39 - HE2 LYS 20 lone 2 73 - 3 - HD2 LYS 82 - HE2 LYS 20 lone 2 100 - 2 - HD2 LYS 82 - HE3 LYS 20 lone 2 100 - 2 - HG13 ILE 52 - HE2 LYS 68 lone 2 98 - 2 - HG3 ARG 91 - HE2 LYS 94 lone 2 78 - 2 - HG2 LYS 12 - HE3 LYS 20 lone 2 87 - 2 - HG2 LYS 12 - HE2 LYS 20 lone 2 86 - 2 - HD2 LYS 82 - HE2 LYS 68 lone 2 98 - 2 - HG13 ILE 52 - HE3 LYS 68 lone 2 92 - 2 - HD2 LYS 40 - HE3 LYS 94 lone 2 96 - 2 - HD3 LYS 40 - HE3 LYS 94 lone 2 94 - 2 - HD2 LYS 82 - HE3 LYS 68 lone 2 91 - 2 - HG LEU 38 - HE3 LYS 94 lone 2 99 - 2 - HG2 LYS 53 - HE3 LYS 94 lone 2 97 - 2 - HD2 LYS 53 - HE3 LYS 94 lone 1 99 - 1 - HG3 ARG 91 - HE2 LYS 68 lone 1 96 - 1 - HD2 LYS 40 - HE2 LYS 94 lone 1 75 - 2 - HG3 ARG 91 - HE3 LYS 68 lone 1 89 - 1 - HD3 LYS 40 - HE2 LYS 94 lone 1 73 - 2 - HG3 LYS 53 - HE3 LYS 94 lone 1 88 - 1 - HG2 LYS 53 - HE2 LYS 94 lone 1 76 - 2 - HG LEU 38 - HE2 LYS 94 lone 1 80 - 2 - HG13 ILE 52 - HE3 LYS 94 lone 1 99 - 1 - HD2 LYS 53 - HE2 LYS 94 lone 1 80 - 1 - HD2 LYS 82 - HE3 LYS 94 lone 1 99 - 1 - HG3 LYS 53 - HE2 LYS 94 lone 1 66 - 1 - HG13 ILE 52 - HE2 LYS 94 lone 1 81 - 1 - HD2 LYS 82 - HE2 LYS 94 lone 1 80 - 1 - Peak 942 from cnoeabs.peaks (1.67, 2.91, 41.80 ppm; 2.70 A): 6 out of 78 assignments used, quality = 1.00: HD3 LYS 20 + HE3 LYS 20 OK 78 100 - 78 - 3.0=74, 887/3.6=3...(8) HD3 LYS 20 + HE2 LYS 20 OK 78 100 - 78 - 3.0=74, 889/3.6=3...(8) HD2 LYS 20 + HE3 LYS 20 OK 78 100 - 78 - 3.0=74, 887/3.6=3...(8) HD2 LYS 20 + HE2 LYS 20 OK 78 100 - 78 - 3.0=74, 887/3.6=3...(8) * HG3 LYS 20 + HE3 LYS 20 OK 65 100 - 66 - 3.6=44, 3.0/868=3...(22) HG3 LYS 20 + HE2 LYS 20 OK 65 100 - 66 - 3.6=44, 3.0/868=3...(22) HG3 LYS 20 - HE3 LYS 94 OK 21 99 - 21 - 902=2, 902/1.8=2...(7) HD3 LYS 20 - HE3 LYS 94 OK 19 99 - 19 - 2.8/902=1, 3.5/868=1...(6) HD2 LYS 20 - HE3 LYS 94 OK 18 99 - 19 - 2.8/902=1, 3.5/868=1...(6) HG3 LYS 20 - HE2 LYS 68 OK 17 98 - 18 - 901=1, 901/1.8=1...(5) HG3 LYS 20 - HE2 LYS 94 OK 17 81 - 22 - 902=2, 901/1.8=2...(7) HG3 LYS 20 - HE3 LYS 68 OK 16 92 - 18 - 901=2, 901/1.8=1...(5) HD3 LYS 20 - HE2 LYS 94 OK 15 81 - 19 - 2.8/902=1, 3.5/868=1...(6) HD2 LYS 20 - HE2 LYS 94 OK 15 80 - 19 - 2.8/902=1, 3.5/868=1...(6) HD3 LYS 20 - HE2 LYS 68 OK 13 98 - 13 - 2.8/901=1, 3.5/867=1...(4) HD2 LYS 20 - HE2 LYS 68 OK 13 97 - 13 - 2.8/901=1, 3.5/867=1...(4) HD3 LYS 20 - HE3 LYS 68 OK 12 92 - 13 - 2.8/901=1, 3.5/867=1...(4) HD2 LYS 20 - HE3 LYS 68 OK 12 91 - 13 - 2.8/901=1, 3.5/867=1...(4) HD2 LYS 47 - HE3 LYS 94 poor 10 97 - 10 - 2184/3.0=2, ~4247=1 HD3 LYS 47 - HE3 LYS 94 poor 10 96 - 10 - 2184/3.0=2, ~4247=1 HB3 LYS 40 - HE2 LYS 68 lone 9 90 - 10 - 1797/3.0=2, 1797/3.0=2...(4) HB3 ARG 91 - HE3 LYS 20 lone 8 96 - 9 - HB3 ARG 91 - HE2 LYS 20 lone 8 95 - 9 - HB3 LYS 40 - HE3 LYS 68 lone 8 82 - 10 - 1797/3.0=2, 1797/3.0=2...(4) HD2 LYS 47 - HE2 LYS 94 poor 8 76 - 10 - 2184/3.0=2, ~4247=1 HD3 LYS 47 - HE2 LYS 94 poor 8 75 - 10 - 2184/3.0=2, ~4247=1 HB3 LYS 53 - HE3 LYS 20 lone 7 90 - 8 - HB3 LYS 53 - HE2 LYS 20 lone 7 89 - 8 - HD2 LYS 47 - HE3 LYS 20 lone 6 98 - 6 - HD2 LYS 47 - HE2 LYS 20 lone 6 98 - 6 - HD3 LYS 47 - HE3 LYS 20 lone 6 97 - 6 - HD3 LYS 47 - HE2 LYS 20 lone 6 97 - 6 - HB ILE 52 - HE3 LYS 20 lone 4 99 - 4 - HB ILE 52 - HE2 LYS 20 lone 4 99 - 4 - HB3 LYS 40 - HE3 LYS 20 lone 4 94 - 4 - HB3 LYS 40 - HE2 LYS 20 lone 4 94 - 4 - HB3 LYS 53 - HE2 LYS 68 lone 3 85 - 3 - HB3 LYS 53 - HE3 LYS 68 lone 3 78 - 3 - HG2 PRO 86 - HE3 LYS 94 lone 2 64 - 4 - HB3 LYS 40 - HE3 LYS 94 lone 2 92 - 2 - HB3 ARG 91 - HE3 LYS 94 lone 2 94 - 2 - HD2 LYS 73 - HE3 LYS 20 lone 2 97 - 2 - HD2 LYS 73 - HE2 LYS 20 lone 2 97 - 2 - HD3 LYS 73 - HE3 LYS 20 lone 2 94 - 2 - HD3 LYS 73 - HE2 LYS 20 lone 2 94 - 2 - HG2 PRO 86 - HE2 LYS 94 lone 2 46 - 4 - HB3 ARG 91 - HE2 LYS 94 lone 2 73 - 2 - HB3 LYS 40 - HE2 LYS 94 lone 1 71 - 2 - HD2 LYS 73 - HE3 LYS 94 lone 1 96 - 1 - HD3 LYS 73 - HE3 LYS 94 lone 1 92 - 1 - HD2 LYS 73 - HE2 LYS 94 lone 1 75 - 1 - HD2 LYS 47 - HE2 LYS 68 lone 1 95 - 1 - HD3 LYS 47 - HE2 LYS 68 lone 1 94 - 1 - HD3 LYS 73 - HE2 LYS 94 lone 1 71 - 1 - HB3 ARG 91 - HE2 LYS 68 lone 1 92 - 1 - HD2 LYS 47 - HE3 LYS 68 lone 1 88 - 1 - HD3 LYS 47 - HE3 LYS 68 lone 1 86 - 1 - HB3 ARG 91 - HE3 LYS 68 lone 1 84 - 1 - HB3 LYS 53 - HE3 LYS 94 lone 1 88 - 1 - HG2 PRO 86 - HE2 LYS 20 lone 1 65 - 1 - HG2 PRO 86 - HE3 LYS 20 lone 1 65 - 1 - HB ILE 52 - HE2 LYS 68 lone 1 97 - 1 - HG12 ILE 15 - HE3 LYS 94 lone 1 60 - 1 - HB ILE 52 - HE3 LYS 68 lone 1 90 - 1 - HG12 ILE 15 - HE3 LYS 20 lone 1 61 - 1 - HG12 ILE 15 - HE2 LYS 20 lone 1 61 - 1 - HD2 LYS 73 - HE2 LYS 68 lone 1 94 - 1 - HB3 LYS 53 - HE2 LYS 94 lone 1 66 - 1 - HD3 LYS 73 - HE2 LYS 68 lone 0 90 - 1 - HB ILE 52 - HE3 LYS 94 lone 0 98 - 0 - HD2 LYS 73 - HE3 LYS 68 lone 0 86 - 1 - HD3 LYS 73 - HE3 LYS 68 lone 0 82 - 1 - HG12 ILE 15 - HE2 LYS 94 lone 0 43 - 1 - HB ILE 52 - HE2 LYS 94 lone 0 79 - 0 - HG2 PRO 86 - HE2 LYS 68 lone 0 61 - 1 - HG12 ILE 15 - HE2 LYS 68 lone 0 58 - 1 - HG12 ILE 15 - HE3 LYS 68 lone 0 51 - 1 - HG2 PRO 86 - HE3 LYS 68 lone 0 55 - 1 - Peak 943 from cnoeabs.peaks (1.68, 2.91, 41.80 ppm; 2.70 A): 6 out of 96 assignments used, quality = 1.00: * HD2 LYS 20 + HE3 LYS 20 OK 78 100 - 78 - 3.0=74, 889/3.6=3...(8) HD2 LYS 20 + HE2 LYS 20 OK 78 100 - 78 - 3.0=74, 887/3.6=3...(8) HD3 LYS 20 + HE3 LYS 20 OK 78 100 - 78 - 3.0=74, 887/3.6=3...(8) HD3 LYS 20 + HE2 LYS 20 OK 78 100 - 78 - 3.0=74, 887/3.6=3...(8) HG3 LYS 20 + HE3 LYS 20 OK 65 100 - 65 - 3.6=44, 3.0/868=3...(22) HG3 LYS 20 + HE2 LYS 20 OK 65 100 - 66 - 3.6=44, 3.0/868=3...(22) HG3 LYS 20 - HE3 LYS 94 OK 21 99 - 21 - 902=2, 902/1.8=2...(7) HD2 LYS 20 - HE3 LYS 94 OK 19 99 - 19 - 2.8/902=1, 3.5/868=1...(6) HD3 LYS 20 - HE3 LYS 94 OK 18 99 - 19 - 2.8/902=1, 3.5/868=1...(6) HG3 LYS 20 - HE2 LYS 68 OK 17 97 - 18 - 901=1, 901/1.8=1...(5) HG3 LYS 20 - HE2 LYS 94 OK 17 80 - 22 - 902=2, 901/1.8=2...(7) HG3 LYS 20 - HE3 LYS 68 OK 16 91 - 18 - 901=2, 901/1.8=1...(5) HD2 LYS 20 - HE2 LYS 94 OK 15 81 - 19 - 2.8/902=1, 3.5/868=1...(6) HD3 LYS 20 - HE2 LYS 94 OK 15 80 - 19 - 2.8/902=1, 3.5/868=1...(6) HD2 LYS 20 - HE2 LYS 68 OK 13 98 - 13 - 2.8/901=1, 3.5/867=1...(4) HD3 LYS 20 - HE2 LYS 68 OK 13 97 - 13 - 2.8/901=1, 3.5/867=1...(4) HD2 LYS 20 - HE3 LYS 68 OK 12 92 - 13 - 2.8/901=1, 3.5/867=1...(4) HD3 LYS 20 - HE3 LYS 68 OK 12 91 - 13 - 2.8/901=1, 3.5/867=1...(4) HD2 LYS 47 - HE3 LYS 94 poor 10 99 - 10 - 2195/3.0=2, ~4247=1 HD3 LYS 47 - HE3 LYS 94 poor 10 98 - 10 - 2195/3.0=2, ~4247=1 HB3 LYS 40 - HE2 LYS 68 poor 10 95 - 10 - 1797/3.0=2, 1797/3.0=2...(4) HB3 LYS 40 - HE3 LYS 68 poor 9 88 - 10 - 1797/3.0=2, 1797/3.0=2...(4) HB3 ARG 91 - HE3 LYS 20 lone 9 99 - 9 - HB3 ARG 91 - HE2 LYS 20 lone 9 99 - 9 - HD2 LYS 47 - HE2 LYS 94 poor 8 80 - 10 - 2195/3.0=2, ~4247=1 HD3 LYS 47 - HE2 LYS 94 poor 8 79 - 10 - 2195/3.0=2, ~4247=1 HB3 LYS 53 - HE3 LYS 20 lone 7 96 - 8 - HB3 LYS 53 - HE2 LYS 20 lone 7 95 - 8 - HD2 LYS 47 - HE3 LYS 20 lone 6 100 - 6 - HD2 LYS 47 - HE2 LYS 20 lone 6 100 - 6 - HD3 LYS 47 - HE3 LYS 20 lone 6 99 - 6 - HD3 LYS 47 - HE2 LYS 20 lone 6 99 - 6 - HB3 LYS 40 - HE3 LYS 20 lone 4 98 - 4 - HB3 LYS 40 - HE2 LYS 20 lone 4 98 - 4 - HB ILE 52 - HE3 LYS 20 lone 4 97 - 4 - HB ILE 52 - HE2 LYS 20 lone 4 97 - 4 - HB3 LYS 53 - HE2 LYS 68 lone 3 92 - 4 - HB3 LYS 53 - HE3 LYS 68 lone 3 84 - 4 - HG2 PRO 86 - HE3 LYS 94 lone 3 75 - 4 - HD3 LYS 90 - HE3 LYS 94 lone 2 60 - 4 - HB3 LYS 40 - HE3 LYS 94 lone 2 97 - 2 - HB3 ARG 91 - HE3 LYS 94 lone 2 98 - 2 - HG2 PRO 86 - HE2 LYS 94 lone 2 55 - 4 - HB3 ARG 91 - HE2 LYS 94 lone 2 78 - 2 - HB3 LYS 40 - HE2 LYS 94 lone 2 76 - 2 - HD2 LYS 73 - HE3 LYS 20 lone 2 92 - 2 - HD2 LYS 73 - HE2 LYS 20 lone 2 91 - 2 - HD3 LYS 73 - HE3 LYS 20 lone 1 87 - 2 - HD3 LYS 73 - HE2 LYS 20 lone 1 86 - 2 - HD2 LYS 73 - HE3 LYS 94 lone 1 90 - 1 - HD3 LYS 73 - HE3 LYS 94 lone 1 85 - 1 - HB3 ARG 91 - HE2 LYS 68 lone 1 96 - 1 - HD2 LYS 47 - HE2 LYS 68 lone 1 97 - 1 - HD3 LYS 47 - HE2 LYS 68 lone 1 97 - 1 - HD2 LYS 47 - HE3 LYS 68 lone 1 91 - 1 - HB3 ARG 91 - HE3 LYS 68 lone 1 89 - 1 - HD3 LYS 90 - HE2 LYS 94 lone 1 43 - 2 - HD3 LYS 47 - HE3 LYS 68 lone 1 90 - 1 - HD2 LYS 73 - HE2 LYS 94 lone 1 69 - 1 - HG2 PRO 86 - HE2 LYS 20 lone 1 77 - 1 - HG2 PRO 86 - HE3 LYS 20 lone 1 77 - 1 - HG12 ILE 15 - HE3 LYS 94 lone 1 71 - 1 - HB3 LYS 53 - HE3 LYS 94 lone 1 94 - 1 - HD3 LYS 73 - HE2 LYS 94 lone 1 64 - 1 - HG12 ILE 15 - HE3 LYS 20 lone 1 73 - 1 - HG12 ILE 15 - HE2 LYS 20 lone 1 73 - 1 - HD3 LYS 90 - HE2 LYS 68 lone 1 58 - 1 - HB ILE 52 - HE2 LYS 68 lone 1 94 - 1 - HD3 LYS 90 - HE3 LYS 68 lone 1 51 - 1 - HB3 LYS 53 - HE2 LYS 94 lone 1 73 - 1 - HB ILE 52 - HE3 LYS 68 lone 1 86 - 1 - HD2 LYS 73 - HE2 LYS 68 lone 0 88 - 1 - HG12 ILE 15 - HE2 LYS 94 lone 0 52 - 1 - HB ILE 52 - HE3 LYS 94 lone 0 96 - 0 - HG12 ILE 15 - HE2 LYS 68 lone 0 69 - 1 - HG2 PRO 86 - HE2 LYS 68 lone 0 73 - 1 - HD3 LYS 73 - HE2 LYS 68 lone 0 83 - 1 - HD2 LYS 73 - HE3 LYS 68 lone 0 80 - 1 - HG12 ILE 15 - HE3 LYS 68 lone 0 62 - 1 - HG2 PRO 86 - HE3 LYS 68 lone 0 65 - 1 - HD3 LYS 73 - HE3 LYS 68 lone 0 75 - 0 - HD2 LYS 24 - HE3 LYS 94 lone 0 64 - 1 - HB ILE 52 - HE2 LYS 94 lone 0 75 - 0 - HD3 LYS 24 - HE3 LYS 94 lone 0 60 - 1 - HD3 LYS 90 - HE3 LYS 20 lone 0 61 - 1 - HD3 LYS 90 - HE2 LYS 20 lone 0 61 - 1 - HD2 LYS 24 - HE3 LYS 20 lone 0 65 - 0 - HD2 LYS 24 - HE2 LYS 20 lone 0 65 - 0 - HD2 LYS 24 - HE2 LYS 94 lone 0 46 - 1 - HD3 LYS 24 - HE3 LYS 20 lone 0 61 - 0 - HD3 LYS 24 - HE2 LYS 20 lone 0 61 - 0 - HD3 LYS 24 - HE2 LYS 94 lone 0 43 - 1 - HD2 LYS 24 - HE2 LYS 68 lone 0 61 - 0 - HD3 LYS 24 - HE2 LYS 68 lone 0 58 - 0 - HD2 LYS 24 - HE3 LYS 68 lone 0 55 - 0 - HD3 LYS 24 - HE3 LYS 68 lone 0 51 - 0 - Peak 944 from cnoeabs.peaks (1.67, 2.91, 41.80 ppm; 2.70 A): 6 out of 78 assignments used, quality = 1.00: * HD3 LYS 20 + HE3 LYS 20 OK 78 100 - 78 - 3.0=74, 887/3.6=3...(8) HD3 LYS 20 + HE2 LYS 20 OK 78 100 - 78 - 3.0=74, 889/3.6=3...(8) HD2 LYS 20 + HE3 LYS 20 OK 78 100 - 78 - 3.0=74, 887/3.6=3...(8) HD2 LYS 20 + HE2 LYS 20 OK 78 100 - 78 - 3.0=74, 887/3.6=3...(8) HG3 LYS 20 + HE3 LYS 20 OK 65 100 - 66 - 3.6=44, 3.0/868=3...(22) HG3 LYS 20 + HE2 LYS 20 OK 65 100 - 66 - 3.6=44, 3.0/868=3...(22) HG3 LYS 20 - HE3 LYS 94 OK 21 99 - 21 - 902=2, 902/1.8=2...(7) HD3 LYS 20 - HE3 LYS 94 OK 19 99 - 19 - 2.8/902=1, 3.5/868=1...(6) HD2 LYS 20 - HE3 LYS 94 OK 18 99 - 19 - 2.8/902=1, 3.5/868=1...(6) HG3 LYS 20 - HE2 LYS 68 OK 17 98 - 18 - 901=1, 901/1.8=1...(5) HG3 LYS 20 - HE2 LYS 94 OK 17 81 - 22 - 902=2, 901/1.8=2...(7) HG3 LYS 20 - HE3 LYS 68 OK 16 92 - 18 - 901=2, 901/1.8=1...(5) HD3 LYS 20 - HE2 LYS 94 OK 15 81 - 19 - 2.8/902=1, 3.5/868=1...(6) HD2 LYS 20 - HE2 LYS 94 OK 15 80 - 19 - 2.8/902=1, 3.5/868=1...(6) HD3 LYS 20 - HE2 LYS 68 OK 13 98 - 13 - 2.8/901=1, 3.5/867=1...(4) HD2 LYS 20 - HE2 LYS 68 OK 13 97 - 13 - 2.8/901=1, 3.5/867=1...(4) HD3 LYS 20 - HE3 LYS 68 OK 12 92 - 13 - 2.8/901=1, 3.5/867=1...(4) HD2 LYS 20 - HE3 LYS 68 OK 12 91 - 13 - 2.8/901=1, 3.5/867=1...(4) HD2 LYS 47 - HE3 LYS 94 poor 10 97 - 10 - 2184/3.0=2, ~4247=1 HD3 LYS 47 - HE3 LYS 94 poor 10 96 - 10 - 2184/3.0=2, ~4247=1 HB3 LYS 40 - HE2 LYS 68 lone 9 90 - 10 - 1797/3.0=2, 1797/3.0=2...(4) HB3 ARG 91 - HE3 LYS 20 lone 8 96 - 9 - HB3 ARG 91 - HE2 LYS 20 lone 8 95 - 9 - HB3 LYS 40 - HE3 LYS 68 lone 8 82 - 10 - 1797/3.0=2, 1797/3.0=2...(4) HD2 LYS 47 - HE2 LYS 94 poor 8 76 - 10 - 2184/3.0=2, ~4247=1 HD3 LYS 47 - HE2 LYS 94 poor 8 75 - 10 - 2184/3.0=2, ~4247=1 HB3 LYS 53 - HE3 LYS 20 lone 7 90 - 8 - HB3 LYS 53 - HE2 LYS 20 lone 7 89 - 8 - HD2 LYS 47 - HE3 LYS 20 lone 6 98 - 6 - HD2 LYS 47 - HE2 LYS 20 lone 6 98 - 6 - HD3 LYS 47 - HE3 LYS 20 lone 6 97 - 6 - HD3 LYS 47 - HE2 LYS 20 lone 6 97 - 6 - HB ILE 52 - HE3 LYS 20 lone 4 99 - 4 - HB ILE 52 - HE2 LYS 20 lone 4 99 - 4 - HB3 LYS 40 - HE3 LYS 20 lone 4 94 - 4 - HB3 LYS 40 - HE2 LYS 20 lone 4 94 - 4 - HB3 LYS 53 - HE2 LYS 68 lone 3 85 - 3 - HB3 LYS 53 - HE3 LYS 68 lone 3 78 - 3 - HG2 PRO 86 - HE3 LYS 94 lone 2 64 - 4 - HB3 LYS 40 - HE3 LYS 94 lone 2 92 - 2 - HB3 ARG 91 - HE3 LYS 94 lone 2 94 - 2 - HD2 LYS 73 - HE3 LYS 20 lone 2 97 - 2 - HD2 LYS 73 - HE2 LYS 20 lone 2 97 - 2 - HD3 LYS 73 - HE3 LYS 20 lone 2 94 - 2 - HD3 LYS 73 - HE2 LYS 20 lone 2 94 - 2 - HG2 PRO 86 - HE2 LYS 94 lone 2 46 - 4 - HB3 ARG 91 - HE2 LYS 94 lone 2 73 - 2 - HB3 LYS 40 - HE2 LYS 94 lone 1 71 - 2 - HD2 LYS 73 - HE3 LYS 94 lone 1 96 - 1 - HD3 LYS 73 - HE3 LYS 94 lone 1 92 - 1 - HD2 LYS 73 - HE2 LYS 94 lone 1 75 - 1 - HD2 LYS 47 - HE2 LYS 68 lone 1 95 - 1 - HD3 LYS 47 - HE2 LYS 68 lone 1 94 - 1 - HD3 LYS 73 - HE2 LYS 94 lone 1 71 - 1 - HB3 ARG 91 - HE2 LYS 68 lone 1 92 - 1 - HD2 LYS 47 - HE3 LYS 68 lone 1 88 - 1 - HD3 LYS 47 - HE3 LYS 68 lone 1 86 - 1 - HB3 ARG 91 - HE3 LYS 68 lone 1 84 - 1 - HB3 LYS 53 - HE3 LYS 94 lone 1 88 - 1 - HG2 PRO 86 - HE2 LYS 20 lone 1 65 - 1 - HG2 PRO 86 - HE3 LYS 20 lone 1 65 - 1 - HB ILE 52 - HE2 LYS 68 lone 1 97 - 1 - HG12 ILE 15 - HE3 LYS 94 lone 1 60 - 1 - HB ILE 52 - HE3 LYS 68 lone 1 90 - 1 - HG12 ILE 15 - HE3 LYS 20 lone 1 61 - 1 - HG12 ILE 15 - HE2 LYS 20 lone 1 61 - 1 - HD2 LYS 73 - HE2 LYS 68 lone 1 94 - 1 - HB3 LYS 53 - HE2 LYS 94 lone 1 66 - 1 - HD3 LYS 73 - HE2 LYS 68 lone 0 90 - 1 - HB ILE 52 - HE3 LYS 94 lone 0 98 - 0 - HD2 LYS 73 - HE3 LYS 68 lone 0 86 - 1 - HD3 LYS 73 - HE3 LYS 68 lone 0 82 - 1 - HG12 ILE 15 - HE2 LYS 94 lone 0 43 - 1 - HB ILE 52 - HE2 LYS 94 lone 0 79 - 0 - HG2 PRO 86 - HE2 LYS 68 lone 0 61 - 1 - HG12 ILE 15 - HE2 LYS 68 lone 0 58 - 1 - HG12 ILE 15 - HE3 LYS 68 lone 0 51 - 1 - HG2 PRO 86 - HE3 LYS 68 lone 0 55 - 1 - Peak 945 from cnoeabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HE3 LYS 20 + HE3 LYS 20 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 99 99 - 100 HE2 LYS 68 + HE2 LYS 68 OK 98 98 - 100 HE3 LYS 68 + HE3 LYS 68 OK 90 90 - 100 HE2 LYS 94 + HE2 LYS 94 OK 73 73 - 100 Reference assignment not found: HE2 LYS 20 - HE3 LYS 20 Peak 946 from cnoeabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HE3 LYS 20 + HE3 LYS 20 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 99 99 - 100 HE2 LYS 68 + HE2 LYS 68 OK 97 97 - 100 HE3 LYS 68 + HE3 LYS 68 OK 89 89 - 100 HE2 LYS 94 + HE2 LYS 94 OK 75 75 - 100 Peak 948 from cnoeabs.peaks (7.68, 4.41, 57.01 ppm; 3.55 A): 2 out of 6 assignments used, quality = 1.00: * H MET 21 + HA MET 21 OK 100 100 - 100 - 3.0=100 HD22 ASN 51 + HA MET 21 OK 50 100 - 50 - 960/3.0=8, 977/3.9=7...(18) H SER 85 - HA MET 21 OK 21 99 - 21 - 6345/3.6=3, 960/3.0=3...(8) H MET 21 - HA HIS 106 OK 18 94 - 20 - 6332=5, 4.0/961=2...(10) HD22 ASN 51 - HA HIS 106 lone 3 94 - 3 - H SER 85 - HA HIS 106 lone 2 92 - 2 - Peak 949 from cnoeabs.peaks (4.41, 4.41, 57.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA MET 21 + HA MET 21 OK 100 100 - 100 HA HIS 106 + HA HIS 106 OK 92 92 - 100 Peak 950 from cnoeabs.peaks (2.05, 4.41, 57.01 ppm; 3.44 A): 2 out of 22 assignments used, quality = 1.00: * HB2 MET 21 + HA MET 21 OK 100 100 - 100 - 3.0=100 HG12 ILE 93 + HA MET 21 OK 47 84 - 56 - 6347/3.6=6, 979/3.9=6...(22) HB2 MET 74 - HA MET 21 OK 25 87 - 29 - 1.8/957=5, 2.9/3351=3...(14) HB2 MET 21 - HA HIS 106 OK 18 94 - 19 - 961=4, 1.8/951=2...(12) HB3 GLU 48 - HA MET 21 OK 11 100 - 11 - 6333/3.0=1, 979/3.9=1 HB2 GLU 98 - HA HIS 106 poor 9 90 - 10 - ~11026=8 HB2 MET 74 - HA HIS 106 poor 9 77 - 12 - 1.8/957=2, 2.9/3351=2...(5) HB3 GLU 98 - HA HIS 106 poor 9 88 - 10 - ~11026=8 HB2 GLU 99 - HA MET 21 lone 7 97 - 7 - 6347/3.6=1, 6333/3.0=1 HG3 GLU 28 - HA MET 21 lone 6 84 - 7 - 8583/4.4=1, 6347/3.6=1 HG2 GLU 28 - HA MET 21 lone 6 84 - 7 - 8583/4.4=1, 6347/3.6=1 HB2 GLU 98 - HA MET 21 lone 6 98 - 6 - HB3 GLU 98 - HA MET 21 lone 6 97 - 6 - HB3 GLU 99 - HA MET 21 lone 5 84 - 6 - 6347/3.6=1 HB3 GLU 43 - HA MET 21 lone 2 81 - 2 - HB2 GLU 99 - HA HIS 106 lone 2 88 - 2 - HG12 ILE 93 - HA HIS 106 lone 2 74 - 2 - HB3 GLU 99 - HA HIS 106 lone 2 74 - 2 - HB3 GLU 48 - HA HIS 106 lone 1 93 - 1 - HB3 GLU 43 - HA HIS 106 lone 1 71 - 1 - HG3 GLU 28 - HA HIS 106 lone 0 74 - 1 - HG2 GLU 28 - HA HIS 106 lone 0 74 - 1 - Peak 951 from cnoeabs.peaks (2.40, 4.41, 57.01 ppm; 4.56 A): 3 out of 8 assignments used, quality = 1.00: * HB3 MET 21 + HA MET 21 OK 100 100 - 100 - 3.0=100 HG3 MET 21 + HA MET 21 OK 100 100 - 100 - 3.9=100 HG2 GLN 50 + HA MET 21 OK 50 100 - 51 - 2298=7, 2.9/2282=6...(16) HB3 MET 21 - HA HIS 106 OK 29 94 - 31 - 1.8/961=4, ~11092=3...(13) HG3 MET 21 - HA HIS 106 OK 15 94 - 16 - 3.0/961=4, 1.8/978=3...(6) HG3 MET 1 - HA MET 21 poor 9 61 - 15 - ~8036=3, 6336/3.0=2...(4) HG2 GLN 50 - HA HIS 106 lone 7 94 - 8 - 2298=1 HG3 MET 1 - HA HIS 106 lone 1 53 - 2 - Peak 952 from cnoeabs.peaks (2.94, 4.41, 57.01 ppm; 4.22 A): 2 out of 14 assignments used, quality = 1.00: * HG2 MET 21 + HA MET 21 OK 100 100 - 100 - 3.9=100 HB2 ASN 51 + HA MET 21 OK 59 98 - 60 - 2325/3.0=10, 3.5/948=8...(19) HE3 LYS 90 - HA MET 21 OK 24 99 - 24 - 964/3.0=5, 997/5.3=4...(8) HE3 LYS 73 - HA MET 21 OK 23 98 - 23 - 6335/3.0=2, 4.0/8565=2...(11) HE2 LYS 73 - HA MET 21 OK 21 90 - 23 - 4.0/8565=2, 6335/3.0=2...(10) HG2 MET 21 - HA HIS 106 OK 15 94 - 16 - 978=3, 3.0/961=3...(6) HB2 ASN 10 - HA MET 21 lone 7 87 - 8 - 964/3.0=1, 6335/3.0=1 HB2 ASN 51 - HA HIS 106 lone 4 90 - 5 - HE3 LYS 73 - HA HIS 106 lone 3 90 - 3 - HE2 LYS 73 - HA HIS 106 lone 2 80 - 3 - HE3 LYS 13 - HA MET 21 lone 2 65 - 3 - HE3 LYS 90 - HA HIS 106 lone 2 92 - 2 - HB2 ASN 10 - HA HIS 106 lone 1 77 - 1 - HE3 LYS 13 - HA HIS 106 lone 1 56 - 1 - Peak 953 from cnoeabs.peaks (2.40, 4.41, 57.01 ppm; 4.56 A): 3 out of 8 assignments used, quality = 1.00: * HG3 MET 21 + HA MET 21 OK 100 100 - 100 - 3.9=100 HB3 MET 21 + HA MET 21 OK 100 100 - 100 - 3.0=100 HG2 GLN 50 + HA MET 21 OK 50 100 - 51 - 2298=7, 2.9/2282=6...(16) HB3 MET 21 - HA HIS 106 OK 29 94 - 31 - 1.8/961=4, ~11092=3...(13) HG3 MET 21 - HA HIS 106 OK 15 94 - 16 - 3.0/961=4, 1.8/978=3...(6) HG3 MET 1 - HA MET 21 poor 10 65 - 15 - ~8036=3, 6336/3.0=2...(4) HG2 GLN 50 - HA HIS 106 lone 7 94 - 8 - 2298=1 HG3 MET 1 - HA HIS 106 lone 1 56 - 2 - Peak 954 from cnoeabs.peaks (2.10, 4.41, 57.01 ppm; 3.69 A): 7 out of 18 assignments used, quality = 0.93: * QE MET 21 + HA MET 21 OK 81 100 - 81 - 5.3=34, 995/3.0=22...(17) HB2 GLU 23 + HA MET 21 OK 26 87 - 30 - 6351/3.6=7, 4.6/956=6...(7) HB3 PRO 86 + HA MET 21 OK 17 98 - 18 - 966/3.0=3, 6337/3.0=3...(6) HB VAL 83 + HA MET 21 OK 14 81 - 18 - 9774/3.0=5, ~9779=4...(6) HG3 GLU 37 + HA MET 21 OK 13 90 - 14 - 8827=2, 966/3.0=2...(5) HG3 GLU 104 + HA MET 21 OK 12 100 - 11 - 966/3.0=2, 6337/3.0=2...(5) QE MET 21 + HA HIS 106 OK 11 94 - 11 - 994=3, 4.3/961=2...(5) HB2 LEU 64 - HA MET 21 lone 7 81 - 8 - 966/3.0=1, 6337/3.0=1 HB3 GLU 62 - HA MET 21 lone 6 92 - 6 - 6351/3.6=1 HB2 GLU 23 - HA HIS 106 lone 3 77 - 4 - 4.6/956=1 HG3 GLU 37 - HA HIS 106 lone 3 80 - 3 - HB3 GLU 35 - HA MET 21 lone 2 65 - 3 - HB3 PRO 86 - HA HIS 106 lone 1 90 - 1 - HG3 GLU 104 - HA HIS 106 lone 1 94 - 1 - HB VAL 83 - HA HIS 106 lone 1 71 - 1 - HB3 GLU 62 - HA HIS 106 lone 1 82 - 1 - HB2 LEU 64 - HA HIS 106 lone 1 71 - 1 - HB3 GLU 35 - HA HIS 106 lone 0 56 - 1 - Peak 955 from cnoeabs.peaks (8.81, 4.41, 57.01 ppm; 4.30 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 22 + HA MET 21 OK 100 100 - 100 - 3.6=100 H ALA 22 - HA HIS 106 OK 14 94 - 15 - 6346=3, 4.6/6332=2...(6) H ILE 8 - HA MET 21 OK 10 65 - 15 - 6338/3.0=3, 1008/4.4=3...(7) H SER 59 - HA MET 21 poor 9 65 - 13 - 6338/3.0=3, 967/3.0=2...(6) H ILE 8 - HA HIS 106 lone 1 56 - 2 - H SER 59 - HA HIS 106 lone 1 56 - 1 - Peak 956 from cnoeabs.peaks (7.57, 4.41, 57.01 ppm; 4.36 A): 3 out of 6 assignments used, quality = 0.75: * H LYS 24 + HA MET 21 OK 49 100 - 50 - 6374/3.6=12, 6373=9...(12) H GLU 88 + HA MET 21 OK 39 100 - 39 - 6374/3.6=8, 6373=7...(10) H ILE 76 + HA MET 21 OK 20 84 - 24 - 6355/3.6=4, 3.5/9624=3...(6) H LYS 24 - HA HIS 106 lone 9 94 - 10 - 6373=2, 4.6/6360=1 H ILE 76 - HA HIS 106 lone 4 74 - 6 - 3.5/9624=1, 4.6/7234=1 H GLU 88 - HA HIS 106 lone 4 93 - 4 - Peak 957 from cnoeabs.peaks (1.96, 4.41, 57.01 ppm; 3.47 A): 8 out of 22 assignments used, quality = 0.74: HB3 MET 74 + HA MET 21 OK 26 100 - 26 - 1.8/950=3, 2.9/3351=3...(11) HB3 LYS 24 + HA MET 21 OK 20 100 - 20 - 4.0/956=6, 4.4/6393=3...(6) * HB2 LYS 24 + HA MET 21 OK 20 100 - 20 - 4.0/956=6, 4.4/6393=3...(6) HB3 ARG 46 + HA HIS 106 OK 13 93 - 14 - 3.6/9013=3, 2084/3.0=3...(7) HB2 LYS 73 + HA MET 21 OK 11 99 - 11 - 2.9/8565=2, 4.6/7225=2...(4) HB3 LYS 73 + HA MET 21 OK 11 98 - 11 - 2.9/8565=2, 4.6/7225=2...(4) HB3 MET 74 + HA HIS 106 OK 11 94 - 12 - 1.8/3335=2, 2.9/3351=2...(6) HB2 ARG 46 + HA HIS 106 OK 10 77 - 13 - 3.6/9013=3, 3.6/9012=2...(7) QE MET 1 - HA MET 21 lone 8 81 - 9 - 8036/3.0=2, 8030/3.9=1 HG3 GLU 88 - HA MET 21 poor 7 61 - 11 - 4.9/956=4, ~10301=2...(4) HB2 GLU 37 - HA MET 21 lone 7 77 - 9 - 3.0/8827=2, 1.8/8824=1 HB2 LYS 24 - HA HIS 106 lone 5 94 - 6 - 4.0/956=1 HB3 LYS 24 - HA HIS 106 lone 5 94 - 6 - 4.0/956=1 HB3 ARG 46 - HA MET 21 lone 4 100 - 4 - HB2 LYS 47 - HA MET 21 lone 4 98 - 4 - HB2 LYS 73 - HA HIS 106 lone 3 91 - 3 - HB2 ARG 46 - HA MET 21 lone 3 87 - 4 - HB3 LYS 73 - HA HIS 106 lone 3 90 - 3 - HB2 GLU 37 - HA HIS 106 lone 2 67 - 3 - HB2 LYS 47 - HA HIS 106 lone 1 90 - 1 - QE MET 1 - HA HIS 106 lone 1 71 - 1 - HG3 GLU 88 - HA HIS 106 lone 1 53 - 1 - Peak 958 from cnoeabs.peaks (1.96, 4.41, 57.01 ppm; 3.47 A): 8 out of 22 assignments used, quality = 0.74: HB3 MET 74 + HA MET 21 OK 26 100 - 26 - 1.8/950=3, 2.9/3351=3...(11) * HB3 LYS 24 + HA MET 21 OK 20 100 - 20 - 4.0/956=6, 4.4/6393=3...(6) HB2 LYS 24 + HA MET 21 OK 20 100 - 20 - 4.0/956=6, 4.4/6393=3...(6) HB3 ARG 46 + HA HIS 106 OK 13 93 - 14 - 3.6/9013=3, 2084/3.0=3...(7) HB2 LYS 73 + HA MET 21 OK 11 99 - 11 - 2.9/8565=2, 4.6/7225=2...(4) HB3 LYS 73 + HA MET 21 OK 11 98 - 11 - 2.9/8565=2, 4.6/7225=2...(4) HB3 MET 74 + HA HIS 106 OK 11 94 - 12 - 1.8/3335=2, 2.9/3351=2...(6) HB2 ARG 46 + HA HIS 106 OK 10 77 - 13 - 3.6/9013=3, 3.6/9012=2...(7) QE MET 1 - HA MET 21 lone 8 81 - 9 - 8036/3.0=2, 8030/3.9=1 HG3 GLU 88 - HA MET 21 poor 7 61 - 11 - 4.9/956=4, ~10301=2...(4) HB2 GLU 37 - HA MET 21 lone 7 77 - 9 - 3.0/8827=2, 1.8/8824=1 HB2 LYS 24 - HA HIS 106 lone 5 94 - 6 - 4.0/956=1 HB3 LYS 24 - HA HIS 106 lone 5 94 - 6 - 4.0/956=1 HB3 ARG 46 - HA MET 21 lone 4 100 - 4 - HB2 LYS 47 - HA MET 21 lone 4 98 - 4 - HB2 LYS 73 - HA HIS 106 lone 3 91 - 3 - HB2 ARG 46 - HA MET 21 lone 3 87 - 4 - HB3 LYS 73 - HA HIS 106 lone 3 90 - 3 - HB2 GLU 37 - HA HIS 106 lone 2 67 - 3 - HB2 LYS 47 - HA HIS 106 lone 1 90 - 1 - QE MET 1 - HA HIS 106 lone 1 71 - 1 - HG3 GLU 88 - HA HIS 106 lone 1 53 - 1 - Peak 959 from cnoeabs.peaks (3.77, 2.05, 32.03 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.78: * HA ALA 18 + HB2 MET 21 OK 78 100 - 78 - 6319/4.0=28, 6341/4.6=26...(11) Peak 960 from cnoeabs.peaks (7.68, 2.05, 32.03 ppm; 3.62 A): 3 out of 3 assignments used, quality = 0.95: * H MET 21 + HB2 MET 21 OK 88 100 - 88 - 4.0=72, 6338/4.6=16...(8) HD22 ASN 51 + HB2 MET 21 OK 46 100 - 46 - 977/3.0=9, 948/3.0=7...(16) H SER 85 + HB2 MET 21 OK 18 99 - 18 - 993/4.3=4, 977/3.0=3...(7) Peak 961 from cnoeabs.peaks (4.41, 2.05, 32.03 ppm; 3.70 A): 1 out of 9 assignments used, quality = 1.00: * HA MET 21 + HB2 MET 21 OK 100 100 - 100 - 3.0=100 HA GLN 50 - HB2 MET 21 OK 30 84 - 36 - 2277/1.8=6, 2277/3.0=4...(12) HA MET 74 - HB2 MET 21 OK 27 96 - 28 - 3328=4, 3.0/3344=2...(17) HA ALA 25 - HB2 MET 21 OK 26 100 - 26 - 6346/4.6=4, 978/3.0=4...(11) HA HIS 106 - HB2 MET 21 OK 22 99 - 22 - 950=3, 951/1.8=2...(13) HA VAL 32 - HB2 MET 21 OK 12 100 - 12 - 994/4.3=2, 978/3.0=2, 6332/4.0=1 HA GLU 48 - HB2 MET 21 poor 9 70 - 13 - 3.0/2233=1, 2226=1...(4) HA ILE 76 - HB2 MET 21 poor 7 70 - 10 - 3.8/9664=2, ~956=2...(4) HA SER 9 - HB2 MET 21 lone 2 65 - 3 - Peak 962 from cnoeabs.peaks (2.05, 2.05, 32.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 21 + HB2 MET 21 OK 100 100 - 100 Peak 963 from cnoeabs.peaks (2.40, 2.05, 32.03 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: * HB3 MET 21 + HB2 MET 21 OK 100 100 - 100 - 1.8=100 HG3 MET 21 + HB2 MET 21 OK 100 100 - 100 - 3.0=100 HG2 GLN 50 - HB2 MET 21 OK 30 100 - 30 - 2298/3.0=5, ~2285=4...(12) HG3 MET 1 - HB2 MET 21 lone 4 61 - 7 - ~8030=1 Peak 964 from cnoeabs.peaks (2.94, 2.05, 32.03 ppm; 3.47 A): 1 out of 7 assignments used, quality = 1.00: * HG2 MET 21 + HB2 MET 21 OK 100 100 - 100 - 3.0=100 HB2 ASN 51 - HB2 MET 21 OK 44 98 - 45 - 3.5/960=7, 2325/4.0=5...(20) HE3 LYS 90 - HB2 MET 21 OK 24 99 - 25 - 6.2/8549=4, 997/4.3=4...(11) HE3 LYS 73 - HB2 MET 21 OK 11 98 - 11 - 952/3.0=2, 6335/4.0=1...(4) HE2 LYS 73 - HB2 MET 21 poor 10 90 - 11 - 952/3.0=2, ~952=1, 6335/4.0=1 HB2 ASN 10 - HB2 MET 21 lone 6 87 - 6 - HE3 LYS 13 - HB2 MET 21 lone 1 65 - 1 - Peak 965 from cnoeabs.peaks (2.40, 2.05, 32.03 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: * HG3 MET 21 + HB2 MET 21 OK 100 100 - 100 - 3.0=100 HB3 MET 21 + HB2 MET 21 OK 100 100 - 100 - 1.8=100 HG2 GLN 50 - HB2 MET 21 OK 30 100 - 30 - 2298/3.0=5, ~2285=4...(12) HG3 MET 1 - HB2 MET 21 lone 5 65 - 7 - ~8030=1 Peak 966 from cnoeabs.peaks (2.10, 2.05, 32.03 ppm; 2.90 A): 1 out of 9 assignments used, quality = 0.63: * QE MET 21 + HB2 MET 21 OK 63 100 - 63 - 4.3=31, 997/3.0=11...(11) HB3 PRO 86 - HB2 MET 21 lone 10 98 - 10 - 983/3.0=2, 954/3.0=1...(5) HB2 GLU 23 - HB2 MET 21 poor 9 87 - 11 - 6351/4.6=3, 954/3.0=2...(5) HG3 GLU 104 - HB2 MET 21 lone 7 100 - 6 - 983/3.0=1 HG3 GLU 37 - HB2 MET 21 lone 6 90 - 6 - 954/3.0=1 HB VAL 83 - HB2 MET 21 lone 6 81 - 7 - 9774/4.0=2, 954/3.0=1 HB2 LEU 64 - HB2 MET 21 lone 4 81 - 5 - HB3 GLU 62 - HB2 MET 21 lone 3 92 - 3 - HB3 GLU 35 - HB2 MET 21 lone 1 65 - 1 - Peak 967 from cnoeabs.peaks (8.81, 2.05, 32.03 ppm; 4.19 A): 1 out of 3 assignments used, quality = 0.92: * H ALA 22 + HB2 MET 21 OK 92 100 - 92 - 4.6=74, 6338/4.0=26...(12) H ILE 8 - HB2 MET 21 poor 8 65 - 12 - 984/3.0=2, 955/3.0=2...(6) H SER 59 - HB2 MET 21 poor 7 65 - 11 - 984/3.0=2, 1000/4.3=2...(6) Peak 968 from cnoeabs.peaks (3.77, 2.40, 32.03 ppm; 4.88 A): 2 out of 2 assignments used, quality = 0.98: * HA ALA 18 + HB3 MET 21 OK 89 100 - 89 - 959/1.8=46, 6319/4.0=35...(12) HA ALA 18 + HG3 MET 21 OK 79 98 - 81 - 959/3.0=38, 6319/5.1=27...(12) Peak 969 from cnoeabs.peaks (7.68, 2.40, 32.03 ppm; 3.99 A): 4 out of 6 assignments used, quality = 1.00: * H MET 21 + HB3 MET 21 OK 99 100 - 99 - 4.0=96, 960/1.8=24...(10) H MET 21 + HG3 MET 21 OK 80 98 - 82 - 5.1=48, 960/3.0=19...(11) HD22 ASN 51 + HB3 MET 21 OK 60 100 - 60 - 960/1.8=13, 977/3.0=10...(18) HD22 ASN 51 + HG3 MET 21 OK 54 98 - 55 - 977/1.8=13, 960/3.0=10...(16) H SER 85 - HB3 MET 21 OK 22 99 - 22 - 960/1.8=5, 993/4.3=4...(5) H SER 85 - HG3 MET 21 OK 20 96 - 20 - 993/3.4=6, 977/1.8=5...(4) Peak 970 from cnoeabs.peaks (4.41, 2.40, 32.03 ppm; 4.00 A): 3 out of 18 assignments used, quality = 1.00: * HA MET 21 + HB3 MET 21 OK 100 100 - 100 - 3.0=100 HA MET 21 + HG3 MET 21 OK 98 98 - 100 - 3.9=100 HA GLN 50 + HB3 MET 21 OK 50 84 - 59 - 2277=9, 3.0/2285=8...(20) HA GLN 50 - HG3 MET 21 OK 42 79 - 54 - 2277=8, 3.0/2285=7...(16) HA ALA 25 - HB3 MET 21 OK 32 100 - 33 - 6346/4.6=5, 961/1.8=5...(11) HA ALA 25 - HG3 MET 21 OK 31 97 - 32 - 978/1.8=5, ~8557=5...(10) HA MET 74 - HB3 MET 21 OK 26 96 - 27 - 961/1.8=5, 978/3.0=2...(14) HA HIS 106 - HB3 MET 21 OK 25 99 - 26 - 961/1.8=4, 951=3...(13) HA MET 74 - HG3 MET 21 OK 15 92 - 17 - 961/3.0=4, 978/1.8=3...(6) HA VAL 32 - HB3 MET 21 OK 15 100 - 14 - 994/4.3=2, 961/1.8=2...(7) HA VAL 32 - HG3 MET 21 OK 14 98 - 14 - 994/3.4=3, 978/1.8=2...(7) HA HIS 106 - HG3 MET 21 OK 14 96 - 14 - 961/3.0=3, 978/1.8=2...(6) HA GLU 48 - HB3 MET 21 poor 9 70 - 12 - 961/1.8=2, 978/3.0=1 HA ILE 76 - HB3 MET 21 poor 8 70 - 11 - ~956=2, ~9645=2...(4) HA GLU 48 - HG3 MET 21 lone 7 65 - 10 - 978/1.8=1, 961/3.0=1, ~979=1 HA ILE 76 - HG3 MET 21 lone 5 65 - 8 - ~8538=1, ~9645=1, 961/3.0=1 HA SER 9 - HB3 MET 21 lone 2 65 - 3 - HA SER 9 - HG3 MET 21 lone 1 61 - 2 - Peak 971 from cnoeabs.peaks (2.05, 2.40, 32.03 ppm; 3.23 A): 4 out of 22 assignments used, quality = 1.00: * HB2 MET 21 + HB3 MET 21 OK 100 100 - 100 - 1.8=100 HB2 MET 21 + HG3 MET 21 OK 98 98 - 100 - 3.0=100 HG12 ILE 93 + HB3 MET 21 OK 52 84 - 63 - 3.2/10013=7, 979/3.0=7...(26) HG12 ILE 93 + HG3 MET 21 OK 52 79 - 66 - 979/1.8=9, 995/3.4=8...(26) HB2 MET 74 - HB3 MET 21 OK 18 87 - 21 - 950/3.0=2, ~958=2...(13) HB3 GLU 48 - HB3 MET 21 OK 10 100 - 10 - 979/3.0=1 HB2 MET 74 - HG3 MET 21 OK 10 82 - 13 - 979/1.8=2, 950/3.9=2...(4) HB3 GLU 48 - HG3 MET 21 lone 9 97 - 9 - 979/1.8=2 HB2 GLU 99 - HB3 MET 21 lone 5 97 - 5 - HB2 GLU 98 - HB3 MET 21 lone 4 98 - 4 - HB3 GLU 98 - HB3 MET 21 lone 4 97 - 4 - HB2 GLU 99 - HG3 MET 21 lone 4 93 - 4 - HB3 GLU 99 - HB3 MET 21 lone 4 84 - 5 - HB2 GLU 98 - HG3 MET 21 lone 4 94 - 4 - HB3 GLU 98 - HG3 MET 21 lone 4 93 - 4 - HG3 GLU 28 - HB3 MET 21 lone 3 84 - 4 - HG2 GLU 28 - HB3 MET 21 lone 3 84 - 4 - HB3 GLU 99 - HG3 MET 21 lone 3 79 - 4 - HG3 GLU 28 - HG3 MET 21 lone 3 79 - 3 - HG2 GLU 28 - HG3 MET 21 lone 3 79 - 3 - HB3 GLU 43 - HB3 MET 21 lone 1 81 - 1 - HB3 GLU 43 - HG3 MET 21 lone 1 76 - 1 - Peak 972 from cnoeabs.peaks (2.40, 2.40, 32.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 MET 21 + HB3 MET 21 OK 100 100 - 100 HG3 MET 21 + HG3 MET 21 OK 98 98 - 100 Peak 973 from cnoeabs.peaks (2.94, 2.40, 32.03 ppm; 2.81 A): 2 out of 14 assignments used, quality = 1.00: HG2 MET 21 + HG3 MET 21 OK 98 98 - 100 - 1.8=100 * HG2 MET 21 + HB3 MET 21 OK 89 100 - 89 - 3.0=83, 997/4.3=7...(12) HB2 ASN 51 - HB3 MET 21 OK 31 98 - 32 - 964/1.8=5, 2325/4.0=3...(16) HB2 ASN 51 - HG3 MET 21 OK 27 94 - 29 - 964/3.0=4, ~2329=3...(13) HE3 LYS 90 - HG3 MET 21 OK 19 96 - 20 - 997/3.4=3, ~3999=3...(10) HE3 LYS 90 - HB3 MET 21 OK 17 99 - 17 - 964/1.8=3, 997/4.3=2...(9) HE3 LYS 73 - HB3 MET 21 lone 8 98 - 8 - 964/1.8=1, 952/3.0=1 HE2 LYS 73 - HB3 MET 21 lone 7 90 - 7 - 964/1.8=1 HE3 LYS 73 - HG3 MET 21 lone 6 94 - 6 - 964/3.0=1 HE2 LYS 73 - HG3 MET 21 lone 5 85 - 6 - HB2 ASN 10 - HB3 MET 21 lone 4 87 - 4 - HB2 ASN 10 - HG3 MET 21 lone 3 82 - 4 - HE3 LYS 13 - HB3 MET 21 lone 1 65 - 1 - HE3 LYS 13 - HG3 MET 21 lone 1 61 - 1 - Peak 974 from cnoeabs.peaks (2.40, 2.40, 32.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 MET 21 + HB3 MET 21 OK 100 100 - 100 HG3 MET 21 + HG3 MET 21 OK 98 98 - 100 Reference assignment not found: HG3 MET 21 - HB3 MET 21 Peak 975 from cnoeabs.peaks (2.10, 2.40, 32.03 ppm; 3.39 A): 2 out of 18 assignments used, quality = 1.00: QE MET 21 + HG3 MET 21 OK 98 98 - 100 - 3.4=100 * QE MET 21 + HB3 MET 21 OK 78 100 - 78 - 4.3=50, 995/1.8=26...(8) HB3 PRO 86 - HG3 MET 21 OK 17 94 - 19 - 983/1.8=4, ~8540=3...(6) HB2 GLU 23 - HB3 MET 21 OK 16 87 - 18 - 6351/4.6=4, 966/1.8=4...(6) HB3 PRO 86 - HB3 MET 21 OK 14 98 - 15 - 966/1.8=4, 983/3.0=3...(5) HB2 GLU 23 - HG3 MET 21 OK 11 82 - 14 - 983/1.8=3, 966/3.0=3...(5) HG3 GLU 104 - HB3 MET 21 OK 11 100 - 10 - 966/1.8=3, 983/3.0=2...(5) HG3 GLU 104 - HG3 MET 21 lone 10 98 - 10 - 983/1.8=2, 966/3.0=2, 954/3.9=1 HG3 GLU 37 - HB3 MET 21 lone 8 90 - 9 - 966/1.8=2, 954/3.0=2, 6337/4.0=1 HB VAL 83 - HB3 MET 21 poor 8 81 - 10 - 9774/4.0=3, 966/1.8=2...(4) HB VAL 83 - HG3 MET 21 lone 7 76 - 9 - 9774/5.1=2, 983/1.8=2...(4) HB2 LEU 64 - HB3 MET 21 lone 6 81 - 7 - 966/1.8=2, 983/3.0=1 HB2 LEU 64 - HG3 MET 21 lone 6 76 - 7 - 983/1.8=1, 966/3.0=1 HG3 GLU 37 - HG3 MET 21 lone 5 85 - 6 - 966/3.0=2, 983/1.8=1, 954/3.9=1 HB3 GLU 62 - HB3 MET 21 lone 4 92 - 5 - 966/1.8=1 HB3 GLU 62 - HG3 MET 21 lone 4 87 - 4 - HB3 GLU 35 - HB3 MET 21 lone 1 65 - 2 - HB3 GLU 35 - HG3 MET 21 lone 1 61 - 2 - Peak 976 from cnoeabs.peaks (8.81, 2.40, 32.03 ppm; 5.08 A): 2 out of 6 assignments used, quality = 1.00: * H ALA 22 + HB3 MET 21 OK 100 100 - 100 - 4.6=100 H ALA 22 + HG3 MET 21 OK 87 98 - 89 - 967/3.0=35, 984/1.8=33...(14) H ILE 8 - HB3 MET 21 OK 12 65 - 18 - 967/1.8=4, 984/3.0=3...(5) H SER 59 - HB3 MET 21 OK 11 65 - 16 - 967/1.8=3, 984/3.0=3...(5) H ILE 8 - HG3 MET 21 OK 11 61 - 17 - 984/1.8=4, 967/3.0=3...(5) H SER 59 - HG3 MET 21 OK 10 61 - 16 - 984/1.8=4, 1000/3.4=4...(5) Peak 977 from cnoeabs.peaks (7.68, 2.94, 31.91 ppm; 4.03 A): 3 out of 3 assignments used, quality = 0.95: * H MET 21 + HG2 MET 21 OK 84 100 - 84 - 5.1=49, 960/3.0=19...(14) HD22 ASN 51 + HG2 MET 21 OK 59 100 - 60 - 6849=13, 960/3.0=10...(16) H SER 85 + HG2 MET 21 OK 22 99 - 21 - 993/3.4=6, 960/3.0=4...(6) Peak 978 from cnoeabs.peaks (4.41, 2.94, 31.91 ppm; 4.05 A): 1 out of 9 assignments used, quality = 1.00: * HA MET 21 + HG2 MET 21 OK 100 100 - 100 - 3.9=100 HA ALA 25 - HG2 MET 21 OK 32 100 - 32 - 2.1/8557=7, 994/3.4=5...(11) HA GLN 50 - HG2 MET 21 OK 31 84 - 38 - 2277/1.8=7, 3.6/6835=6...(10) HA MET 74 - HG2 MET 21 OK 16 96 - 17 - 961/3.0=4, 3.0/979=2...(7) HA HIS 106 - HG2 MET 21 OK 15 99 - 15 - 961/3.0=3, 952=3...(6) HA VAL 32 - HG2 MET 21 OK 14 100 - 14 - 994/3.4=3, 961/3.0=2...(7) HA GLU 48 - HG2 MET 21 poor 8 70 - 11 - 3.0/979=2, 961/3.0=1 HA ILE 76 - HG2 MET 21 lone 6 70 - 8 - ~8538=1, ~9645=1, 961/3.0=1 HA SER 9 - HG2 MET 21 lone 2 65 - 3 - Peak 979 from cnoeabs.peaks (2.05, 2.94, 31.91 ppm; 3.25 A): 2 out of 11 assignments used, quality = 1.00: * HB2 MET 21 + HG2 MET 21 OK 100 100 - 100 - 3.0=100 HG12 ILE 93 + HG2 MET 21 OK 54 84 - 64 - 1.8/8558=11, 3.2/8558=8...(24) HB2 MET 74 - HG2 MET 21 OK 11 87 - 13 - 950/3.9=2, 3.0/978=1...(5) HB3 GLU 48 - HG2 MET 21 lone 9 100 - 9 - 3.0/12281=1 HB2 GLU 99 - HG2 MET 21 lone 5 97 - 5 - HB2 GLU 98 - HG2 MET 21 lone 4 98 - 4 - HB3 GLU 98 - HG2 MET 21 lone 4 97 - 4 - HB3 GLU 99 - HG2 MET 21 lone 4 84 - 4 - HG3 GLU 28 - HG2 MET 21 lone 3 84 - 3 - HG2 GLU 28 - HG2 MET 21 lone 3 84 - 3 - HB3 GLU 43 - HG2 MET 21 lone 1 81 - 1 - Peak 980 from cnoeabs.peaks (2.40, 2.94, 31.91 ppm; 2.85 A): 2 out of 4 assignments used, quality = 1.00: HG3 MET 21 + HG2 MET 21 OK 100 100 - 100 - 1.8=100 * HB3 MET 21 + HG2 MET 21 OK 91 100 - 91 - 3.0=86, 4.3/997=7...(12) HG2 GLN 50 - HG2 MET 21 OK 16 100 - 16 - 2298/3.9=2, 963/3.0=2...(7) HG3 MET 1 - HG2 MET 21 lone 3 61 - 6 - 3.3/8030=2 Peak 981 from cnoeabs.peaks (2.94, 2.94, 31.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 21 + HG2 MET 21 OK 100 100 - 100 Peak 982 from cnoeabs.peaks (2.40, 2.94, 31.91 ppm; 2.85 A): 2 out of 4 assignments used, quality = 1.00: * HG3 MET 21 + HG2 MET 21 OK 100 100 - 100 - 1.8=100 HB3 MET 21 + HG2 MET 21 OK 91 100 - 91 - 3.0=86, 4.3/997=7...(12) HG2 GLN 50 - HG2 MET 21 OK 16 100 - 16 - 2298/3.9=2, 963/3.0=2...(7) HG3 MET 1 - HG2 MET 21 lone 4 65 - 6 - 3.3/8030=2 Peak 983 from cnoeabs.peaks (2.10, 2.94, 31.91 ppm; 3.43 A): 1 out of 9 assignments used, quality = 1.00: * QE MET 21 + HG2 MET 21 OK 100 100 - 100 - 3.4=100 HB3 PRO 86 - HG2 MET 21 OK 19 98 - 20 - ~8540=3, 966/3.0=3...(6) HB2 GLU 23 - HG2 MET 21 OK 15 87 - 18 - 4.0/8534=4, 966/3.0=3...(7) HG3 GLU 104 - HG2 MET 21 OK 11 100 - 11 - 966/3.0=2, 3.0/8556=1...(4) HB VAL 83 - HG2 MET 21 poor 8 81 - 11 - 9774/5.1=2, 966/3.0=2, 954/3.9=1 HB2 LEU 64 - HG2 MET 21 lone 7 81 - 8 - 966/3.0=1, 3.1/8558=1 HG3 GLU 37 - HG2 MET 21 lone 6 90 - 7 - 966/3.0=2, 954/3.9=1 HB3 GLU 62 - HG2 MET 21 lone 4 92 - 5 - HB3 GLU 35 - HG2 MET 21 lone 2 65 - 2 - Peak 984 from cnoeabs.peaks (8.81, 2.94, 31.91 ppm; 5.03 A): 3 out of 3 assignments used, quality = 0.91: * H ALA 22 + HG2 MET 21 OK 89 100 - 89 - 967/3.0=35, 6338/5.1=28...(19) H ILE 8 + HG2 MET 21 OK 11 65 - 16 - 967/3.0=3, 1000/3.4=3...(6) H SER 59 + HG2 MET 21 OK 11 65 - 16 - 1000/3.4=3, 967/3.0=3...(6) Peak 985 from cnoeabs.peaks (7.68, 2.40, 31.91 ppm; 3.99 A): 4 out of 6 assignments used, quality = 1.00: H MET 21 + HB3 MET 21 OK 97 98 - 99 - 4.0=96, 960/1.8=24...(9) * H MET 21 + HG3 MET 21 OK 82 100 - 82 - 5.1=48, 960/3.0=19...(11) HD22 ASN 51 + HB3 MET 21 OK 58 98 - 60 - 960/1.8=13, 977/3.0=10...(18) HD22 ASN 51 + HG3 MET 21 OK 55 100 - 55 - 977/1.8=13, 960/3.0=10...(16) H SER 85 - HB3 MET 21 OK 21 96 - 22 - 960/1.8=5, 993/4.3=4...(5) H SER 85 - HG3 MET 21 OK 20 99 - 20 - 993/3.4=6, 977/1.8=5...(4) Peak 986 from cnoeabs.peaks (4.41, 2.40, 31.91 ppm; 4.00 A): 4 out of 18 assignments used, quality = 1.00: * HA MET 21 + HG3 MET 21 OK 100 100 - 100 - 3.9=100 HA MET 21 + HB3 MET 21 OK 98 98 - 100 - 3.0=100 HA GLN 50 + HB3 MET 21 OK 47 79 - 59 - 2277=9, 3.0/2285=8...(20) HA GLN 50 + HG3 MET 21 OK 45 84 - 54 - 2277=8, 3.0/2285=7...(16) HA ALA 25 - HG3 MET 21 OK 31 100 - 32 - 978/1.8=5, ~8557=5...(10) HA ALA 25 - HB3 MET 21 OK 31 97 - 32 - 6346/4.6=5, 961/1.8=5...(11) HA HIS 106 - HB3 MET 21 OK 25 96 - 26 - 961/1.8=4, 951=3...(13) HA MET 74 - HB3 MET 21 OK 25 92 - 27 - 961/1.8=5, 978/3.0=2...(14) HA MET 74 - HG3 MET 21 OK 16 96 - 17 - 961/3.0=4, 978/1.8=3...(6) HA VAL 32 - HB3 MET 21 OK 14 98 - 14 - 994/4.3=2, 961/1.8=2...(7) HA HIS 106 - HG3 MET 21 OK 14 99 - 14 - 961/3.0=3, 978/1.8=2...(6) HA VAL 32 - HG3 MET 21 OK 14 100 - 14 - 994/3.4=3, 978/1.8=2...(7) HA GLU 48 - HB3 MET 21 poor 8 65 - 12 - 961/1.8=2, 978/3.0=1 HA ILE 76 - HB3 MET 21 poor 8 65 - 11 - ~956=2, ~9645=2...(4) HA GLU 48 - HG3 MET 21 lone 7 70 - 10 - 978/1.8=1, 961/3.0=1, ~979=1 HA ILE 76 - HG3 MET 21 lone 5 70 - 8 - ~8538=1, ~9645=1, 961/3.0=1 HA SER 9 - HB3 MET 21 lone 2 61 - 3 - HA SER 9 - HG3 MET 21 lone 1 65 - 2 - Peak 987 from cnoeabs.peaks (2.05, 2.40, 31.91 ppm; 3.23 A): 4 out of 22 assignments used, quality = 1.00: * HB2 MET 21 + HG3 MET 21 OK 100 100 - 100 - 3.0=100 HB2 MET 21 + HB3 MET 21 OK 98 98 - 100 - 1.8=100 HG12 ILE 93 + HG3 MET 21 OK 55 84 - 65 - 979/1.8=9, 995/3.4=8...(26) HG12 ILE 93 + HB3 MET 21 OK 49 79 - 63 - 3.2/10013=7, 979/3.0=7...(26) HB2 MET 74 - HB3 MET 21 OK 17 82 - 21 - 950/3.0=2, ~958=2...(13) HB2 MET 74 - HG3 MET 21 OK 11 87 - 13 - 979/1.8=2, 950/3.9=2...(4) HB3 GLU 48 - HB3 MET 21 OK 10 97 - 10 - 979/3.0=1 HB3 GLU 48 - HG3 MET 21 lone 9 100 - 9 - 979/1.8=2 HB2 GLU 99 - HB3 MET 21 lone 5 93 - 5 - HB2 GLU 99 - HG3 MET 21 lone 4 97 - 4 - HB2 GLU 98 - HB3 MET 21 lone 4 94 - 4 - HB3 GLU 98 - HB3 MET 21 lone 4 93 - 4 - HB2 GLU 98 - HG3 MET 21 lone 4 98 - 4 - HB3 GLU 98 - HG3 MET 21 lone 4 97 - 4 - HB3 GLU 99 - HB3 MET 21 lone 4 79 - 5 - HB3 GLU 99 - HG3 MET 21 lone 4 84 - 4 - HG3 GLU 28 - HB3 MET 21 lone 3 79 - 4 - HG2 GLU 28 - HB3 MET 21 lone 3 79 - 4 - HG3 GLU 28 - HG3 MET 21 lone 3 84 - 3 - HG2 GLU 28 - HG3 MET 21 lone 3 84 - 3 - HB3 GLU 43 - HB3 MET 21 lone 1 76 - 1 - HB3 GLU 43 - HG3 MET 21 lone 1 81 - 1 - Peak 988 from cnoeabs.peaks (2.40, 2.40, 31.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 MET 21 + HG3 MET 21 OK 100 100 - 100 HB3 MET 21 + HB3 MET 21 OK 98 98 - 100 Reference assignment not found: HB3 MET 21 - HG3 MET 21 Peak 989 from cnoeabs.peaks (2.94, 2.40, 31.91 ppm; 2.81 A): 2 out of 14 assignments used, quality = 1.00: * HG2 MET 21 + HG3 MET 21 OK 100 100 - 100 - 1.8=100 HG2 MET 21 + HB3 MET 21 OK 87 98 - 89 - 3.0=83, 997/4.3=7...(12) HB2 ASN 51 - HB3 MET 21 OK 30 94 - 32 - 964/1.8=5, 2325/4.0=3...(17) HB2 ASN 51 - HG3 MET 21 OK 28 98 - 29 - 964/3.0=4, ~2329=3...(14) HE3 LYS 90 - HG3 MET 21 OK 19 99 - 20 - 997/3.4=3, ~3999=3...(10) HE3 LYS 90 - HB3 MET 21 OK 16 96 - 17 - 964/1.8=3, 997/4.3=2...(10) HE3 LYS 73 - HB3 MET 21 lone 8 94 - 8 - 964/1.8=1, 952/3.0=1 HE3 LYS 73 - HG3 MET 21 lone 6 98 - 6 - 964/3.0=1 HE2 LYS 73 - HB3 MET 21 lone 6 85 - 7 - 964/1.8=1 HE2 LYS 73 - HG3 MET 21 lone 6 90 - 6 - HB2 ASN 10 - HB3 MET 21 lone 3 82 - 4 - HB2 ASN 10 - HG3 MET 21 lone 3 87 - 4 - HE3 LYS 13 - HB3 MET 21 lone 1 61 - 1 - HE3 LYS 13 - HG3 MET 21 lone 1 65 - 1 - Peak 990 from cnoeabs.peaks (2.40, 2.40, 31.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 MET 21 + HG3 MET 21 OK 100 100 - 100 HB3 MET 21 + HB3 MET 21 OK 98 98 - 100 Peak 991 from cnoeabs.peaks (2.10, 2.40, 31.91 ppm; 3.39 A): 2 out of 18 assignments used, quality = 1.00: * QE MET 21 + HG3 MET 21 OK 100 100 - 100 - 3.4=100 QE MET 21 + HB3 MET 21 OK 77 98 - 78 - 4.3=50, 995/1.8=26...(8) HB3 PRO 86 - HG3 MET 21 OK 18 98 - 19 - 983/1.8=4, ~8540=3...(6) HB2 GLU 23 - HB3 MET 21 OK 15 82 - 18 - 6351/4.6=4, 966/1.8=4...(6) HB3 PRO 86 - HB3 MET 21 OK 14 94 - 15 - 966/1.8=4, 983/3.0=3...(5) HB2 GLU 23 - HG3 MET 21 OK 12 87 - 14 - 983/1.8=3, 966/3.0=3...(5) HG3 GLU 104 - HB3 MET 21 OK 10 98 - 10 - 966/1.8=3, 983/3.0=2...(5) HG3 GLU 104 - HG3 MET 21 OK 10 100 - 10 - 983/1.8=2, 966/3.0=2, 954/3.9=1 HG3 GLU 37 - HB3 MET 21 lone 8 85 - 9 - 966/1.8=2, 954/3.0=2, 6337/4.0=1 HB VAL 83 - HB3 MET 21 poor 8 76 - 10 - 9774/4.0=3, 966/1.8=2...(4) HB VAL 83 - HG3 MET 21 lone 8 81 - 9 - 9774/5.1=2, 983/1.8=2...(4) HB2 LEU 64 - HG3 MET 21 lone 6 81 - 7 - 983/1.8=1, 966/3.0=1 HB2 LEU 64 - HB3 MET 21 lone 6 76 - 7 - 966/1.8=2, 983/3.0=1 HG3 GLU 37 - HG3 MET 21 lone 5 90 - 6 - 966/3.0=2, 983/1.8=1, 954/3.9=1 HB3 GLU 62 - HB3 MET 21 lone 4 87 - 4 - 966/1.8=1 HB3 GLU 62 - HG3 MET 21 lone 4 92 - 4 - HB3 GLU 35 - HB3 MET 21 lone 1 61 - 2 - HB3 GLU 35 - HG3 MET 21 lone 1 65 - 2 - Peak 992 from cnoeabs.peaks (8.81, 2.40, 31.91 ppm; 5.08 A): 2 out of 6 assignments used, quality = 1.00: H ALA 22 + HB3 MET 21 OK 98 98 - 100 - 4.6=100 * H ALA 22 + HG3 MET 21 OK 88 100 - 89 - 967/3.0=35, 984/1.8=33...(14) H ILE 8 - HG3 MET 21 OK 11 65 - 17 - 984/1.8=4, 967/3.0=3...(5) H ILE 8 - HB3 MET 21 OK 11 61 - 18 - 967/1.8=4, 984/3.0=3...(5) H SER 59 - HG3 MET 21 OK 11 65 - 16 - 984/1.8=4, 1000/3.4=4...(5) H SER 59 - HB3 MET 21 OK 10 61 - 16 - 967/1.8=3, 984/3.0=3...(5) Peak 993 from cnoeabs.peaks (7.68, 2.10, 17.93 ppm; 4.00 A): 3 out of 3 assignments used, quality = 0.89: * H MET 21 + QE MET 21 OK 75 100 - 75 - 6.1=28, 4.0/995=18...(12) HD22 ASN 51 + QE MET 21 OK 39 100 - 40 - 977/3.4=10, 960/4.3=7...(10) H SER 85 + QE MET 21 OK 29 99 - 29 - 9859=7, 977/3.4=4...(10) Peak 994 from cnoeabs.peaks (4.41, 2.10, 17.93 ppm; 3.72 A): 6 out of 9 assignments used, quality = 0.93: * HA MET 21 + QE MET 21 OK 81 100 - 82 - 5.3=35, 3.0/995=22...(17) HA ALA 25 + QE MET 21 OK 28 100 - 29 - 2.1/8551=8, 3.0/8612=4...(10) HA VAL 32 + QE MET 21 OK 19 100 - 19 - 3.2/10156=4, 10144=3...(7) HA GLN 50 + QE MET 21 OK 18 84 - 22 - 2277/3.4=4, 2277/4.3=4...(9) HA HIS 106 + QE MET 21 OK 11 99 - 11 - 954=3, 961/4.3=2...(5) HA MET 74 + QE MET 21 OK 10 96 - 11 - 961/4.3=2, 978/3.4=2, 3.0/995=1 HA GLU 48 - QE MET 21 lone 5 70 - 7 - 3.0/995=1 HA ILE 76 - QE MET 21 lone 4 70 - 6 - 3.0/8538=2 HA SER 9 - QE MET 21 lone 1 65 - 2 - Peak 995 from cnoeabs.peaks (2.05, 2.10, 17.93 ppm; 2.40 A): 2 out of 11 assignments used, quality = 0.56: * HB2 MET 21 + QE MET 21 OK 43 100 - 43 - 4.3=18, 3.0/997=7...(10) HG12 ILE 93 + QE MET 21 OK 22 84 - 26 - 3.2/10319=5, 1.8/8552=4...(10) HB2 MET 74 - QE MET 21 lone 3 87 - 3 - HB3 GLU 48 - QE MET 21 lone 2 100 - 2 - HB2 GLU 99 - QE MET 21 lone 2 97 - 2 - HB2 GLU 98 - QE MET 21 lone 1 98 - 1 - HB3 GLU 98 - QE MET 21 lone 1 97 - 1 - HB3 GLU 99 - QE MET 21 lone 1 84 - 2 - HG3 GLU 28 - QE MET 21 lone 1 84 - 1 - HG2 GLU 28 - QE MET 21 lone 1 84 - 1 - HB3 GLU 43 - QE MET 21 lone 1 81 - 1 - Peak 996 from cnoeabs.peaks (2.40, 2.10, 17.93 ppm; 3.51 A): 2 out of 4 assignments used, quality = 1.00: HG3 MET 21 + QE MET 21 OK 100 100 - 100 - 3.4=100 * HB3 MET 21 + QE MET 21 OK 82 100 - 82 - 4.3=55, 1.8/995=27...(8) HG2 GLN 50 - QE MET 21 OK 16 100 - 16 - 2298/5.3=3, 963/4.3=2...(8) HG3 MET 1 - QE MET 21 lone 3 61 - 5 - Peak 997 from cnoeabs.peaks (2.94, 2.10, 17.93 ppm; 3.21 A): 2 out of 7 assignments used, quality = 0.96: * HG2 MET 21 + QE MET 21 OK 94 100 - 94 - 3.4=87, 3.0/995=18...(15) HE3 LYS 90 + QE MET 21 OK 31 99 - 31 - 3.0/10444=7, 6.2/8543=4...(12) HB2 ASN 51 - QE MET 21 OK 26 98 - 26 - 3.5/993=5, 964/4.3=3...(12) HE3 LYS 73 - QE MET 21 lone 7 98 - 7 - HE2 LYS 73 - QE MET 21 lone 6 90 - 7 - HB2 ASN 10 - QE MET 21 lone 3 87 - 4 - HE3 LYS 13 - QE MET 21 lone 1 65 - 2 - Peak 998 from cnoeabs.peaks (2.40, 2.10, 17.93 ppm; 3.51 A): 2 out of 4 assignments used, quality = 1.00: * HG3 MET 21 + QE MET 21 OK 100 100 - 100 - 3.4=100 HB3 MET 21 + QE MET 21 OK 82 100 - 82 - 4.3=55, 1.8/995=27...(8) HG2 GLN 50 - QE MET 21 OK 16 100 - 16 - 2298/5.3=3, 963/4.3=2...(8) HG3 MET 1 - QE MET 21 lone 3 65 - 5 - Peak 999 from cnoeabs.peaks (2.10, 2.10, 17.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 21 + QE MET 21 OK 100 100 - 100 Peak 1000 from cnoeabs.peaks (8.81, 2.10, 17.93 ppm; 5.46 A): 3 out of 3 assignments used, quality = 0.93: * H ALA 22 + QE MET 21 OK 91 100 - 91 - 967/4.3=31, 984/3.4=29...(24) H SER 59 + QE MET 21 OK 14 65 - 21 - 4.2/10445=4, 984/3.4=4...(8) H ILE 8 + QE MET 21 OK 12 65 - 18 - 984/3.4=4, 967/4.3=3...(6) Peak 1001 from cnoeabs.peaks (8.81, 3.83, 55.43 ppm; 3.56 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 22 + HA ALA 22 OK 100 100 - 100 - 3.0=100 H ILE 8 - HA ALA 22 lone 4 65 - 7 - 1008/2.1=3, 6361/3.6=1 H SER 59 - HA ALA 22 lone 3 65 - 5 - 6361/3.6=2, 1008/2.1=1 Peak 1002 from cnoeabs.peaks (3.83, 3.83, 55.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 22 + HA ALA 22 OK 100 100 - 100 Peak 1003 from cnoeabs.peaks (1.44, 3.83, 55.43 ppm; 2.74 A): 1 out of 8 assignments used, quality = 1.00: * QB ALA 22 + HA ALA 22 OK 100 100 - 100 - 2.1=100 HG LEU 29 - HA ALA 22 OK 40 100 - 40 - ~8580=6, ~8577=5...(14) HG13 ILE 76 - HA ALA 22 OK 11 100 - 11 - 3.0/9648=3, 4.5/9649=2...(4) HG12 ILE 7 - HA ALA 22 lone 7 90 - 8 - 264/3.0=1 HG3 LYS 39 - HA ALA 22 lone 7 98 - 7 - 1.8/1006=2, 6353/3.0=1 HG2 LYS 12 - HA ALA 22 lone 5 92 - 5 - HG2 LYS 13 - HA ALA 22 lone 2 99 - 2 - HG3 ARG 91 - HA ALA 22 lone 2 70 - 3 - Peak 1004 from cnoeabs.peaks (8.28, 3.83, 55.43 ppm; 3.51 A): 1 out of 5 assignments used, quality = 0.98: * H GLU 23 + HA ALA 22 OK 98 100 - 98 - 3.6=95, 6361/3.0=25...(9) H LYS 94 - HA ALA 22 OK 28 87 - 32 - 4.3/10028=9, 6354/3.0=7...(6) H LEU 103 - HA ALA 22 OK 13 90 - 15 - 1011/2.1=3, ~10452=3...(5) H ALA 71 - HA ALA 22 lone 6 73 - 8 - 6354/3.0=2, 1011/2.1=2 H PHE 45 - HA ALA 22 lone 3 73 - 4 - 6354/3.0=1 Peak 1005 from cnoeabs.peaks (7.71, 3.83, 55.43 ppm; 4.05 A): 2 out of 3 assignments used, quality = 0.80: * H ALA 25 + HA ALA 22 OK 77 100 - 77 - 6394=32, 2.9/1154=22...(11) H LEU 64 + HA ALA 22 OK 11 97 - 12 - 6370/3.6=3, 1155/1154=2 H SER 49 - HA ALA 22 lone 3 77 - 4 - 6370/3.6=2 Peak 1006 from cnoeabs.peaks (1.34, 3.83, 55.43 ppm; 3.07 A): 3 out of 10 assignments used, quality = 0.76: * QB ALA 25 + HA ALA 22 OK 50 100 - 50 - 1154=24, 2.9/1005=14...(7) HB3 LEU 27 + HA ALA 22 OK 45 99 - 45 - 1.8/8636=8, 3.1/8641=8...(13) HG2 LYS 94 + HA ALA 22 OK 13 100 - 13 - 4.9/1004=2, 4208/3.6=2...(4) HG2 LYS 39 - HA ALA 22 lone 7 98 - 7 - 1.8/1003=2 QB ALA 89 - HA ALA 22 lone 7 100 - 7 - 9938/1005=1 HB2 LYS 82 - HA ALA 22 lone 4 99 - 4 - HG3 LYS 68 - HA ALA 22 lone 4 92 - 4 - HG LEU 14 - HA ALA 22 lone 3 90 - 4 - HB3 LEU 2 - HA ALA 22 lone 3 98 - 3 - QB ALA 67 - HA ALA 22 lone 2 100 - 2 - Peak 1007 from cnoeabs.peaks (3.81, 1.44, 18.06 ppm; 2.96 A): 3 out of 5 assignments used, quality = 0.82: HA ALA 22 + QB ALA 22 OK 70 70 - 100 - 2.1=100 * HA ARG 19 + QB ALA 22 OK 31 100 - 32 - 786/2.9=8, 787=7...(12) HA LYS 68 + QB ALA 22 OK 15 99 - 15 - 786/2.9=4, 787=3...(5) HA SER 97 - QB ALA 22 lone 7 97 - 7 - 6342/2.9=1 HB3 SER 102 - QB ALA 22 lone 6 100 - 6 - 4465/3.6=2, 6342/2.9=1 Peak 1008 from cnoeabs.peaks (8.81, 1.44, 18.06 ppm; 3.21 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 22 + QB ALA 22 OK 100 100 - 100 - 2.9=100 H ILE 8 - QB ALA 22 OK 10 65 - 15 - 4.7/8586=3, 4.6/8587=3...(6) H SER 59 - QB ALA 22 lone 4 65 - 5 - 6361/3.6=1 Peak 1009 from cnoeabs.peaks (3.83, 1.44, 18.06 ppm; 2.96 A): 1 out of 5 assignments used, quality = 1.00: * HA ALA 22 + QB ALA 22 OK 100 100 - 100 - 2.1=100 HA ARG 19 - QB ALA 22 OK 16 70 - 24 - 6342/2.9=5, 4.0/10456=4...(9) HA SER 97 - QB ALA 22 lone 7 92 - 8 - 6352/2.9=1, 6362/3.6=1 HB3 SER 102 - QB ALA 22 lone 4 73 - 5 - 4.5/1011=1, 6357/3.6=1 HA ALA 71 - QB ALA 22 lone 3 61 - 5 - Peak 1010 from cnoeabs.peaks (1.44, 1.44, 18.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 22 + QB ALA 22 OK 100 100 - 100 Peak 1011 from cnoeabs.peaks (8.28, 1.44, 18.06 ppm; 3.49 A): 1 out of 5 assignments used, quality = 0.96: * H GLU 23 + QB ALA 22 OK 96 100 - 96 - 3.6=91, 6361/2.9=25...(10) H LYS 94 - QB ALA 22 OK 23 87 - 27 - 6354/2.9=7, 1004/2.1=6...(6) H LEU 103 - QB ALA 22 OK 14 90 - 16 - 3.0/10452=4, 1004/2.1=3...(5) H ALA 71 - QB ALA 22 lone 7 73 - 9 - 6354/2.9=2, 1004/2.1=1 H PHE 45 - QB ALA 22 lone 4 73 - 5 - 6354/2.9=1 Peak 1012 from cnoeabs.peaks (8.28, 4.15, 59.00 ppm; 3.32 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 23 + HA GLU 23 OK 100 100 - 100 - 3.0=100 H LYS 94 - HA GLU 23 OK 16 87 - 18 - 1020/3.0=3, 1042/4.2=3...(6) H LEU 103 - HA GLU 23 OK 11 90 - 12 - ~4466=2, 1020/3.0=2...(6) H ALA 71 - HA GLU 23 lone 6 73 - 8 - 4.6/7171=1 H PHE 45 - HA GLU 23 lone 3 73 - 4 - Peak 1013 from cnoeabs.peaks (4.15, 4.15, 59.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 23 + HA GLU 23 OK 100 100 - 100 Peak 1014 from cnoeabs.peaks (2.09, 4.15, 59.00 ppm; 3.09 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLU 23 + HA GLU 23 OK 100 100 - 100 - 3.0=100 HB2 GLU 16 - HA GLU 23 OK 39 90 - 44 - 695=10, 1.8/703=7...(21) HB3 GLU 88 - HA GLU 23 OK 31 94 - 33 - 3.9/1018=5, 3879/3.6=5...(17) HB3 GLU 62 - HA GLU 23 OK 24 100 - 24 - 2.9/1016=4, 2.9/1016=4...(9) HG3 GLU 104 - HA GLU 23 OK 17 90 - 19 - 1.8/1015=3, 4546/3.0=3...(9) QE MET 21 - HA GLU 23 OK 10 87 - 12 - 6365/3.0=3, 8538/3.6=2, ~8534=2 HB3 LEU 38 - HA GLU 23 poor 8 81 - 10 - 1.8/10463=3, 3.0/10463=2 HB3 GLU 35 - HA GLU 23 lone 8 98 - 8 - 1021=2 HB3 PRO 86 - HA GLU 23 lone 3 65 - 4 - 6378/3.6=1 Peak 1015 from cnoeabs.peaks (2.15, 4.15, 59.00 ppm; 3.00 A): 1 out of 9 assignments used, quality = 0.99: * HB3 GLU 23 + HA GLU 23 OK 99 100 - 99 - 3.0=99 HB3 GLU 16 - HA GLU 23 OK 36 87 - 42 - 1.8/695=9, 703=7...(20) HB3 GLU 95 - HA GLU 23 OK 31 99 - 32 - 2.9/1016=4, 1029=4...(12) HG2 GLU 88 - HA GLU 23 OK 22 87 - 26 - 3889/3.0=4, 3886/3.6=4...(10) HB2 GLN 72 - HA GLU 23 OK 19 92 - 21 - 3192=3, 1.8/3201=3...(8) HG2 GLU 104 - HA GLU 23 OK 18 98 - 19 - 4540/3.0=3, 1.8/1014=2...(7) HB2 GLU 75 - HA GLU 23 lone 4 65 - 6 - 4.1/9650=2, 2.9/9619=1 HG2 GLU 75 - HA GLU 23 lone 2 61 - 3 - 4.0/9619=1 HG2 GLU 44 - HA GLU 23 lone 1 61 - 1 - Peak 1016 from cnoeabs.peaks (2.27, 4.15, 59.00 ppm; 3.35 A): 4 out of 5 assignments used, quality = 0.95: * HG2 GLU 23 + HA GLU 23 OK 84 100 - 84 - 4.2=52, 1.8/1043=20...(12) HG2 GLU 95 + HA GLU 23 OK 35 100 - 35 - 1036=6, 1024/3.0=5...(12) HG3 GLU 62 + HA GLU 23 OK 32 97 - 33 - 1024/3.0=5, 6367/3.0=3...(14) HG2 GLU 62 + HA GLU 23 OK 32 97 - 33 - 1024/3.0=5, 6367/3.0=3...(14) HG2 GLU 37 - HA GLU 23 lone 2 87 - 2 - Peak 1017 from cnoeabs.peaks (2.49, 4.15, 59.00 ppm; 3.78 A): 1 out of 8 assignments used, quality = 0.96: * HG3 GLU 23 + HA GLU 23 OK 96 100 - 96 - 4.2=75, 1042/3.0=21...(23) HD2 ARG 91 - HA GLU 23 OK 28 99 - 29 - 2.9/10463=7, 1033/3.0=5...(8) HB2 ASP 87 - HA GLU 23 OK 24 97 - 25 - 4.6/1018=6, 6368/3.0=4...(10) HB3 ASP 87 - HA GLU 23 OK 24 97 - 25 - 4.6/1018=6, 6368/3.0=4...(10) HB2 ASP 36 - HA GLU 23 lone 4 77 - 4 - HB3 ASP 36 - HA GLU 23 lone 3 73 - 4 - HB2 ASP 61 - HA GLU 23 lone 2 61 - 3 - ~9450=1 HG3 GLU 98 - HA GLU 23 lone 1 70 - 1 - Peak 1018 from cnoeabs.peaks (7.57, 4.15, 59.00 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 24 + HA GLU 23 OK 100 100 - 100 - 3.6=100 H GLU 88 + HA GLU 23 OK 55 100 - 56 - 6369/3.0=11, 6377=10...(15) H ILE 76 - HA GLU 23 OK 18 84 - 21 - 6369/3.0=4, 9650=3...(8) Peak 1019 from cnoeabs.peaks (4.05, 2.09, 29.16 ppm; 3.13 A): 4 out of 10 assignments used, quality = 0.76: HA GLU 16 + HB2 GLU 23 OK 49 97 - 51 - 1027/1.8=13, 856=8...(20) * HA LYS 20 + HB2 GLU 23 OK 30 100 - 31 - 856=8, 1027/1.8=8...(6) HA GLU 17 + HB2 GLU 23 OK 23 100 - 23 - 1027/1.8=6, 10471/2.9=3...(8) HB3 SER 59 + HB2 GLU 23 OK 13 77 - 17 - 1027/1.8=4, 1.8/1021=3...(8) HA GLU 16 - HB3 GLU 35 poor 8 67 - 12 - 856=2, 3.6/6250=1...(4) HA GLU 17 - HB3 GLU 35 lone 7 73 - 9 - 2.9/6250=2, 728/1.8=2 HB2 SER 49 - HB2 GLU 23 lone 6 98 - 6 - 1027/1.8=2, 6372/4.6=1 HA LYS 20 - HB3 GLU 35 lone 3 73 - 4 - 856=1 HB2 SER 49 - HB3 GLU 35 lone 1 68 - 1 - HB3 SER 59 - HB3 GLU 35 lone 0 49 - 1 - Peak 1020 from cnoeabs.peaks (8.28, 2.09, 29.16 ppm; 3.38 A): 3 out of 10 assignments used, quality = 0.91: * H GLU 23 + HB2 GLU 23 OK 87 100 - 87 - 4.0=58, 1028/1.8=19...(15) H LYS 94 + HB2 GLU 23 OK 19 87 - 22 - 1042/2.9=4, 1028/1.8=4...(6) H LEU 103 + HB2 GLU 23 OK 10 90 - 11 - 1042/2.9=2, 1028/1.8=2...(5) H LYS 94 - HB3 GLU 35 poor 6 57 - 11 - 7502/3.0=3, 7514/1.8=2...(5) H GLU 23 - HB3 GLU 35 lone 5 73 - 7 - 6365=2 H ALA 71 - HB2 GLU 23 lone 5 73 - 7 - 1028/1.8=1, 1012/3.0=1 H PHE 45 - HB2 GLU 23 lone 3 73 - 4 - H PHE 45 - HB3 GLU 35 lone 2 46 - 4 - H ALA 71 - HB3 GLU 35 lone 2 46 - 4 - H LEU 103 - HB3 GLU 35 lone 1 59 - 2 - Peak 1021 from cnoeabs.peaks (4.15, 2.09, 29.16 ppm; 3.00 A): 1 out of 14 assignments used, quality = 1.00: * HA GLU 23 + HB2 GLU 23 OK 100 100 - 100 - 3.0=99, 1015/1.8=14...(19) HA GLN 72 - HB2 GLU 23 OK 15 96 - 16 - 1029/1.8=3, 1043/2.9=2...(6) HB2 SER 59 - HB2 GLU 23 OK 14 87 - 16 - 1.8/1019=3, 1029/1.8=2...(6) HA GLU 104 - HB2 GLU 23 OK 13 57 - 22 - 3.0/4533=3, 1029/1.8=2...(10) HA MET 1 - HB3 GLU 35 poor 8 59 - 14 - 4/1.8=3, 5/2.9=2...(5) HA LYS 47 - HB2 GLU 23 lone 7 100 - 7 - 1029/1.8=1, 6364/4.0=1 HA LYS 13 - HB2 GLU 23 lone 7 96 - 7 - 493=1, 1029/1.8=1 HA GLU 23 - HB3 GLU 35 lone 5 73 - 7 - 1014=2 HA MET 1 - HB2 GLU 23 lone 3 90 - 3 - HA LYS 47 - HB3 GLU 35 lone 2 72 - 3 - HA LYS 13 - HB3 GLU 35 lone 1 65 - 2 - HA GLN 72 - HB3 GLU 35 lone 1 65 - 1 - HA GLU 104 - HB3 GLU 35 lone 1 35 - 2 - HB2 SER 59 - HB3 GLU 35 lone 0 57 - 1 - Peak 1022 from cnoeabs.peaks (2.09, 2.09, 29.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 23 + HB2 GLU 23 OK 100 100 - 100 HB3 GLU 35 + HB3 GLU 35 OK 68 68 - 100 Peak 1023 from cnoeabs.peaks (2.15, 2.09, 29.16 ppm; 2.40 A): 1 out of 18 assignments used, quality = 1.00: * HB3 GLU 23 + HB2 GLU 23 OK 100 100 - 100 - 1.8=100 HB3 GLU 95 - HB2 GLU 23 OK 29 99 - 29 - 1030=4, 1045/2.9=3...(11) HB3 GLU 16 - HB2 GLU 23 OK 25 87 - 30 - 3.0/1019=5, 706=4...(16) HG2 GLU 88 - HB2 GLU 23 OK 20 87 - 23 - 3889=5, 1.8/3896=3...(10) HG2 GLU 104 - HB2 GLU 23 OK 18 98 - 18 - 4540=4, 3.0/4533=2...(6) HB2 GLN 72 - HB2 GLU 23 lone 9 92 - 10 - 3.0/1021=1, 1015/3.0=1 HB3 GLU 16 - HB3 GLU 35 lone 5 57 - 8 - 706=1 HB3 GLU 23 - HB3 GLU 35 lone 4 73 - 6 - 1030=1 HG2 GLU 88 - HB3 GLU 35 lone 4 57 - 7 - 3889=2, 1.8/3896=1 HB3 GLU 95 - HB3 GLU 35 lone 2 70 - 3 - HB2 GLU 75 - HB2 GLU 23 lone 2 65 - 3 - HG2 GLU 104 - HB3 GLU 35 lone 1 68 - 1 - HG2 GLU 75 - HB2 GLU 23 lone 1 61 - 1 - HG2 GLU 44 - HB3 GLU 35 lone 0 37 - 1 - HB2 GLU 75 - HB3 GLU 35 lone 0 40 - 1 - HB2 GLN 72 - HB3 GLU 35 lone 0 61 - 1 - HG2 GLU 44 - HB2 GLU 23 lone 0 61 - 0 - HG2 GLU 75 - HB3 GLU 35 lone 0 37 - 0 - Peak 1024 from cnoeabs.peaks (2.27, 2.09, 29.16 ppm; 2.72 A): 3 out of 10 assignments used, quality = 0.95: * HG2 GLU 23 + HB2 GLU 23 OK 90 100 - 90 - 2.9=84, 1032/1.8=10...(12) HG2 GLU 95 + HB2 GLU 23 OK 33 100 - 33 - 1037=4, 1032/1.8=4...(12) HG2 GLU 62 + HB2 GLU 23 OK 30 97 - 31 - 2758=4, 1032/1.8=3...(11) HG3 GLU 62 - HB2 GLU 23 OK 30 97 - 31 - 2758=4, 1032/1.8=3...(11) HG3 GLU 62 - HB3 GLU 35 poor 7 67 - 11 - 2.9/2737=2, 2751=1 HG2 GLU 62 - HB3 GLU 35 poor 7 67 - 11 - 2.9/2737=2, 2751=1 HG2 GLU 23 - HB3 GLU 35 lone 4 73 - 6 - HG2 GLU 95 - HB3 GLU 35 lone 3 73 - 4 - HG2 GLU 37 - HB2 GLU 23 lone 2 87 - 2 - HG2 GLU 37 - HB3 GLU 35 lone 1 57 - 1 - Peak 1025 from cnoeabs.peaks (2.49, 2.09, 29.16 ppm; 3.37 A): 1 out of 16 assignments used, quality = 1.00: * HG3 GLU 23 + HB2 GLU 23 OK 100 100 - 100 - 2.9=100 HD2 ARG 91 - HB2 GLU 23 OK 31 99 - 32 - 1033/1.8=5, 1017/3.0=3...(15) HB3 ASP 87 - HB2 GLU 23 OK 21 97 - 22 - 4.6/1026=5, 1033/1.8=3...(8) HB2 ASP 87 - HB2 GLU 23 OK 21 97 - 22 - 4.6/1026=5, 1033/1.8=3...(8) HD2 ARG 91 - HB3 GLU 35 OK 12 71 - 17 - 4063/3.0=2, ~4019=2...(7) HB2 ASP 36 - HB3 GLU 35 poor 9 49 - 19 - 3.6/6559=8, ~10536=5...(5) HB3 ASP 36 - HB3 GLU 35 poor 9 46 - 19 - 3.6/6559=8, ~10536=5...(5) HG3 GLU 23 - HB3 GLU 35 lone 7 73 - 9 - 1044=2 HB2 ASP 61 - HB2 GLU 23 lone 4 61 - 6 - 4.4/7007=2, 1.8/9450=1 HB2 ASP 36 - HB2 GLU 23 lone 4 77 - 4 - HB3 ASP 36 - HB2 GLU 23 lone 3 73 - 4 - HB3 ASP 87 - HB3 GLU 35 lone 3 67 - 4 - 4.6/1026=1 HB2 ASP 87 - HB3 GLU 35 lone 3 67 - 4 - 4.6/1026=1 HG3 GLU 98 - HB2 GLU 23 lone 1 70 - 2 - HB2 ASP 61 - HB3 GLU 35 lone 1 37 - 3 - 4.4/7007=1 HG3 GLU 98 - HB3 GLU 35 lone 0 43 - 1 - Peak 1026 from cnoeabs.peaks (7.57, 2.09, 29.16 ppm; 3.74 A): 4 out of 6 assignments used, quality = 0.94: * H LYS 24 + HB2 GLU 23 OK 79 100 - 79 - 4.6=52, 3.6/1021=17...(11) H GLU 88 + HB2 GLU 23 OK 60 100 - 61 - 1034/1.8=12, 1018/3.0=9...(15) H ILE 76 + HB2 GLU 23 OK 14 84 - 16 - 1018/3.0=3, 1034/1.8=3...(5) H GLU 88 + HB3 GLU 35 OK 13 72 - 18 - 8772/4.7=3, 3.0/3865=2...(10) H LYS 24 - HB3 GLU 35 lone 6 73 - 7 - H ILE 76 - HB3 GLU 35 lone 5 54 - 9 - 8772/4.7=5 Peak 1027 from cnoeabs.peaks (4.05, 2.15, 29.16 ppm; 3.13 A): 4 out of 10 assignments used, quality = 0.74: HA GLU 16 + HB3 GLU 23 OK 48 97 - 50 - 1019/1.8=12, 857=10...(20) * HA LYS 20 + HB3 GLU 23 OK 28 100 - 28 - 857=9, 1019/1.8=7...(6) HA GLU 17 + HB3 GLU 23 OK 21 100 - 22 - 1019/1.8=6, 10471/2.9=3...(8) HB3 SER 59 + HB3 GLU 23 OK 13 77 - 17 - 1019/1.8=3, 1.8/1029=3...(8) HA GLU 16 - HB3 GLU 95 poor 6 52 - 12 - 857=2, 3.0/699=1 HB2 SER 49 - HB3 GLU 23 lone 5 98 - 5 - 1019/1.8=1, 6372/4.6=1 HA LYS 20 - HB3 GLU 95 lone 2 57 - 3 - HA GLU 17 - HB3 GLU 95 lone 2 57 - 3 - HB3 SER 59 - HB3 GLU 95 lone 1 37 - 3 - HB2 SER 49 - HB3 GLU 95 lone 1 53 - 1 - Peak 1028 from cnoeabs.peaks (8.28, 2.15, 29.16 ppm; 3.35 A): 4 out of 10 assignments used, quality = 0.92: * H GLU 23 + HB3 GLU 23 OK 86 100 - 86 - 4.0=57, 1020/1.8=22...(14) H LYS 94 + HB3 GLU 23 OK 17 87 - 20 - 1020/1.8=5, 1042/2.9=4...(6) H GLU 23 + HB3 GLU 95 OK 15 57 - 26 - 6366=6, 3.0/1015=4...(9) H LYS 94 + HB3 GLU 95 OK 14 43 - 32 - 7528/4.0=9, 7548/4.6=7...(8) H LEU 103 - HB3 GLU 23 poor 10 90 - 11 - 1020/1.8=3, 1042/2.9=2...(5) H ALA 71 - HB3 GLU 23 lone 5 73 - 7 - 1020/1.8=1, 1012/3.0=1 H ALA 71 - HB3 GLU 95 poor 4 35 - 13 - 7528/4.0=4, 7158/3.0=2...(4) H PHE 45 - HB3 GLU 23 lone 3 73 - 4 - H LEU 103 - HB3 GLU 95 lone 2 45 - 5 - 7656/4.6=2, 4.6/7553=1 H PHE 45 - HB3 GLU 95 lone 2 35 - 5 - 7528/4.0=2, 7548/4.6=1 Peak 1029 from cnoeabs.peaks (4.15, 2.15, 29.16 ppm; 3.21 A): 1 out of 14 assignments used, quality = 1.00: * HA GLU 23 + HB3 GLU 23 OK 100 100 - 100 - 3.0=100 HA GLU 23 - HB3 GLU 95 OK 21 57 - 37 - 1015=7, 1016/2.9=5...(15) HA GLN 72 - HB3 GLU 23 OK 21 96 - 22 - 1021/1.8=3, 3184=3...(7) HB2 SER 59 - HB3 GLU 23 OK 17 87 - 19 - 1.8/1027=4, 1021/1.8=3...(9) HA GLN 72 - HB3 GLU 95 OK 15 51 - 30 - 3184=4, 3187/2.9=3...(14) HA GLU 104 - HB3 GLU 23 OK 15 57 - 26 - 3.0/4532=4, 1021/1.8=3...(11) HA LYS 47 - HB3 GLU 23 lone 8 100 - 8 - 1021/1.8=2, 6364/4.0=1...(4) HA LYS 13 - HB3 GLU 23 lone 8 96 - 8 - 493/1.8=1, 494=1 HA GLU 104 - HB3 GLU 95 poor 5 26 - 18 - 3.0/7553=2, ~4291=2...(10) HA MET 1 - HB3 GLU 23 lone 4 90 - 4 - HB2 SER 59 - HB3 GLU 95 lone 3 43 - 7 - ~4286=2, ~4308=1 HA MET 1 - HB3 GLU 95 lone 1 45 - 3 - HA LYS 13 - HB3 GLU 95 lone 1 51 - 2 - HA LYS 47 - HB3 GLU 95 lone 1 56 - 2 - Peak 1030 from cnoeabs.peaks (2.09, 2.15, 29.16 ppm; 2.40 A): 1 out of 18 assignments used, quality = 1.00: * HB2 GLU 23 + HB3 GLU 23 OK 100 100 - 100 - 1.8=100 HB2 GLU 16 - HB3 GLU 23 OK 27 90 - 31 - 3.0/1027=5, 699=5...(14) HB3 GLU 88 - HB3 GLU 23 OK 25 94 - 27 - 3883=4, 3.9/1034=3...(15) HB2 GLU 23 - HB3 GLU 95 OK 18 57 - 32 - 1023=6, 2.9/1045=3...(12) HB3 GLU 62 - HB3 GLU 23 OK 17 100 - 17 - ~2737=2, 1044/2.9=2...(6) HG3 GLU 104 - HB3 GLU 23 OK 16 90 - 18 - 4546=4, 3.0/4532=2...(8) HB3 GLU 35 - HB3 GLU 23 lone 5 98 - 5 - 1023=1 HB3 LEU 38 - HB3 GLU 23 lone 4 81 - 5 - QE MET 21 - HB3 GLU 23 lone 4 87 - 5 - 6365/4.0=1, 8538/4.6=1 HB2 GLU 16 - HB3 GLU 95 lone 4 45 - 9 - 699=2 HB3 GLU 62 - HB3 GLU 95 lone 4 57 - 6 - HG3 GLU 104 - HB3 GLU 95 lone 3 45 - 6 - 4546=1 HB3 GLU 35 - HB3 GLU 95 lone 1 53 - 3 - HB3 PRO 86 - HB3 GLU 23 lone 1 65 - 2 - QE MET 21 - HB3 GLU 95 lone 1 43 - 2 - 8535/4.0=2 HB3 GLU 88 - HB3 GLU 95 lone 1 49 - 2 - HB3 PRO 86 - HB3 GLU 95 lone 1 30 - 2 - HB3 LEU 38 - HB3 GLU 95 lone 0 39 - 1 - Peak 1031 from cnoeabs.peaks (2.15, 2.15, 29.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 23 + HB3 GLU 23 OK 100 100 - 100 HB3 GLU 95 + HB3 GLU 95 OK 54 54 - 100 Peak 1032 from cnoeabs.peaks (2.27, 2.15, 29.16 ppm; 2.80 A): 2 out of 10 assignments used, quality = 0.98: * HG2 GLU 23 + HB3 GLU 23 OK 95 100 - 95 - 2.9=91, 1024/1.8=15...(13) HG2 GLU 95 + HB3 GLU 95 OK 54 57 - 94 - 2.9=89, 4302/1.8=16...(12) HG2 GLU 95 - HB3 GLU 23 OK 39 100 - 39 - 1.8/4310=6, 1024/1.8=5...(14) HG3 GLU 62 - HB3 GLU 23 OK 30 97 - 31 - 1024/1.8=5, 1016/3.0=3...(13) HG2 GLU 62 - HB3 GLU 23 OK 30 97 - 31 - 1024/1.8=5, 1016/3.0=3...(13) HG2 GLU 23 - HB3 GLU 95 OK 22 57 - 38 - 4289/1.8=6, 1.8/1045=5...(15) HG3 GLU 62 - HB3 GLU 95 OK 11 52 - 22 - 4289/1.8=4, 4278/3.0=3...(9) HG2 GLU 62 - HB3 GLU 95 OK 11 52 - 22 - 4289/1.8=4, 4278/3.0=3...(9) HG2 GLU 37 - HB3 GLU 23 lone 2 87 - 2 - HG2 GLU 37 - HB3 GLU 95 lone 1 43 - 2 - Peak 1033 from cnoeabs.peaks (2.49, 2.15, 29.16 ppm; 3.50 A): 1 out of 16 assignments used, quality = 1.00: * HG3 GLU 23 + HB3 GLU 23 OK 100 100 - 100 - 2.9=100 HD2 ARG 91 - HB3 GLU 23 OK 34 99 - 34 - 1025/1.8=5, 3.5/10461=5...(14) HG3 GLU 23 - HB3 GLU 95 OK 31 57 - 54 - 1045=9, 1046/2.9=6...(23) HB2 ASP 87 - HB3 GLU 23 OK 22 97 - 23 - 4.6/1034=5, 1025/1.8=3...(8) HB3 ASP 87 - HB3 GLU 23 OK 22 97 - 23 - 4.6/1034=5, 1025/1.8=3...(8) HG3 GLU 98 - HB3 GLU 95 poor 6 33 - 17 - ~4368=3, ~4376=3...(6) HB2 ASP 36 - HB3 GLU 23 lone 3 77 - 4 - HB3 ASP 36 - HB3 GLU 23 lone 3 73 - 4 - HB2 ASP 61 - HB3 GLU 23 lone 2 61 - 3 - ~9450=1 HG3 GLU 98 - HB3 GLU 23 lone 1 70 - 2 - HD2 ARG 91 - HB3 GLU 95 lone 1 55 - 2 - HB3 ASP 87 - HB3 GLU 95 lone 1 52 - 2 - HB2 ASP 87 - HB3 GLU 95 lone 1 52 - 2 - HB2 ASP 36 - HB3 GLU 95 lone 1 37 - 1 - HB3 ASP 36 - HB3 GLU 95 lone 0 35 - 1 - HB2 ASP 61 - HB3 GLU 95 lone 0 28 - 1 - Peak 1034 from cnoeabs.peaks (7.57, 2.15, 29.16 ppm; 3.93 A): 3 out of 6 assignments used, quality = 0.94: * H LYS 24 + HB3 GLU 23 OK 81 100 - 81 - 4.6=61, 1026/1.8=18...(8) H GLU 88 + HB3 GLU 23 OK 62 100 - 62 - 1026/1.8=14, 1018/3.0=10...(15) H ILE 76 + HB3 GLU 23 OK 14 84 - 17 - 1018/3.0=3, 1026/1.8=3...(5) H LYS 24 - HB3 GLU 95 poor 10 57 - 17 - 3.6/1015=4, 4.6/1023=3...(5) H GLU 88 - HB3 GLU 95 lone 5 57 - 9 - 6380/2.9=1 H ILE 76 - HB3 GLU 95 lone 1 41 - 3 - Peak 1035 from cnoeabs.peaks (8.28, 2.27, 36.23 ppm; 3.96 A): 2 out of 20 assignments used, quality = 0.92: * H GLU 23 + HG2 GLU 23 OK 88 100 - 88 - 5.0=49, 1042/1.8=28...(11) H GLU 23 + HG2 GLU 95 OK 30 87 - 35 - 6367=9, 3.0/1016=7...(11) H LYS 94 - HG2 GLU 23 OK 21 87 - 24 - 1042/1.8=7, 1020/2.9=5...(5) H LYS 94 - HG2 GLU 95 OK 21 69 - 30 - 7528/4.8=10, 10035/1.8=6...(7) H GLU 23 - HG3 GLU 62 OK 14 40 - 35 - 6367=8, 3.0/1016=6...(11) H GLU 23 - HG2 GLU 62 OK 14 40 - 35 - 6367=8, 3.0/1016=6...(11) H LEU 103 - HG2 GLU 23 OK 12 90 - 13 - 1042/1.8=4, 1020/2.9=3...(5) H ALA 71 - HG2 GLU 95 poor 8 57 - 14 - 7528/4.8=4, 7158/4.1=2...(5) H ALA 71 - HG2 GLU 23 lone 6 73 - 8 - 1042/1.8=2, 1020/2.9=1...(4) H PHE 45 - HG2 GLU 23 lone 4 73 - 5 - 1042/1.8=1 H LEU 103 - HG2 GLU 95 lone 3 72 - 5 - 4.6/7554=2 H LYS 94 - HG2 GLU 62 poor 3 30 - 11 - 4.6/7541=3, 7514/2.9=2, ~4173=2 H LYS 94 - HG3 GLU 62 poor 3 30 - 11 - 4.6/7541=3, 7514/2.9=2, ~4173=2 H PHE 45 - HG2 GLU 95 lone 3 57 - 5 - 7528/4.8=2 H LEU 103 - HG3 GLU 62 lone 1 31 - 3 - 4.6/7554=2 H LEU 103 - HG2 GLU 62 lone 1 31 - 3 - 4.6/7554=2 H ALA 71 - HG2 GLU 62 lone 1 24 - 2 - H ALA 71 - HG3 GLU 62 lone 1 24 - 2 - H PHE 45 - HG2 GLU 62 lone 0 24 - 2 - H PHE 45 - HG3 GLU 62 lone 0 24 - 2 - Peak 1036 from cnoeabs.peaks (4.15, 2.27, 36.23 ppm; 3.22 A): 7 out of 28 assignments used, quality = 0.94: * HA GLU 23 + HG2 GLU 23 OK 80 100 - 80 - 4.2=46, 1043/1.8=19...(12) HA GLU 23 + HG2 GLU 95 OK 29 87 - 34 - 1016=8, 3.0/1024=5...(12) HA GLN 72 + HG2 GLU 95 OK 17 79 - 21 - 3187/1.8=4, ~3196=3...(8) HB2 SER 59 + HG2 GLU 23 OK 14 87 - 16 - 1043/1.8=3, 1.8/10470=3...(7) HA GLU 23 + HG2 GLU 62 OK 14 40 - 36 - 1016=8, 1016/1.8=6...(14) HA GLU 23 + HG3 GLU 62 OK 14 40 - 36 - 1016=8, 1016/1.8=6...(14) HA GLN 72 + HG2 GLU 23 OK 12 96 - 12 - 1043/1.8=3, 1029/2.9=2...(4) HA GLU 104 - HG2 GLU 23 poor 10 57 - 18 - 1043/1.8=3, 1021/2.9=2...(6) HA GLU 104 - HG2 GLU 95 poor 6 43 - 13 - ~4313=2, 3.0/7554=2...(6) HB2 SER 59 - HG2 GLU 95 lone 6 69 - 8 - ~4308=2, 4.6/9412=1...(4) HA LYS 47 - HG2 GLU 23 lone 5 100 - 5 - 1043/1.8=1, 1021/2.9=1 HA LYS 13 - HG2 GLU 23 lone 5 96 - 5 - 1043/1.8=1, 493/2.9=1 HA MET 1 - HG2 GLU 23 lone 2 90 - 3 - HA GLU 104 - HG3 GLU 62 lone 2 17 - 9 - 3.0/7554=1, 4519/2.9=1, ~4533=1 HA GLU 104 - HG2 GLU 62 lone 2 17 - 9 - 3.0/7554=1, 4519/2.9=1, ~4533=1 HA MET 1 - HG2 GLU 95 lone 1 72 - 2 - HA LYS 13 - HG2 GLU 95 lone 1 79 - 1 - HA LYS 47 - HG2 GLU 95 lone 1 85 - 1 - HA GLN 72 - HG3 GLU 62 lone 1 35 - 2 - HA GLN 72 - HG2 GLU 62 lone 1 35 - 2 - HA MET 1 - HG3 GLU 62 lone 0 31 - 1 - HA MET 1 - HG2 GLU 62 lone 0 31 - 1 - HB2 SER 59 - HG2 GLU 62 lone 0 30 - 1 - HB2 SER 59 - HG3 GLU 62 lone 0 30 - 1 - HA LYS 47 - HG2 GLU 62 lone 0 39 - 1 - HA LYS 47 - HG3 GLU 62 lone 0 39 - 1 - HA LYS 13 - HG2 GLU 62 lone 0 35 - 1 - HA LYS 13 - HG3 GLU 62 lone 0 35 - 1 - Peak 1037 from cnoeabs.peaks (2.09, 2.27, 36.23 ppm; 2.56 A): 4 out of 36 assignments used, quality = 0.93: * HB2 GLU 23 + HG2 GLU 23 OK 80 100 - 80 - 2.9=70, 1.8/1032=9...(12) HB3 GLU 62 + HG3 GLU 62 OK 29 39 - 75 - 2.9=67, 3.0/2728=6...(8) HB3 GLU 62 + HG2 GLU 62 OK 29 39 - 75 - 2.9=67, 3.0/2728=6...(8) HB2 GLU 23 + HG2 GLU 95 OK 26 87 - 31 - 1024=7, 1.8/1032=4...(12) HB2 GLU 16 - HG2 GLU 23 OK 21 90 - 24 - 1044/1.8=3, 699/2.9=3...(10) HB3 GLU 88 - HG2 GLU 23 OK 18 94 - 20 - 3883/2.9=3, 1044/1.8=3...(8) HB3 GLU 62 - HG2 GLU 23 OK 16 100 - 16 - 1044/1.8=3, 2745=2...(6) HB2 GLU 23 - HG2 GLU 62 OK 12 40 - 30 - 1024=6, 1024/1.8=4...(10) HB2 GLU 23 - HG3 GLU 62 OK 12 40 - 30 - 1024=6, 1024/1.8=4...(10) HG3 GLU 104 - HG2 GLU 23 OK 11 90 - 12 - 4546/2.9=2, 1044/1.8=2...(4) HB3 GLU 62 - HG2 GLU 95 lone 6 86 - 7 - 2745=1 HB3 GLU 35 - HG2 GLU 23 lone 5 98 - 5 - HB2 GLU 16 - HG2 GLU 95 lone 5 72 - 7 - HB3 LEU 38 - HG2 GLU 23 lone 4 81 - 5 - HB3 GLU 35 - HG3 GLU 62 lone 3 37 - 9 - 2737/2.9=1, 1024=1, 1024/1.8=1 HB3 GLU 35 - HG2 GLU 62 lone 3 37 - 9 - 2737/2.9=1, 1024=1, 1024/1.8=1 QE MET 21 - HG2 GLU 23 lone 3 87 - 4 - HG3 GLU 104 - HG2 GLU 95 lone 3 72 - 4 - HB3 GLU 35 - HG2 GLU 95 lone 3 82 - 3 - HG3 GLU 104 - HG2 GLU 62 lone 2 31 - 7 - 2737/2.9=2, 4543/4.0=2 HG3 GLU 104 - HG3 GLU 62 lone 2 31 - 7 - 2737/2.9=2, 4543/4.0=2 QE MET 21 - HG2 GLU 95 lone 2 69 - 2 - 8535/4.8=2 HB3 GLU 88 - HG2 GLU 95 lone 2 77 - 2 - HB3 PRO 86 - HG2 GLU 23 lone 1 65 - 2 - HB3 GLU 88 - HG2 GLU 62 lone 1 34 - 3 - HB3 GLU 88 - HG3 GLU 62 lone 1 34 - 3 - HB2 GLU 16 - HG2 GLU 62 lone 1 31 - 3 - HB2 GLU 16 - HG3 GLU 62 lone 1 31 - 3 - HB3 PRO 86 - HG2 GLU 95 lone 1 50 - 2 - HB3 LEU 38 - HG3 GLU 62 lone 1 27 - 3 - 3.8/6583=1 HB3 LEU 38 - HG2 GLU 62 lone 1 27 - 3 - 3.8/6583=1 HB3 LEU 38 - HG2 GLU 95 lone 1 63 - 1 - QE MET 21 - HG3 GLU 62 lone 1 30 - 2 - QE MET 21 - HG2 GLU 62 lone 1 30 - 2 - HB3 PRO 86 - HG2 GLU 62 lone 0 20 - 1 - HB3 PRO 86 - HG3 GLU 62 lone 0 20 - 1 - Peak 1038 from cnoeabs.peaks (2.15, 2.27, 36.23 ppm; 2.58 A): 2 out of 36 assignments used, quality = 0.94: * HB3 GLU 23 + HG2 GLU 23 OK 82 100 - 82 - 2.9=71, 1.8/1024=13...(12) HB3 GLU 95 + HG2 GLU 95 OK 68 84 - 81 - 2.9=69, 1.8/4302=10...(11) HB3 GLU 95 - HG2 GLU 23 OK 32 99 - 33 - 1.8/4289=5, 4297=5...(11) HB3 GLU 23 - HG2 GLU 95 OK 29 87 - 33 - 1032=5, 4310/1.8=5...(13) HB3 GLU 16 - HG2 GLU 23 OK 22 87 - 26 - 1045/1.8=3, ~10471=3...(11) HB2 GLN 72 - HG2 GLU 95 OK 14 74 - 18 - 4310/1.8=4, ~3205=2...(7) HG2 GLU 88 - HG2 GLU 23 OK 13 87 - 16 - 3889/2.9=3, 1045/1.8=2...(6) HG2 GLU 104 - HG2 GLU 23 OK 13 98 - 13 - 4540/2.9=2, 1045/1.8=2...(4) HB3 GLU 23 - HG2 GLU 62 OK 11 40 - 29 - 1.8/1024=4, 1032=4...(12) HB3 GLU 23 - HG3 GLU 62 OK 11 40 - 29 - 1.8/1024=4, 1032=4...(12) HB2 GLN 72 - HG2 GLU 23 lone 7 92 - 8 - 1045/1.8=1 HB3 GLU 95 - HG3 GLU 62 poor 8 38 - 20 - 1.8/4289=3, 4297=3...(9) HB3 GLU 95 - HG2 GLU 62 poor 8 38 - 20 - 1.8/4289=3, 4297=3...(9) HB3 GLU 16 - HG2 GLU 95 lone 6 69 - 8 - 4310/1.8=1, 4288/2.9=1 HG2 GLU 104 - HG2 GLU 95 lone 4 82 - 5 - HG2 GLU 104 - HG2 GLU 62 lone 3 37 - 7 - 4536/4.0=2, 4540/2.9=2 HG2 GLU 104 - HG3 GLU 62 lone 3 37 - 7 - 4536/4.0=2, 4540/2.9=2 HB2 GLU 75 - HG2 GLU 23 lone 1 65 - 2 - HG2 GLU 88 - HG2 GLU 95 lone 1 69 - 2 - HB3 GLU 16 - HG2 GLU 62 lone 1 30 - 3 - HB3 GLU 16 - HG3 GLU 62 lone 1 30 - 3 - HG2 GLU 75 - HG2 GLU 95 lone 1 47 - 2 - HB2 GLU 75 - HG2 GLU 95 lone 1 50 - 1 - HG2 GLU 75 - HG2 GLU 23 lone 1 61 - 1 - HG2 GLU 88 - HG3 GLU 62 lone 1 30 - 2 - HG2 GLU 88 - HG2 GLU 62 lone 1 30 - 2 - HB2 GLN 72 - HG3 GLU 62 lone 0 32 - 1 - HB2 GLN 72 - HG2 GLU 62 lone 0 32 - 1 - HG2 GLU 44 - HG2 GLU 23 lone 0 61 - 0 - HG2 GLU 44 - HG2 GLU 95 lone 0 47 - 0 - HG2 GLU 44 - HG3 GLU 62 lone 0 19 - 0 - HG2 GLU 44 - HG2 GLU 62 lone 0 19 - 0 - HB2 GLU 75 - HG3 GLU 62 lone 0 20 - 0 - HB2 GLU 75 - HG2 GLU 62 lone 0 20 - 0 - HG2 GLU 75 - HG3 GLU 62 lone 0 19 - 0 - HG2 GLU 75 - HG2 GLU 62 lone 0 19 - 0 - Peak 1039 from cnoeabs.peaks (2.27, 2.27, 36.23 ppm; diagonal): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 23 + HG2 GLU 23 OK 100 100 - 100 HG2 GLU 95 + HG2 GLU 95 OK 86 86 - 100 HG3 GLU 62 - HG3 GLU 62 OK 36 36 - 100 HG2 GLU 62 - HG2 GLU 62 OK 36 36 - 100 Peak 1040 from cnoeabs.peaks (2.49, 2.27, 36.23 ppm; 2.40 A): 1 out of 32 assignments used, quality = 1.00: * HG3 GLU 23 + HG2 GLU 23 OK 100 100 - 100 - 1.8=100 HG3 GLU 23 - HG2 GLU 95 OK 23 87 - 27 - 1046=8, 1045/2.9=3...(9) HD2 ARG 91 - HG2 GLU 23 OK 13 99 - 13 - 1033/2.9=2, 1025/2.9=2...(6) HG3 GLU 23 - HG3 GLU 62 poor 9 40 - 23 - 1046=6, 1046/1.8=3...(6) HG3 GLU 23 - HG2 GLU 62 poor 9 40 - 23 - 1046=6, 1046/1.8=3...(6) HB3 ASP 87 - HG2 GLU 23 lone 7 97 - 7 - 4.6/1041=1, 1025/2.9=1 HB2 ASP 87 - HG2 GLU 23 lone 7 97 - 7 - 4.6/1041=1, 1025/2.9=1 HG3 GLU 98 - HG2 GLU 95 lone 1 54 - 3 - HB2 ASP 36 - HG2 GLU 23 lone 1 77 - 2 - HB3 ASP 36 - HG2 GLU 23 lone 1 73 - 1 - HB2 ASP 61 - HG2 GLU 23 lone 1 61 - 2 - HB2 ASP 61 - HG2 GLU 62 lone 1 19 - 5 - 4.4/7008=3, ~9450=2 HB2 ASP 61 - HG3 GLU 62 lone 1 19 - 5 - 4.4/7008=3, ~9450=2 HD2 ARG 91 - HG2 GLU 95 lone 1 85 - 1 - HB3 ASP 87 - HG2 GLU 95 lone 1 81 - 1 - HB2 ASP 87 - HG2 GLU 95 lone 1 81 - 1 - HB2 ASP 36 - HG3 GLU 62 lone 1 25 - 3 - 4.0/6574=1 HB2 ASP 36 - HG2 GLU 62 lone 1 25 - 3 - 4.0/6574=1 HG3 GLU 98 - HG2 GLU 23 lone 1 70 - 1 - HB3 ASP 36 - HG2 GLU 62 lone 1 24 - 2 - 4.0/6574=1 HB3 ASP 36 - HG3 GLU 62 lone 1 24 - 2 - 4.0/6574=1 HB2 ASP 36 - HG2 GLU 95 lone 0 60 - 1 - HB2 ASP 61 - HG2 GLU 95 lone 0 47 - 1 - HB3 ASP 36 - HG2 GLU 95 lone 0 57 - 1 - HB2 ASP 87 - HG2 GLU 62 lone 0 36 - 1 - HB3 ASP 87 - HG3 GLU 62 lone 0 36 - 1 - HB3 ASP 87 - HG2 GLU 62 lone 0 36 - 1 - HB2 ASP 87 - HG3 GLU 62 lone 0 36 - 1 - HD2 ARG 91 - HG2 GLU 62 lone 0 38 - 1 - HD2 ARG 91 - HG3 GLU 62 lone 0 38 - 1 - HG3 GLU 98 - HG3 GLU 62 lone 0 22 - 0 - HG3 GLU 98 - HG2 GLU 62 lone 0 22 - 0 - Peak 1041 from cnoeabs.peaks (7.57, 2.27, 36.23 ppm; 4.87 A): 3 out of 12 assignments used, quality = 0.93: * H LYS 24 + HG2 GLU 23 OK 70 100 - 70 - 1034/2.9=20, 1026/2.9=19...(6) H GLU 88 + HG2 GLU 23 OK 68 100 - 69 - 1048/1.8=17, 1034/2.9=15...(13) H LYS 24 + HG2 GLU 95 OK 26 87 - 30 - 3.6/1016=8, 4.6/1024=6...(7) H ILE 76 - HG2 GLU 23 OK 17 84 - 20 - 1048/1.8=5, 9650/4.2=4...(5) H LYS 24 - HG2 GLU 62 OK 12 40 - 29 - 3.6/1016=7, 4.6/1024=5...(7) H LYS 24 - HG3 GLU 62 OK 12 40 - 29 - 3.6/1016=7, 4.6/1024=5...(7) H GLU 88 - HG2 GLU 95 poor 10 86 - 12 - 6380=2, 6369/6367=1...(6) H GLU 88 - HG2 GLU 62 poor 4 39 - 11 - 6380=2, 6380/1.8=2...(5) H GLU 88 - HG3 GLU 62 poor 4 39 - 11 - 6380=2, 6380/1.8=2...(5) H ILE 76 - HG2 GLU 95 lone 3 66 - 4 - H ILE 76 - HG2 GLU 62 lone 1 28 - 4 - H ILE 76 - HG3 GLU 62 lone 1 28 - 4 - Peak 1042 from cnoeabs.peaks (8.28, 2.49, 36.23 ppm; 3.55 A): 3 out of 5 assignments used, quality = 0.88: * H GLU 23 + HG3 GLU 23 OK 83 100 - 83 - 5.0=35, 1020/2.9=18...(14) H LYS 94 + HG3 GLU 23 OK 21 87 - 25 - 4.9/10465=5, 4.9/12257=4...(7) H LEU 103 + HG3 GLU 23 OK 11 90 - 12 - 1020/2.9=2, 1028/2.9=2...(6) H ALA 71 - HG3 GLU 23 lone 5 73 - 6 - 1020/2.9=1, 1028/2.9=1 H PHE 45 - HG3 GLU 23 lone 3 73 - 4 - Peak 1043 from cnoeabs.peaks (4.15, 2.49, 36.23 ppm; 3.50 A): 4 out of 7 assignments used, quality = 0.95: * HA GLU 23 + HG3 GLU 23 OK 92 100 - 92 - 4.2=60, 1021/2.9=18...(22) HB2 SER 59 + HG3 GLU 23 OK 16 87 - 19 - 1.8/10471=4, 1021/2.9=3...(7) HA GLN 72 + HG3 GLU 23 OK 14 96 - 14 - 1029/2.9=3, 1021/2.9=3...(5) HA GLU 104 + HG3 GLU 23 OK 13 57 - 22 - 1021/2.9=2, 1029/2.9=2...(11) HA LYS 47 - HG3 GLU 23 lone 7 100 - 7 - 1021/2.9=1, 1029/2.9=1 HA LYS 13 - HG3 GLU 23 lone 6 96 - 7 - 493/2.9=1, 1029/2.9=1 HA MET 1 - HG3 GLU 23 lone 3 90 - 3 - Peak 1044 from cnoeabs.peaks (2.09, 2.49, 36.23 ppm; 2.98 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLU 23 + HG3 GLU 23 OK 100 100 - 100 - 2.9=100 HB2 GLU 16 - HG3 GLU 23 OK 31 90 - 35 - 3.0/10471=6, 1.8/1045=4...(18) HB3 GLU 88 - HG3 GLU 23 OK 28 94 - 30 - 3883/2.9=4, 3.9/1048=4...(14) HB3 GLU 62 - HG3 GLU 23 OK 26 100 - 26 - 2.9/1046=3, 2.9/1046=3...(8) HG3 GLU 104 - HG3 GLU 23 OK 15 90 - 17 - 4546/2.9=3, 1.8/1045=3...(9) HB3 GLU 35 - HG3 GLU 23 lone 7 98 - 7 - 1025=1 QE MET 21 - HG3 GLU 23 lone 6 87 - 7 - 8536/5.0=1 HB3 LEU 38 - HG3 GLU 23 lone 5 81 - 7 - HB3 PRO 86 - HG3 GLU 23 lone 3 65 - 5 - Peak 1045 from cnoeabs.peaks (2.15, 2.49, 36.23 ppm; 3.02 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLU 23 + HG3 GLU 23 OK 100 100 - 100 - 2.9=100 HB3 GLU 95 - HG3 GLU 23 OK 41 99 - 42 - 2.9/1046=5, 4297/1.8=4...(18) HB3 GLU 16 - HG3 GLU 23 OK 30 87 - 35 - 3.0/10471=6, 1.8/1044=5...(16) HG2 GLU 88 - HG3 GLU 23 OK 21 87 - 25 - 3889/2.9=4, 4.9/1048=3...(10) HG2 GLU 104 - HG3 GLU 23 OK 18 98 - 19 - 4540/2.9=3, 1.8/1044=2...(8) HB2 GLN 72 - HG3 GLU 23 OK 11 92 - 11 - 3.0/1043=2, 3192/4.2=1 HB2 GLU 75 - HG3 GLU 23 lone 2 65 - 3 - 4.1/1048=1 HG2 GLU 75 - HG3 GLU 23 lone 1 61 - 2 - HG2 GLU 44 - HG3 GLU 23 lone 0 61 - 1 - Peak 1046 from cnoeabs.peaks (2.27, 2.49, 36.23 ppm; 2.42 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 23 + HG3 GLU 23 OK 100 100 - 100 - 1.8=100 HG2 GLU 95 - HG3 GLU 23 OK 26 100 - 26 - 1040=6, 2.9/1045=3...(9) HG3 GLU 62 - HG3 GLU 23 OK 19 97 - 19 - 1040=2, 1024/2.9=2...(7) HG2 GLU 62 - HG3 GLU 23 OK 19 97 - 19 - 1040=2, 1024/2.9=2...(7) HG2 GLU 37 - HG3 GLU 23 lone 1 87 - 2 - Peak 1047 from cnoeabs.peaks (2.49, 2.49, 36.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 23 + HG3 GLU 23 OK 100 100 - 100 Peak 1048 from cnoeabs.peaks (7.57, 2.49, 36.23 ppm; 4.86 A): 3 out of 3 assignments used, quality = 0.94: * H LYS 24 + HG3 GLU 23 OK 75 100 - 75 - 3.6/1043=24, 4.6/1042=21...(11) H GLU 88 + HG3 GLU 23 OK 70 100 - 70 - 1034/2.9=15, 1026/2.9=15...(16) H ILE 76 + HG3 GLU 23 OK 20 84 - 23 - 9650/4.2=4, 1034/2.9=4...(7) Peak 1049 from cnoeabs.peaks (7.57, 4.10, 58.26 ppm; 3.31 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 24 + HA LYS 24 OK 100 100 - 100 - 3.0=100 H GLU 88 - HA LYS 24 OK 44 100 - 45 - 6382=11, 6397/3.6=8...(14) H ILE 76 - HA LYS 24 OK 10 84 - 12 - 1095/3.7=2, 6397/3.6=2...(5) Peak 1050 from cnoeabs.peaks (4.10, 4.10, 58.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 24 + HA LYS 24 OK 100 100 - 100 Peak 1051 from cnoeabs.peaks (1.96, 4.10, 58.26 ppm; 2.69 A): 2 out of 11 assignments used, quality = 0.98: HB3 LYS 24 + HA LYS 24 OK 87 100 - 87 - 3.0=71, 2.9/1096=12...(25) * HB2 LYS 24 + HA LYS 24 OK 87 100 - 87 - 3.0=71, 2.9/1096=12...(25) HB2 LYS 73 - HA LYS 24 OK 20 99 - 20 - 1074=3, 1.8/1062=2...(8) HB3 LYS 73 - HA LYS 24 OK 20 98 - 20 - 1062=3, 1.8/1062=2...(7) HB2 LYS 47 - HA LYS 24 OK 15 98 - 16 - 1074=2, 4.9/12306=1...(4) HG3 GLU 88 - HA LYS 24 poor 9 61 - 15 - ~3886=2, 4.9/1049=2...(6) HB3 MET 74 - HA LYS 24 lone 8 100 - 8 - HB3 ARG 46 - HA LYS 24 lone 4 100 - 3 - HB2 ARG 46 - HA LYS 24 lone 3 87 - 3 - HB2 GLU 37 - HA LYS 24 lone 2 77 - 2 - QE MET 1 - HA LYS 24 lone 1 81 - 1 - Peak 1052 from cnoeabs.peaks (1.96, 4.10, 58.26 ppm; 2.69 A): 2 out of 11 assignments used, quality = 0.98: * HB3 LYS 24 + HA LYS 24 OK 87 100 - 87 - 3.0=71, 2.9/1096=12...(25) HB2 LYS 24 + HA LYS 24 OK 87 100 - 87 - 3.0=71, 2.9/1096=12...(25) HB2 LYS 73 - HA LYS 24 OK 20 99 - 20 - 1074=3, 1.8/1062=2...(8) HB3 LYS 73 - HA LYS 24 OK 20 98 - 20 - 1062=3, 1.8/1062=2...(7) HB2 LYS 47 - HA LYS 24 OK 15 98 - 16 - 1074=2, 4.9/12306=1...(4) HG3 GLU 88 - HA LYS 24 poor 9 61 - 15 - ~3886=2, 4.9/1049=2...(6) HB3 MET 74 - HA LYS 24 lone 8 100 - 8 - HB3 ARG 46 - HA LYS 24 lone 4 100 - 3 - HB2 ARG 46 - HA LYS 24 lone 3 87 - 3 - HB2 GLU 37 - HA LYS 24 lone 2 77 - 2 - QE MET 1 - HA LYS 24 lone 1 81 - 1 - Peak 1053 from cnoeabs.peaks (1.59, 4.10, 58.26 ppm; 3.61 A): 1 out of 13 assignments used, quality = 0.99: * HG2 LYS 24 + HA LYS 24 OK 99 100 - 99 - 3.7=95, 1.8/1096=30...(28) HG3 LYS 73 - HA LYS 24 OK 27 87 - 31 - 1.8/1054=3, 2.9/1051=3...(9) HG3 LYS 90 - HA LYS 24 OK 24 100 - 24 - 1085=5, 4.9/9950=5...(9) HG3 LYS 12 - HA LYS 24 OK 21 96 - 22 - 1085=4, 1099/3.7=3...(8) HD3 LYS 94 - HA LYS 24 lone 8 87 - 9 - 6401/3.6=2, 6.3/12295=2 HG LEU 27 - HA LYS 24 lone 8 87 - 9 - 6401/3.6=3, 1207/4.8=2 HB2 LEU 103 - HA LYS 24 lone 7 100 - 7 - 6401/3.6=1 HG LEU 103 - HA LYS 24 lone 7 99 - 7 - HD2 LYS 66 - HA LYS 24 lone 7 77 - 8 - HG2 ARG 19 - HA LYS 24 lone 3 100 - 3 - HB3 LEU 29 - HA LYS 24 lone 3 92 - 3 - HB2 ARG 30 - HA LYS 24 lone 1 70 - 1 - HB2 ARG 79 - HA LYS 24 lone 1 81 - 1 - Peak 1054 from cnoeabs.peaks (1.51, 4.10, 58.26 ppm; 3.34 A): 1 out of 14 assignments used, quality = 0.92: * HG3 LYS 24 + HA LYS 24 OK 92 100 - 92 - 3.7=75, 1.8/1053=15...(24) HB2 LEU 14 - HA LYS 24 OK 22 81 - 28 - 3.0/8422=7, 3.1/8412=5...(7) HG2 LYS 73 - HA LYS 24 OK 18 73 - 25 - 1.8/1053=4, 2.9/1051=2...(8) HG2 LYS 47 - HA LYS 24 OK 16 70 - 23 - 3.8/12306=3, 3.8/12306=3...(8) HG3 LYS 13 - HA LYS 24 OK 13 90 - 15 - 3.0/1118=2, 3.0/1056=2...(5) HG3 LYS 33 - HA LYS 24 lone 10 99 - 10 - 1096=3, 1099/3.7=1...(4) HG LEU 2 - HA LYS 24 lone 8 97 - 9 - 6402/3.6=1, 71/4.8=1 HG3 LYS 66 - HA LYS 24 lone 5 77 - 6 - HB3 LEU 64 - HA LYS 24 lone 5 65 - 7 - 3.9/1059=3, 2818/3.6=2 HG2 LYS 66 - HA LYS 24 lone 4 70 - 6 - HB3 LEU 103 - HA LYS 24 lone 4 77 - 5 - 1.8/1053=1 HB ILE 7 - HA LYS 24 lone 3 81 - 3 - HG LEU 57 - HA LYS 24 lone 2 97 - 2 - HG LEU 6 - HA LYS 24 lone 2 70 - 2 - Peak 1055 from cnoeabs.peaks (1.70, 4.10, 58.26 ppm; 3.34 A): 2 out of 18 assignments used, quality = 0.96: HD3 LYS 24 + HA LYS 24 OK 81 100 - 81 - 4.9=31, 3.0/1096=19...(35) * HD2 LYS 24 + HA LYS 24 OK 81 100 - 81 - 4.9=31, 3.0/1096=19...(35) HG2 PRO 86 - HA LYS 24 OK 26 100 - 26 - 2.3/3823=5, 2.3/3815=4...(9) HD2 LYS 13 - HA LYS 24 OK 25 99 - 26 - 1118=3, 1.8/1118=2...(6) HD3 LYS 13 - HA LYS 24 OK 25 97 - 26 - 1118=3, 1.8/1118=3...(6) HD2 LYS 12 - HA LYS 24 OK 24 99 - 25 - 1118=3, 3.0/1053=2...(4) HD3 LYS 12 - HA LYS 24 OK 24 99 - 25 - 1118=3, 3.0/1053=2...(4) HD3 LYS 47 - HA LYS 24 OK 20 81 - 25 - 3.0/12306=4, 3.0/12306=4...(5) HD2 LYS 47 - HA LYS 24 OK 19 77 - 25 - 3.0/12306=4, 3.0/12306=4...(5) HD3 LYS 90 - HA LYS 24 OK 13 100 - 14 - 6.1/9950=3, 2.9/1053=3...(4) HB2 LEU 2 - HA LYS 24 lone 8 98 - 8 - 55/4.8=1, 3.0/1054=1, 6404/3.6=1 HD3 LYS 66 - HA LYS 24 lone 7 98 - 7 - HG12 ILE 15 - HA LYS 24 lone 5 100 - 5 - HG LEU 70 - HA LYS 24 lone 4 100 - 4 - HB3 ARG 91 - HA LYS 24 lone 3 84 - 4 - HB3 LYS 53 - HA LYS 24 lone 1 92 - 1 - HB3 LYS 40 - HA LYS 24 lone 1 87 - 1 - HD2 LYS 20 - HA LYS 24 lone 1 65 - 1 - Peak 1056 from cnoeabs.peaks (1.70, 4.10, 58.26 ppm; 3.34 A): 2 out of 19 assignments used, quality = 0.96: * HD3 LYS 24 + HA LYS 24 OK 81 100 - 81 - 4.9=31, 3.0/1096=19...(35) HD2 LYS 24 + HA LYS 24 OK 81 100 - 81 - 4.9=31, 3.0/1096=19...(35) HD2 LYS 13 - HA LYS 24 OK 26 99 - 26 - 1118=3, 1.8/1118=2...(6) HG2 PRO 86 - HA LYS 24 OK 26 99 - 26 - 2.3/3823=5, 2.3/3815=4...(9) HD3 LYS 13 - HA LYS 24 OK 25 98 - 26 - 1118=3, 1.8/1118=3...(6) HD2 LYS 12 - HA LYS 24 OK 24 99 - 25 - 1118=3, 3.0/1053=2...(4) HD3 LYS 12 - HA LYS 24 OK 24 99 - 25 - 1118=3, 3.0/1053=2...(4) HD3 LYS 47 - HA LYS 24 OK 19 77 - 25 - 3.0/12306=4, 3.0/12306=4...(5) HD2 LYS 47 - HA LYS 24 OK 18 73 - 25 - 3.0/12306=4, 3.0/12306=4...(5) HD3 LYS 90 - HA LYS 24 OK 13 100 - 13 - 6.1/9950=3, 2.9/1053=3...(4) HB2 LEU 2 - HA LYS 24 lone 8 99 - 8 - 55/4.8=1, 3.0/1054=1, 6404/3.6=1 HD3 LYS 66 - HA LYS 24 lone 7 99 - 7 - HG12 ILE 15 - HA LYS 24 lone 5 100 - 5 - HG LEU 70 - HA LYS 24 lone 4 100 - 4 - HB3 ARG 91 - HA LYS 24 lone 3 81 - 4 - HB3 LEU 70 - HA LYS 24 lone 3 61 - 4 - 4.1/12295=2 HB3 LYS 53 - HA LYS 24 lone 1 90 - 1 - HB3 LYS 40 - HA LYS 24 lone 1 84 - 1 - HD2 LYS 20 - HA LYS 24 lone 1 61 - 1 - Peak 1057 from cnoeabs.peaks (2.96, 4.10, 58.26 ppm; 4.74 A): 2 out of 11 assignments used, quality = 0.99: * HE2 LYS 24 + HA LYS 24 OK 90 100 - 90 - 6.2=44, 3.7/1096=29...(40) HE3 LYS 24 + HA LYS 24 OK 90 100 - 90 - 6.2=44, 3.7/1096=29...(40) HE2 LYS 13 - HA LYS 24 OK 38 100 - 38 - 2.9/1118=3, 2.9/1118=3...(20) HE3 LYS 13 - HA LYS 24 OK 38 99 - 38 - 2.9/1118=3, 2.9/1118=3...(18) HE3 LYS 47 - HA LYS 24 OK 34 87 - 40 - 1.8/12306=9, 12306=3...(17) HE2 LYS 47 - HA LYS 24 OK 34 87 - 40 - 1.8/12306=9, 12306=3...(17) HE2 LYS 73 - HA LYS 24 OK 31 90 - 35 - 4.0/1053=4, 4.0/1054=3...(17) HE3 LYS 73 - HA LYS 24 OK 25 73 - 35 - 4.0/1053=4, 4.0/1054=3...(16) HE3 LYS 12 - HA LYS 24 OK 24 100 - 24 - 4.0/1053=3, 3.0/1118=3...(8) HB3 PHE 45 - HA LYS 24 lone 5 99 - 5 - 3.7/12295=2 HB2 ASN 51 - HA LYS 24 lone 1 73 - 2 - Peak 1058 from cnoeabs.peaks (2.96, 4.10, 58.26 ppm; 4.74 A): 2 out of 11 assignments used, quality = 0.99: HE2 LYS 24 + HA LYS 24 OK 90 100 - 90 - 6.2=44, 3.7/1096=29...(40) * HE3 LYS 24 + HA LYS 24 OK 90 100 - 90 - 6.2=44, 3.7/1096=29...(40) HE2 LYS 13 - HA LYS 24 OK 38 100 - 38 - 2.9/1118=3, 2.9/1118=3...(20) HE3 LYS 13 - HA LYS 24 OK 38 99 - 38 - 2.9/1118=3, 2.9/1118=3...(18) HE3 LYS 47 - HA LYS 24 OK 34 87 - 40 - 1.8/12306=9, 12306=3...(17) HE2 LYS 47 - HA LYS 24 OK 34 87 - 40 - 1.8/12306=9, 12306=3...(17) HE2 LYS 73 - HA LYS 24 OK 31 90 - 35 - 4.0/1053=4, 4.0/1054=3...(17) HE3 LYS 73 - HA LYS 24 OK 25 73 - 35 - 4.0/1053=4, 4.0/1054=3...(16) HE3 LYS 12 - HA LYS 24 OK 24 100 - 24 - 4.0/1053=3, 3.0/1118=3...(8) HB3 PHE 45 - HA LYS 24 lone 5 99 - 5 - 3.7/12295=2 HB2 ASN 51 - HA LYS 24 lone 1 73 - 2 - Peak 1059 from cnoeabs.peaks (7.71, 4.10, 58.26 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 25 + HA LYS 24 OK 100 100 - 100 - 3.6=100 H LEU 64 - HA LYS 24 OK 22 97 - 23 - 1155/4.8=4, 6391/3.0=3...(9) H SER 49 - HA LYS 24 lone 8 77 - 10 - 1105/3.7=1, 6391/3.0=1...(5) Peak 1060 from cnoeabs.peaks (4.41, 1.96, 32.08 ppm; 3.26 A): 4 out of 45 assignments used, quality = 0.94: HA ALA 25 + HB2 LYS 24 OK 62 100 - 62 - 10472/2.9=9, 3.0/1071=8...(21) HA ALA 25 + HB3 LYS 24 OK 62 100 - 62 - 10472/2.9=9, 3.0/1071=8...(21) HA MET 74 + HB2 LYS 73 OK 36 73 - 49 - 10859/3.0=8, 3.0/7218=6...(19) HA MET 74 + HB3 LYS 73 OK 33 68 - 49 - 10859/3.0=8, 3.0/7218=6...(19) HA MET 74 - HB2 LYS 24 OK 25 96 - 26 - 3329=2, 3329/1.8=2...(13) HA MET 74 - HB3 LYS 24 OK 25 96 - 26 - 3329=2, 3329/1.8=2...(13) ! HA MET 21 - HB2 LYS 24 OK 21 100 - 21 - 956/4.0=5, 957=5...(6) HA MET 21 - HB3 LYS 24 OK 21 100 - 21 - 956/4.0=5, 957=5...(6) HA ALA 25 - HB2 LYS 73 OK 16 80 - 20 - 1153/4.1=2, 3.0/6400=2...(11) HA ALA 25 - HB3 LYS 73 OK 15 75 - 20 - 1153/4.1=2, 3.0/6400=2...(13) HA MET 21 - HB2 LYS 73 OK 10 80 - 13 - 958=3, 958/1.8=2...(4) HA MET 21 - HB3 LYS 73 poor 9 75 - 13 - 958=3, 957/1.8=2...(4) HA ILE 76 - HB2 LYS 24 poor 9 70 - 13 - 3.0/9644=2, ~9644=1, 8595/2.9=1 HA ILE 76 - HB3 LYS 24 poor 9 70 - 13 - 3.0/9644=2, ~9644=1, 8595/2.9=1 HA GLU 48 - HB2 LYS 47 poor 9 32 - 28 - 3.0/6782=8, ~6783=5...(8) HA VAL 32 - HB3 LYS 24 lone 7 100 - 7 - 10145/2.9=1 HA VAL 32 - HB2 LYS 24 lone 7 100 - 7 - 10145/2.9=1 HA ALA 25 - HB2 LYS 47 poor 7 55 - 12 - ~6396=2, 3.0/6399=2...(5) HA HIS 106 - HB2 LYS 24 lone 6 99 - 6 - 958=1, 956/4.0=1, 957/1.8=1 HA HIS 106 - HB3 LYS 24 lone 6 99 - 6 - 958=1, 956/4.0=1, 957/1.8=1 HA GLU 48 - HB3 LYS 24 lone 6 70 - 9 - 3.0/6782=2, ~6782=1 HA GLU 48 - HB2 LYS 24 lone 6 70 - 9 - 3.0/6782=2, ~6782=1 HA VAL 32 - HB2 LYS 73 lone 5 80 - 6 - 7225/4.6=1, 1391/1.8=1 HA VAL 32 - HB3 LYS 73 lone 5 75 - 6 - 7225/4.6=1, 1391/1.8=1 HA MET 74 - HB2 LYS 47 lone 4 49 - 8 - HA ILE 76 - HB2 LYS 73 lone 4 49 - 8 - 3.0/9644=2, 3.8/9665=1, ~9644=1 HA ILE 76 - HB3 LYS 73 lone 4 45 - 8 - 3.0/9644=2, 3.8/9665=1, ~9644=1 HA HIS 106 - HB2 LYS 73 lone 3 78 - 4 - HA HIS 106 - HB3 LYS 73 lone 3 73 - 4 - HA SER 9 - HB2 LYS 47 lone 2 30 - 8 - ~10615=1, ~2145=1 HA ILE 76 - HB2 LYS 47 lone 2 32 - 7 - 6790/4.7=1 HA MET 21 - HB2 LYS 47 lone 2 56 - 4 - HA VAL 32 - HB2 LYS 47 lone 2 56 - 3 - HA GLU 48 - HB2 LYS 73 lone 2 49 - 3 - HA GLN 50 - HB3 LYS 24 lone 2 84 - 2 - HA GLN 50 - HB2 LYS 24 lone 2 84 - 2 - HA GLU 48 - HB3 LYS 73 lone 1 45 - 3 - HA GLN 50 - HB2 LYS 73 lone 1 61 - 2 - 7225/4.6=1 HA GLN 50 - HB2 LYS 47 lone 1 40 - 4 - 9096/4.7=2 HA GLN 50 - HB3 LYS 73 lone 1 56 - 2 - 7225/4.6=1 HA SER 9 - HB3 LYS 24 lone 1 65 - 2 - HA SER 9 - HB2 LYS 24 lone 1 65 - 2 - HA HIS 106 - HB2 LYS 47 lone 1 54 - 1 - HA SER 9 - HB2 LYS 73 lone 0 46 - 1 - HA SER 9 - HB3 LYS 73 lone 0 42 - 1 - Peak 1061 from cnoeabs.peaks (7.57, 1.96, 32.08 ppm; 2.96 A): 3 out of 15 assignments used, quality = 0.95: H LYS 24 + HB3 LYS 24 OK 72 100 - 72 - 4.0=39, 3.0/1062=9...(16) * H LYS 24 + HB2 LYS 24 OK 72 100 - 72 - 4.0=39, 3.0/1062=9...(16) H GLU 88 + HB2 LYS 24 OK 29 100 - 29 - 1049/3.0=6, 6397/4.4=5...(9) H GLU 88 - HB3 LYS 24 OK 29 100 - 29 - 1049/3.0=6, 6397/4.4=5...(9) H LYS 24 - HB2 LYS 73 OK 15 80 - 19 - 6383=3, 3.0/1052=2...(5) H LYS 24 - HB3 LYS 73 OK 14 75 - 19 - 6383=2, 3.0/1052=2...(5) H ILE 76 - HB3 LYS 24 OK 11 84 - 13 - 1095/2.9=1, 1049/3.0=1...(4) H ILE 76 - HB2 LYS 24 OK 11 84 - 13 - 1095/2.9=1, 1049/3.0=1...(4) H LYS 24 - HB2 LYS 47 poor 6 56 - 11 - 6377/3.0=2, 3.0/1051=2, 6384=1 H ILE 76 - HB2 LYS 73 lone 6 61 - 10 - 9643/4.6=3, 4.6/7236=1...(4) H GLU 88 - HB2 LYS 73 lone 5 80 - 7 - H ILE 76 - HB3 LYS 73 lone 5 56 - 9 - 9643/4.6=3, 4.6/7236=1...(4) H GLU 88 - HB3 LYS 73 lone 5 75 - 7 - H GLU 88 - HB2 LYS 47 lone 3 55 - 6 - H ILE 76 - HB2 LYS 47 lone 2 40 - 4 - Peak 1062 from cnoeabs.peaks (4.10, 1.96, 32.08 ppm; 2.83 A): 2 out of 10 assignments used, quality = 1.00: HA LYS 24 + HB3 LYS 24 OK 93 100 - 93 - 3.0=83, 1096/2.9=14...(25) * HA LYS 24 + HB2 LYS 24 OK 93 100 - 93 - 3.0=83, 1096/2.9=14...(25) HA LYS 24 - HB2 LYS 73 OK 19 80 - 24 - 1051=4, 1052/1.8=3...(8) HA LYS 24 - HB3 LYS 73 OK 17 75 - 23 - 1051=4, 1052/1.8=3...(8) HA PRO 86 - HB3 LYS 24 OK 12 90 - 13 - 1096/2.9=2, 6398/4.4=2...(6) HA PRO 86 - HB2 LYS 24 OK 12 90 - 13 - 1096/2.9=2, 6398/4.4=2...(6) HA LYS 24 - HB2 LYS 47 OK 10 56 - 19 - 1052=3, 12306/4.9=1...(5) HA PRO 86 - HB2 LYS 47 lone 2 44 - 4 - HA PRO 86 - HB2 LYS 73 lone 1 66 - 1 - HA PRO 86 - HB3 LYS 73 lone 1 61 - 1 - Peak 1063 from cnoeabs.peaks (1.96, 1.96, 32.08 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 LYS 24 + HB3 LYS 24 OK 100 100 - 100 * HB2 LYS 24 + HB2 LYS 24 OK 100 100 - 100 HB2 LYS 73 + HB2 LYS 73 OK 77 77 - 100 HB3 LYS 73 + HB3 LYS 73 OK 71 71 - 100 HB2 LYS 47 + HB2 LYS 47 OK 52 52 - 100 Peak 1064 from cnoeabs.peaks (1.96, 1.96, 32.08 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 LYS 24 + HB3 LYS 24 OK 100 100 - 100 HB2 LYS 24 + HB2 LYS 24 OK 100 100 - 100 HB2 LYS 73 + HB2 LYS 73 OK 77 77 - 100 HB3 LYS 73 + HB3 LYS 73 OK 71 71 - 100 HB2 LYS 47 + HB2 LYS 47 OK 52 52 - 100 Reference assignment not found: HB3 LYS 24 - HB2 LYS 24 Peak 1065 from cnoeabs.peaks (1.59, 1.96, 32.08 ppm; 2.90 A): 4 out of 65 assignments used, quality = 1.00: HG2 LYS 24 + HB3 LYS 24 OK 98 100 - 98 - 2.9=96, 1.8/1097=10...(27) * HG2 LYS 24 + HB2 LYS 24 OK 98 100 - 98 - 2.9=96, 1.8/1097=10...(27) HG3 LYS 73 + HB2 LYS 73 OK 63 63 - 99 - 2.9=97, 3274/1.8=6...(39) HG3 LYS 73 + HB3 LYS 73 OK 58 59 - 99 - 2.9=97, 3274/1.8=6...(39) HG2 LYS 24 - HB2 LYS 73 OK 27 80 - 33 - 9954/3.0=4, 1087=3...(10) HG3 LYS 73 - HB3 LYS 24 OK 27 87 - 31 - 3273=3, 1099/2.9=2...(8) HG3 LYS 73 - HB2 LYS 24 OK 27 87 - 31 - 3273=3, 1099/2.9=2...(8) HG2 LYS 24 - HB3 LYS 73 OK 25 75 - 34 - 9954/3.0=4, 1087=3...(10) HG3 LYS 90 - HB2 LYS 24 OK 19 100 - 19 - 1099/2.9=2, 1053/3.0=2...(7) HG3 LYS 90 - HB3 LYS 24 OK 19 100 - 19 - 1099/2.9=2, 1053/3.0=2...(7) HG3 LYS 12 - HB3 LYS 24 OK 19 96 - 20 - 1099/2.9=2, 1053/3.0=2...(5) HG3 LYS 12 - HB2 LYS 24 OK 19 96 - 20 - 1099/2.9=2, 1053/3.0=2...(5) HD3 LYS 94 - HB2 LYS 47 OK 17 42 - 40 - 4247/3.0=5, 4243/1.8=4...(18) HG2 LYS 24 - HB2 LYS 47 OK 13 56 - 24 - 1086=2, 1.8/1097=2...(5) HG3 LYS 73 - HB2 LYS 47 poor 10 42 - 23 - 3273=2, 3275/3.0=2...(8) HG3 LYS 12 - HB2 LYS 73 poor 9 73 - 12 - 3273=1, 3232/3.0=1 HG3 LYS 12 - HB3 LYS 73 poor 8 68 - 12 - 3273=1, 3232/3.0=1 HB2 LEU 103 - HB3 LYS 24 lone 6 100 - 6 - HB2 LEU 103 - HB2 LYS 24 lone 6 100 - 6 - HD2 LYS 66 - HB3 LYS 24 lone 6 77 - 8 - HD2 LYS 66 - HB2 LYS 24 lone 6 77 - 8 - HG LEU 103 - HB2 LYS 24 lone 6 99 - 6 - HG LEU 103 - HB3 LYS 24 lone 6 99 - 6 - HD2 LYS 66 - HB2 LYS 73 lone 5 55 - 10 - HD2 LYS 66 - HB3 LYS 73 lone 5 51 - 10 - HG3 LYS 90 - HB2 LYS 73 lone 5 80 - 6 - HG LEU 27 - HB2 LYS 73 lone 5 63 - 7 - ~10850=1 HG3 LYS 90 - HB3 LYS 73 lone 4 75 - 6 - HG LEU 27 - HB2 LYS 24 lone 4 87 - 5 - 6401/4.4=2 HG LEU 27 - HB3 LYS 24 lone 4 87 - 5 - 6401/4.4=2 HG LEU 27 - HB3 LYS 73 lone 4 59 - 7 - ~10850=1 HD3 LYS 94 - HB3 LYS 24 lone 4 87 - 4 - HD3 LYS 94 - HB2 LYS 24 lone 4 87 - 4 - HB2 ARG 79 - HB2 LYS 73 lone 3 58 - 5 - HB2 ARG 79 - HB3 LYS 73 lone 3 53 - 5 - HD3 LYS 94 - HB2 LYS 73 lone 3 63 - 4 - HD3 LYS 94 - HB3 LYS 73 lone 2 59 - 4 - HG2 ARG 19 - HB2 LYS 24 lone 2 100 - 2 - HG2 ARG 19 - HB3 LYS 24 lone 2 100 - 2 - HB3 LEU 29 - HB2 LYS 24 lone 2 92 - 2 - HB3 LEU 29 - HB3 LYS 24 lone 2 92 - 2 - HG3 LYS 90 - HB2 LYS 47 lone 2 55 - 3 - HG3 LYS 12 - HB2 LYS 47 lone 2 49 - 3 - HG2 ARG 19 - HB2 LYS 73 lone 1 80 - 2 - HB3 LEU 29 - HB2 LYS 73 lone 1 68 - 2 - HG2 ARG 19 - HB3 LYS 73 lone 1 75 - 2 - HG2 ARG 19 - HB2 LYS 47 lone 1 55 - 2 - HB3 LEU 29 - HB3 LYS 73 lone 1 63 - 2 - HB2 LEU 103 - HB2 LYS 73 lone 1 80 - 1 - HB2 ARG 30 - HB2 LYS 73 lone 1 49 - 2 - HD2 LYS 66 - HB2 LYS 47 lone 1 36 - 2 - HG LEU 103 - HB2 LYS 73 lone 1 78 - 1 - HB2 LEU 103 - HB3 LYS 73 lone 1 75 - 1 - HB2 ARG 79 - HB3 LYS 24 lone 1 81 - 1 - HB2 ARG 79 - HB2 LYS 24 lone 1 81 - 1 - HB2 ARG 30 - HB3 LYS 73 lone 1 45 - 2 - HG LEU 103 - HB3 LYS 73 lone 1 73 - 1 - HB2 ARG 30 - HB2 LYS 24 lone 1 70 - 1 - HB2 ARG 30 - HB3 LYS 24 lone 1 70 - 1 - HG LEU 27 - HB2 LYS 47 lone 0 42 - 1 - HB2 LEU 103 - HB2 LYS 47 lone 0 55 - 1 - HG LEU 103 - HB2 LYS 47 lone 0 54 - 1 - HB2 ARG 30 - HB2 LYS 47 lone 0 32 - 1 - HB3 LEU 29 - HB2 LYS 47 lone 0 46 - 1 - HB2 ARG 79 - HB2 LYS 47 lone 0 38 - 0 - Peak 1066 from cnoeabs.peaks (1.51, 1.96, 32.08 ppm; 2.96 A): 4 out of 70 assignments used, quality = 1.00: HG3 LYS 24 + HB3 LYS 24 OK 100 100 - 100 - 2.9=100 * HG3 LYS 24 + HB2 LYS 24 OK 100 100 - 100 - 2.9=100 HG2 LYS 73 + HB2 LYS 73 OK 52 52 - 100 - 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 48 48 - 100 - 2.9=100 HG2 LYS 47 - HB2 LYS 47 OK 31 32 - 99 - 3.0=99 HG3 LYS 24 - HB2 LYS 73 OK 28 80 - 35 - 1098=4, ~9954=3...(11) HG3 LYS 24 - HB3 LYS 73 OK 26 75 - 35 - 1097=4, ~9954=3...(11) HG2 LYS 73 - HB3 LYS 24 OK 22 73 - 30 - 1.8/3273=2, 1054/3.0=2...(11) HG2 LYS 73 - HB2 LYS 24 OK 22 73 - 30 - 1.8/3273=2, 1054/3.0=2...(11) HG2 LYS 47 - HB3 LYS 24 OK 21 70 - 30 - 1.8/2170=4, ~2170=2...(8) HG2 LYS 47 - HB2 LYS 24 OK 21 70 - 30 - 1.8/2170=4, ~2170=2...(8) HG3 LYS 13 - HB2 LYS 24 OK 16 90 - 18 - 1089/2.9=1, 1054/3.0=1 HG3 LYS 13 - HB3 LYS 24 OK 16 90 - 18 - 1089/2.9=1, 1054/3.0=1 HG3 LYS 24 - HB2 LYS 47 OK 14 56 - 25 - 1097=3, 1.8/1087=2...(5) HG2 LYS 47 - HB2 LYS 73 OK 13 49 - 27 - 1.8/2170=3, ~2170=2...(9) HG2 LYS 47 - HB3 LYS 73 OK 12 45 - 26 - 1.8/2170=2, ~2170=2...(9) HG3 LYS 13 - HB2 LYS 47 OK 11 44 - 26 - ~518=2, ~519=2, ~520=2...(10) HB2 LEU 14 - HB2 LYS 24 OK 11 81 - 14 - 1054/3.0=2, ~8420=2...(6) HB2 LEU 14 - HB3 LYS 24 OK 11 81 - 14 - 1054/3.0=2, ~8420=2...(6) HG3 LYS 33 - HB2 LYS 24 OK 11 99 - 11 - 1096/3.0=1, 1097=1, 1099/2.9=1 HG3 LYS 33 - HB3 LYS 24 OK 11 99 - 11 - 1096/3.0=1, 1097=1, 1099/2.9=1 HG3 LYS 13 - HB2 LYS 73 poor 9 66 - 14 - HG3 LYS 13 - HB3 LYS 73 poor 9 61 - 14 - HG LEU 2 - HB3 LYS 24 lone 8 97 - 8 - HG LEU 2 - HB2 LYS 24 lone 8 97 - 8 - HG LEU 2 - HB2 LYS 73 poor 8 74 - 10 - 75/4.1=3, ~12297=2...(4) HG LEU 2 - HB3 LYS 73 lone 7 69 - 10 - 75/4.1=3, ~12297=2...(4) HG3 LYS 66 - HB3 LYS 24 lone 7 77 - 9 - HG3 LYS 66 - HB2 LYS 24 lone 7 77 - 9 - HG2 LYS 73 - HB2 LYS 47 poor 7 34 - 20 - 1.8/3273=2, 2162/3.0=2...(5) HG3 LYS 66 - HB2 LYS 73 poor 6 55 - 11 - HG2 LYS 66 - HB2 LYS 24 lone 6 70 - 8 - HG2 LYS 66 - HB3 LYS 24 lone 6 70 - 8 - HG3 LYS 66 - HB3 LYS 73 poor 6 51 - 11 - HG2 LYS 66 - HB2 LYS 73 poor 5 49 - 11 - HG2 LYS 66 - HB3 LYS 73 poor 5 45 - 11 - HB3 LEU 103 - HB2 LYS 24 lone 5 77 - 6 - HB3 LEU 103 - HB3 LYS 24 lone 5 77 - 6 - HG3 LYS 33 - HB2 LYS 47 lone 4 54 - 7 - HG LEU 57 - HB2 LYS 73 lone 3 74 - 3 - HG LEU 57 - HB3 LYS 73 lone 2 69 - 3 - HG LEU 57 - HB3 LYS 24 lone 2 97 - 2 - HG LEU 57 - HB2 LYS 24 lone 2 97 - 2 - HB3 LEU 64 - HB2 LYS 24 lone 2 65 - 4 - 2818/4.4=1 HB3 LEU 64 - HB3 LYS 24 lone 2 65 - 4 - 2818/4.4=1 HG3 LYS 33 - HB2 LYS 73 lone 2 78 - 2 - HG3 LYS 33 - HB3 LYS 73 lone 2 73 - 2 - HB3 LEU 64 - HB2 LYS 73 lone 2 46 - 3 - HG3 LYS 66 - HB2 LYS 47 lone 1 36 - 4 - HB ILE 7 - HB3 LYS 24 lone 1 81 - 2 - HB ILE 7 - HB2 LYS 24 lone 1 81 - 2 - HB3 LEU 64 - HB3 LYS 73 lone 1 42 - 3 - HG2 LYS 66 - HB2 LYS 47 lone 1 32 - 4 - HG LEU 57 - HB2 LYS 47 lone 1 51 - 2 - HG LEU 2 - HB2 LYS 47 lone 1 51 - 2 - HB2 LEU 14 - HB2 LYS 73 lone 1 58 - 2 - HB2 LEU 14 - HB3 LYS 73 lone 1 53 - 2 - HG LEU 6 - HB2 LYS 24 lone 1 70 - 1 - HG LEU 6 - HB3 LYS 24 lone 1 70 - 1 - HB3 LEU 64 - HB2 LYS 47 lone 1 30 - 3 - HB ILE 7 - HB2 LYS 73 lone 1 58 - 1 - HG LEU 6 - HB2 LYS 73 lone 1 49 - 1 - HB3 LEU 103 - HB2 LYS 73 lone 0 55 - 1 - HB ILE 7 - HB3 LYS 73 lone 0 53 - 1 - HG LEU 6 - HB3 LYS 73 lone 0 45 - 1 - HB3 LEU 103 - HB3 LYS 73 lone 0 51 - 1 - HB2 LEU 14 - HB2 LYS 47 lone 0 38 - 1 - HB ILE 7 - HB2 LYS 47 lone 0 38 - 1 - HB3 LEU 103 - HB2 LYS 47 lone 0 36 - 0 - HG LEU 6 - HB2 LYS 47 lone 0 32 - 0 - Peak 1067 from cnoeabs.peaks (1.70, 1.96, 32.08 ppm; 2.83 A): 4 out of 90 assignments used, quality = 1.00: HD2 LYS 24 + HB3 LYS 24 OK 82 100 - 82 - 3.6=50, 3.0/1098=7...(39) * HD2 LYS 24 + HB2 LYS 24 OK 82 100 - 82 - 3.6=50, 3.0/1098=7...(39) HD3 LYS 24 + HB3 LYS 24 OK 82 100 - 82 - 3.6=50, 3.0/1097=7...(39) HD3 LYS 24 + HB2 LYS 24 OK 82 100 - 82 - 3.6=50, 3.0/1097=7...(39) HD3 LYS 47 - HB2 LYS 47 OK 29 38 - 77 - 3.9=37, 2195/3.0=5...(48) HD3 LYS 12 - HB3 LYS 24 OK 28 99 - 29 - 1102/2.9=2, 1120=1, 1056/3.0=1 HD3 LYS 12 - HB2 LYS 24 OK 28 99 - 29 - 1102/2.9=2, 1120=1, 1056/3.0=1 HD2 LYS 12 - HB2 LYS 24 OK 28 99 - 29 - 1102/2.9=2, 1120=1, 1056/3.0=1 HD2 LYS 12 - HB3 LYS 24 OK 28 99 - 29 - 1102/2.9=2, 1120=1, 1056/3.0=1 HD2 LYS 47 - HB2 LYS 47 OK 28 36 - 77 - 3.9=37, 2195/3.0=5...(48) HD2 LYS 13 - HB2 LYS 24 OK 26 99 - 26 - 1102/2.9=1, 1120=1, 1118/3.0=1 HD2 LYS 13 - HB3 LYS 24 OK 26 99 - 26 - 1102/2.9=1, 1120=1, 1118/3.0=1 HD3 LYS 13 - HB3 LYS 24 OK 25 97 - 26 - 1102/2.9=1, 1056/3.0=1, 1119=1 HD3 LYS 13 - HB2 LYS 24 OK 25 97 - 26 - 1102/2.9=1, 1056/3.0=1, 1119=1 HD2 LYS 24 - HB2 LYS 73 OK 23 80 - 29 - 3.0/1097=2, ~9954=2...(4) HD3 LYS 24 - HB2 LYS 73 OK 23 80 - 29 - 3.0/1097=2, ~9954=2...(4) HD2 LYS 24 - HB3 LYS 73 OK 22 75 - 29 - ~9954=2, 3.0/1097=2...(5) HD3 LYS 24 - HB3 LYS 73 OK 22 75 - 29 - ~9954=2, 3.0/1098=2...(4) HD3 LYS 47 - HB2 LYS 24 OK 21 81 - 27 - 3.0/2170=2, 1.8/2192=1...(10) HD3 LYS 47 - HB3 LYS 24 OK 21 81 - 27 - 3.0/2170=2, 1.8/2192=1...(10) HD2 LYS 47 - HB3 LYS 24 OK 20 77 - 27 - 3.0/2170=2, 1.8/2192=1...(9) HD2 LYS 47 - HB2 LYS 24 OK 20 77 - 27 - 3.0/2170=2, 1.8/2192=1...(9) HD2 LYS 13 - HB2 LYS 73 OK 15 77 - 20 - HD3 LYS 90 - HB2 LYS 24 OK 15 100 - 15 - ~3973=1, ~3963=1...(4) HD3 LYS 90 - HB3 LYS 24 OK 15 100 - 15 - ~3973=1, ~3963=1...(4) HD3 LYS 13 - HB2 LYS 73 OK 15 74 - 20 - HD2 LYS 13 - HB3 LYS 73 OK 14 72 - 20 - HD2 LYS 24 - HB2 LYS 47 OK 14 56 - 26 - 3.0/1098=1, 1108=1, 3.0/1087=1 HD3 LYS 24 - HB2 LYS 47 OK 14 55 - 26 - 3.0/1097=1, 1108=1, 3.0/1086=1 HD2 LYS 13 - HB2 LYS 47 OK 14 53 - 27 - 1119=1, ~519=1, ~518=1 HD3 LYS 13 - HB3 LYS 73 OK 14 69 - 20 - HD3 LYS 13 - HB2 LYS 47 OK 14 51 - 27 - 1120=1, ~519=1, ~518=1 HD3 LYS 47 - HB2 LYS 73 OK 12 58 - 21 - 3.0/2170=2, 1.8/2181=1 HD2 LYS 47 - HB2 LYS 73 OK 11 55 - 21 - 3.0/2170=2, 1.8/2192=1 HD3 LYS 47 - HB3 LYS 73 OK 11 53 - 21 - 3.0/2170=2 HG2 PRO 86 - HB2 LYS 24 OK 11 100 - 11 - 3831/3.0=2, ~3823=1...(4) HG2 PRO 86 - HB3 LYS 24 OK 11 100 - 11 - 3831/3.0=2, ~3823=1...(4) HD2 LYS 47 - HB3 LYS 73 OK 11 51 - 21 - 3.0/2170=2 HD2 LYS 12 - HB2 LYS 73 OK 10 77 - 13 - HD3 LYS 12 - HB2 LYS 73 OK 10 77 - 13 - HD3 LYS 12 - HB3 LYS 73 poor 10 72 - 13 - HD2 LYS 12 - HB3 LYS 73 poor 10 72 - 13 - HB3 ARG 91 - HB2 LYS 47 poor 8 40 - 20 - 3.0/1959=2, ~2150=2...(9) HB2 LEU 2 - HB2 LYS 73 lone 7 76 - 10 - 59/4.1=2, ~12297=2...(5) HD3 LYS 66 - HB2 LYS 73 lone 7 76 - 9 - 2947/2.9=1 HD3 LYS 66 - HB2 LYS 24 lone 6 98 - 6 - HD3 LYS 66 - HB3 LYS 24 lone 6 98 - 6 - HB2 LEU 2 - HB3 LYS 73 lone 6 71 - 9 - 59/4.1=2, ~12297=2...(5) HD3 LYS 66 - HB3 LYS 73 lone 6 71 - 9 - 2947/2.9=1 HB2 LEU 2 - HB3 LYS 24 lone 6 98 - 6 - HB2 LEU 2 - HB2 LYS 24 lone 6 98 - 6 - HG LEU 70 - HB2 LYS 73 lone 5 79 - 7 - 3.7/10815=4 HG LEU 70 - HB3 LYS 73 lone 5 74 - 6 - 3.7/10815=4 HD2 LYS 20 - HB2 LYS 47 poor 4 30 - 14 - HD3 LYS 90 - HB2 LYS 73 lone 4 80 - 4 - HD3 LYS 90 - HB3 LYS 73 lone 3 75 - 4 - HD3 LYS 12 - HB2 LYS 47 lone 3 53 - 6 - HD2 LYS 12 - HB2 LYS 47 lone 3 53 - 6 - HG12 ILE 15 - HB2 LYS 24 lone 3 100 - 3 - HG12 ILE 15 - HB3 LYS 24 lone 3 100 - 3 - HB3 ARG 91 - HB2 LYS 73 lone 2 61 - 4 - HB3 ARG 91 - HB3 LYS 73 lone 2 56 - 4 - HG LEU 70 - HB2 LYS 24 lone 2 100 - 2 - HG LEU 70 - HB3 LYS 24 lone 2 100 - 2 - HB3 ARG 91 - HB3 LYS 24 lone 2 84 - 2 - HB3 ARG 91 - HB2 LYS 24 lone 2 84 - 2 - HG12 ILE 15 - HB2 LYS 73 lone 2 80 - 2 - HG12 ILE 15 - HB3 LYS 73 lone 2 75 - 2 - HD3 LYS 90 - HB2 LYS 47 lone 2 55 - 3 - 3989/4.0=1 HD2 LYS 20 - HB2 LYS 73 lone 1 46 - 3 - HG LEU 70 - HB2 LYS 47 lone 1 55 - 2 - HD2 LYS 20 - HB3 LYS 73 lone 1 42 - 3 - HD3 LYS 66 - HB2 LYS 47 lone 1 52 - 2 - HG12 ILE 15 - HB2 LYS 47 lone 1 55 - 2 - HB2 LEU 2 - HB2 LYS 47 lone 1 52 - 2 - HB3 LYS 40 - HB2 LYS 47 lone 1 42 - 3 - HB3 LYS 40 - HB2 LYS 73 lone 1 63 - 2 - HG2 PRO 86 - HB2 LYS 47 lone 1 55 - 2 - HB3 LYS 40 - HB3 LYS 73 lone 1 59 - 2 - HG2 PRO 86 - HB2 LYS 73 lone 1 79 - 1 - HD2 LYS 20 - HB2 LYS 24 lone 1 65 - 1 - HD2 LYS 20 - HB3 LYS 24 lone 1 65 - 1 - HB3 LYS 53 - HB2 LYS 24 lone 1 92 - 1 - HB3 LYS 53 - HB3 LYS 24 lone 1 92 - 1 - HG2 PRO 86 - HB3 LYS 73 lone 1 74 - 1 - HB3 LYS 40 - HB2 LYS 24 lone 1 87 - 1 - HB3 LYS 40 - HB3 LYS 24 lone 1 87 - 1 - HB3 LYS 53 - HB2 LYS 47 lone 1 46 - 1 - HB3 LYS 53 - HB2 LYS 73 lone 0 68 - 0 - HB3 LYS 53 - HB3 LYS 73 lone 0 63 - 0 - Peak 1068 from cnoeabs.peaks (1.70, 1.96, 32.08 ppm; 2.83 A): 4 out of 95 assignments used, quality = 1.00: HD2 LYS 24 + HB2 LYS 24 OK 82 100 - 82 - 3.6=50, 3.0/1098=7...(39) HD2 LYS 24 + HB3 LYS 24 OK 82 100 - 82 - 3.6=50, 3.0/1098=7...(39) HD3 LYS 24 + HB3 LYS 24 OK 82 100 - 82 - 3.6=50, 3.0/1098=7...(39) * HD3 LYS 24 + HB2 LYS 24 OK 82 100 - 82 - 3.6=50, 3.0/1098=7...(39) HD3 LYS 12 - HB3 LYS 24 OK 28 99 - 29 - 1102/2.9=2, 1119=1, 1056/3.0=1 HD3 LYS 12 - HB2 LYS 24 OK 28 99 - 29 - 1102/2.9=2, 1119=1, 1056/3.0=1 HD2 LYS 12 - HB3 LYS 24 OK 28 99 - 29 - 1102/2.9=2, 1120=1, 1056/3.0=1 HD2 LYS 12 - HB2 LYS 24 OK 28 99 - 29 - 1102/2.9=2, 1120=1, 1056/3.0=1 HD3 LYS 47 - HB2 LYS 47 OK 28 36 - 77 - 3.9=37, 2195/3.0=4...(47) HD2 LYS 47 - HB2 LYS 47 OK 26 34 - 77 - 3.9=37, 2195/3.0=4...(47) HD2 LYS 13 - HB3 LYS 24 OK 26 99 - 26 - 1102/2.9=1, 1120=1, 1118/3.0=1 HD2 LYS 13 - HB2 LYS 24 OK 26 99 - 26 - 1102/2.9=1, 1120=1, 1118/3.0=1 HD3 LYS 13 - HB3 LYS 24 OK 26 98 - 26 - 1102/2.9=1, 1056/3.0=1, 1119=1 HD3 LYS 13 - HB2 LYS 24 OK 26 98 - 26 - 1102/2.9=1, 1056/3.0=1, 1120=1 HD3 LYS 24 - HB2 LYS 73 OK 23 80 - 29 - 3.0/1097=2, ~9954=2...(4) HD2 LYS 24 - HB2 LYS 73 OK 23 80 - 29 - 3.0/1097=2, ~9954=2...(4) HD3 LYS 24 - HB3 LYS 73 OK 22 75 - 29 - ~9954=2, 3.0/1098=2...(4) HD2 LYS 24 - HB3 LYS 73 OK 22 75 - 29 - ~9954=2, 3.0/1098=2...(5) HD3 LYS 47 - HB3 LYS 24 OK 20 77 - 26 - 3.0/2170=2, 1.8/2192=1...(10) HD3 LYS 47 - HB2 LYS 24 OK 20 77 - 26 - 3.0/2170=2, 1.8/2192=1...(10) HD2 LYS 47 - HB3 LYS 24 OK 19 73 - 26 - 3.0/2170=2, 1.8/2192=1...(9) HD2 LYS 47 - HB2 LYS 24 OK 19 73 - 26 - 3.0/2170=2, 1.8/2192=1...(9) HD2 LYS 13 - HB2 LYS 73 OK 16 78 - 20 - HD3 LYS 13 - HB2 LYS 73 OK 15 76 - 20 - HD3 LYS 90 - HB2 LYS 24 OK 15 100 - 15 - ~3973=1, ~3963=1...(4) HD3 LYS 90 - HB3 LYS 24 OK 15 100 - 15 - ~3973=1, ~3963=1...(4) HD2 LYS 13 - HB3 LYS 73 OK 15 73 - 20 - HD3 LYS 13 - HB3 LYS 73 OK 14 71 - 20 - HD2 LYS 13 - HB2 LYS 47 OK 14 54 - 27 - 1119=1, ~519=1, ~518=1 HD3 LYS 24 - HB2 LYS 47 OK 14 56 - 26 - 3.0/1098=1, 1108=1, 3.0/1086=1 HD2 LYS 24 - HB2 LYS 47 OK 14 55 - 26 - 3.0/1097=1, 1108=1, 3.0/1086=1 HD3 LYS 13 - HB2 LYS 47 OK 14 52 - 27 - 1119=1, ~519=1, ~518=1 HD3 LYS 47 - HB2 LYS 73 OK 11 55 - 21 - 3.0/2170=2, 1.8/2181=1 HG2 PRO 86 - HB3 LYS 24 OK 11 99 - 11 - 3831/3.0=2, ~3823=1...(4) HG2 PRO 86 - HB2 LYS 24 OK 11 99 - 11 - 3831/3.0=2, ~3823=1...(4) HD2 LYS 47 - HB2 LYS 73 OK 11 52 - 21 - 3.0/2170=2, 1.8/2192=1 HD2 LYS 12 - HB2 LYS 73 OK 11 78 - 13 - HD3 LYS 12 - HB2 LYS 73 OK 11 78 - 13 - HD3 LYS 47 - HB3 LYS 73 OK 11 51 - 21 - 3.0/2170=2 HD3 LYS 12 - HB3 LYS 73 poor 10 73 - 13 - HD2 LYS 12 - HB3 LYS 73 poor 10 73 - 13 - HD2 LYS 47 - HB3 LYS 73 poor 10 48 - 21 - 3.0/2170=2 HB3 ARG 91 - HB2 LYS 47 poor 7 38 - 20 - 3.0/1959=2, ~2150=2...(8) HB2 LEU 2 - HB2 LYS 73 lone 7 77 - 10 - 59/4.1=2, ~12297=2...(5) HD3 LYS 66 - HB2 LYS 73 lone 7 77 - 9 - 2947/2.9=1 HB2 LEU 2 - HB3 LYS 73 lone 7 72 - 9 - 59/4.1=2, ~12297=2...(5) HD3 LYS 66 - HB2 LYS 24 lone 6 99 - 6 - HD3 LYS 66 - HB3 LYS 24 lone 6 99 - 6 - HD3 LYS 66 - HB3 LYS 73 lone 6 72 - 9 - 2947/2.9=1 HB2 LEU 2 - HB3 LYS 24 lone 6 99 - 6 - HB2 LEU 2 - HB2 LYS 24 lone 6 99 - 6 - HG LEU 70 - HB2 LYS 73 lone 5 80 - 7 - 3.7/10815=4 HB3 LEU 70 - HB2 LYS 73 poor 5 42 - 12 - 3.0/10815=5, ~10815=3...(4) HG LEU 70 - HB3 LYS 73 lone 5 75 - 6 - 3.7/10815=4 HB3 LEU 70 - HB3 LYS 73 poor 5 39 - 12 - 3.0/10815=5, ~10815=3...(4) HD2 LYS 20 - HB2 LYS 47 poor 4 27 - 14 - HD3 LYS 90 - HB2 LYS 73 lone 4 80 - 4 - HD3 LYS 90 - HB3 LYS 73 lone 3 75 - 4 - HD3 LYS 12 - HB2 LYS 47 lone 3 54 - 6 - HD2 LYS 12 - HB2 LYS 47 lone 3 54 - 6 - HG12 ILE 15 - HB2 LYS 24 lone 3 100 - 3 - HG12 ILE 15 - HB3 LYS 24 lone 3 100 - 3 - HB3 ARG 91 - HB2 LYS 73 lone 2 58 - 4 - HG LEU 70 - HB3 LYS 24 lone 2 100 - 2 - HG LEU 70 - HB2 LYS 24 lone 2 100 - 2 - HB3 ARG 91 - HB3 LYS 73 lone 2 53 - 4 - HG12 ILE 15 - HB2 LYS 73 lone 2 79 - 2 - HB3 ARG 91 - HB3 LYS 24 lone 2 81 - 2 - HB3 ARG 91 - HB2 LYS 24 lone 2 81 - 2 - HG12 ILE 15 - HB3 LYS 73 lone 2 74 - 2 - HD3 LYS 90 - HB2 LYS 47 lone 2 56 - 3 - 3989/4.0=1 HB3 LEU 70 - HB3 LYS 24 lone 2 61 - 2 - HB3 LEU 70 - HB2 LYS 24 lone 2 61 - 2 - HD3 LYS 66 - HB2 LYS 47 lone 1 53 - 2 - HG LEU 70 - HB2 LYS 47 lone 1 55 - 2 - HD2 LYS 20 - HB2 LYS 73 lone 1 42 - 3 - HB2 LEU 2 - HB2 LYS 47 lone 1 53 - 2 - HG12 ILE 15 - HB2 LYS 47 lone 1 55 - 2 - HD2 LYS 20 - HB3 LYS 73 lone 1 39 - 3 - HG2 PRO 86 - HB2 LYS 47 lone 1 54 - 2 - HB3 LYS 40 - HB2 LYS 47 lone 1 40 - 3 - HB3 LYS 40 - HB2 LYS 73 lone 1 61 - 2 - HB3 LYS 40 - HB3 LYS 73 lone 1 56 - 2 - HG2 PRO 86 - HB2 LYS 73 lone 1 78 - 1 - HB3 LYS 53 - HB3 LYS 24 lone 1 90 - 1 - HB3 LYS 53 - HB2 LYS 24 lone 1 90 - 1 - HG2 PRO 86 - HB3 LYS 73 lone 1 73 - 1 - HD2 LYS 20 - HB3 LYS 24 lone 1 61 - 1 - HD2 LYS 20 - HB2 LYS 24 lone 1 61 - 1 - HB3 LYS 40 - HB3 LYS 24 lone 1 84 - 1 - HB3 LYS 40 - HB2 LYS 24 lone 1 84 - 1 - HB3 LEU 70 - HB2 LYS 47 lone 1 27 - 2 - HB3 LYS 53 - HB2 LYS 47 lone 1 44 - 1 - HB3 LYS 53 - HB2 LYS 73 lone 0 66 - 0 - HB3 LYS 53 - HB3 LYS 73 lone 0 61 - 0 - Peak 1069 from cnoeabs.peaks (2.96, 1.96, 32.08 ppm; 3.79 A): 7 out of 55 assignments used, quality = 1.00: HE2 LYS 24 + HB3 LYS 24 OK 86 100 - 86 - 4.9=45, 3.7/1098=9...(52) * HE2 LYS 24 + HB2 LYS 24 OK 86 100 - 86 - 4.9=45, 3.7/1098=9...(52) HE3 LYS 24 + HB3 LYS 24 OK 86 100 - 86 - 4.9=45, 3.7/1098=9...(52) HE3 LYS 24 + HB2 LYS 24 OK 86 100 - 86 - 4.9=45, 3.7/1098=9...(52) HE2 LYS 73 + HB2 LYS 73 OK 60 66 - 91 - 4.9=47, ~3320=7...(50) HE2 LYS 73 + HB3 LYS 73 OK 56 61 - 91 - 4.9=47, ~3320=7...(50) HE3 LYS 73 + HB2 LYS 73 OK 47 52 - 91 - 4.9=47, 3320/2.9=7...(52) HE3 LYS 73 - HB3 LYS 73 OK 44 48 - 91 - 4.9=47, 3320/2.9=7...(52) HE2 LYS 13 - HB3 LYS 24 OK 40 100 - 40 - 1103/2.9=3, 1057/3.0=2...(13) HE2 LYS 13 - HB2 LYS 24 OK 40 100 - 40 - 1103/2.9=3, 1057/3.0=2...(13) HE3 LYS 13 - HB3 LYS 24 OK 40 99 - 40 - 1103/2.9=3, 1058/3.0=2...(17) HE3 LYS 13 - HB2 LYS 24 OK 40 99 - 40 - 1103/2.9=3, 1058/3.0=2...(17) HE2 LYS 47 - HB2 LYS 47 OK 39 42 - 91 - 4.9=47, 2217/3.0=11...(48) HE3 LYS 47 - HB2 LYS 47 OK 39 42 - 91 - 4.9=47, 2217/3.0=11...(48) HE3 LYS 47 - HB3 LYS 24 OK 34 87 - 39 - ~12306=4, 3.8/2170=3...(17) HE3 LYS 47 - HB2 LYS 24 OK 34 87 - 39 - ~12306=4, 3.8/2170=3...(17) HE2 LYS 47 - HB3 LYS 24 OK 34 87 - 39 - ~12306=4, 3.8/2170=3...(17) HE2 LYS 47 - HB2 LYS 24 OK 34 87 - 39 - ~12306=4, 3.8/2170=3...(17) HE2 LYS 73 - HB2 LYS 24 OK 33 90 - 38 - 1.8/3317=2, 4.0/3273=2...(21) HE2 LYS 73 - HB3 LYS 24 OK 33 90 - 38 - 1.8/3317=2, 4.0/3273=2...(21) HE3 LYS 12 - HB2 LYS 24 OK 30 100 - 31 - ~464=3, ~434=3...(12) HE3 LYS 12 - HB3 LYS 24 OK 30 100 - 31 - ~464=3, ~434=3...(12) HE3 LYS 24 - HB2 LYS 73 OK 28 80 - 35 - 3.7/1097=3, 3.7/1087=2...(12) HE2 LYS 24 - HB2 LYS 73 OK 28 80 - 35 - 3.7/1097=3, 3.7/1087=2...(12) HE3 LYS 73 - HB3 LYS 24 OK 27 73 - 38 - 1.8/3317=2, 4.0/3273=2...(25) HE3 LYS 73 - HB2 LYS 24 OK 27 73 - 38 - 1.8/3317=2, 4.0/3273=2...(25) HE2 LYS 13 - HB2 LYS 73 OK 26 80 - 33 - 1141=1, 3235/3.0=1...(10) HE3 LYS 24 - HB3 LYS 73 OK 26 75 - 35 - 3.7/1097=3, 3.7/1087=2...(12) HE2 LYS 24 - HB3 LYS 73 OK 26 75 - 35 - 3.7/1097=3, 3.7/1087=2...(12) HE3 LYS 13 - HB2 LYS 73 OK 26 78 - 33 - 3309/2.9=1, 1142=1...(8) HE2 LYS 13 - HB3 LYS 73 OK 25 75 - 33 - 1141=1, 3235/3.0=1...(10) HE3 LYS 13 - HB3 LYS 73 OK 24 73 - 33 - 3309/2.9=1, 1130=1...(8) HE3 LYS 24 - HB2 LYS 47 OK 23 56 - 41 - 2176/3.0=2, 2154/1.8=2...(20) HE2 LYS 24 - HB2 LYS 47 OK 23 56 - 41 - 2176/3.0=2, 2154/1.8=2...(20) HE2 LYS 13 - HB2 LYS 47 OK 20 55 - 36 - 2177/3.0=2, 2154/1.8=2...(17) HE3 LYS 13 - HB2 LYS 47 OK 20 54 - 37 - 2177/3.0=2, 574/1.8=2...(18) HE3 LYS 47 - HB2 LYS 73 OK 18 63 - 28 - 3.8/2170=2, 1.8/2214=1...(9) HE2 LYS 47 - HB2 LYS 73 OK 18 63 - 28 - 3.8/2170=2, 1.8/2214=1...(9) HE3 LYS 47 - HB3 LYS 73 OK 16 59 - 28 - 3.8/2170=2, 1.8/2214=1...(10) HE2 LYS 47 - HB3 LYS 73 OK 16 59 - 28 - 3.8/2170=2, 1.8/2214=1...(10) HE3 LYS 12 - HB2 LYS 73 poor 10 79 - 12 - ~434=2, ~464=2 HE3 LYS 12 - HB3 LYS 73 poor 9 74 - 12 - ~434=2, ~464=2 HE2 LYS 73 - HB2 LYS 47 poor 9 44 - 19 - 4.0/3273=1, 3.0/3284=1...(5) HB3 PHE 45 - HB2 LYS 47 poor 7 53 - 14 - 6777/4.0=2, 4.5/6750=2...(5) HE3 LYS 73 - HB2 LYS 47 poor 7 34 - 21 - 4.0/3273=1, 3.0/3284=1...(4) HB2 ASN 51 - HB2 LYS 73 lone 3 52 - 7 - ~9134=1, 9131/3.0=1 HE3 LYS 12 - HB2 LYS 47 lone 3 55 - 6 - HB2 ASN 51 - HB3 LYS 73 lone 3 48 - 6 - ~9134=1, 9131/3.0=1 HB3 PHE 45 - HB2 LYS 24 lone 3 99 - 3 - HB3 PHE 45 - HB3 LYS 24 lone 3 99 - 3 - HB2 ASN 51 - HB3 LYS 24 lone 2 73 - 2 - HB2 ASN 51 - HB2 LYS 24 lone 2 73 - 2 - HB3 PHE 45 - HB2 LYS 73 lone 1 77 - 2 - HB3 PHE 45 - HB3 LYS 73 lone 1 72 - 2 - HB2 ASN 51 - HB2 LYS 47 lone 1 34 - 3 - Peak 1070 from cnoeabs.peaks (2.96, 1.96, 32.08 ppm; 3.79 A): 7 out of 55 assignments used, quality = 1.00: HE2 LYS 24 + HB3 LYS 24 OK 86 100 - 86 - 4.9=45, 3.7/1098=9...(52) HE2 LYS 24 + HB2 LYS 24 OK 86 100 - 86 - 4.9=45, 3.7/1098=9...(52) HE3 LYS 24 + HB3 LYS 24 OK 86 100 - 86 - 4.9=45, 3.7/1098=9...(52) * HE3 LYS 24 + HB2 LYS 24 OK 86 100 - 86 - 4.9=45, 3.7/1098=9...(52) HE2 LYS 73 + HB2 LYS 73 OK 60 66 - 91 - 4.9=47, ~3320=7...(50) HE2 LYS 73 + HB3 LYS 73 OK 56 61 - 91 - 4.9=47, ~3320=7...(50) HE3 LYS 73 + HB2 LYS 73 OK 47 52 - 91 - 4.9=47, 3320/2.9=7...(52) HE3 LYS 73 - HB3 LYS 73 OK 44 48 - 91 - 4.9=47, 3320/2.9=7...(52) HE2 LYS 13 - HB3 LYS 24 OK 40 100 - 40 - 1103/2.9=3, 1057/3.0=2...(13) HE2 LYS 13 - HB2 LYS 24 OK 40 100 - 40 - 1103/2.9=3, 1057/3.0=2...(13) HE3 LYS 13 - HB3 LYS 24 OK 40 99 - 40 - 1103/2.9=3, 1058/3.0=2...(17) HE3 LYS 13 - HB2 LYS 24 OK 40 99 - 40 - 1103/2.9=3, 1058/3.0=2...(17) HE2 LYS 47 - HB2 LYS 47 OK 39 42 - 91 - 4.9=47, 2217/3.0=11...(48) HE3 LYS 47 - HB2 LYS 47 OK 39 42 - 91 - 4.9=47, 2217/3.0=11...(48) HE3 LYS 47 - HB3 LYS 24 OK 34 87 - 39 - ~12306=4, 3.8/2170=3...(17) HE3 LYS 47 - HB2 LYS 24 OK 34 87 - 39 - ~12306=4, 3.8/2170=3...(17) HE2 LYS 47 - HB3 LYS 24 OK 34 87 - 39 - ~12306=4, 3.8/2170=3...(17) HE2 LYS 47 - HB2 LYS 24 OK 34 87 - 39 - ~12306=4, 3.8/2170=3...(17) HE2 LYS 73 - HB2 LYS 24 OK 33 90 - 38 - 1.8/3317=2, 4.0/3273=2...(21) HE2 LYS 73 - HB3 LYS 24 OK 33 90 - 38 - 1.8/3317=2, 4.0/3273=2...(21) HE3 LYS 12 - HB2 LYS 24 OK 30 100 - 31 - ~464=3, ~434=3...(12) HE3 LYS 12 - HB3 LYS 24 OK 30 100 - 31 - ~464=3, ~434=3...(12) HE3 LYS 24 - HB2 LYS 73 OK 28 80 - 35 - 3.7/1097=3, 3.7/1087=2...(12) HE2 LYS 24 - HB2 LYS 73 OK 28 80 - 35 - 3.7/1097=3, 3.7/1087=2...(12) HE3 LYS 73 - HB3 LYS 24 OK 27 73 - 38 - 1.8/3317=2, 4.0/3273=2...(25) HE3 LYS 73 - HB2 LYS 24 OK 27 73 - 38 - 1.8/3317=2, 4.0/3273=2...(25) HE2 LYS 13 - HB2 LYS 73 OK 26 80 - 33 - 1141=1, 3235/3.0=1...(10) HE3 LYS 24 - HB3 LYS 73 OK 26 75 - 35 - 3.7/1097=3, 3.7/1087=2...(12) HE2 LYS 24 - HB3 LYS 73 OK 26 75 - 35 - 3.7/1097=3, 3.7/1087=2...(12) HE3 LYS 13 - HB2 LYS 73 OK 26 78 - 33 - 3309/2.9=1, 1142=1...(8) HE2 LYS 13 - HB3 LYS 73 OK 25 75 - 33 - 1141=1, 3235/3.0=1...(10) HE3 LYS 13 - HB3 LYS 73 OK 24 73 - 33 - 3309/2.9=1, 1130=1...(8) HE3 LYS 24 - HB2 LYS 47 OK 23 56 - 41 - 2176/3.0=2, 2154/1.8=2...(20) HE2 LYS 24 - HB2 LYS 47 OK 23 56 - 41 - 2176/3.0=2, 2154/1.8=2...(20) HE2 LYS 13 - HB2 LYS 47 OK 20 55 - 36 - 2177/3.0=2, 2154/1.8=2...(17) HE3 LYS 13 - HB2 LYS 47 OK 20 54 - 37 - 2177/3.0=2, 574/1.8=2...(18) HE3 LYS 47 - HB2 LYS 73 OK 18 63 - 28 - 3.8/2170=2, 1.8/2214=1...(9) HE2 LYS 47 - HB2 LYS 73 OK 18 63 - 28 - 3.8/2170=2, 1.8/2214=1...(9) HE3 LYS 47 - HB3 LYS 73 OK 16 59 - 28 - 3.8/2170=2, 1.8/2214=1...(10) HE2 LYS 47 - HB3 LYS 73 OK 16 59 - 28 - 3.8/2170=2, 1.8/2214=1...(10) HE3 LYS 12 - HB2 LYS 73 poor 10 79 - 12 - ~434=2, ~464=2 HE3 LYS 12 - HB3 LYS 73 poor 9 74 - 12 - ~434=2, ~464=2 HE2 LYS 73 - HB2 LYS 47 poor 9 44 - 19 - 4.0/3273=1, 3.0/3284=1...(5) HB3 PHE 45 - HB2 LYS 47 poor 7 53 - 14 - 6777/4.0=2, 4.5/6750=2...(5) HE3 LYS 73 - HB2 LYS 47 poor 7 34 - 21 - 4.0/3273=1, 3.0/3284=1...(4) HB2 ASN 51 - HB2 LYS 73 lone 3 52 - 7 - ~9134=1, 9131/3.0=1 HE3 LYS 12 - HB2 LYS 47 lone 3 55 - 6 - HB2 ASN 51 - HB3 LYS 73 lone 3 48 - 6 - ~9134=1, 9131/3.0=1 HB3 PHE 45 - HB2 LYS 24 lone 3 99 - 3 - HB3 PHE 45 - HB3 LYS 24 lone 3 99 - 3 - HB2 ASN 51 - HB3 LYS 24 lone 2 73 - 2 - HB2 ASN 51 - HB2 LYS 24 lone 2 73 - 2 - HB3 PHE 45 - HB2 LYS 73 lone 1 77 - 2 - HB3 PHE 45 - HB3 LYS 73 lone 1 72 - 2 - HB2 ASN 51 - HB2 LYS 47 lone 1 34 - 3 - Peak 1071 from cnoeabs.peaks (7.71, 1.96, 32.08 ppm; 3.17 A): 2 out of 15 assignments used, quality = 0.94: H ALA 25 + HB3 LYS 24 OK 76 100 - 76 - 4.4=38, 6398/3.0=18...(19) * H ALA 25 + HB2 LYS 24 OK 76 100 - 76 - 4.4=38, 6398/3.0=18...(19) H ALA 25 - HB2 LYS 73 OK 17 80 - 21 - 6400=4, 6409/4.1=3...(8) H ALA 25 - HB3 LYS 73 OK 16 75 - 21 - 6400=4, 6409/4.1=3...(7) H LEU 64 - HB3 LYS 24 OK 12 97 - 12 - 1059/3.0=3, 1105/2.9=2...(4) H LEU 64 - HB2 LYS 24 OK 12 97 - 12 - 1059/3.0=3, 1105/2.9=2...(4) H ALA 25 - HB2 LYS 47 poor 9 56 - 16 - 6396/3.0=4, 6399=3...(6) H SER 49 - HB2 LYS 24 lone 6 77 - 7 - 4.6/6782=1, 1059/3.0=1 H SER 49 - HB3 LYS 24 lone 6 77 - 7 - 4.6/6782=1, 1059/3.0=1 H SER 49 - HB2 LYS 47 poor 4 36 - 11 - 6795/4.7=7, 9076/4.0=2 H LEU 64 - HB2 LYS 73 lone 2 74 - 2 - H LEU 64 - HB2 LYS 47 lone 1 51 - 3 - 6795/4.7=1 H LEU 64 - HB3 LYS 73 lone 1 69 - 2 - H SER 49 - HB2 LYS 73 lone 1 55 - 2 - H SER 49 - HB3 LYS 73 lone 1 51 - 2 - Peak 1072 from cnoeabs.peaks (4.41, 1.96, 32.08 ppm; 3.26 A): 4 out of 45 assignments used, quality = 0.94: HA ALA 25 + HB2 LYS 24 OK 62 100 - 62 - 10472/2.9=9, 3.0/1071=8...(21) HA ALA 25 + HB3 LYS 24 OK 62 100 - 62 - 10472/2.9=9, 3.0/1071=8...(21) HA MET 74 + HB2 LYS 73 OK 36 73 - 49 - 10859/3.0=8, 3.0/7218=6...(19) HA MET 74 + HB3 LYS 73 OK 33 68 - 49 - 10859/3.0=8, 3.0/7218=6...(19) HA MET 74 - HB2 LYS 24 OK 25 96 - 26 - 3329=2, 3329/1.8=2...(13) HA MET 74 - HB3 LYS 24 OK 25 96 - 26 - 3329=2, 3329/1.8=2...(13) HA MET 21 - HB2 LYS 24 OK 21 100 - 21 - 956/4.0=5, 957=5...(6) ! HA MET 21 - HB3 LYS 24 OK 21 100 - 21 - 956/4.0=5, 957=5...(6) HA ALA 25 - HB2 LYS 73 OK 16 80 - 20 - 1153/4.1=2, 3.0/6400=2...(11) HA ALA 25 - HB3 LYS 73 OK 15 75 - 20 - 1153/4.1=2, 3.0/6400=2...(13) HA MET 21 - HB2 LYS 73 OK 10 80 - 13 - 958=3, 958/1.8=2...(4) HA MET 21 - HB3 LYS 73 poor 9 75 - 13 - 958=3, 957/1.8=2...(4) HA ILE 76 - HB2 LYS 24 poor 9 70 - 13 - 3.0/9644=2, ~9644=1, 8595/2.9=1 HA ILE 76 - HB3 LYS 24 poor 9 70 - 13 - 3.0/9644=2, ~9644=1, 8595/2.9=1 HA GLU 48 - HB2 LYS 47 poor 9 32 - 28 - 3.0/6782=8, ~6783=5...(8) HA VAL 32 - HB3 LYS 24 lone 7 100 - 7 - 10145/2.9=1 HA VAL 32 - HB2 LYS 24 lone 7 100 - 7 - 10145/2.9=1 HA ALA 25 - HB2 LYS 47 poor 7 55 - 12 - ~6396=2, 3.0/6399=2...(5) HA HIS 106 - HB2 LYS 24 lone 6 99 - 6 - 958=1, 956/4.0=1, 957/1.8=1 HA HIS 106 - HB3 LYS 24 lone 6 99 - 6 - 958=1, 956/4.0=1, 957/1.8=1 HA GLU 48 - HB3 LYS 24 lone 6 70 - 9 - 3.0/6782=2, ~6782=1 HA GLU 48 - HB2 LYS 24 lone 6 70 - 9 - 3.0/6782=2, ~6782=1 HA VAL 32 - HB2 LYS 73 lone 5 80 - 6 - 7225/4.6=1, 1391/1.8=1 HA VAL 32 - HB3 LYS 73 lone 5 75 - 6 - 7225/4.6=1, 1391/1.8=1 HA MET 74 - HB2 LYS 47 lone 4 49 - 8 - HA ILE 76 - HB2 LYS 73 lone 4 49 - 8 - 3.0/9644=2, 3.8/9665=1, ~9644=1 HA ILE 76 - HB3 LYS 73 lone 4 45 - 8 - 3.0/9644=2, 3.8/9665=1, ~9644=1 HA HIS 106 - HB2 LYS 73 lone 3 78 - 4 - HA HIS 106 - HB3 LYS 73 lone 3 73 - 4 - HA SER 9 - HB2 LYS 47 lone 2 30 - 8 - ~10615=1, ~2145=1 HA ILE 76 - HB2 LYS 47 lone 2 32 - 7 - 6790/4.7=1 HA MET 21 - HB2 LYS 47 lone 2 56 - 4 - HA VAL 32 - HB2 LYS 47 lone 2 56 - 3 - HA GLU 48 - HB2 LYS 73 lone 2 49 - 3 - HA GLN 50 - HB3 LYS 24 lone 2 84 - 2 - HA GLN 50 - HB2 LYS 24 lone 2 84 - 2 - HA GLU 48 - HB3 LYS 73 lone 1 45 - 3 - HA GLN 50 - HB2 LYS 73 lone 1 61 - 2 - 7225/4.6=1 HA GLN 50 - HB2 LYS 47 lone 1 40 - 4 - 9096/4.7=2 HA GLN 50 - HB3 LYS 73 lone 1 56 - 2 - 7225/4.6=1 HA SER 9 - HB3 LYS 24 lone 1 65 - 2 - HA SER 9 - HB2 LYS 24 lone 1 65 - 2 - HA HIS 106 - HB2 LYS 47 lone 1 54 - 1 - HA SER 9 - HB2 LYS 73 lone 0 46 - 1 - HA SER 9 - HB3 LYS 73 lone 0 42 - 1 - Peak 1073 from cnoeabs.peaks (7.57, 1.96, 32.08 ppm; 2.96 A): 3 out of 15 assignments used, quality = 0.95: * H LYS 24 + HB3 LYS 24 OK 72 100 - 72 - 4.0=39, 3.0/1062=9...(16) H LYS 24 + HB2 LYS 24 OK 72 100 - 72 - 4.0=39, 3.0/1062=9...(16) H GLU 88 + HB2 LYS 24 OK 29 100 - 29 - 1049/3.0=6, 6397/4.4=5...(9) H GLU 88 - HB3 LYS 24 OK 29 100 - 29 - 1049/3.0=6, 6397/4.4=5...(9) H LYS 24 - HB2 LYS 73 OK 15 80 - 19 - 6383=3, 3.0/1052=2...(5) H LYS 24 - HB3 LYS 73 OK 14 75 - 19 - 6383=2, 3.0/1052=2...(5) H ILE 76 - HB3 LYS 24 OK 11 84 - 13 - 1095/2.9=1, 1049/3.0=1...(4) H ILE 76 - HB2 LYS 24 OK 11 84 - 13 - 1095/2.9=1, 1049/3.0=1...(4) H LYS 24 - HB2 LYS 47 poor 6 56 - 11 - 6377/3.0=2, 3.0/1051=2, 6384=1 H ILE 76 - HB2 LYS 73 lone 6 61 - 10 - 9643/4.6=3, 4.6/7236=1...(4) H GLU 88 - HB2 LYS 73 lone 5 80 - 7 - H ILE 76 - HB3 LYS 73 lone 5 56 - 9 - 9643/4.6=3, 4.6/7236=1...(4) H GLU 88 - HB3 LYS 73 lone 5 75 - 7 - H GLU 88 - HB2 LYS 47 lone 3 55 - 6 - H ILE 76 - HB2 LYS 47 lone 2 40 - 4 - Peak 1074 from cnoeabs.peaks (4.10, 1.96, 32.08 ppm; 2.83 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 24 + HB3 LYS 24 OK 93 100 - 93 - 3.0=83, 1096/2.9=14...(25) HA LYS 24 + HB2 LYS 24 OK 93 100 - 93 - 3.0=83, 1096/2.9=14...(25) HA LYS 24 - HB2 LYS 73 OK 19 80 - 24 - 1051=4, 1052/1.8=3...(8) HA LYS 24 - HB3 LYS 73 OK 17 75 - 23 - 1051=4, 1052/1.8=3...(8) HA PRO 86 - HB3 LYS 24 OK 12 90 - 13 - 1096/2.9=2, 6398/4.4=2...(6) HA PRO 86 - HB2 LYS 24 OK 12 90 - 13 - 1096/2.9=2, 6398/4.4=2...(6) HA LYS 24 - HB2 LYS 47 OK 10 56 - 19 - 1052=3, 12306/4.9=1...(5) HA PRO 86 - HB2 LYS 47 lone 2 44 - 4 - HA PRO 86 - HB2 LYS 73 lone 1 66 - 1 - HA PRO 86 - HB3 LYS 73 lone 1 61 - 1 - Peak 1075 from cnoeabs.peaks (1.96, 1.96, 32.08 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 LYS 24 + HB3 LYS 24 OK 100 100 - 100 HB2 LYS 24 + HB2 LYS 24 OK 100 100 - 100 HB2 LYS 73 + HB2 LYS 73 OK 77 77 - 100 HB3 LYS 73 + HB3 LYS 73 OK 71 71 - 100 HB2 LYS 47 + HB2 LYS 47 OK 52 52 - 100 Reference assignment not found: HB2 LYS 24 - HB3 LYS 24 Peak 1076 from cnoeabs.peaks (1.96, 1.96, 32.08 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 LYS 24 + HB3 LYS 24 OK 100 100 - 100 HB2 LYS 24 + HB2 LYS 24 OK 100 100 - 100 HB2 LYS 73 + HB2 LYS 73 OK 77 77 - 100 HB3 LYS 73 + HB3 LYS 73 OK 71 71 - 100 HB2 LYS 47 + HB2 LYS 47 OK 52 52 - 100 Peak 1077 from cnoeabs.peaks (1.59, 1.96, 32.08 ppm; 2.90 A): 4 out of 65 assignments used, quality = 1.00: * HG2 LYS 24 + HB3 LYS 24 OK 98 100 - 98 - 2.9=96, 1.8/1097=10...(27) HG2 LYS 24 + HB2 LYS 24 OK 98 100 - 98 - 2.9=96, 1.8/1097=10...(27) HG3 LYS 73 + HB2 LYS 73 OK 63 63 - 99 - 2.9=97, 3274/1.8=6...(39) HG3 LYS 73 + HB3 LYS 73 OK 58 59 - 99 - 2.9=97, 3274/1.8=6...(39) HG2 LYS 24 - HB2 LYS 73 OK 27 80 - 33 - 9954/3.0=4, 1087=3...(10) HG3 LYS 73 - HB3 LYS 24 OK 27 87 - 31 - 3273=3, 1099/2.9=2...(8) HG3 LYS 73 - HB2 LYS 24 OK 27 87 - 31 - 3273=3, 1099/2.9=2...(8) HG2 LYS 24 - HB3 LYS 73 OK 25 75 - 34 - 9954/3.0=4, 1087=3...(10) HG3 LYS 90 - HB2 LYS 24 OK 19 100 - 19 - 1099/2.9=2, 1053/3.0=2...(7) HG3 LYS 90 - HB3 LYS 24 OK 19 100 - 19 - 1099/2.9=2, 1053/3.0=2...(7) HG3 LYS 12 - HB3 LYS 24 OK 19 96 - 20 - 1099/2.9=2, 1053/3.0=2...(5) HG3 LYS 12 - HB2 LYS 24 OK 19 96 - 20 - 1099/2.9=2, 1053/3.0=2...(5) HD3 LYS 94 - HB2 LYS 47 OK 17 42 - 40 - 4247/3.0=5, 4243/1.8=4...(18) HG2 LYS 24 - HB2 LYS 47 OK 13 56 - 24 - 1086=2, 1.8/1097=2...(5) HG3 LYS 73 - HB2 LYS 47 poor 10 42 - 23 - 3273=2, 3275/3.0=2...(8) HG3 LYS 12 - HB2 LYS 73 poor 9 73 - 12 - 3273=1, 3232/3.0=1 HG3 LYS 12 - HB3 LYS 73 poor 8 68 - 12 - 3273=1, 3232/3.0=1 HB2 LEU 103 - HB3 LYS 24 lone 6 100 - 6 - HB2 LEU 103 - HB2 LYS 24 lone 6 100 - 6 - HD2 LYS 66 - HB3 LYS 24 lone 6 77 - 8 - HD2 LYS 66 - HB2 LYS 24 lone 6 77 - 8 - HG LEU 103 - HB2 LYS 24 lone 6 99 - 6 - HG LEU 103 - HB3 LYS 24 lone 6 99 - 6 - HD2 LYS 66 - HB2 LYS 73 lone 5 55 - 10 - HD2 LYS 66 - HB3 LYS 73 lone 5 51 - 10 - HG3 LYS 90 - HB2 LYS 73 lone 5 80 - 6 - HG LEU 27 - HB2 LYS 73 lone 5 63 - 7 - ~10850=1 HG3 LYS 90 - HB3 LYS 73 lone 4 75 - 6 - HG LEU 27 - HB2 LYS 24 lone 4 87 - 5 - 6401/4.4=2 HG LEU 27 - HB3 LYS 24 lone 4 87 - 5 - 6401/4.4=2 HG LEU 27 - HB3 LYS 73 lone 4 59 - 7 - ~10850=1 HD3 LYS 94 - HB3 LYS 24 lone 4 87 - 4 - HD3 LYS 94 - HB2 LYS 24 lone 4 87 - 4 - HB2 ARG 79 - HB2 LYS 73 lone 3 58 - 5 - HB2 ARG 79 - HB3 LYS 73 lone 3 53 - 5 - HD3 LYS 94 - HB2 LYS 73 lone 3 63 - 4 - HD3 LYS 94 - HB3 LYS 73 lone 2 59 - 4 - HG2 ARG 19 - HB2 LYS 24 lone 2 100 - 2 - HG2 ARG 19 - HB3 LYS 24 lone 2 100 - 2 - HB3 LEU 29 - HB2 LYS 24 lone 2 92 - 2 - HB3 LEU 29 - HB3 LYS 24 lone 2 92 - 2 - HG3 LYS 90 - HB2 LYS 47 lone 2 55 - 3 - HG3 LYS 12 - HB2 LYS 47 lone 2 49 - 3 - HG2 ARG 19 - HB2 LYS 73 lone 1 80 - 2 - HB3 LEU 29 - HB2 LYS 73 lone 1 68 - 2 - HG2 ARG 19 - HB3 LYS 73 lone 1 75 - 2 - HG2 ARG 19 - HB2 LYS 47 lone 1 55 - 2 - HB3 LEU 29 - HB3 LYS 73 lone 1 63 - 2 - HB2 LEU 103 - HB2 LYS 73 lone 1 80 - 1 - HB2 ARG 30 - HB2 LYS 73 lone 1 49 - 2 - HD2 LYS 66 - HB2 LYS 47 lone 1 36 - 2 - HG LEU 103 - HB2 LYS 73 lone 1 78 - 1 - HB2 LEU 103 - HB3 LYS 73 lone 1 75 - 1 - HB2 ARG 79 - HB3 LYS 24 lone 1 81 - 1 - HB2 ARG 79 - HB2 LYS 24 lone 1 81 - 1 - HB2 ARG 30 - HB3 LYS 73 lone 1 45 - 2 - HG LEU 103 - HB3 LYS 73 lone 1 73 - 1 - HB2 ARG 30 - HB2 LYS 24 lone 1 70 - 1 - HB2 ARG 30 - HB3 LYS 24 lone 1 70 - 1 - HG LEU 27 - HB2 LYS 47 lone 0 42 - 1 - HB2 LEU 103 - HB2 LYS 47 lone 0 55 - 1 - HG LEU 103 - HB2 LYS 47 lone 0 54 - 1 - HB2 ARG 30 - HB2 LYS 47 lone 0 32 - 1 - HB3 LEU 29 - HB2 LYS 47 lone 0 46 - 1 - HB2 ARG 79 - HB2 LYS 47 lone 0 38 - 0 - Peak 1078 from cnoeabs.peaks (1.51, 1.96, 32.08 ppm; 2.96 A): 4 out of 70 assignments used, quality = 1.00: * HG3 LYS 24 + HB3 LYS 24 OK 100 100 - 100 - 2.9=100 HG3 LYS 24 + HB2 LYS 24 OK 100 100 - 100 - 2.9=100 HG2 LYS 73 + HB2 LYS 73 OK 52 52 - 100 - 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 48 48 - 100 - 2.9=100 HG2 LYS 47 - HB2 LYS 47 OK 31 32 - 99 - 3.0=99 HG3 LYS 24 - HB2 LYS 73 OK 28 80 - 35 - 1098=4, ~9954=3...(11) HG3 LYS 24 - HB3 LYS 73 OK 26 75 - 35 - 1097=4, ~9954=3...(11) HG2 LYS 73 - HB3 LYS 24 OK 22 73 - 30 - 1.8/3273=2, 1054/3.0=2...(11) HG2 LYS 73 - HB2 LYS 24 OK 22 73 - 30 - 1.8/3273=2, 1054/3.0=2...(11) HG2 LYS 47 - HB3 LYS 24 OK 21 70 - 30 - 1.8/2170=4, ~2170=2...(8) HG2 LYS 47 - HB2 LYS 24 OK 21 70 - 30 - 1.8/2170=4, ~2170=2...(8) HG3 LYS 13 - HB2 LYS 24 OK 16 90 - 18 - 1089/2.9=1, 1054/3.0=1 HG3 LYS 13 - HB3 LYS 24 OK 16 90 - 18 - 1089/2.9=1, 1054/3.0=1 HG3 LYS 24 - HB2 LYS 47 OK 14 56 - 25 - 1097=3, 1.8/1087=2...(5) HG2 LYS 47 - HB2 LYS 73 OK 13 49 - 27 - 1.8/2170=3, ~2170=2...(9) HG2 LYS 47 - HB3 LYS 73 OK 12 45 - 26 - 1.8/2170=2, ~2170=2...(9) HG3 LYS 13 - HB2 LYS 47 OK 11 44 - 26 - ~518=2, ~519=2, ~520=2...(10) HB2 LEU 14 - HB2 LYS 24 OK 11 81 - 14 - 1054/3.0=2, ~8420=2...(6) HB2 LEU 14 - HB3 LYS 24 OK 11 81 - 14 - 1054/3.0=2, ~8420=2...(6) HG3 LYS 33 - HB2 LYS 24 OK 11 99 - 11 - 1096/3.0=1, 1097=1, 1099/2.9=1 HG3 LYS 33 - HB3 LYS 24 OK 11 99 - 11 - 1096/3.0=1, 1097=1, 1099/2.9=1 HG3 LYS 13 - HB2 LYS 73 poor 9 66 - 14 - HG3 LYS 13 - HB3 LYS 73 poor 9 61 - 14 - HG LEU 2 - HB3 LYS 24 lone 8 97 - 8 - HG LEU 2 - HB2 LYS 24 lone 8 97 - 8 - HG LEU 2 - HB2 LYS 73 poor 8 74 - 10 - 75/4.1=3, ~12297=2...(4) HG LEU 2 - HB3 LYS 73 lone 7 69 - 10 - 75/4.1=3, ~12297=2...(4) HG3 LYS 66 - HB3 LYS 24 lone 7 77 - 9 - HG3 LYS 66 - HB2 LYS 24 lone 7 77 - 9 - HG2 LYS 73 - HB2 LYS 47 poor 7 34 - 20 - 1.8/3273=2, 2162/3.0=2...(5) HG3 LYS 66 - HB2 LYS 73 poor 6 55 - 11 - HG2 LYS 66 - HB2 LYS 24 lone 6 70 - 8 - HG2 LYS 66 - HB3 LYS 24 lone 6 70 - 8 - HG3 LYS 66 - HB3 LYS 73 poor 6 51 - 11 - HG2 LYS 66 - HB2 LYS 73 poor 5 49 - 11 - HG2 LYS 66 - HB3 LYS 73 poor 5 45 - 11 - HB3 LEU 103 - HB2 LYS 24 lone 5 77 - 6 - HB3 LEU 103 - HB3 LYS 24 lone 5 77 - 6 - HG3 LYS 33 - HB2 LYS 47 lone 4 54 - 7 - HG LEU 57 - HB2 LYS 73 lone 3 74 - 3 - HG LEU 57 - HB3 LYS 73 lone 2 69 - 3 - HG LEU 57 - HB3 LYS 24 lone 2 97 - 2 - HG LEU 57 - HB2 LYS 24 lone 2 97 - 2 - HB3 LEU 64 - HB2 LYS 24 lone 2 65 - 4 - 2818/4.4=1 HB3 LEU 64 - HB3 LYS 24 lone 2 65 - 4 - 2818/4.4=1 HG3 LYS 33 - HB2 LYS 73 lone 2 78 - 2 - HG3 LYS 33 - HB3 LYS 73 lone 2 73 - 2 - HB3 LEU 64 - HB2 LYS 73 lone 2 46 - 3 - HG3 LYS 66 - HB2 LYS 47 lone 1 36 - 4 - HB ILE 7 - HB3 LYS 24 lone 1 81 - 2 - HB ILE 7 - HB2 LYS 24 lone 1 81 - 2 - HB3 LEU 64 - HB3 LYS 73 lone 1 42 - 3 - HG2 LYS 66 - HB2 LYS 47 lone 1 32 - 4 - HG LEU 57 - HB2 LYS 47 lone 1 51 - 2 - HG LEU 2 - HB2 LYS 47 lone 1 51 - 2 - HB2 LEU 14 - HB2 LYS 73 lone 1 58 - 2 - HB2 LEU 14 - HB3 LYS 73 lone 1 53 - 2 - HG LEU 6 - HB2 LYS 24 lone 1 70 - 1 - HG LEU 6 - HB3 LYS 24 lone 1 70 - 1 - HB3 LEU 64 - HB2 LYS 47 lone 1 30 - 3 - HB ILE 7 - HB2 LYS 73 lone 1 58 - 1 - HG LEU 6 - HB2 LYS 73 lone 1 49 - 1 - HB3 LEU 103 - HB2 LYS 73 lone 0 55 - 1 - HB ILE 7 - HB3 LYS 73 lone 0 53 - 1 - HG LEU 6 - HB3 LYS 73 lone 0 45 - 1 - HB3 LEU 103 - HB3 LYS 73 lone 0 51 - 1 - HB2 LEU 14 - HB2 LYS 47 lone 0 38 - 1 - HB ILE 7 - HB2 LYS 47 lone 0 38 - 1 - HB3 LEU 103 - HB2 LYS 47 lone 0 36 - 0 - HG LEU 6 - HB2 LYS 47 lone 0 32 - 0 - Peak 1079 from cnoeabs.peaks (1.70, 1.96, 32.08 ppm; 2.83 A): 4 out of 90 assignments used, quality = 1.00: * HD2 LYS 24 + HB3 LYS 24 OK 82 100 - 82 - 3.6=50, 3.0/1098=7...(39) HD2 LYS 24 + HB2 LYS 24 OK 82 100 - 82 - 3.6=50, 3.0/1098=7...(39) HD3 LYS 24 + HB3 LYS 24 OK 82 100 - 82 - 3.6=50, 3.0/1097=7...(39) HD3 LYS 24 + HB2 LYS 24 OK 82 100 - 82 - 3.6=50, 3.0/1097=7...(39) HD3 LYS 47 - HB2 LYS 47 OK 29 38 - 77 - 3.9=37, 2195/3.0=5...(48) HD3 LYS 12 - HB3 LYS 24 OK 28 99 - 29 - 1102/2.9=2, 1120=1, 1056/3.0=1 HD3 LYS 12 - HB2 LYS 24 OK 28 99 - 29 - 1102/2.9=2, 1120=1, 1056/3.0=1 HD2 LYS 12 - HB2 LYS 24 OK 28 99 - 29 - 1102/2.9=2, 1120=1, 1056/3.0=1 HD2 LYS 12 - HB3 LYS 24 OK 28 99 - 29 - 1102/2.9=2, 1120=1, 1056/3.0=1 HD2 LYS 47 - HB2 LYS 47 OK 28 36 - 77 - 3.9=37, 2195/3.0=5...(48) HD2 LYS 13 - HB2 LYS 24 OK 26 99 - 26 - 1102/2.9=1, 1120=1, 1118/3.0=1 HD2 LYS 13 - HB3 LYS 24 OK 26 99 - 26 - 1102/2.9=1, 1120=1, 1118/3.0=1 HD3 LYS 13 - HB3 LYS 24 OK 25 97 - 26 - 1102/2.9=1, 1056/3.0=1, 1119=1 HD3 LYS 13 - HB2 LYS 24 OK 25 97 - 26 - 1102/2.9=1, 1056/3.0=1, 1119=1 HD2 LYS 24 - HB2 LYS 73 OK 23 80 - 29 - 3.0/1097=2, ~9954=2...(4) HD3 LYS 24 - HB2 LYS 73 OK 23 80 - 29 - 3.0/1097=2, ~9954=2...(4) HD2 LYS 24 - HB3 LYS 73 OK 22 75 - 29 - ~9954=2, 3.0/1097=2...(5) HD3 LYS 24 - HB3 LYS 73 OK 22 75 - 29 - ~9954=2, 3.0/1098=2...(4) HD3 LYS 47 - HB2 LYS 24 OK 21 81 - 27 - 3.0/2170=2, 1.8/2192=1...(10) HD3 LYS 47 - HB3 LYS 24 OK 21 81 - 27 - 3.0/2170=2, 1.8/2192=1...(10) HD2 LYS 47 - HB3 LYS 24 OK 20 77 - 27 - 3.0/2170=2, 1.8/2192=1...(9) HD2 LYS 47 - HB2 LYS 24 OK 20 77 - 27 - 3.0/2170=2, 1.8/2192=1...(9) HD2 LYS 13 - HB2 LYS 73 OK 15 77 - 20 - HD3 LYS 90 - HB2 LYS 24 OK 15 100 - 15 - ~3973=1, ~3963=1...(4) HD3 LYS 90 - HB3 LYS 24 OK 15 100 - 15 - ~3973=1, ~3963=1...(4) HD3 LYS 13 - HB2 LYS 73 OK 15 74 - 20 - HD2 LYS 13 - HB3 LYS 73 OK 14 72 - 20 - HD2 LYS 24 - HB2 LYS 47 OK 14 56 - 26 - 3.0/1098=1, 1108=1, 3.0/1087=1 HD3 LYS 24 - HB2 LYS 47 OK 14 55 - 26 - 3.0/1097=1, 1108=1, 3.0/1086=1 HD2 LYS 13 - HB2 LYS 47 OK 14 53 - 27 - 1119=1, ~519=1, ~518=1 HD3 LYS 13 - HB3 LYS 73 OK 14 69 - 20 - HD3 LYS 13 - HB2 LYS 47 OK 14 51 - 27 - 1120=1, ~519=1, ~518=1 HD3 LYS 47 - HB2 LYS 73 OK 12 58 - 21 - 3.0/2170=2, 1.8/2181=1 HD2 LYS 47 - HB2 LYS 73 OK 11 55 - 21 - 3.0/2170=2, 1.8/2192=1 HD3 LYS 47 - HB3 LYS 73 OK 11 53 - 21 - 3.0/2170=2 HG2 PRO 86 - HB2 LYS 24 OK 11 100 - 11 - 3831/3.0=2, ~3823=1...(4) HG2 PRO 86 - HB3 LYS 24 OK 11 100 - 11 - 3831/3.0=2, ~3823=1...(4) HD2 LYS 47 - HB3 LYS 73 OK 11 51 - 21 - 3.0/2170=2 HD2 LYS 12 - HB2 LYS 73 OK 10 77 - 13 - HD3 LYS 12 - HB2 LYS 73 OK 10 77 - 13 - HD3 LYS 12 - HB3 LYS 73 poor 10 72 - 13 - HD2 LYS 12 - HB3 LYS 73 poor 10 72 - 13 - HB3 ARG 91 - HB2 LYS 47 poor 8 40 - 20 - 3.0/1959=2, ~2150=2...(9) HB2 LEU 2 - HB2 LYS 73 lone 7 76 - 10 - 59/4.1=2, ~12297=2...(5) HD3 LYS 66 - HB2 LYS 73 lone 7 76 - 9 - 2947/2.9=1 HD3 LYS 66 - HB2 LYS 24 lone 6 98 - 6 - HD3 LYS 66 - HB3 LYS 24 lone 6 98 - 6 - HB2 LEU 2 - HB3 LYS 73 lone 6 71 - 9 - 59/4.1=2, ~12297=2...(5) HD3 LYS 66 - HB3 LYS 73 lone 6 71 - 9 - 2947/2.9=1 HB2 LEU 2 - HB3 LYS 24 lone 6 98 - 6 - HB2 LEU 2 - HB2 LYS 24 lone 6 98 - 6 - HG LEU 70 - HB2 LYS 73 lone 5 79 - 7 - 3.7/10815=4 HG LEU 70 - HB3 LYS 73 lone 5 74 - 6 - 3.7/10815=4 HD2 LYS 20 - HB2 LYS 47 poor 4 30 - 14 - HD3 LYS 90 - HB2 LYS 73 lone 4 80 - 4 - HD3 LYS 90 - HB3 LYS 73 lone 3 75 - 4 - HD3 LYS 12 - HB2 LYS 47 lone 3 53 - 6 - HD2 LYS 12 - HB2 LYS 47 lone 3 53 - 6 - HG12 ILE 15 - HB2 LYS 24 lone 3 100 - 3 - HG12 ILE 15 - HB3 LYS 24 lone 3 100 - 3 - HB3 ARG 91 - HB2 LYS 73 lone 2 61 - 4 - HB3 ARG 91 - HB3 LYS 73 lone 2 56 - 4 - HG LEU 70 - HB2 LYS 24 lone 2 100 - 2 - HG LEU 70 - HB3 LYS 24 lone 2 100 - 2 - HB3 ARG 91 - HB3 LYS 24 lone 2 84 - 2 - HB3 ARG 91 - HB2 LYS 24 lone 2 84 - 2 - HG12 ILE 15 - HB2 LYS 73 lone 2 80 - 2 - HG12 ILE 15 - HB3 LYS 73 lone 2 75 - 2 - HD3 LYS 90 - HB2 LYS 47 lone 2 55 - 3 - 3989/4.0=1 HD2 LYS 20 - HB2 LYS 73 lone 1 46 - 3 - HG LEU 70 - HB2 LYS 47 lone 1 55 - 2 - HD2 LYS 20 - HB3 LYS 73 lone 1 42 - 3 - HD3 LYS 66 - HB2 LYS 47 lone 1 52 - 2 - HG12 ILE 15 - HB2 LYS 47 lone 1 55 - 2 - HB2 LEU 2 - HB2 LYS 47 lone 1 52 - 2 - HB3 LYS 40 - HB2 LYS 47 lone 1 42 - 3 - HB3 LYS 40 - HB2 LYS 73 lone 1 63 - 2 - HG2 PRO 86 - HB2 LYS 47 lone 1 55 - 2 - HB3 LYS 40 - HB3 LYS 73 lone 1 59 - 2 - HG2 PRO 86 - HB2 LYS 73 lone 1 79 - 1 - HD2 LYS 20 - HB2 LYS 24 lone 1 65 - 1 - HD2 LYS 20 - HB3 LYS 24 lone 1 65 - 1 - HB3 LYS 53 - HB2 LYS 24 lone 1 92 - 1 - HB3 LYS 53 - HB3 LYS 24 lone 1 92 - 1 - HG2 PRO 86 - HB3 LYS 73 lone 1 74 - 1 - HB3 LYS 40 - HB2 LYS 24 lone 1 87 - 1 - HB3 LYS 40 - HB3 LYS 24 lone 1 87 - 1 - HB3 LYS 53 - HB2 LYS 47 lone 1 46 - 1 - HB3 LYS 53 - HB2 LYS 73 lone 0 68 - 0 - HB3 LYS 53 - HB3 LYS 73 lone 0 63 - 0 - Peak 1080 from cnoeabs.peaks (1.70, 1.96, 32.08 ppm; 2.83 A): 4 out of 95 assignments used, quality = 1.00: HD2 LYS 24 + HB2 LYS 24 OK 82 100 - 82 - 3.6=50, 3.0/1098=7...(39) HD2 LYS 24 + HB3 LYS 24 OK 82 100 - 82 - 3.6=50, 3.0/1098=7...(39) * HD3 LYS 24 + HB3 LYS 24 OK 82 100 - 82 - 3.6=50, 3.0/1098=7...(39) HD3 LYS 24 + HB2 LYS 24 OK 82 100 - 82 - 3.6=50, 3.0/1098=7...(39) HD3 LYS 12 - HB3 LYS 24 OK 28 99 - 29 - 1102/2.9=2, 1119=1, 1056/3.0=1 HD3 LYS 12 - HB2 LYS 24 OK 28 99 - 29 - 1102/2.9=2, 1119=1, 1056/3.0=1 HD2 LYS 12 - HB3 LYS 24 OK 28 99 - 29 - 1102/2.9=2, 1120=1, 1056/3.0=1 HD2 LYS 12 - HB2 LYS 24 OK 28 99 - 29 - 1102/2.9=2, 1120=1, 1056/3.0=1 HD3 LYS 47 - HB2 LYS 47 OK 28 36 - 77 - 3.9=37, 2195/3.0=4...(47) HD2 LYS 47 - HB2 LYS 47 OK 26 34 - 77 - 3.9=37, 2195/3.0=4...(47) HD2 LYS 13 - HB3 LYS 24 OK 26 99 - 26 - 1102/2.9=1, 1120=1, 1118/3.0=1 HD2 LYS 13 - HB2 LYS 24 OK 26 99 - 26 - 1102/2.9=1, 1120=1, 1118/3.0=1 HD3 LYS 13 - HB3 LYS 24 OK 26 98 - 26 - 1102/2.9=1, 1056/3.0=1, 1119=1 HD3 LYS 13 - HB2 LYS 24 OK 26 98 - 26 - 1102/2.9=1, 1056/3.0=1, 1120=1 HD3 LYS 24 - HB2 LYS 73 OK 23 80 - 29 - 3.0/1097=2, ~9954=2...(4) HD2 LYS 24 - HB2 LYS 73 OK 23 80 - 29 - 3.0/1097=2, ~9954=2...(4) HD3 LYS 24 - HB3 LYS 73 OK 22 75 - 29 - ~9954=2, 3.0/1098=2...(4) HD2 LYS 24 - HB3 LYS 73 OK 22 75 - 29 - ~9954=2, 3.0/1098=2...(5) HD3 LYS 47 - HB3 LYS 24 OK 20 77 - 26 - 3.0/2170=2, 1.8/2192=1...(10) HD3 LYS 47 - HB2 LYS 24 OK 20 77 - 26 - 3.0/2170=2, 1.8/2192=1...(10) HD2 LYS 47 - HB3 LYS 24 OK 19 73 - 26 - 3.0/2170=2, 1.8/2192=1...(9) HD2 LYS 47 - HB2 LYS 24 OK 19 73 - 26 - 3.0/2170=2, 1.8/2192=1...(9) HD2 LYS 13 - HB2 LYS 73 OK 16 78 - 20 - HD3 LYS 13 - HB2 LYS 73 OK 15 76 - 20 - HD3 LYS 90 - HB2 LYS 24 OK 15 100 - 15 - ~3973=1, ~3963=1...(4) HD3 LYS 90 - HB3 LYS 24 OK 15 100 - 15 - ~3973=1, ~3963=1...(4) HD2 LYS 13 - HB3 LYS 73 OK 15 73 - 20 - HD3 LYS 13 - HB3 LYS 73 OK 14 71 - 20 - HD2 LYS 13 - HB2 LYS 47 OK 14 54 - 27 - 1119=1, ~519=1, ~518=1 HD3 LYS 24 - HB2 LYS 47 OK 14 56 - 26 - 3.0/1098=1, 1108=1, 3.0/1086=1 HD2 LYS 24 - HB2 LYS 47 OK 14 55 - 26 - 3.0/1097=1, 1108=1, 3.0/1086=1 HD3 LYS 13 - HB2 LYS 47 OK 14 52 - 27 - 1119=1, ~519=1, ~518=1 HD3 LYS 47 - HB2 LYS 73 OK 11 55 - 21 - 3.0/2170=2, 1.8/2181=1 HG2 PRO 86 - HB3 LYS 24 OK 11 99 - 11 - 3831/3.0=2, ~3823=1...(4) HG2 PRO 86 - HB2 LYS 24 OK 11 99 - 11 - 3831/3.0=2, ~3823=1...(4) HD2 LYS 47 - HB2 LYS 73 OK 11 52 - 21 - 3.0/2170=2, 1.8/2192=1 HD2 LYS 12 - HB2 LYS 73 OK 11 78 - 13 - HD3 LYS 12 - HB2 LYS 73 OK 11 78 - 13 - HD3 LYS 47 - HB3 LYS 73 OK 11 51 - 21 - 3.0/2170=2 HD3 LYS 12 - HB3 LYS 73 poor 10 73 - 13 - HD2 LYS 12 - HB3 LYS 73 poor 10 73 - 13 - HD2 LYS 47 - HB3 LYS 73 poor 10 48 - 21 - 3.0/2170=2 HB3 ARG 91 - HB2 LYS 47 poor 7 38 - 20 - 3.0/1959=2, ~2150=2...(8) HB2 LEU 2 - HB2 LYS 73 lone 7 77 - 10 - 59/4.1=2, ~12297=2...(5) HD3 LYS 66 - HB2 LYS 73 lone 7 77 - 9 - 2947/2.9=1 HB2 LEU 2 - HB3 LYS 73 lone 7 72 - 9 - 59/4.1=2, ~12297=2...(5) HD3 LYS 66 - HB2 LYS 24 lone 6 99 - 6 - HD3 LYS 66 - HB3 LYS 24 lone 6 99 - 6 - HD3 LYS 66 - HB3 LYS 73 lone 6 72 - 9 - 2947/2.9=1 HB2 LEU 2 - HB3 LYS 24 lone 6 99 - 6 - HB2 LEU 2 - HB2 LYS 24 lone 6 99 - 6 - HG LEU 70 - HB2 LYS 73 lone 5 80 - 7 - 3.7/10815=4 HB3 LEU 70 - HB2 LYS 73 poor 5 42 - 12 - 3.0/10815=5, ~10815=3...(4) HG LEU 70 - HB3 LYS 73 lone 5 75 - 6 - 3.7/10815=4 HB3 LEU 70 - HB3 LYS 73 poor 5 39 - 12 - 3.0/10815=5, ~10815=3...(4) HD2 LYS 20 - HB2 LYS 47 poor 4 27 - 14 - HD3 LYS 90 - HB2 LYS 73 lone 4 80 - 4 - HD3 LYS 90 - HB3 LYS 73 lone 3 75 - 4 - HD3 LYS 12 - HB2 LYS 47 lone 3 54 - 6 - HD2 LYS 12 - HB2 LYS 47 lone 3 54 - 6 - HG12 ILE 15 - HB2 LYS 24 lone 3 100 - 3 - HG12 ILE 15 - HB3 LYS 24 lone 3 100 - 3 - HB3 ARG 91 - HB2 LYS 73 lone 2 58 - 4 - HG LEU 70 - HB3 LYS 24 lone 2 100 - 2 - HG LEU 70 - HB2 LYS 24 lone 2 100 - 2 - HB3 ARG 91 - HB3 LYS 73 lone 2 53 - 4 - HG12 ILE 15 - HB2 LYS 73 lone 2 79 - 2 - HB3 ARG 91 - HB3 LYS 24 lone 2 81 - 2 - HB3 ARG 91 - HB2 LYS 24 lone 2 81 - 2 - HG12 ILE 15 - HB3 LYS 73 lone 2 74 - 2 - HD3 LYS 90 - HB2 LYS 47 lone 2 56 - 3 - 3989/4.0=1 HB3 LEU 70 - HB3 LYS 24 lone 2 61 - 2 - HB3 LEU 70 - HB2 LYS 24 lone 2 61 - 2 - HD3 LYS 66 - HB2 LYS 47 lone 1 53 - 2 - HG LEU 70 - HB2 LYS 47 lone 1 55 - 2 - HD2 LYS 20 - HB2 LYS 73 lone 1 42 - 3 - HB2 LEU 2 - HB2 LYS 47 lone 1 53 - 2 - HG12 ILE 15 - HB2 LYS 47 lone 1 55 - 2 - HD2 LYS 20 - HB3 LYS 73 lone 1 39 - 3 - HG2 PRO 86 - HB2 LYS 47 lone 1 54 - 2 - HB3 LYS 40 - HB2 LYS 47 lone 1 40 - 3 - HB3 LYS 40 - HB2 LYS 73 lone 1 61 - 2 - HB3 LYS 40 - HB3 LYS 73 lone 1 56 - 2 - HG2 PRO 86 - HB2 LYS 73 lone 1 78 - 1 - HB3 LYS 53 - HB3 LYS 24 lone 1 90 - 1 - HB3 LYS 53 - HB2 LYS 24 lone 1 90 - 1 - HG2 PRO 86 - HB3 LYS 73 lone 1 73 - 1 - HD2 LYS 20 - HB3 LYS 24 lone 1 61 - 1 - HD2 LYS 20 - HB2 LYS 24 lone 1 61 - 1 - HB3 LYS 40 - HB3 LYS 24 lone 1 84 - 1 - HB3 LYS 40 - HB2 LYS 24 lone 1 84 - 1 - HB3 LEU 70 - HB2 LYS 47 lone 1 27 - 2 - HB3 LYS 53 - HB2 LYS 47 lone 1 44 - 1 - HB3 LYS 53 - HB2 LYS 73 lone 0 66 - 0 - HB3 LYS 53 - HB3 LYS 73 lone 0 61 - 0 - Peak 1081 from cnoeabs.peaks (2.96, 1.96, 32.08 ppm; 3.79 A): 7 out of 55 assignments used, quality = 1.00: * HE2 LYS 24 + HB3 LYS 24 OK 86 100 - 86 - 4.9=45, 3.7/1098=9...(52) HE2 LYS 24 + HB2 LYS 24 OK 86 100 - 86 - 4.9=45, 3.7/1098=9...(52) HE3 LYS 24 + HB3 LYS 24 OK 86 100 - 86 - 4.9=45, 3.7/1098=9...(52) HE3 LYS 24 + HB2 LYS 24 OK 86 100 - 86 - 4.9=45, 3.7/1098=9...(52) HE2 LYS 73 + HB2 LYS 73 OK 60 66 - 91 - 4.9=47, ~3320=7...(50) HE2 LYS 73 + HB3 LYS 73 OK 56 61 - 91 - 4.9=47, ~3320=7...(50) HE3 LYS 73 + HB2 LYS 73 OK 47 52 - 91 - 4.9=47, 3320/2.9=7...(52) HE3 LYS 73 - HB3 LYS 73 OK 44 48 - 91 - 4.9=47, 3320/2.9=7...(52) HE2 LYS 13 - HB3 LYS 24 OK 40 100 - 40 - 1103/2.9=3, 1057/3.0=2...(13) HE2 LYS 13 - HB2 LYS 24 OK 40 100 - 40 - 1103/2.9=3, 1057/3.0=2...(13) HE3 LYS 13 - HB3 LYS 24 OK 40 99 - 40 - 1103/2.9=3, 1058/3.0=2...(17) HE3 LYS 13 - HB2 LYS 24 OK 40 99 - 40 - 1103/2.9=3, 1058/3.0=2...(17) HE2 LYS 47 - HB2 LYS 47 OK 39 42 - 91 - 4.9=47, 2217/3.0=11...(48) HE3 LYS 47 - HB2 LYS 47 OK 39 42 - 91 - 4.9=47, 2217/3.0=11...(48) HE3 LYS 47 - HB3 LYS 24 OK 34 87 - 39 - ~12306=4, 3.8/2170=3...(17) HE3 LYS 47 - HB2 LYS 24 OK 34 87 - 39 - ~12306=4, 3.8/2170=3...(17) HE2 LYS 47 - HB3 LYS 24 OK 34 87 - 39 - ~12306=4, 3.8/2170=3...(17) HE2 LYS 47 - HB2 LYS 24 OK 34 87 - 39 - ~12306=4, 3.8/2170=3...(17) HE2 LYS 73 - HB2 LYS 24 OK 33 90 - 38 - 1.8/3317=2, 4.0/3273=2...(21) HE2 LYS 73 - HB3 LYS 24 OK 33 90 - 38 - 1.8/3317=2, 4.0/3273=2...(21) HE3 LYS 12 - HB2 LYS 24 OK 30 100 - 31 - ~464=3, ~434=3...(12) HE3 LYS 12 - HB3 LYS 24 OK 30 100 - 31 - ~464=3, ~434=3...(12) HE3 LYS 24 - HB2 LYS 73 OK 28 80 - 35 - 3.7/1097=3, 3.7/1087=2...(12) HE2 LYS 24 - HB2 LYS 73 OK 28 80 - 35 - 3.7/1097=3, 3.7/1087=2...(12) HE3 LYS 73 - HB3 LYS 24 OK 27 73 - 38 - 1.8/3317=2, 4.0/3273=2...(25) HE3 LYS 73 - HB2 LYS 24 OK 27 73 - 38 - 1.8/3317=2, 4.0/3273=2...(25) HE2 LYS 13 - HB2 LYS 73 OK 26 80 - 33 - 1141=1, 3235/3.0=1...(10) HE3 LYS 24 - HB3 LYS 73 OK 26 75 - 35 - 3.7/1097=3, 3.7/1087=2...(12) HE2 LYS 24 - HB3 LYS 73 OK 26 75 - 35 - 3.7/1097=3, 3.7/1087=2...(12) HE3 LYS 13 - HB2 LYS 73 OK 26 78 - 33 - 3309/2.9=1, 1142=1...(8) HE2 LYS 13 - HB3 LYS 73 OK 25 75 - 33 - 1141=1, 3235/3.0=1...(10) HE3 LYS 13 - HB3 LYS 73 OK 24 73 - 33 - 3309/2.9=1, 1130=1...(8) HE3 LYS 24 - HB2 LYS 47 OK 23 56 - 41 - 2176/3.0=2, 2154/1.8=2...(20) HE2 LYS 24 - HB2 LYS 47 OK 23 56 - 41 - 2176/3.0=2, 2154/1.8=2...(20) HE2 LYS 13 - HB2 LYS 47 OK 20 55 - 36 - 2177/3.0=2, 2154/1.8=2...(17) HE3 LYS 13 - HB2 LYS 47 OK 20 54 - 37 - 2177/3.0=2, 574/1.8=2...(18) HE3 LYS 47 - HB2 LYS 73 OK 18 63 - 28 - 3.8/2170=2, 1.8/2214=1...(9) HE2 LYS 47 - HB2 LYS 73 OK 18 63 - 28 - 3.8/2170=2, 1.8/2214=1...(9) HE3 LYS 47 - HB3 LYS 73 OK 16 59 - 28 - 3.8/2170=2, 1.8/2214=1...(10) HE2 LYS 47 - HB3 LYS 73 OK 16 59 - 28 - 3.8/2170=2, 1.8/2214=1...(10) HE3 LYS 12 - HB2 LYS 73 poor 10 79 - 12 - ~434=2, ~464=2 HE3 LYS 12 - HB3 LYS 73 poor 9 74 - 12 - ~434=2, ~464=2 HE2 LYS 73 - HB2 LYS 47 poor 9 44 - 19 - 4.0/3273=1, 3.0/3284=1...(5) HB3 PHE 45 - HB2 LYS 47 poor 7 53 - 14 - 6777/4.0=2, 4.5/6750=2...(5) HE3 LYS 73 - HB2 LYS 47 poor 7 34 - 21 - 4.0/3273=1, 3.0/3284=1...(4) HB2 ASN 51 - HB2 LYS 73 lone 3 52 - 7 - ~9134=1, 9131/3.0=1 HE3 LYS 12 - HB2 LYS 47 lone 3 55 - 6 - HB2 ASN 51 - HB3 LYS 73 lone 3 48 - 6 - ~9134=1, 9131/3.0=1 HB3 PHE 45 - HB2 LYS 24 lone 3 99 - 3 - HB3 PHE 45 - HB3 LYS 24 lone 3 99 - 3 - HB2 ASN 51 - HB3 LYS 24 lone 2 73 - 2 - HB2 ASN 51 - HB2 LYS 24 lone 2 73 - 2 - HB3 PHE 45 - HB2 LYS 73 lone 1 77 - 2 - HB3 PHE 45 - HB3 LYS 73 lone 1 72 - 2 - HB2 ASN 51 - HB2 LYS 47 lone 1 34 - 3 - Peak 1082 from cnoeabs.peaks (2.96, 1.96, 32.08 ppm; 3.79 A): 7 out of 55 assignments used, quality = 1.00: HE2 LYS 24 + HB3 LYS 24 OK 86 100 - 86 - 4.9=45, 3.7/1098=9...(52) HE2 LYS 24 + HB2 LYS 24 OK 86 100 - 86 - 4.9=45, 3.7/1098=9...(52) * HE3 LYS 24 + HB3 LYS 24 OK 86 100 - 86 - 4.9=45, 3.7/1098=9...(52) HE3 LYS 24 + HB2 LYS 24 OK 86 100 - 86 - 4.9=45, 3.7/1098=9...(52) HE2 LYS 73 + HB2 LYS 73 OK 60 66 - 91 - 4.9=47, ~3320=7...(50) HE2 LYS 73 + HB3 LYS 73 OK 56 61 - 91 - 4.9=47, ~3320=7...(50) HE3 LYS 73 + HB2 LYS 73 OK 47 52 - 91 - 4.9=47, 3320/2.9=7...(52) HE3 LYS 73 - HB3 LYS 73 OK 44 48 - 91 - 4.9=47, 3320/2.9=7...(52) HE2 LYS 13 - HB3 LYS 24 OK 40 100 - 40 - 1103/2.9=3, 1057/3.0=2...(13) HE2 LYS 13 - HB2 LYS 24 OK 40 100 - 40 - 1103/2.9=3, 1057/3.0=2...(13) HE3 LYS 13 - HB3 LYS 24 OK 40 99 - 40 - 1103/2.9=3, 1058/3.0=2...(17) HE3 LYS 13 - HB2 LYS 24 OK 40 99 - 40 - 1103/2.9=3, 1058/3.0=2...(17) HE2 LYS 47 - HB2 LYS 47 OK 39 42 - 91 - 4.9=47, 2217/3.0=11...(48) HE3 LYS 47 - HB2 LYS 47 OK 39 42 - 91 - 4.9=47, 2217/3.0=11...(48) HE3 LYS 47 - HB3 LYS 24 OK 34 87 - 39 - ~12306=4, 3.8/2170=3...(17) HE3 LYS 47 - HB2 LYS 24 OK 34 87 - 39 - ~12306=4, 3.8/2170=3...(17) HE2 LYS 47 - HB3 LYS 24 OK 34 87 - 39 - ~12306=4, 3.8/2170=3...(17) HE2 LYS 47 - HB2 LYS 24 OK 34 87 - 39 - ~12306=4, 3.8/2170=3...(17) HE2 LYS 73 - HB2 LYS 24 OK 33 90 - 38 - 1.8/3317=2, 4.0/3273=2...(21) HE2 LYS 73 - HB3 LYS 24 OK 33 90 - 38 - 1.8/3317=2, 4.0/3273=2...(21) HE3 LYS 12 - HB2 LYS 24 OK 30 100 - 31 - ~464=3, ~434=3...(12) HE3 LYS 12 - HB3 LYS 24 OK 30 100 - 31 - ~464=3, ~434=3...(12) HE3 LYS 24 - HB2 LYS 73 OK 28 80 - 35 - 3.7/1097=3, 3.7/1087=2...(12) HE2 LYS 24 - HB2 LYS 73 OK 28 80 - 35 - 3.7/1097=3, 3.7/1087=2...(12) HE3 LYS 73 - HB3 LYS 24 OK 27 73 - 38 - 1.8/3317=2, 4.0/3273=2...(25) HE3 LYS 73 - HB2 LYS 24 OK 27 73 - 38 - 1.8/3317=2, 4.0/3273=2...(25) HE2 LYS 13 - HB2 LYS 73 OK 26 80 - 33 - 1141=1, 3235/3.0=1...(10) HE3 LYS 24 - HB3 LYS 73 OK 26 75 - 35 - 3.7/1097=3, 3.7/1087=2...(12) HE2 LYS 24 - HB3 LYS 73 OK 26 75 - 35 - 3.7/1097=3, 3.7/1087=2...(12) HE3 LYS 13 - HB2 LYS 73 OK 26 78 - 33 - 3309/2.9=1, 1142=1...(8) HE2 LYS 13 - HB3 LYS 73 OK 25 75 - 33 - 1141=1, 3235/3.0=1...(10) HE3 LYS 13 - HB3 LYS 73 OK 24 73 - 33 - 3309/2.9=1, 1130=1...(8) HE3 LYS 24 - HB2 LYS 47 OK 23 56 - 41 - 2176/3.0=2, 2154/1.8=2...(20) HE2 LYS 24 - HB2 LYS 47 OK 23 56 - 41 - 2176/3.0=2, 2154/1.8=2...(20) HE2 LYS 13 - HB2 LYS 47 OK 20 55 - 36 - 2177/3.0=2, 2154/1.8=2...(17) HE3 LYS 13 - HB2 LYS 47 OK 20 54 - 37 - 2177/3.0=2, 574/1.8=2...(18) HE3 LYS 47 - HB2 LYS 73 OK 18 63 - 28 - 3.8/2170=2, 1.8/2214=1...(9) HE2 LYS 47 - HB2 LYS 73 OK 18 63 - 28 - 3.8/2170=2, 1.8/2214=1...(9) HE3 LYS 47 - HB3 LYS 73 OK 16 59 - 28 - 3.8/2170=2, 1.8/2214=1...(10) HE2 LYS 47 - HB3 LYS 73 OK 16 59 - 28 - 3.8/2170=2, 1.8/2214=1...(10) HE3 LYS 12 - HB2 LYS 73 poor 10 79 - 12 - ~434=2, ~464=2 HE3 LYS 12 - HB3 LYS 73 poor 9 74 - 12 - ~434=2, ~464=2 HE2 LYS 73 - HB2 LYS 47 poor 9 44 - 19 - 4.0/3273=1, 3.0/3284=1...(5) HB3 PHE 45 - HB2 LYS 47 poor 7 53 - 14 - 6777/4.0=2, 4.5/6750=2...(5) HE3 LYS 73 - HB2 LYS 47 poor 7 34 - 21 - 4.0/3273=1, 3.0/3284=1...(4) HB2 ASN 51 - HB2 LYS 73 lone 3 52 - 7 - ~9134=1, 9131/3.0=1 HE3 LYS 12 - HB2 LYS 47 lone 3 55 - 6 - HB2 ASN 51 - HB3 LYS 73 lone 3 48 - 6 - ~9134=1, 9131/3.0=1 HB3 PHE 45 - HB2 LYS 24 lone 3 99 - 3 - HB3 PHE 45 - HB3 LYS 24 lone 3 99 - 3 - HB2 ASN 51 - HB3 LYS 24 lone 2 73 - 2 - HB2 ASN 51 - HB2 LYS 24 lone 2 73 - 2 - HB3 PHE 45 - HB2 LYS 73 lone 1 77 - 2 - HB3 PHE 45 - HB3 LYS 73 lone 1 72 - 2 - HB2 ASN 51 - HB2 LYS 47 lone 1 34 - 3 - Peak 1083 from cnoeabs.peaks (7.71, 1.96, 32.08 ppm; 3.17 A): 2 out of 15 assignments used, quality = 0.94: * H ALA 25 + HB3 LYS 24 OK 76 100 - 76 - 4.4=38, 6398/3.0=18...(19) H ALA 25 + HB2 LYS 24 OK 76 100 - 76 - 4.4=38, 6398/3.0=18...(19) H ALA 25 - HB2 LYS 73 OK 17 80 - 21 - 6400=4, 6409/4.1=3...(8) H ALA 25 - HB3 LYS 73 OK 16 75 - 21 - 6400=4, 6409/4.1=3...(7) H LEU 64 - HB3 LYS 24 OK 12 97 - 12 - 1059/3.0=3, 1105/2.9=2...(4) H LEU 64 - HB2 LYS 24 OK 12 97 - 12 - 1059/3.0=3, 1105/2.9=2...(4) H ALA 25 - HB2 LYS 47 poor 9 56 - 16 - 6396/3.0=4, 6399=3...(6) H SER 49 - HB2 LYS 24 lone 6 77 - 7 - 4.6/6782=1, 1059/3.0=1 H SER 49 - HB3 LYS 24 lone 6 77 - 7 - 4.6/6782=1, 1059/3.0=1 H SER 49 - HB2 LYS 47 poor 4 36 - 11 - 6795/4.7=7, 9076/4.0=2 H LEU 64 - HB2 LYS 73 lone 2 74 - 2 - H LEU 64 - HB2 LYS 47 lone 1 51 - 3 - 6795/4.7=1 H LEU 64 - HB3 LYS 73 lone 1 69 - 2 - H SER 49 - HB2 LYS 73 lone 1 55 - 2 - H SER 49 - HB3 LYS 73 lone 1 51 - 2 - Peak 1084 from cnoeabs.peaks (7.57, 1.59, 25.00 ppm; 4.25 A): 3 out of 9 assignments used, quality = 0.98: * H LYS 24 + HG2 LYS 24 OK 93 100 - 93 - 5.1=59, 1095/1.8=21...(22) H GLU 88 + HG3 LYS 90 OK 49 77 - 64 - 8603/2.8=13, 3.6/9910=12...(17) H GLU 88 + HG2 LYS 24 OK 46 100 - 46 - 1049/3.7=10, 1095/1.8=9...(14) H LYS 24 - HG3 LYS 90 OK 26 77 - 34 - 8603/2.8=5, 7411/4.9=5...(12) H ILE 76 - HG2 LYS 24 OK 17 84 - 20 - 1095/1.8=4, 9644/2.9=2...(8) H LYS 24 - HG3 LYS 12 OK 17 73 - 23 - 3.0/1053=4, 6385=2...(12) H ILE 76 - HG3 LYS 12 poor 7 55 - 13 - 9649/3.7=3, 6161/4.7=2 H GLU 88 - HG3 LYS 12 lone 6 73 - 9 - 3.6/9910=2 H ILE 76 - HG3 LYS 90 lone 4 58 - 6 - 7411/4.9=2 Peak 1085 from cnoeabs.peaks (4.10, 1.59, 25.00 ppm; 3.82 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 24 + HG2 LYS 24 OK 100 100 - 100 - 3.7=100 HA LYS 24 - HG3 LYS 90 OK 20 77 - 27 - 1053=6, 9950/4.9=6...(9) HA PRO 86 - HG2 LYS 24 OK 18 90 - 21 - 1096/1.8=5, 6382/5.1=2...(8) HA LYS 24 - HG3 LYS 12 OK 18 73 - 24 - 1053=5, 3.7/1099=3...(9) HA PRO 86 - HG3 LYS 90 OK 16 63 - 26 - 9852/4.9=9, 9885/4.0=6...(9) HA PRO 86 - HG3 LYS 12 lone 2 60 - 4 - Peak 1086 from cnoeabs.peaks (1.96, 1.59, 25.00 ppm; 3.03 A): 2 out of 33 assignments used, quality = 1.00: * HB2 LYS 24 + HG2 LYS 24 OK 100 100 - 100 - 2.9=100 HB3 LYS 24 + HG2 LYS 24 OK 100 100 - 100 - 2.9=100 HB2 LYS 73 - HG2 LYS 24 OK 32 99 - 33 - 1098/1.8=3, 3.0/9954=3...(11) HB3 LYS 73 - HG2 LYS 24 OK 32 98 - 33 - 1098/1.8=3, 3.0/9954=3...(11) HB2 LYS 47 - HG2 LYS 24 OK 25 98 - 26 - 1098/1.8=2, 1.8/4192=1...(6) HB3 LYS 24 - HG3 LYS 90 OK 16 77 - 21 - 2.9/1099=3, 3.0/1053=2...(7) HB2 LYS 24 - HG3 LYS 90 OK 16 77 - 21 - 2.9/1099=3, 3.0/1053=2...(7) HB2 LYS 24 - HG3 LYS 12 OK 16 73 - 22 - 2.9/1099=3, 3.0/1053=2...(4) HB3 LYS 24 - HG3 LYS 12 OK 16 73 - 22 - 2.9/1099=3, 3.0/1053=2...(4) HB3 ARG 46 - HG3 LYS 90 OK 13 76 - 17 - 2081/2.8=4, 2081/2.8=3...(5) HB3 MET 74 - HG2 LYS 24 OK 12 100 - 12 - 3.0/8594=1, 4.0/7220=1 HB2 ARG 46 - HG3 LYS 90 poor 9 61 - 16 - 2071/2.8=3, 2071/2.8=2...(5) HG3 GLU 88 - HG3 LYS 90 poor 9 40 - 22 - ~3888=2, ~11077=2...(13) HB2 LYS 73 - HG3 LYS 12 poor 9 70 - 12 - 3.0/3232=1 HB3 LYS 73 - HG3 LYS 12 poor 9 69 - 12 - 3.0/3232=1 HB3 ARG 46 - HG2 LYS 24 lone 6 100 - 6 - HB2 ARG 46 - HG2 LYS 24 lone 4 87 - 5 - HG3 GLU 88 - HG2 LYS 24 lone 4 61 - 7 - 4.9/1084=2, 3893/5.1=1 HB2 LYS 73 - HG3 LYS 90 lone 4 74 - 5 - HB3 LYS 73 - HG3 LYS 90 lone 4 73 - 5 - QE MET 1 - HG3 LYS 90 lone 3 55 - 5 - 8029/3.8=1 HB3 MET 74 - HG3 LYS 12 lone 3 73 - 3 - HB2 LYS 47 - HG3 LYS 12 lone 2 69 - 3 - HB2 LYS 47 - HG3 LYS 90 lone 2 73 - 3 - HB2 GLU 37 - HG2 LYS 24 lone 2 77 - 2 - HB3 ARG 46 - HG3 LYS 12 lone 2 72 - 2 - QE MET 1 - HG2 LYS 24 lone 1 81 - 2 - HB2 ARG 46 - HG3 LYS 12 lone 1 57 - 2 - HB3 MET 74 - HG3 LYS 90 lone 1 77 - 1 - QE MET 1 - HG3 LYS 12 lone 0 52 - 1 - HB2 GLU 37 - HG3 LYS 12 lone 0 49 - 1 - HB2 GLU 37 - HG3 LYS 90 lone 0 52 - 1 - HG3 GLU 88 - HG3 LYS 12 lone 0 38 - 1 - Peak 1087 from cnoeabs.peaks (1.96, 1.59, 25.00 ppm; 3.03 A): 2 out of 33 assignments used, quality = 1.00: HB2 LYS 24 + HG2 LYS 24 OK 100 100 - 100 - 2.9=100 * HB3 LYS 24 + HG2 LYS 24 OK 100 100 - 100 - 2.9=100 HB2 LYS 73 - HG2 LYS 24 OK 32 99 - 33 - 1098/1.8=3, 3.0/9954=3...(11) HB3 LYS 73 - HG2 LYS 24 OK 32 98 - 33 - 1098/1.8=3, 3.0/9954=3...(11) HB2 LYS 47 - HG2 LYS 24 OK 25 98 - 26 - 1098/1.8=2, 1.8/4192=1...(6) HB3 LYS 24 - HG3 LYS 90 OK 16 77 - 21 - 2.9/1099=3, 3.0/1053=2...(7) HB2 LYS 24 - HG3 LYS 90 OK 16 77 - 21 - 2.9/1099=3, 3.0/1053=2...(7) HB2 LYS 24 - HG3 LYS 12 OK 16 73 - 22 - 2.9/1099=3, 3.0/1053=2...(4) HB3 LYS 24 - HG3 LYS 12 OK 16 73 - 22 - 2.9/1099=3, 3.0/1053=2...(4) HB3 ARG 46 - HG3 LYS 90 OK 13 76 - 17 - 2081/2.8=4, 2081/2.8=3...(5) HB3 MET 74 - HG2 LYS 24 OK 12 100 - 12 - 3.0/8594=1, 4.0/7220=1 HB2 ARG 46 - HG3 LYS 90 poor 9 61 - 16 - 2071/2.8=3, 2071/2.8=2...(5) HG3 GLU 88 - HG3 LYS 90 poor 9 40 - 22 - ~3888=2, ~11077=2...(13) HB2 LYS 73 - HG3 LYS 12 poor 9 70 - 12 - 3.0/3232=1 HB3 LYS 73 - HG3 LYS 12 poor 9 69 - 12 - 3.0/3232=1 HB3 ARG 46 - HG2 LYS 24 lone 6 100 - 6 - HB2 ARG 46 - HG2 LYS 24 lone 4 87 - 5 - HG3 GLU 88 - HG2 LYS 24 lone 4 61 - 7 - 4.9/1084=2, 3893/5.1=1 HB2 LYS 73 - HG3 LYS 90 lone 4 74 - 5 - HB3 LYS 73 - HG3 LYS 90 lone 4 73 - 5 - QE MET 1 - HG3 LYS 90 lone 3 55 - 5 - 8029/3.8=1 HB3 MET 74 - HG3 LYS 12 lone 3 73 - 3 - HB2 LYS 47 - HG3 LYS 12 lone 2 69 - 3 - HB2 LYS 47 - HG3 LYS 90 lone 2 73 - 3 - HB2 GLU 37 - HG2 LYS 24 lone 2 77 - 2 - HB3 ARG 46 - HG3 LYS 12 lone 2 72 - 2 - QE MET 1 - HG2 LYS 24 lone 1 81 - 2 - HB2 ARG 46 - HG3 LYS 12 lone 1 57 - 2 - HB3 MET 74 - HG3 LYS 90 lone 1 77 - 1 - QE MET 1 - HG3 LYS 12 lone 0 52 - 1 - HB2 GLU 37 - HG3 LYS 12 lone 0 49 - 1 - HB2 GLU 37 - HG3 LYS 90 lone 0 52 - 1 - HG3 GLU 88 - HG3 LYS 12 lone 0 38 - 1 - Peak 1088 from cnoeabs.peaks (1.59, 1.59, 25.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 LYS 24 + HG2 LYS 24 OK 100 100 - 100 HG3 LYS 90 + HG3 LYS 90 OK 77 77 - 100 HG3 LYS 12 + HG3 LYS 12 OK 66 66 - 100 Peak 1089 from cnoeabs.peaks (1.51, 1.59, 25.00 ppm; 2.40 A): 1 out of 42 assignments used, quality = 1.00: * HG3 LYS 24 + HG2 LYS 24 OK 100 100 - 100 - 1.8=100 HG3 LYS 24 - HG3 LYS 12 OK 14 73 - 19 - 1099=4, ~420=1...(4) HG3 LYS 24 - HG3 LYS 90 OK 14 77 - 18 - 1099=4, ~3951=2, ~3961=1 HG2 LYS 73 - HG2 LYS 24 OK 13 73 - 18 - 3265=1, ~1099=1...(5) HG3 LYS 13 - HG2 LYS 24 OK 12 90 - 13 - HG2 LYS 47 - HG2 LYS 24 poor 10 70 - 14 - HG3 LYS 13 - HG3 LYS 12 poor 9 60 - 16 - 532/1.8=2, 3265=1, 4.8/6168=1 HG3 LYS 66 - HG3 LYS 12 poor 9 49 - 18 - 2925=1, 2.9/2947=1, 1.8/2925=1 HG3 LYS 33 - HG2 LYS 24 lone 9 99 - 9 - 1099=2 HG2 LYS 66 - HG3 LYS 12 poor 8 44 - 18 - 2925=1, 1.8/2925=1, 2.9/2947=1 HG3 LYS 66 - HG2 LYS 24 lone 5 77 - 7 - HG LEU 2 - HG2 LYS 24 lone 5 97 - 5 - HG2 LYS 66 - HG2 LYS 24 lone 5 70 - 7 - HG LEU 57 - HG3 LYS 90 lone 4 71 - 5 - HB3 LEU 103 - HG2 LYS 24 lone 4 77 - 5 - HG2 LYS 73 - HG3 LYS 12 lone 4 46 - 8 - HB2 LEU 14 - HG2 LYS 24 lone 3 81 - 4 - 1054/3.7=1 HG3 LYS 33 - HG3 LYS 90 lone 2 75 - 3 - HB2 LEU 14 - HG3 LYS 90 lone 2 55 - 4 - HG LEU 2 - HG3 LYS 12 lone 2 68 - 3 - HB3 LEU 103 - HG3 LYS 90 lone 2 52 - 3 - HG3 LYS 33 - HG3 LYS 12 lone 2 71 - 2 - HG2 LYS 73 - HG3 LYS 90 lone 2 49 - 3 - HG LEU 57 - HG2 LYS 24 lone 1 97 - 1 - HB3 LEU 64 - HG2 LYS 24 lone 1 65 - 2 - HB ILE 7 - HG3 LYS 90 lone 1 55 - 2 - HG3 LYS 13 - HG3 LYS 90 lone 1 63 - 2 - HG3 LYS 66 - HG3 LYS 90 lone 1 52 - 2 - HG LEU 2 - HG3 LYS 90 lone 1 71 - 1 - HG2 LYS 66 - HG3 LYS 90 lone 1 46 - 2 - HG2 LYS 47 - HG3 LYS 12 lone 1 44 - 2 - HB ILE 7 - HG2 LYS 24 lone 1 81 - 1 - HB2 LEU 14 - HG3 LYS 12 lone 1 52 - 1 - HB3 LEU 103 - HG3 LYS 12 lone 1 49 - 1 - HG2 LYS 47 - HG3 LYS 90 lone 1 46 - 1 - HB ILE 7 - HG3 LYS 12 lone 0 52 - 1 - HG LEU 6 - HG2 LYS 24 lone 0 70 - 1 - HG LEU 57 - HG3 LYS 12 lone 0 68 - 0 - HB3 LEU 64 - HG3 LYS 12 lone 0 41 - 1 - HB3 LEU 64 - HG3 LYS 90 lone 0 43 - 0 - HG LEU 6 - HG3 LYS 12 lone 0 44 - 0 - HG LEU 6 - HG3 LYS 90 lone 0 46 - 0 - Peak 1090 from cnoeabs.peaks (1.70, 1.59, 25.00 ppm; 2.49 A): 5 out of 54 assignments used, quality = 1.00: HD3 LYS 24 + HG2 LYS 24 OK 78 100 - 78 - 3.0=60, 1101/1.8=7...(18) * HD2 LYS 24 + HG2 LYS 24 OK 78 100 - 78 - 3.0=60, 1101/1.8=7...(18) HD3 LYS 90 + HG3 LYS 90 OK 60 77 - 78 - 2.9=61, 3.0/4006=8...(19) HD3 LYS 12 + HG3 LYS 12 OK 56 70 - 79 - 3.0=58, 421/1.8=7...(24) HD2 LYS 12 + HG3 LYS 12 OK 56 70 - 79 - 3.0=58, 421/1.8=7...(24) HD3 LYS 12 - HG2 LYS 24 OK 23 99 - 24 - 3.0/464=2, 1102/1.8=2...(4) HD2 LYS 12 - HG2 LYS 24 OK 23 99 - 24 - 3.0/464=2, 1102/1.8=2...(4) HD2 LYS 13 - HG2 LYS 24 OK 19 99 - 19 - 1102/1.8=2, 1121=1 HD3 LYS 90 - HG2 LYS 24 OK 18 100 - 19 - 1.8/3973=3, 2.9/3951=2...(7) HD3 LYS 13 - HG2 LYS 24 OK 18 97 - 19 - 1102/1.8=2, 1121=1 HG12 ILE 15 - HG3 LYS 90 OK 18 77 - 24 - 3975/2.9=2, 3984=2...(10) HD2 LYS 24 - HG3 LYS 12 OK 16 73 - 22 - 422/1.8=2, 3.0/1099=2, 1110=1 HD3 LYS 24 - HG3 LYS 12 OK 16 73 - 22 - 421/1.8=2, 3.0/1099=2, 1110=1 HD3 LYS 66 - HG3 LYS 12 OK 16 69 - 23 - 2947=4, 2944/3.0=2...(6) HD2 LYS 13 - HG3 LYS 12 OK 16 70 - 22 - 422/1.8=2, 1121=1...(4) HD3 LYS 13 - HG3 LYS 12 OK 15 68 - 22 - 421/1.8=2, 1121=1...(4) HD2 LYS 24 - HG3 LYS 90 OK 14 77 - 18 - 3.0/1099=2, 1110=1...(4) HD3 LYS 24 - HG3 LYS 90 OK 14 77 - 18 - 3.0/1099=2, 1110=1...(4) HD2 LYS 12 - HG3 LYS 90 OK 13 74 - 17 - 3953/1.8=1, 3975/2.9=1, 1121=1 HD3 LYS 12 - HG3 LYS 90 OK 13 74 - 17 - 3953/1.8=1, 3975/2.9=1, 1121=1 HG12 ILE 15 - HG3 LYS 12 OK 11 73 - 15 - 386/3.7=2, ~8466=2...(6) HD3 LYS 47 - HG2 LYS 24 OK 11 81 - 14 - HB3 LYS 53 - HG3 LYS 90 OK 11 65 - 16 - 2406/2.8=3, ~3949=2...(6) HD2 LYS 47 - HG2 LYS 24 OK 10 77 - 14 - HD3 LYS 90 - HG3 LYS 12 poor 10 73 - 14 - 1.8/3973=2, 3.0/4006=2...(5) HG2 PRO 86 - HG3 LYS 90 poor 9 76 - 12 - 9887/4.0=2, 3953/1.8=1 HD3 LYS 66 - HG2 LYS 24 lone 7 98 - 7 - HG2 PRO 86 - HG2 LYS 24 lone 6 100 - 6 - 3831/3.7=1 HB3 ARG 91 - HG3 LYS 90 lone 5 58 - 9 - 3.9/7436=3, 4034/4.0=1 HB2 LEU 2 - HG2 LYS 24 lone 5 98 - 5 - HD3 LYS 66 - HG3 LYS 90 lone 4 73 - 5 - HG12 ILE 15 - HG2 LYS 24 lone 4 100 - 4 - HD2 LYS 13 - HG3 LYS 90 lone 3 74 - 4 - HD3 LYS 13 - HG3 LYS 90 lone 3 71 - 4 - HB3 LYS 40 - HG3 LYS 12 lone 2 57 - 4 - HG LEU 70 - HG3 LYS 12 lone 2 72 - 3 - HB3 ARG 91 - HG2 LYS 24 lone 2 84 - 2 - HB2 LEU 2 - HG3 LYS 12 lone 2 69 - 3 - HB2 LEU 2 - HG3 LYS 90 lone 2 73 - 2 - HG LEU 70 - HG3 LYS 90 lone 1 76 - 2 - HG LEU 70 - HG2 LYS 24 lone 1 100 - 1 - HD3 LYS 47 - HG3 LYS 90 lone 1 55 - 3 - HG2 PRO 86 - HG3 LYS 12 lone 1 72 - 2 - HD2 LYS 47 - HG3 LYS 90 lone 1 52 - 3 - HB3 ARG 91 - HG3 LYS 12 lone 1 55 - 2 - HD3 LYS 47 - HG3 LYS 12 lone 1 52 - 2 - HB3 LYS 53 - HG2 LYS 24 lone 1 92 - 1 - HD2 LYS 47 - HG3 LYS 12 lone 1 49 - 2 - HB3 LYS 53 - HG3 LYS 12 lone 1 62 - 1 - HB3 LYS 40 - HG3 LYS 90 lone 1 61 - 1 - HB3 LYS 40 - HG2 LYS 24 lone 1 87 - 1 - HD2 LYS 20 - HG2 LYS 24 lone 1 65 - 1 - HD2 LYS 20 - HG3 LYS 90 lone 1 43 - 1 - HD2 LYS 20 - HG3 LYS 12 lone 0 41 - 1 - Peak 1091 from cnoeabs.peaks (1.70, 1.59, 25.00 ppm; 2.49 A): 5 out of 57 assignments used, quality = 1.00: * HD3 LYS 24 + HG2 LYS 24 OK 78 100 - 78 - 3.0=60, 1101/1.8=7...(18) HD2 LYS 24 + HG2 LYS 24 OK 78 100 - 78 - 3.0=60, 1101/1.8=7...(18) HD3 LYS 90 + HG3 LYS 90 OK 60 77 - 78 - 2.9=61, 3.0/4006=8...(19) HD3 LYS 12 + HG3 LYS 12 OK 57 71 - 79 - 3.0=58, 421/1.8=7...(24) HD2 LYS 12 + HG3 LYS 12 OK 57 71 - 79 - 3.0=58, 421/1.8=7...(24) HD3 LYS 12 - HG2 LYS 24 OK 23 99 - 24 - 3.0/464=2, 1102/1.8=2...(4) HD2 LYS 12 - HG2 LYS 24 OK 23 99 - 24 - 3.0/464=2, 1102/1.8=2...(4) HD2 LYS 13 - HG2 LYS 24 OK 19 99 - 19 - 1102/1.8=2, 1121=1 HD3 LYS 90 - HG2 LYS 24 OK 19 100 - 19 - 1.8/3973=3, 2.9/3951=2...(7) HD3 LYS 13 - HG2 LYS 24 OK 18 98 - 19 - 1102/1.8=2, 1121=1 HG12 ILE 15 - HG3 LYS 90 OK 18 76 - 24 - 3975/2.9=2, 3984=2...(10) HD3 LYS 66 - HG3 LYS 12 OK 16 70 - 23 - 2947=4, 2944/3.0=2...(6) HD2 LYS 13 - HG3 LYS 12 OK 16 71 - 22 - 421/1.8=2, 1121=1...(4) HD2 LYS 24 - HG3 LYS 12 OK 16 73 - 22 - 421/1.8=2, 3.0/1099=2, 1110=1 HD3 LYS 24 - HG3 LYS 12 OK 16 73 - 22 - 422/1.8=2, 3.0/1099=2, 1110=1 HD3 LYS 13 - HG3 LYS 12 OK 15 69 - 22 - 421/1.8=2, 1121=1...(4) HD3 LYS 24 - HG3 LYS 90 OK 14 77 - 18 - 3.0/1099=2, 1110=1...(4) HD2 LYS 24 - HG3 LYS 90 OK 14 77 - 18 - 3.0/1099=2, 1110=1...(4) HD3 LYS 12 - HG3 LYS 90 OK 13 75 - 17 - 3953/1.8=1, 3975/2.9=1, 1121=1 HD2 LYS 12 - HG3 LYS 90 OK 13 75 - 17 - 3953/1.8=1, 3975/2.9=1, 1121=1 HG12 ILE 15 - HG3 LYS 12 OK 11 72 - 15 - 387/3.7=2, ~8466=2...(6) HD3 LYS 47 - HG2 LYS 24 OK 10 77 - 13 - HB3 LYS 53 - HG3 LYS 90 OK 10 63 - 16 - 2406/2.8=3, ~3949=2...(6) HD3 LYS 90 - HG3 LYS 12 OK 10 73 - 14 - 1.8/3973=2, 3.0/4006=2...(5) HD2 LYS 47 - HG2 LYS 24 poor 10 73 - 13 - HG2 PRO 86 - HG3 LYS 90 poor 9 75 - 12 - 9887/4.0=2, 3953/1.8=1 HD3 LYS 66 - HG2 LYS 24 lone 7 99 - 7 - HG2 PRO 86 - HG2 LYS 24 lone 6 99 - 6 - 3831/3.7=1 HB3 ARG 91 - HG3 LYS 90 lone 5 55 - 9 - 3.9/7436=3, 4034/4.0=1 HB2 LEU 2 - HG2 LYS 24 lone 5 99 - 5 - HD3 LYS 66 - HG3 LYS 90 lone 4 74 - 5 - HG12 ILE 15 - HG2 LYS 24 lone 4 100 - 4 - HD2 LYS 13 - HG3 LYS 90 lone 3 75 - 4 - HD3 LYS 13 - HG3 LYS 90 lone 3 73 - 4 - HB3 LYS 40 - HG3 LYS 12 lone 2 55 - 4 - HG LEU 70 - HG3 LYS 12 lone 2 73 - 3 - HB3 ARG 91 - HG2 LYS 24 lone 2 81 - 2 - HB2 LEU 2 - HG3 LYS 12 lone 2 70 - 3 - HB2 LEU 2 - HG3 LYS 90 lone 2 74 - 2 - HG LEU 70 - HG3 LYS 90 lone 2 77 - 2 - HG LEU 70 - HG2 LYS 24 lone 1 100 - 1 - HD3 LYS 47 - HG3 LYS 90 lone 1 52 - 3 - HG2 PRO 86 - HG3 LYS 12 lone 1 71 - 2 - HD2 LYS 47 - HG3 LYS 90 lone 1 49 - 2 - HB3 ARG 91 - HG3 LYS 12 lone 1 52 - 2 - HD3 LYS 47 - HG3 LYS 12 lone 1 49 - 2 - HB3 LYS 53 - HG2 LYS 24 lone 1 90 - 1 - HD2 LYS 47 - HG3 LYS 12 lone 1 46 - 2 - HB3 LEU 70 - HG2 LYS 24 lone 1 61 - 1 - HB3 LEU 70 - HG3 LYS 12 lone 1 38 - 2 - HB3 LYS 53 - HG3 LYS 12 lone 1 60 - 1 - HB3 LYS 40 - HG3 LYS 90 lone 1 58 - 1 - HB3 LYS 40 - HG2 LYS 24 lone 0 84 - 1 - HB3 LEU 70 - HG3 LYS 90 lone 0 40 - 1 - HD2 LYS 20 - HG2 LYS 24 lone 0 61 - 1 - HD2 LYS 20 - HG3 LYS 90 lone 0 40 - 1 - HD2 LYS 20 - HG3 LYS 12 lone 0 38 - 1 - Peak 1092 from cnoeabs.peaks (2.96, 1.59, 25.00 ppm; 3.56 A): 3 out of 33 assignments used, quality = 1.00: * HE2 LYS 24 + HG2 LYS 24 OK 96 100 - 96 - 3.7=88, 1103/1.8=8...(45) HE3 LYS 24 + HG2 LYS 24 OK 96 100 - 96 - 3.7=88, 1103/1.8=8...(45) HE3 LYS 12 + HG3 LYS 12 OK 67 72 - 92 - 4.0=73, ~423=14...(28) HE2 LYS 13 - HG2 LYS 24 OK 35 100 - 36 - 1103/1.8=3, 1143=2...(13) HE3 LYS 13 - HG2 LYS 24 OK 35 99 - 35 - 1104/1.8=3, 1143=2...(13) HE3 LYS 12 - HG2 LYS 24 OK 31 100 - 31 - 1.8/464=6, 1103/1.8=3...(12) HE2 LYS 13 - HG3 LYS 12 OK 29 73 - 40 - 424/1.8=4, ~424=3...(17) HE3 LYS 13 - HG3 LYS 12 OK 28 71 - 40 - 424/1.8=4, ~424=3...(18) HE2 LYS 73 - HG2 LYS 24 OK 27 90 - 31 - 1.8/3320=3, 1103/1.8=2...(12) HE3 LYS 24 - HG3 LYS 12 OK 27 73 - 38 - 424/1.8=4, ~424=3...(16) HE2 LYS 24 - HG3 LYS 12 OK 27 73 - 38 - 424/1.8=4, ~424=3...(16) HE3 LYS 73 - HG2 LYS 24 OK 23 73 - 31 - 1.8/3320=2, 1103/1.8=2...(11) HE3 LYS 47 - HG2 LYS 24 OK 22 87 - 26 - 1103/1.8=2, 12306/3.7=2...(9) HE2 LYS 47 - HG2 LYS 24 OK 22 87 - 26 - 1103/1.8=2, 12306/3.7=2...(9) HE3 LYS 12 - HG3 LYS 90 OK 11 76 - 15 - 1.8/464=2, ~3953=1...(4) HE2 LYS 24 - HG3 LYS 90 poor 10 77 - 13 - 3.7/1099=3, ~3953=1...(4) HE3 LYS 24 - HG3 LYS 90 poor 10 77 - 13 - 3.7/1099=3, ~3953=1...(4) HE2 LYS 73 - HG3 LYS 90 poor 7 63 - 11 - ~3955=2, 1.8/3320=1...(5) HE2 LYS 73 - HG3 LYS 12 poor 6 60 - 11 - 1.8/3320=1 HE3 LYS 73 - HG3 LYS 90 poor 5 49 - 11 - ~3955=2, 1.8/3320=1...(4) HE3 LYS 73 - HG3 LYS 12 poor 5 46 - 11 - HE3 LYS 47 - HG3 LYS 12 lone 4 57 - 7 - HE2 LYS 47 - HG3 LYS 12 lone 4 57 - 7 - HE2 LYS 13 - HG3 LYS 90 lone 3 77 - 3 - HE3 LYS 13 - HG3 LYS 90 lone 3 75 - 3 - HE2 LYS 47 - HG3 LYS 90 lone 2 61 - 3 - HE3 LYS 47 - HG3 LYS 90 lone 2 61 - 3 - HB3 PHE 45 - HG2 LYS 24 lone 2 99 - 2 - HB3 PHE 45 - HG3 LYS 12 lone 2 70 - 2 - HB2 ASN 51 - HG2 LYS 24 lone 1 73 - 2 - HB3 PHE 45 - HG3 LYS 90 lone 1 74 - 1 - HB2 ASN 51 - HG3 LYS 90 lone 1 49 - 1 - HB2 ASN 51 - HG3 LYS 12 lone 0 46 - 1 - Peak 1093 from cnoeabs.peaks (2.96, 1.59, 25.00 ppm; 3.56 A): 3 out of 33 assignments used, quality = 1.00: HE2 LYS 24 + HG2 LYS 24 OK 96 100 - 96 - 3.7=88, 1103/1.8=8...(45) * HE3 LYS 24 + HG2 LYS 24 OK 96 100 - 96 - 3.7=88, 1103/1.8=8...(45) HE3 LYS 12 + HG3 LYS 12 OK 67 72 - 92 - 4.0=73, ~423=14...(28) HE2 LYS 13 - HG2 LYS 24 OK 35 100 - 36 - 1103/1.8=3, 1143=2...(13) HE3 LYS 13 - HG2 LYS 24 OK 35 99 - 35 - 1104/1.8=3, 1143=2...(13) HE3 LYS 12 - HG2 LYS 24 OK 31 100 - 31 - 1.8/464=6, 1103/1.8=3...(12) HE2 LYS 13 - HG3 LYS 12 OK 29 73 - 40 - 424/1.8=4, ~424=3...(17) HE3 LYS 13 - HG3 LYS 12 OK 28 71 - 40 - 424/1.8=4, ~424=3...(18) HE2 LYS 73 - HG2 LYS 24 OK 27 90 - 31 - 1.8/3320=3, 1103/1.8=2...(12) HE3 LYS 24 - HG3 LYS 12 OK 27 73 - 38 - 424/1.8=4, ~424=3...(16) HE2 LYS 24 - HG3 LYS 12 OK 27 73 - 38 - 424/1.8=4, ~424=3...(16) HE3 LYS 73 - HG2 LYS 24 OK 23 73 - 31 - 1.8/3320=2, 1103/1.8=2...(11) HE3 LYS 47 - HG2 LYS 24 OK 22 87 - 26 - 1103/1.8=2, 12306/3.7=2...(9) HE2 LYS 47 - HG2 LYS 24 OK 22 87 - 26 - 1103/1.8=2, 12306/3.7=2...(9) HE3 LYS 12 - HG3 LYS 90 OK 11 76 - 15 - 1.8/464=2, ~3953=1...(4) HE2 LYS 24 - HG3 LYS 90 poor 10 77 - 13 - 3.7/1099=3, ~3953=1...(4) HE3 LYS 24 - HG3 LYS 90 poor 10 77 - 13 - 3.7/1099=3, ~3953=1...(4) HE2 LYS 73 - HG3 LYS 90 poor 7 63 - 11 - ~3955=2, 1.8/3320=1...(5) HE2 LYS 73 - HG3 LYS 12 poor 6 60 - 11 - 1.8/3320=1 HE3 LYS 73 - HG3 LYS 90 poor 5 49 - 11 - ~3955=2, 1.8/3320=1...(4) HE3 LYS 73 - HG3 LYS 12 poor 5 46 - 11 - HE3 LYS 47 - HG3 LYS 12 lone 4 57 - 7 - HE2 LYS 47 - HG3 LYS 12 lone 4 57 - 7 - HE2 LYS 13 - HG3 LYS 90 lone 3 77 - 3 - HE3 LYS 13 - HG3 LYS 90 lone 3 75 - 3 - HE2 LYS 47 - HG3 LYS 90 lone 2 61 - 3 - HE3 LYS 47 - HG3 LYS 90 lone 2 61 - 3 - HB3 PHE 45 - HG2 LYS 24 lone 2 99 - 2 - HB3 PHE 45 - HG3 LYS 12 lone 2 70 - 2 - HB2 ASN 51 - HG2 LYS 24 lone 1 73 - 2 - HB3 PHE 45 - HG3 LYS 90 lone 1 74 - 1 - HB2 ASN 51 - HG3 LYS 90 lone 1 49 - 1 - HB2 ASN 51 - HG3 LYS 12 lone 0 46 - 1 - Peak 1094 from cnoeabs.peaks (7.71, 1.59, 25.00 ppm; 4.88 A): 5 out of 9 assignments used, quality = 0.94: * H ALA 25 + HG2 LYS 24 OK 88 100 - 88 - 6398/3.7=32, 1105/1.8=23...(18) H LEU 64 + HG2 LYS 24 OK 26 97 - 27 - 1105/1.8=7, 1059/3.7=6...(8) H ALA 25 + HG3 LYS 90 OK 17 77 - 22 - 3.6/1053=4, 6401=3...(8) H ALA 25 + HG3 LYS 12 OK 15 73 - 21 - 3.6/1085=4, 6401=3...(9) H SER 49 + HG2 LYS 24 OK 11 77 - 14 - 1105/1.8=3, 1059/3.7=2...(8) H SER 49 - HG3 LYS 12 lone 5 49 - 9 - 6805/3.7=2, 6806/4.7=2 H LEU 64 - HG3 LYS 12 lone 3 68 - 5 - H LEU 64 - HG3 LYS 90 lone 2 71 - 3 - H SER 49 - HG3 LYS 90 lone 1 52 - 2 - Peak 1095 from cnoeabs.peaks (7.57, 1.51, 25.00 ppm; 4.29 A): 2 out of 6 assignments used, quality = 0.95: * H LYS 24 + HG3 LYS 24 OK 92 100 - 92 - 5.1=60, 3.0/1096=30...(20) H GLU 88 + HG3 LYS 24 OK 40 100 - 40 - 1049/3.7=10, 1084/1.8=7...(13) H ILE 76 - HG3 LYS 24 OK 16 84 - 19 - 1084/1.8=3, 3.0/8595=2...(7) H LYS 24 - HG3 LYS 33 poor 10 90 - 11 - 3.0/1096=3, 6386=2...(4) H GLU 88 - HG3 LYS 33 lone 3 89 - 3 - H ILE 76 - HG3 LYS 33 lone 2 69 - 3 - Peak 1096 from cnoeabs.peaks (4.10, 1.51, 25.00 ppm; 3.46 A): 1 out of 4 assignments used, quality = 0.95: * HA LYS 24 + HG3 LYS 24 OK 95 100 - 95 - 3.7=83, 1053/1.8=16...(26) HA PRO 86 - HG3 LYS 24 OK 16 90 - 18 - 1085/1.8=3, 6382/5.1=2...(7) HA LYS 24 - HG3 LYS 33 lone 9 90 - 9 - 1054=2, 3.7/1099=1...(4) HA PRO 86 - HG3 LYS 33 lone 3 75 - 4 - ~10958=1 Peak 1097 from cnoeabs.peaks (1.96, 1.51, 25.00 ppm; 2.82 A): 2 out of 22 assignments used, quality = 1.00: * HB2 LYS 24 + HG3 LYS 24 OK 95 100 - 95 - 2.9=88, 3.0/1096=13...(24) HB3 LYS 24 + HG3 LYS 24 OK 95 100 - 95 - 2.9=88, 3.0/1096=13...(24) HB2 LYS 73 - HG3 LYS 24 OK 29 99 - 29 - ~9954=3, 2.9/1099=2...(10) HB3 LYS 73 - HG3 LYS 24 OK 28 98 - 29 - ~9954=3, 2.9/1099=2...(10) HB2 LYS 47 - HG3 LYS 24 OK 21 98 - 21 - 1087/1.8=2, 1052/3.7=1 HB3 MET 74 - HG3 LYS 24 lone 9 100 - 9 - HB2 LYS 24 - HG3 LYS 33 lone 8 90 - 9 - 3.0/1096=1, 2.9/1099=1 HB3 LYS 24 - HG3 LYS 33 lone 8 90 - 9 - 3.0/1096=1, 2.9/1099=1 HB2 LYS 47 - HG3 LYS 33 lone 6 85 - 7 - HB3 ARG 46 - HG3 LYS 24 lone 5 100 - 5 - HB2 GLU 37 - HG3 LYS 33 lone 4 63 - 6 - 8808/4.9=4, 8819/4.9=2 HG3 GLU 88 - HG3 LYS 24 lone 4 61 - 6 - 4.9/1095=2 HB2 ARG 46 - HG3 LYS 24 lone 3 87 - 4 - QE MET 1 - HG3 LYS 24 lone 2 81 - 2 - HB2 GLU 37 - HG3 LYS 24 lone 1 77 - 2 - HB2 LYS 73 - HG3 LYS 33 lone 1 87 - 2 - HB3 LYS 73 - HG3 LYS 33 lone 1 85 - 2 - HB3 MET 74 - HG3 LYS 33 lone 1 90 - 1 - HB3 ARG 46 - HG3 LYS 33 lone 1 88 - 1 - HB2 ARG 46 - HG3 LYS 33 lone 1 72 - 1 - QE MET 1 - HG3 LYS 33 lone 0 66 - 1 - HG3 GLU 88 - HG3 LYS 33 lone 0 49 - 1 - Peak 1098 from cnoeabs.peaks (1.96, 1.51, 25.00 ppm; 2.82 A): 2 out of 22 assignments used, quality = 1.00: HB2 LYS 24 + HG3 LYS 24 OK 95 100 - 95 - 2.9=88, 3.0/1096=13...(24) * HB3 LYS 24 + HG3 LYS 24 OK 95 100 - 95 - 2.9=88, 3.0/1096=13...(24) HB2 LYS 73 - HG3 LYS 24 OK 29 99 - 29 - ~9954=3, 2.9/1099=2...(10) HB3 LYS 73 - HG3 LYS 24 OK 28 98 - 29 - ~9954=3, 2.9/1099=2...(10) HB2 LYS 47 - HG3 LYS 24 OK 21 98 - 21 - 1087/1.8=2, 1052/3.7=1 HB3 MET 74 - HG3 LYS 24 lone 9 100 - 9 - HB2 LYS 24 - HG3 LYS 33 lone 8 90 - 9 - 3.0/1096=1, 2.9/1099=1 HB3 LYS 24 - HG3 LYS 33 lone 8 90 - 9 - 3.0/1096=1, 2.9/1099=1 HB2 LYS 47 - HG3 LYS 33 lone 6 85 - 7 - HB3 ARG 46 - HG3 LYS 24 lone 5 100 - 5 - HB2 GLU 37 - HG3 LYS 33 lone 4 63 - 6 - 8808/4.9=4, 8819/4.9=2 HG3 GLU 88 - HG3 LYS 24 lone 4 61 - 6 - 4.9/1095=2 HB2 ARG 46 - HG3 LYS 24 lone 3 87 - 4 - QE MET 1 - HG3 LYS 24 lone 2 81 - 2 - HB2 GLU 37 - HG3 LYS 24 lone 1 77 - 2 - HB2 LYS 73 - HG3 LYS 33 lone 1 87 - 2 - HB3 LYS 73 - HG3 LYS 33 lone 1 85 - 2 - HB3 MET 74 - HG3 LYS 33 lone 1 90 - 1 - HB3 ARG 46 - HG3 LYS 33 lone 1 88 - 1 - HB2 ARG 46 - HG3 LYS 33 lone 1 72 - 1 - QE MET 1 - HG3 LYS 33 lone 0 66 - 1 - HG3 GLU 88 - HG3 LYS 33 lone 0 49 - 1 - Peak 1099 from cnoeabs.peaks (1.59, 1.51, 25.00 ppm; 2.40 A): 1 out of 26 assignments used, quality = 1.00: * HG2 LYS 24 + HG3 LYS 24 OK 100 100 - 100 - 1.8=100 HG3 LYS 12 - HG3 LYS 24 OK 16 96 - 17 - 1089=3, ~420=1...(4) HG3 LYS 90 - HG3 LYS 24 OK 16 100 - 17 - 1089=3, ~3951=2, ~3961=1 HG3 LYS 73 - HG3 LYS 24 OK 16 87 - 18 - 2.9/1097=1, 2.9/1097=1...(4) HG2 LYS 24 - HG3 LYS 33 lone 8 90 - 9 - 1089=2 HB2 LEU 103 - HG3 LYS 24 lone 6 100 - 5 - HG LEU 103 - HG3 LYS 24 lone 5 99 - 4 - HD2 LYS 66 - HG3 LYS 24 lone 4 77 - 6 - HG3 LYS 90 - HG3 LYS 33 lone 3 89 - 3 - HG3 LYS 12 - HG3 LYS 33 lone 2 82 - 2 - HD3 LYS 94 - HG3 LYS 24 lone 2 87 - 2 - HG LEU 27 - HG3 LYS 24 lone 2 87 - 2 - HG2 ARG 19 - HG3 LYS 24 lone 1 100 - 1 - HD3 LYS 94 - HG3 LYS 33 lone 1 72 - 2 - HB3 LEU 29 - HG3 LYS 24 lone 1 92 - 1 - HB3 LEU 29 - HG3 LYS 33 lone 1 78 - 1 - HG3 LYS 73 - HG3 LYS 33 lone 1 72 - 1 - HG2 ARG 19 - HG3 LYS 33 lone 1 89 - 1 - HB2 ARG 79 - HG3 LYS 33 lone 1 66 - 1 - HB2 LEU 103 - HG3 LYS 33 lone 1 89 - 1 - HB2 ARG 79 - HG3 LYS 24 lone 0 81 - 1 - HG LEU 103 - HG3 LYS 33 lone 0 88 - 0 - HD2 LYS 66 - HG3 LYS 33 lone 0 63 - 1 - HB2 ARG 30 - HG3 LYS 24 lone 0 70 - 1 - HG LEU 27 - HG3 LYS 33 lone 0 72 - 0 - HB2 ARG 30 - HG3 LYS 33 lone 0 56 - 0 - Peak 1100 from cnoeabs.peaks (1.51, 1.51, 25.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 24 + HG3 LYS 24 OK 100 100 - 100 HG3 LYS 33 + HG3 LYS 33 OK 88 88 - 100 Peak 1101 from cnoeabs.peaks (1.70, 1.51, 25.00 ppm; 2.44 A): 2 out of 36 assignments used, quality = 0.94: HD3 LYS 24 + HG3 LYS 24 OK 76 100 - 76 - 3.0=57, 4.9/1096=4...(18) * HD2 LYS 24 + HG3 LYS 24 OK 76 100 - 76 - 3.0=57, 4.9/1096=4...(18) HD3 LYS 12 - HG3 LYS 24 OK 20 99 - 21 - 3.0/1099=2, 1122=1, ~464=1 HD2 LYS 12 - HG3 LYS 24 OK 20 99 - 21 - 3.0/1099=2, 1122=1, ~464=1 HD2 LYS 13 - HG3 LYS 24 OK 18 99 - 19 - 1111=1, 3.0/522=1...(4) HD3 LYS 13 - HG3 LYS 24 OK 18 97 - 18 - 1122=1, 3.0/522=1...(4) HD3 LYS 90 - HG3 LYS 24 OK 13 100 - 13 - 2.9/1099=2, ~3973=2...(4) HD3 LYS 47 - HG3 LYS 24 poor 10 81 - 12 - HD2 LYS 47 - HG3 LYS 24 poor 9 77 - 12 - HD2 LYS 13 - HG3 LYS 33 lone 8 87 - 9 - 3.0/522=1 HD3 LYS 13 - HG3 LYS 33 lone 8 84 - 9 - 3.0/522=1 HB2 LEU 2 - HG3 LYS 24 lone 6 98 - 6 - HG2 PRO 86 - HG3 LYS 24 lone 6 100 - 6 - 3.8/1096=1, 3831/3.7=1 HD3 LYS 66 - HG3 LYS 24 lone 5 98 - 5 - HD3 LYS 24 - HG3 LYS 33 lone 5 89 - 6 - HD2 LYS 24 - HG3 LYS 33 lone 5 90 - 6 - HG12 ILE 15 - HG3 LYS 33 lone 4 89 - 4 - HD2 LYS 12 - HG3 LYS 33 lone 4 87 - 4 - HD3 LYS 12 - HG3 LYS 33 lone 4 87 - 4 - HG12 ILE 15 - HG3 LYS 24 lone 2 100 - 2 - HD3 LYS 90 - HG3 LYS 33 lone 2 89 - 2 - HD3 LYS 47 - HG3 LYS 33 lone 2 66 - 2 - HD2 LYS 47 - HG3 LYS 33 lone 1 63 - 2 - HG LEU 70 - HG3 LYS 24 lone 1 100 - 1 - HB2 LEU 2 - HG3 LYS 33 lone 1 85 - 2 - HG2 PRO 86 - HG3 LYS 33 lone 1 88 - 1 - HB3 LYS 53 - HG3 LYS 33 lone 1 78 - 1 - HG LEU 70 - HG3 LYS 33 lone 1 88 - 1 - HB3 ARG 91 - HG3 LYS 24 lone 1 84 - 1 - HB3 LYS 53 - HG3 LYS 24 lone 1 92 - 1 - HD3 LYS 66 - HG3 LYS 33 lone 1 85 - 1 - HB3 LYS 40 - HG3 LYS 33 lone 0 72 - 1 - HB3 LYS 40 - HG3 LYS 24 lone 0 87 - 0 - HD2 LYS 20 - HG3 LYS 24 lone 0 65 - 1 - HB3 ARG 91 - HG3 LYS 33 lone 0 69 - 0 - HD2 LYS 20 - HG3 LYS 33 lone 0 53 - 0 - Peak 1102 from cnoeabs.peaks (1.70, 1.51, 25.00 ppm; 2.44 A): 2 out of 38 assignments used, quality = 0.94: * HD3 LYS 24 + HG3 LYS 24 OK 76 100 - 76 - 3.0=57, 4.9/1096=4...(18) HD2 LYS 24 + HG3 LYS 24 OK 76 100 - 76 - 3.0=57, 4.9/1096=4...(18) HD3 LYS 12 - HG3 LYS 24 OK 20 99 - 21 - 3.0/1099=2, 1122=1, ~464=1 HD2 LYS 12 - HG3 LYS 24 OK 20 99 - 21 - 3.0/1099=2, 1122=1, ~464=1 HD2 LYS 13 - HG3 LYS 24 OK 18 99 - 19 - 1111=1, 3.0/522=1...(4) HD3 LYS 13 - HG3 LYS 24 OK 18 98 - 19 - 1122=1, 3.0/522=1...(4) HD3 LYS 90 - HG3 LYS 24 OK 13 100 - 13 - 2.9/1099=2, ~3973=2...(4) HD3 LYS 47 - HG3 LYS 24 poor 9 77 - 12 - HD2 LYS 47 - HG3 LYS 24 poor 9 73 - 12 - HD2 LYS 13 - HG3 LYS 33 lone 8 88 - 9 - 3.0/522=1 HD3 LYS 13 - HG3 LYS 33 lone 8 85 - 9 - 3.0/522=1 HB2 LEU 2 - HG3 LYS 24 lone 6 99 - 6 - HG2 PRO 86 - HG3 LYS 24 lone 6 99 - 6 - 3.8/1096=1, 3831/3.7=1 HD3 LYS 66 - HG3 LYS 24 lone 5 99 - 5 - HD3 LYS 24 - HG3 LYS 33 lone 5 90 - 6 - HD2 LYS 24 - HG3 LYS 33 lone 5 89 - 6 - HG12 ILE 15 - HG3 LYS 33 lone 4 88 - 4 - HD2 LYS 12 - HG3 LYS 33 lone 4 88 - 4 - HD3 LYS 12 - HG3 LYS 33 lone 4 88 - 4 - HG12 ILE 15 - HG3 LYS 24 lone 2 100 - 2 - HD3 LYS 90 - HG3 LYS 33 lone 2 90 - 2 - HD3 LYS 47 - HG3 LYS 33 lone 2 63 - 2 - HG LEU 70 - HG3 LYS 24 lone 1 100 - 1 - HB2 LEU 2 - HG3 LYS 33 lone 1 87 - 2 - HD2 LYS 47 - HG3 LYS 33 lone 1 60 - 2 - HG2 PRO 86 - HG3 LYS 33 lone 1 88 - 1 - HG LEU 70 - HG3 LYS 33 lone 1 89 - 1 - HB3 LYS 53 - HG3 LYS 33 lone 1 75 - 1 - HB3 ARG 91 - HG3 LYS 24 lone 1 81 - 1 - HB3 LEU 70 - HG3 LYS 24 lone 1 61 - 1 - HB3 LYS 53 - HG3 LYS 24 lone 1 90 - 1 - HD3 LYS 66 - HG3 LYS 33 lone 1 87 - 1 - HB3 LYS 40 - HG3 LYS 33 lone 0 69 - 1 - HB3 LYS 40 - HG3 LYS 24 lone 0 84 - 0 - HB3 LEU 70 - HG3 LYS 33 lone 0 49 - 1 - HD2 LYS 20 - HG3 LYS 24 lone 0 61 - 1 - HB3 ARG 91 - HG3 LYS 33 lone 0 66 - 0 - HD2 LYS 20 - HG3 LYS 33 lone 0 49 - 0 - Peak 1103 from cnoeabs.peaks (2.96, 1.51, 25.00 ppm; 3.43 A): 2 out of 22 assignments used, quality = 1.00: * HE2 LYS 24 + HG3 LYS 24 OK 94 100 - 94 - 3.7=78, 3.0/1101=8...(44) HE3 LYS 24 + HG3 LYS 24 OK 94 100 - 94 - 3.7=78, 3.0/1101=8...(44) HE2 LYS 13 - HG3 LYS 24 OK 34 100 - 34 - 1133=2, 2.9/1102=2...(12) HE3 LYS 13 - HG3 LYS 24 OK 34 99 - 34 - 2.9/1102=2, 2.9/1102=2...(11) HE3 LYS 12 - HG3 LYS 24 OK 29 100 - 29 - ~464=4, ~434=3...(10) HE2 LYS 73 - HG3 LYS 24 OK 25 90 - 29 - 4.0/1099=2, ~3320=2...(9) HE3 LYS 73 - HG3 LYS 24 OK 21 73 - 29 - 4.0/1099=2, 3320/1.8=2...(9) HE3 LYS 47 - HG3 LYS 24 OK 20 87 - 23 - 12306/3.7=2, 2214/2.9=1...(6) HE2 LYS 47 - HG3 LYS 24 OK 20 87 - 23 - 12306/3.7=2, 2214/2.9=1...(6) HE3 LYS 12 - HG3 LYS 33 lone 8 88 - 9 - ~1455=1, ~1454=1 HE2 LYS 13 - HG3 LYS 33 lone 8 89 - 9 - 3.8/522=2 HE3 LYS 13 - HG3 LYS 33 lone 8 88 - 9 - 3.8/522=2 HB3 PHE 45 - HG3 LYS 33 lone 7 87 - 8 - 3.0/1458=2, ~1447=2, 2050/3.9=2 HE2 LYS 24 - HG3 LYS 33 lone 6 90 - 7 - 3.7/1099=1 HE3 LYS 24 - HG3 LYS 33 lone 6 90 - 7 - 3.7/1099=1 HE2 LYS 47 - HG3 LYS 33 lone 3 72 - 4 - HE3 LYS 47 - HG3 LYS 33 lone 3 72 - 4 - HB3 PHE 45 - HG3 LYS 24 lone 2 99 - 2 - HB2 ASN 51 - HG3 LYS 24 lone 1 73 - 2 - HE2 LYS 73 - HG3 LYS 33 lone 1 75 - 1 - HE3 LYS 73 - HG3 LYS 33 lone 1 60 - 1 - HB2 ASN 51 - HG3 LYS 33 lone 1 60 - 1 - Peak 1104 from cnoeabs.peaks (2.96, 1.51, 25.00 ppm; 3.43 A): 2 out of 22 assignments used, quality = 1.00: HE2 LYS 24 + HG3 LYS 24 OK 94 100 - 94 - 3.7=78, 3.0/1101=8...(44) * HE3 LYS 24 + HG3 LYS 24 OK 94 100 - 94 - 3.7=78, 3.0/1101=8...(44) HE2 LYS 13 - HG3 LYS 24 OK 34 100 - 34 - 1133=2, 2.9/1102=2...(12) HE3 LYS 13 - HG3 LYS 24 OK 34 99 - 34 - 2.9/1102=2, 2.9/1102=2...(11) HE3 LYS 12 - HG3 LYS 24 OK 29 100 - 29 - ~464=4, ~434=3...(10) HE2 LYS 73 - HG3 LYS 24 OK 25 90 - 29 - 4.0/1099=2, ~3320=2...(9) HE3 LYS 73 - HG3 LYS 24 OK 21 73 - 29 - 4.0/1099=2, 3320/1.8=2...(9) HE3 LYS 47 - HG3 LYS 24 OK 20 87 - 23 - 12306/3.7=2, 2214/2.9=1...(6) HE2 LYS 47 - HG3 LYS 24 OK 20 87 - 23 - 12306/3.7=2, 2214/2.9=1...(6) HE3 LYS 12 - HG3 LYS 33 lone 8 88 - 9 - ~1455=1, ~1454=1 HE2 LYS 13 - HG3 LYS 33 lone 8 89 - 9 - 3.8/522=2 HE3 LYS 13 - HG3 LYS 33 lone 8 88 - 9 - 3.8/522=2 HB3 PHE 45 - HG3 LYS 33 lone 7 87 - 8 - 3.0/1458=2, ~1447=2, 2050/3.9=2 HE2 LYS 24 - HG3 LYS 33 lone 6 90 - 7 - 3.7/1099=1 HE3 LYS 24 - HG3 LYS 33 lone 6 90 - 7 - 3.7/1099=1 HE2 LYS 47 - HG3 LYS 33 lone 3 72 - 4 - HE3 LYS 47 - HG3 LYS 33 lone 3 72 - 4 - HB3 PHE 45 - HG3 LYS 24 lone 2 99 - 2 - HB2 ASN 51 - HG3 LYS 24 lone 1 73 - 2 - HE2 LYS 73 - HG3 LYS 33 lone 1 75 - 1 - HE3 LYS 73 - HG3 LYS 33 lone 1 60 - 1 - HB2 ASN 51 - HG3 LYS 33 lone 1 60 - 1 - Peak 1105 from cnoeabs.peaks (7.71, 1.51, 25.00 ppm; 5.07 A): 4 out of 6 assignments used, quality = 0.94: * H ALA 25 + HG3 LYS 24 OK 90 100 - 90 - 6398/3.7=33, 1094/1.8=22...(17) H LEU 64 + HG3 LYS 24 OK 27 97 - 28 - 1059/3.7=7, 1094/1.8=7...(8) H SER 49 + HG3 LYS 24 OK 12 77 - 15 - 1094/1.8=3, 1059/3.7=2...(9) H ALA 25 + HG3 LYS 33 OK 12 90 - 13 - 3.6/1096=3, 6402=2...(6) H LEU 64 - HG3 LYS 33 lone 3 84 - 3 - H SER 49 - HG3 LYS 33 lone 3 63 - 4 - 4.6/6784=1 Peak 1106 from cnoeabs.peaks (7.57, 1.70, 28.90 ppm; 4.40 A): 2 out of 18 assignments used, quality = 0.98: * H LYS 24 + HD2 LYS 24 OK 85 100 - 85 - 6.3=33, 1095/3.0=18...(19) H LYS 24 + HD3 LYS 24 OK 85 100 - 85 - 6.3=33, 1095/3.0=18...(19) H GLU 88 - HD2 LYS 24 OK 40 100 - 40 - 1095/3.0=8, 1049/4.9=7...(15) H GLU 88 - HD3 LYS 24 OK 40 100 - 40 - 1095/3.0=8, 1049/4.9=7...(15) H LYS 24 - HD2 LYS 13 OK 25 92 - 27 - 3.0/1118=3, ~1118=2...(15) H LYS 24 - HD3 LYS 13 OK 21 80 - 27 - 3.0/1118=3, ~1118=2...(14) H LYS 24 - HD2 LYS 12 OK 21 81 - 26 - 3.0/1056=3, 1084/3.0=2...(13) H LYS 24 - HD3 LYS 12 OK 21 81 - 26 - 3.0/1056=3, 1084/3.0=2...(13) H ILE 76 - HD2 LYS 24 OK 15 84 - 18 - 1095/3.0=3, 9644/3.6=2...(6) H ILE 76 - HD3 LYS 24 OK 15 83 - 18 - 1095/3.0=3, 9644/3.6=2...(6) H ILE 76 - HD2 LYS 13 OK 15 71 - 21 - 9650/5.5=4, 7257/3.0=4...(7) H ILE 76 - HD3 LYS 13 OK 13 61 - 21 - 9650/5.5=4, 7257/3.0=4...(7) H GLU 88 - HD2 LYS 13 OK 12 91 - 13 - ~3870=2, 6386/3.0=1, 3.0/3871=1 H GLU 88 - HD3 LYS 13 OK 10 80 - 13 - ~3870=2, 6386/3.0=1, ~3871=1 H ILE 76 - HD2 LYS 12 poor 8 62 - 12 - 9649/5.2=2, 7257/3.0=2 H ILE 76 - HD3 LYS 12 poor 8 62 - 12 - 9649/5.2=2, 7257/3.0=2 H GLU 88 - HD2 LYS 12 lone 7 81 - 9 - H GLU 88 - HD3 LYS 12 lone 7 81 - 9 - Peak 1107 from cnoeabs.peaks (4.10, 1.70, 28.90 ppm; 3.60 A): 2 out of 12 assignments used, quality = 0.98: * HA LYS 24 + HD2 LYS 24 OK 87 100 - 87 - 4.9=38, 1096/3.0=22...(37) HA LYS 24 + HD3 LYS 24 OK 87 100 - 87 - 4.9=38, 1096/3.0=22...(37) HA LYS 24 - HD2 LYS 13 OK 27 92 - 30 - 1056=3, 1056/1.8=3...(7) HA LYS 24 - HD3 LYS 13 OK 24 80 - 30 - 1056=3, 1056/1.8=3...(7) HA PRO 86 - HD2 LYS 24 OK 23 90 - 26 - 1096/3.0=4, 1085/3.0=3...(14) HA PRO 86 - HD3 LYS 24 OK 23 89 - 26 - 1096/3.0=4, 1085/3.0=3...(14) HA LYS 24 - HD3 LYS 12 OK 23 81 - 28 - 1056=3, 1053/3.0=3...(7) HA LYS 24 - HD2 LYS 12 OK 23 81 - 28 - 1056=3, 1053/3.0=3...(7) HA PRO 86 - HD2 LYS 13 poor 10 77 - 13 - 9894/3.6=1, 9894/3.6=1 HA PRO 86 - HD3 LYS 13 poor 8 66 - 12 - 9894/3.6=1, 9894/3.6=1 HA PRO 86 - HD2 LYS 12 lone 6 67 - 8 - HA PRO 86 - HD3 LYS 12 lone 6 67 - 8 - Peak 1108 from cnoeabs.peaks (1.96, 1.70, 28.90 ppm; 2.83 A): 4 out of 66 assignments used, quality = 1.00: * HB2 LYS 24 + HD2 LYS 24 OK 82 100 - 82 - 3.6=50, 1098/3.0=7...(39) HB3 LYS 24 + HD2 LYS 24 OK 82 100 - 82 - 3.6=50, 1098/3.0=7...(39) HB3 LYS 24 + HD3 LYS 24 OK 82 100 - 82 - 3.6=50, 1097/3.0=7...(39) HB2 LYS 24 + HD3 LYS 24 OK 82 100 - 82 - 3.6=50, 1097/3.0=7...(39) HB2 LYS 73 - HD2 LYS 24 OK 27 99 - 28 - 1098/3.0=2, ~9954=2, 1087/3.0=1 HB2 LYS 73 - HD3 LYS 24 OK 27 99 - 28 - 1098/3.0=2, ~9954=2, 1087/3.0=1 HB3 LYS 73 - HD2 LYS 24 OK 27 98 - 28 - ~9954=2, 1097/3.0=2, 1087/3.0=1 HB3 LYS 73 - HD3 LYS 24 OK 27 98 - 28 - ~9954=2, 1098/3.0=2, 1086/3.0=1 HB2 LYS 47 - HD2 LYS 24 OK 25 98 - 26 - 1098/3.0=1, 1086/3.0=1 HB2 LYS 47 - HD3 LYS 24 OK 25 98 - 25 - 1098/3.0=1, 1086/3.0=1 HB2 LYS 47 - HD2 LYS 13 OK 24 87 - 28 - 2138/3.0=2, 2137/3.6=1...(5) HB3 LYS 24 - HD2 LYS 13 OK 24 92 - 26 - 2.9/1102=1, 3.0/1118=1, 1080=1 HB2 LYS 24 - HD2 LYS 13 OK 24 92 - 26 - 2.9/1102=1, 3.0/1118=1, 1080=1 HB3 LYS 24 - HD3 LYS 12 OK 23 81 - 29 - 2.9/1102=2, 1068=1, 3.0/1056=1 HB2 LYS 24 - HD2 LYS 12 OK 23 81 - 29 - 2.9/1102=2, 1068=1, 3.0/1056=1 HB2 LYS 24 - HD3 LYS 12 OK 23 81 - 29 - 2.9/1102=2, 1068=1, 3.0/1056=1 HB3 LYS 24 - HD2 LYS 12 OK 23 81 - 29 - 2.9/1102=2, 1068=1, 3.0/1056=1 HB2 LYS 47 - HD3 LYS 13 OK 21 76 - 28 - 2138/3.0=2, 2137/3.6=1...(5) HB3 LYS 24 - HD3 LYS 13 OK 21 80 - 26 - 2.9/1102=1, 3.0/1056=1, 1080=1 HB2 LYS 24 - HD3 LYS 13 OK 21 80 - 26 - 2.9/1102=1, 3.0/1056=1, 1080=1 HB2 LYS 73 - HD2 LYS 13 OK 17 89 - 19 - HB3 LYS 73 - HD2 LYS 13 OK 17 87 - 19 - HB2 LYS 73 - HD3 LYS 13 OK 15 77 - 19 - HB3 LYS 73 - HD3 LYS 13 OK 15 76 - 19 - HB2 LYS 73 - HD3 LYS 12 OK 10 78 - 13 - HB2 LYS 73 - HD2 LYS 12 OK 10 78 - 13 - HB3 LYS 73 - HD2 LYS 12 poor 10 77 - 13 - HB3 LYS 73 - HD3 LYS 12 poor 10 77 - 13 - HB2 LYS 47 - HD3 LYS 12 lone 4 77 - 6 - HB2 LYS 47 - HD2 LYS 12 lone 4 77 - 6 - HB3 ARG 46 - HD2 LYS 24 lone 4 100 - 4 - HB3 ARG 46 - HD3 LYS 24 lone 4 100 - 4 - HB3 MET 74 - HD3 LYS 24 lone 4 100 - 4 - HB3 MET 74 - HD2 LYS 24 lone 4 100 - 4 - HB2 ARG 46 - HD2 LYS 24 lone 3 87 - 4 - HB2 ARG 46 - HD3 LYS 24 lone 3 86 - 4 - HB3 MET 74 - HD2 LYS 13 lone 3 92 - 3 - HB3 MET 74 - HD3 LYS 13 lone 2 80 - 3 - HB3 ARG 46 - HD2 LYS 13 lone 2 91 - 2 - HB3 ARG 46 - HD2 LYS 12 lone 2 80 - 2 - HB3 ARG 46 - HD3 LYS 12 lone 2 80 - 2 - HG3 GLU 88 - HD2 LYS 24 lone 2 61 - 3 - HG3 GLU 88 - HD3 LYS 24 lone 2 61 - 3 - HB2 ARG 46 - HD2 LYS 12 lone 2 64 - 2 - HB2 ARG 46 - HD3 LYS 12 lone 2 64 - 2 - HB3 ARG 46 - HD3 LYS 13 lone 2 79 - 2 - HB2 ARG 46 - HD2 LYS 13 lone 1 74 - 2 - HB3 MET 74 - HD2 LYS 12 lone 1 81 - 2 - HB3 MET 74 - HD3 LYS 12 lone 1 81 - 2 - QE MET 1 - HD2 LYS 24 lone 1 81 - 2 - QE MET 1 - HD3 LYS 24 lone 1 80 - 2 - QE MET 1 - HD2 LYS 13 lone 1 68 - 2 - HB2 ARG 46 - HD3 LYS 13 lone 1 63 - 2 - HB2 GLU 37 - HD2 LYS 24 lone 1 77 - 1 - HB2 GLU 37 - HD3 LYS 24 lone 1 77 - 1 - QE MET 1 - HD3 LYS 13 lone 1 58 - 1 - QE MET 1 - HD3 LYS 12 lone 1 59 - 1 - QE MET 1 - HD2 LYS 12 lone 1 59 - 1 - HG3 GLU 88 - HD2 LYS 13 lone 1 51 - 1 - HB2 GLU 37 - HD3 LYS 12 lone 0 56 - 1 - HB2 GLU 37 - HD2 LYS 12 lone 0 56 - 1 - HB2 GLU 37 - HD2 LYS 13 lone 0 65 - 1 - HG3 GLU 88 - HD2 LYS 12 lone 0 43 - 1 - HG3 GLU 88 - HD3 LYS 12 lone 0 43 - 1 - HB2 GLU 37 - HD3 LYS 13 lone 0 55 - 1 - HG3 GLU 88 - HD3 LYS 13 lone 0 42 - 1 - Peak 1109 from cnoeabs.peaks (1.96, 1.70, 28.90 ppm; 2.83 A): 4 out of 66 assignments used, quality = 1.00: HB2 LYS 24 + HD2 LYS 24 OK 82 100 - 82 - 3.6=50, 1098/3.0=7...(39) * HB3 LYS 24 + HD2 LYS 24 OK 82 100 - 82 - 3.6=50, 1098/3.0=7...(39) HB3 LYS 24 + HD3 LYS 24 OK 82 100 - 82 - 3.6=50, 1097/3.0=7...(39) HB2 LYS 24 + HD3 LYS 24 OK 82 100 - 82 - 3.6=50, 1097/3.0=7...(39) HB2 LYS 73 - HD2 LYS 24 OK 27 99 - 28 - 1098/3.0=2, ~9954=2, 1087/3.0=1 HB2 LYS 73 - HD3 LYS 24 OK 27 99 - 28 - 1098/3.0=2, ~9954=2, 1087/3.0=1 HB3 LYS 73 - HD2 LYS 24 OK 27 98 - 28 - ~9954=2, 1097/3.0=2, 1087/3.0=1 HB3 LYS 73 - HD3 LYS 24 OK 27 98 - 28 - ~9954=2, 1098/3.0=2, 1086/3.0=1 HB2 LYS 47 - HD2 LYS 24 OK 25 98 - 26 - 1098/3.0=1, 1086/3.0=1 HB2 LYS 47 - HD3 LYS 24 OK 25 98 - 25 - 1098/3.0=1, 1086/3.0=1 HB2 LYS 47 - HD2 LYS 13 OK 24 87 - 28 - 2138/3.0=2, 2137/3.6=1...(5) HB3 LYS 24 - HD2 LYS 13 OK 24 92 - 26 - 2.9/1102=1, 3.0/1118=1, 1080=1 HB2 LYS 24 - HD2 LYS 13 OK 24 92 - 26 - 2.9/1102=1, 3.0/1118=1, 1080=1 HB3 LYS 24 - HD3 LYS 12 OK 23 81 - 29 - 2.9/1102=2, 1068=1, 3.0/1056=1 HB2 LYS 24 - HD2 LYS 12 OK 23 81 - 29 - 2.9/1102=2, 1068=1, 3.0/1056=1 HB2 LYS 24 - HD3 LYS 12 OK 23 81 - 29 - 2.9/1102=2, 1068=1, 3.0/1056=1 HB3 LYS 24 - HD2 LYS 12 OK 23 81 - 29 - 2.9/1102=2, 1068=1, 3.0/1056=1 HB2 LYS 47 - HD3 LYS 13 OK 21 76 - 28 - 2138/3.0=2, 2137/3.6=1...(5) HB3 LYS 24 - HD3 LYS 13 OK 21 80 - 26 - 2.9/1102=1, 3.0/1056=1, 1080=1 HB2 LYS 24 - HD3 LYS 13 OK 21 80 - 26 - 2.9/1102=1, 3.0/1056=1, 1080=1 HB2 LYS 73 - HD2 LYS 13 OK 17 89 - 19 - HB3 LYS 73 - HD2 LYS 13 OK 17 87 - 19 - HB2 LYS 73 - HD3 LYS 13 OK 15 77 - 19 - HB3 LYS 73 - HD3 LYS 13 OK 15 76 - 19 - HB2 LYS 73 - HD3 LYS 12 OK 10 78 - 13 - HB2 LYS 73 - HD2 LYS 12 OK 10 78 - 13 - HB3 LYS 73 - HD2 LYS 12 poor 10 77 - 13 - HB3 LYS 73 - HD3 LYS 12 poor 10 77 - 13 - HB2 LYS 47 - HD3 LYS 12 lone 4 77 - 6 - HB2 LYS 47 - HD2 LYS 12 lone 4 77 - 6 - HB3 ARG 46 - HD2 LYS 24 lone 4 100 - 4 - HB3 ARG 46 - HD3 LYS 24 lone 4 100 - 4 - HB3 MET 74 - HD3 LYS 24 lone 4 100 - 4 - HB3 MET 74 - HD2 LYS 24 lone 4 100 - 4 - HB2 ARG 46 - HD2 LYS 24 lone 3 87 - 4 - HB2 ARG 46 - HD3 LYS 24 lone 3 86 - 4 - HB3 MET 74 - HD2 LYS 13 lone 3 92 - 3 - HB3 MET 74 - HD3 LYS 13 lone 2 80 - 3 - HB3 ARG 46 - HD2 LYS 13 lone 2 91 - 2 - HB3 ARG 46 - HD2 LYS 12 lone 2 80 - 2 - HB3 ARG 46 - HD3 LYS 12 lone 2 80 - 2 - HG3 GLU 88 - HD2 LYS 24 lone 2 61 - 3 - HG3 GLU 88 - HD3 LYS 24 lone 2 61 - 3 - HB2 ARG 46 - HD2 LYS 12 lone 2 64 - 2 - HB2 ARG 46 - HD3 LYS 12 lone 2 64 - 2 - HB3 ARG 46 - HD3 LYS 13 lone 2 79 - 2 - HB2 ARG 46 - HD2 LYS 13 lone 1 74 - 2 - HB3 MET 74 - HD2 LYS 12 lone 1 81 - 2 - HB3 MET 74 - HD3 LYS 12 lone 1 81 - 2 - QE MET 1 - HD2 LYS 24 lone 1 81 - 2 - QE MET 1 - HD3 LYS 24 lone 1 80 - 2 - QE MET 1 - HD2 LYS 13 lone 1 68 - 2 - HB2 ARG 46 - HD3 LYS 13 lone 1 63 - 2 - HB2 GLU 37 - HD2 LYS 24 lone 1 77 - 1 - HB2 GLU 37 - HD3 LYS 24 lone 1 77 - 1 - QE MET 1 - HD3 LYS 13 lone 1 58 - 1 - QE MET 1 - HD3 LYS 12 lone 1 59 - 1 - QE MET 1 - HD2 LYS 12 lone 1 59 - 1 - HG3 GLU 88 - HD2 LYS 13 lone 1 51 - 1 - HB2 GLU 37 - HD3 LYS 12 lone 0 56 - 1 - HB2 GLU 37 - HD2 LYS 12 lone 0 56 - 1 - HB2 GLU 37 - HD2 LYS 13 lone 0 65 - 1 - HG3 GLU 88 - HD2 LYS 12 lone 0 43 - 1 - HG3 GLU 88 - HD3 LYS 12 lone 0 43 - 1 - HB2 GLU 37 - HD3 LYS 13 lone 0 55 - 1 - HG3 GLU 88 - HD3 LYS 13 lone 0 42 - 1 - Peak 1110 from cnoeabs.peaks (1.59, 1.70, 28.90 ppm; 2.40 A): 4 out of 78 assignments used, quality = 0.99: * HG2 LYS 24 + HD2 LYS 24 OK 73 100 - 73 - 3.0=54, 1.8/1101=7...(16) HG2 LYS 24 + HD3 LYS 24 OK 73 100 - 73 - 3.0=54, 1.8/1101=7...(16) HG3 LYS 12 + HD2 LYS 12 OK 55 74 - 75 - 3.0=52, 1.8/422=7...(22) HG3 LYS 12 + HD3 LYS 12 OK 55 74 - 75 - 3.0=52, 1.8/421=7...(22) HG3 LYS 12 - HD2 LYS 24 OK 19 96 - 20 - 1.8/422=2, 1099/3.0=2, 432=1 HG3 LYS 12 - HD3 LYS 24 OK 19 95 - 20 - 1.8/422=2, 1099/3.0=2, 432=1 HG3 LYS 12 - HD2 LYS 13 OK 18 84 - 21 - 1.8/421=2, 432=1, ~422=1, ~421=1 HG2 LYS 24 - HD3 LYS 12 OK 18 81 - 22 - 1.8/1102=2, 464/3.0=2...(4) HG2 LYS 24 - HD2 LYS 12 OK 18 81 - 22 - 1.8/1102=2, 464/3.0=2...(4) HG3 LYS 90 - HD2 LYS 24 OK 17 100 - 17 - 1099/3.0=2, 1.8/3953=1, 3964=1 HG3 LYS 90 - HD3 LYS 24 OK 17 100 - 17 - 1099/3.0=2, 1.8/3953=1, 3964=1 HG2 LYS 24 - HD2 LYS 13 OK 16 92 - 18 - 1.8/1102=2, 1091=1 HG3 LYS 12 - HD3 LYS 13 OK 15 73 - 21 - 1.8/422=2, 433=1, ~422=1, ~421=1 HG3 LYS 73 - HD2 LYS 24 OK 14 87 - 17 - 1099/3.0=2, 433=1 HG3 LYS 73 - HD3 LYS 24 OK 14 86 - 17 - 1099/3.0=2, 433=1 HG2 LYS 24 - HD3 LYS 13 OK 14 80 - 17 - 1.8/1102=2, 1091=1 HG3 LYS 90 - HD3 LYS 12 OK 13 81 - 16 - 1.8/3953=1, 2.9/3975=1, 3964=1 HG3 LYS 90 - HD2 LYS 12 OK 13 81 - 16 - 1.8/3953=1, 2.9/3975=1, 3964=1 HD2 LYS 66 - HD3 LYS 12 OK 11 56 - 20 - 2937=2, 420/3.0=2...(7) HD2 LYS 66 - HD2 LYS 12 OK 11 56 - 20 - 2937=2, 420/3.0=2...(7) HG3 LYS 73 - HD2 LYS 13 poor 9 74 - 13 - HG3 LYS 73 - HD3 LYS 13 poor 8 63 - 13 - HG3 LYS 73 - HD2 LYS 12 lone 6 64 - 10 - HG3 LYS 73 - HD3 LYS 12 lone 6 64 - 10 - HB3 LEU 29 - HD3 LYS 12 lone 6 69 - 9 - 420/3.0=1 HB3 LEU 29 - HD2 LYS 12 lone 6 69 - 9 - 420/3.0=1 HD2 LYS 66 - HD2 LYS 24 lone 6 77 - 7 - HD2 LYS 66 - HD3 LYS 24 lone 6 77 - 7 - HG LEU 27 - HD3 LYS 12 lone 6 64 - 9 - HG LEU 27 - HD2 LYS 12 lone 6 64 - 9 - HD2 LYS 66 - HD2 LYS 13 lone 5 65 - 7 - HD2 LYS 66 - HD3 LYS 13 lone 4 55 - 7 - HG3 LYS 90 - HD2 LYS 13 lone 3 91 - 3 - HB2 LEU 103 - HD2 LYS 24 lone 3 100 - 3 - HB2 LEU 103 - HD3 LYS 24 lone 3 100 - 3 - HG LEU 103 - HD2 LYS 24 lone 3 99 - 3 - HG LEU 103 - HD3 LYS 24 lone 3 99 - 3 - HG3 LYS 90 - HD3 LYS 13 lone 3 80 - 3 - HD3 LYS 94 - HD3 LYS 12 lone 2 64 - 3 - HD3 LYS 94 - HD2 LYS 12 lone 2 64 - 3 - HD3 LYS 94 - HD2 LYS 13 lone 2 74 - 2 - HD3 LYS 94 - HD3 LYS 24 lone 1 86 - 2 - HD3 LYS 94 - HD2 LYS 24 lone 1 87 - 2 - HG LEU 27 - HD2 LYS 24 lone 1 87 - 2 - HG LEU 27 - HD3 LYS 24 lone 1 86 - 2 - HD3 LYS 94 - HD3 LYS 13 lone 1 63 - 2 - HB3 LEU 29 - HD2 LYS 13 lone 1 80 - 2 - HG2 ARG 19 - HD3 LYS 12 lone 1 81 - 1 - HG2 ARG 19 - HD2 LYS 12 lone 1 81 - 1 - HB3 LEU 29 - HD3 LYS 13 lone 1 68 - 2 - HG2 ARG 19 - HD2 LYS 24 lone 1 100 - 1 - HG2 ARG 19 - HD3 LYS 24 lone 1 100 - 1 - HB3 LEU 29 - HD2 LYS 24 lone 1 92 - 1 - HB3 LEU 29 - HD3 LYS 24 lone 1 91 - 1 - HB2 LEU 103 - HD3 LYS 12 lone 1 81 - 1 - HB2 LEU 103 - HD2 LYS 12 lone 1 81 - 1 - HG2 ARG 19 - HD2 LYS 13 lone 1 91 - 1 - HG LEU 103 - HD3 LYS 12 lone 1 79 - 1 - HG LEU 103 - HD2 LYS 12 lone 1 79 - 1 - HG LEU 27 - HD2 LYS 13 lone 1 74 - 1 - HG2 ARG 19 - HD3 LYS 13 lone 1 80 - 1 - HG LEU 27 - HD3 LYS 13 lone 1 63 - 1 - HB2 ARG 30 - HD2 LYS 12 lone 1 50 - 1 - HB2 ARG 30 - HD3 LYS 12 lone 1 50 - 1 - HB2 LEU 103 - HD2 LYS 13 lone 0 91 - 0 - HB2 LEU 103 - HD3 LYS 13 lone 0 80 - 0 - HB2 ARG 79 - HD2 LYS 12 lone 0 59 - 1 - HB2 ARG 79 - HD3 LYS 12 lone 0 59 - 1 - HG LEU 103 - HD2 LYS 13 lone 0 90 - 0 - HB2 ARG 30 - HD2 LYS 24 lone 0 70 - 0 - HB2 ARG 30 - HD3 LYS 24 lone 0 69 - 0 - HB2 ARG 79 - HD2 LYS 24 lone 0 81 - 0 - HB2 ARG 79 - HD3 LYS 24 lone 0 80 - 0 - HG LEU 103 - HD3 LYS 13 lone 0 78 - 0 - HB2 ARG 30 - HD2 LYS 13 lone 0 58 - 0 - HB2 ARG 79 - HD2 LYS 13 lone 0 68 - 0 - HB2 ARG 79 - HD3 LYS 13 lone 0 58 - 0 - HB2 ARG 30 - HD3 LYS 13 lone 0 49 - 0 - Peak 1111 from cnoeabs.peaks (1.51, 1.70, 28.90 ppm; 2.43 A): 4 out of 84 assignments used, quality = 0.99: * HG3 LYS 24 + HD2 LYS 24 OK 77 100 - 77 - 3.0=56, 1101/1.8=7...(18) HG3 LYS 24 + HD3 LYS 24 OK 77 100 - 77 - 3.0=56, 1101/1.8=7...(18) HG3 LYS 13 + HD2 LYS 13 OK 56 77 - 72 - 3.0=56, 1.8/524=6...(11) HG3 LYS 13 + HD3 LYS 13 OK 48 66 - 72 - 3.0=56, 1.8/524=6...(13) HG3 LYS 24 - HD2 LYS 13 OK 19 92 - 20 - 1102=3, 1102/1.8=2...(5) HG3 LYS 24 - HD2 LYS 12 OK 18 81 - 23 - 1102=3, 1102/1.8=2...(4) HG3 LYS 24 - HD3 LYS 12 OK 18 81 - 23 - 1102=3, 1102/1.8=2...(4) HG3 LYS 13 - HD2 LYS 24 OK 17 90 - 20 - 1.8/523=2, 535=1 HG3 LYS 13 - HD3 LYS 24 OK 17 89 - 19 - 1.8/523=2, 535=1 HG3 LYS 13 - HD3 LYS 12 OK 17 67 - 25 - 1.8/524=2, 535=2...(7) HG3 LYS 13 - HD2 LYS 12 OK 17 67 - 25 - 1.8/524=2, 535=2...(7) HG3 LYS 24 - HD3 LYS 13 OK 16 80 - 20 - 1102=3, 1102/1.8=2...(5) HG3 LYS 66 - HD2 LYS 12 OK 12 56 - 23 - 2.9/2937=2, 3.0/2892=1...(5) HG3 LYS 66 - HD3 LYS 12 OK 12 56 - 23 - 2.9/2937=2, 3.0/2892=1...(5) HG2 LYS 66 - HD3 LYS 12 OK 11 50 - 23 - 2.9/2937=2, 3.0/2892=1...(5) HG2 LYS 66 - HD2 LYS 12 OK 11 50 - 23 - 2.9/2937=2, 3.0/2892=1...(5) HG2 LYS 73 - HD2 LYS 24 OK 11 73 - 15 - 535=1 HG2 LYS 47 - HD2 LYS 24 OK 11 70 - 16 - 1.8/2175=1 HG2 LYS 73 - HD3 LYS 24 OK 11 73 - 15 - 535=1 HG2 LYS 47 - HD3 LYS 24 OK 11 69 - 16 - HG2 LYS 47 - HD2 LYS 13 poor 10 58 - 17 - 522/3.0=2, 535=1 HG3 LYS 33 - HD2 LYS 13 poor 9 90 - 10 - 522/3.0=1, 1102=1 HG LEU 2 - HD2 LYS 24 lone 8 97 - 8 - 70=1 HG LEU 2 - HD3 LYS 24 lone 8 97 - 8 - 70=1 HG2 LYS 47 - HD3 LYS 13 poor 8 49 - 17 - 522/3.0=2, 535=1 HG3 LYS 33 - HD3 LYS 13 lone 8 78 - 10 - 522/3.0=1, 1102=1 HG2 LYS 73 - HD2 LYS 13 poor 8 62 - 13 - HG LEU 2 - HD2 LYS 13 lone 7 86 - 8 - 70=1 HB2 LEU 14 - HD2 LYS 13 poor 7 68 - 11 - 3.8/6193=1 HG3 LYS 66 - HD2 LYS 24 lone 7 77 - 9 - HG3 LYS 66 - HD3 LYS 24 lone 7 77 - 9 - HG2 LYS 73 - HD3 LYS 13 poor 7 52 - 13 - HG3 LYS 33 - HD2 LYS 24 lone 6 99 - 6 - HG3 LYS 33 - HD3 LYS 24 lone 6 99 - 6 - HG LEU 2 - HD3 LYS 13 lone 6 74 - 8 - 70=1 HG2 LYS 66 - HD2 LYS 24 lone 6 70 - 9 - HG2 LYS 66 - HD3 LYS 24 lone 6 69 - 9 - HB2 LEU 14 - HD3 LYS 13 poor 6 58 - 11 - 3.8/6194=1 HG3 LYS 66 - HD2 LYS 13 lone 6 65 - 9 - HG2 LYS 66 - HD2 LYS 13 lone 5 58 - 9 - HG3 LYS 66 - HD3 LYS 13 lone 5 55 - 9 - HG2 LYS 73 - HD3 LYS 12 lone 5 53 - 9 - HG2 LYS 73 - HD2 LYS 12 lone 5 53 - 9 - HG2 LYS 66 - HD3 LYS 13 lone 5 49 - 9 - HG LEU 2 - HD2 LYS 12 lone 4 76 - 5 - HG LEU 2 - HD3 LYS 12 lone 4 76 - 5 - HB2 LEU 14 - HD2 LYS 24 lone 4 81 - 5 - HB2 LEU 14 - HD3 LYS 24 lone 4 80 - 5 - HG3 LYS 33 - HD3 LYS 12 lone 4 79 - 4 - HG3 LYS 33 - HD2 LYS 12 lone 4 79 - 4 - HB ILE 7 - HD2 LYS 13 lone 3 68 - 5 - HB ILE 7 - HD3 LYS 13 lone 3 58 - 5 - HB2 LEU 14 - HD3 LYS 12 lone 2 59 - 4 - HB2 LEU 14 - HD2 LYS 12 lone 2 59 - 4 - HG LEU 57 - HD2 LYS 13 lone 2 86 - 3 - HB3 LEU 103 - HD2 LYS 24 lone 2 77 - 3 - HB3 LEU 103 - HD3 LYS 24 lone 2 77 - 3 - HG LEU 57 - HD3 LYS 13 lone 2 74 - 3 - HG2 LYS 47 - HD2 LYS 12 lone 2 50 - 3 - HG2 LYS 47 - HD3 LYS 12 lone 2 50 - 3 - HB ILE 7 - HD3 LYS 12 lone 1 59 - 2 - HB ILE 7 - HD2 LYS 12 lone 1 59 - 2 - HG LEU 57 - HD2 LYS 24 lone 1 97 - 1 - HG LEU 57 - HD3 LYS 24 lone 1 97 - 1 - HB ILE 7 - HD3 LYS 24 lone 1 80 - 1 - HB ILE 7 - HD2 LYS 24 lone 1 81 - 1 - HB3 LEU 64 - HD2 LYS 24 lone 1 65 - 1 - HB3 LEU 64 - HD3 LYS 24 lone 1 65 - 1 - HB3 LEU 64 - HD2 LYS 13 lone 1 54 - 1 - HB3 LEU 64 - HD3 LYS 13 lone 1 45 - 1 - HB3 LEU 103 - HD2 LYS 12 lone 0 56 - 1 - HB3 LEU 103 - HD3 LYS 12 lone 0 56 - 1 - HG LEU 57 - HD2 LYS 12 lone 0 76 - 1 - HG LEU 57 - HD3 LYS 12 lone 0 76 - 1 - HG LEU 6 - HD2 LYS 24 lone 0 70 - 1 - HG LEU 6 - HD3 LYS 24 lone 0 69 - 1 - HG LEU 6 - HD2 LYS 13 lone 0 58 - 1 - HB3 LEU 103 - HD2 LYS 13 lone 0 65 - 0 - HG LEU 6 - HD2 LYS 12 lone 0 50 - 1 - HG LEU 6 - HD3 LYS 12 lone 0 50 - 1 - HB3 LEU 64 - HD2 LYS 12 lone 0 46 - 1 - HB3 LEU 64 - HD3 LYS 12 lone 0 46 - 1 - HG LEU 6 - HD3 LYS 13 lone 0 49 - 1 - HB3 LEU 103 - HD3 LYS 13 lone 0 55 - 0 - Peak 1112 from cnoeabs.peaks (1.70, 1.70, 28.90 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 89 89 - 100 HD2 LYS 12 + HD2 LYS 12 OK 78 78 - 100 HD3 LYS 12 + HD3 LYS 12 OK 78 78 - 100 HD3 LYS 13 + HD3 LYS 13 OK 74 74 - 100 Peak 1113 from cnoeabs.peaks (1.70, 1.70, 28.90 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 90 90 - 100 HD2 LYS 12 + HD2 LYS 12 OK 79 79 - 100 HD3 LYS 12 + HD3 LYS 12 OK 79 79 - 100 HD3 LYS 13 + HD3 LYS 13 OK 76 76 - 100 Reference assignment not found: HD3 LYS 24 - HD2 LYS 24 Peak 1114 from cnoeabs.peaks (2.96, 1.70, 28.90 ppm; 2.84 A): 10 out of 66 assignments used, quality = 1.00: HE3 LYS 24 + HD2 LYS 24 OK 93 100 - 93 - 3.0=88, 3.7/1101=4...(29) * HE2 LYS 24 + HD2 LYS 24 OK 93 100 - 93 - 3.0=88, 3.7/1101=4...(29) HE3 LYS 24 + HD3 LYS 24 OK 93 100 - 93 - 3.0=88, 3.7/1101=4...(29) HE2 LYS 24 + HD3 LYS 24 OK 93 100 - 93 - 3.0=88, 3.7/1101=4...(29) HE2 LYS 13 + HD2 LYS 13 OK 86 91 - 94 - 2.9=90, 3.8/524=4...(21) HE3 LYS 13 + HD2 LYS 13 OK 85 90 - 94 - 2.9=90, 3.8/524=4...(22) HE2 LYS 13 + HD3 LYS 13 OK 75 80 - 94 - 2.9=90, 3.8/524=4...(21) HE3 LYS 12 + HD2 LYS 12 OK 75 80 - 93 - 3.0=87, 1.8/466=9...(16) HE3 LYS 12 + HD3 LYS 12 OK 75 80 - 93 - 3.0=87, 1.8/466=9...(16) HE3 LYS 13 + HD3 LYS 13 OK 74 78 - 94 - 2.9=90, 3.8/524=4...(22) HE2 LYS 13 - HD2 LYS 12 OK 22 81 - 27 - 468/3.0=2, 424/3.0=2...(5) HE2 LYS 13 - HD3 LYS 12 OK 22 81 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 12 - HD2 LYS 24 OK 21 100 - 22 - 1.8/465=2, ~464=2...(6) HE3 LYS 12 - HD3 LYS 24 OK 21 100 - 22 - 1.8/466=2, ~464=2...(6) HE3 LYS 13 - HD2 LYS 12 OK 21 79 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 13 - HD3 LYS 12 OK 21 79 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 12 - HD2 LYS 13 OK 21 91 - 23 - 1.8/466=3, ~463=2...(8) HE3 LYS 24 - HD2 LYS 12 OK 19 81 - 24 - 468/3.0=2, 424/3.0=2...(4) HE3 LYS 24 - HD3 LYS 12 OK 19 81 - 24 - 468/3.0=2, 424/3.0=2...(4) HE2 LYS 24 - HD3 LYS 12 OK 19 81 - 24 - 468/3.0=2, 424/3.0=2...(4) HE2 LYS 24 - HD2 LYS 12 OK 19 81 - 24 - 468/3.0=2, 424/3.0=2...(4) HE3 LYS 12 - HD3 LYS 13 OK 18 79 - 23 - 1.8/466=3, ~463=2...(8) HE2 LYS 13 - HD2 LYS 24 OK 18 100 - 18 - 1103/3.0=1, 3.8/523=1 HE2 LYS 13 - HD3 LYS 24 OK 18 100 - 18 - 1103/3.0=1, 3.8/523=1 HE3 LYS 13 - HD2 LYS 24 OK 18 99 - 18 - 1103/3.0=1, 3.8/523=1 HE3 LYS 13 - HD3 LYS 24 OK 18 99 - 18 - 1103/3.0=1, 3.8/523=1 HE3 LYS 24 - HD2 LYS 13 OK 17 92 - 18 - 525/3.0=1 HE2 LYS 24 - HD2 LYS 13 OK 17 92 - 18 - 525/3.0=1 HE2 LYS 24 - HD3 LYS 13 OK 15 80 - 18 - 525/3.0=1 HE3 LYS 24 - HD3 LYS 13 OK 15 80 - 18 - 525/3.0=1 HE2 LYS 73 - HD2 LYS 24 poor 10 90 - 11 - 1103/3.0=1 HE2 LYS 73 - HD3 LYS 24 poor 10 89 - 11 - 1104/3.0=1 HE2 LYS 47 - HD2 LYS 24 poor 9 87 - 11 - HE3 LYS 47 - HD2 LYS 24 poor 9 87 - 11 - HE3 LYS 47 - HD3 LYS 24 poor 9 86 - 11 - HE2 LYS 47 - HD3 LYS 24 poor 9 86 - 11 - HE2 LYS 47 - HD2 LYS 13 poor 9 74 - 12 - HE3 LYS 47 - HD2 LYS 13 poor 9 74 - 12 - HE3 LYS 73 - HD2 LYS 24 poor 8 73 - 11 - HE3 LYS 73 - HD3 LYS 24 poor 8 73 - 11 - HE3 LYS 47 - HD3 LYS 13 poor 8 63 - 12 - HE2 LYS 47 - HD3 LYS 13 poor 8 63 - 12 - HE2 LYS 73 - HD2 LYS 13 lone 5 77 - 7 - HE3 LYS 73 - HD2 LYS 13 lone 4 62 - 7 - HE2 LYS 73 - HD3 LYS 13 lone 4 66 - 6 - HE2 LYS 73 - HD3 LYS 12 lone 4 67 - 5 - HE2 LYS 73 - HD2 LYS 12 lone 4 67 - 5 - HE3 LYS 73 - HD3 LYS 13 lone 4 52 - 7 - HE3 LYS 73 - HD2 LYS 12 lone 3 53 - 5 - HE3 LYS 73 - HD3 LYS 12 lone 3 53 - 5 - HE2 LYS 47 - HD3 LYS 12 lone 3 64 - 4 - HE3 LYS 47 - HD3 LYS 12 lone 3 64 - 4 - HE3 LYS 47 - HD2 LYS 12 lone 3 64 - 4 - HE2 LYS 47 - HD2 LYS 12 lone 3 64 - 4 - HB3 PHE 45 - HD3 LYS 12 lone 1 78 - 2 - HB3 PHE 45 - HD2 LYS 12 lone 1 78 - 2 - HB3 PHE 45 - HD2 LYS 13 lone 1 89 - 1 - HB2 ASN 51 - HD2 LYS 13 lone 1 62 - 2 - HB3 PHE 45 - HD2 LYS 24 lone 1 99 - 1 - HB3 PHE 45 - HD3 LYS 24 lone 1 99 - 1 - HB3 PHE 45 - HD3 LYS 13 lone 1 77 - 1 - HB2 ASN 51 - HD3 LYS 13 lone 1 52 - 2 - HB2 ASN 51 - HD2 LYS 24 lone 1 73 - 1 - HB2 ASN 51 - HD3 LYS 24 lone 1 73 - 1 - HB2 ASN 51 - HD3 LYS 12 lone 0 53 - 1 - HB2 ASN 51 - HD2 LYS 12 lone 0 53 - 1 - Peak 1115 from cnoeabs.peaks (2.96, 1.70, 28.90 ppm; 2.84 A): 10 out of 66 assignments used, quality = 1.00: * HE3 LYS 24 + HD2 LYS 24 OK 93 100 - 93 - 3.0=88, 3.7/1101=4...(29) HE2 LYS 24 + HD2 LYS 24 OK 93 100 - 93 - 3.0=88, 3.7/1101=4...(29) HE3 LYS 24 + HD3 LYS 24 OK 93 100 - 93 - 3.0=88, 3.7/1101=4...(29) HE2 LYS 24 + HD3 LYS 24 OK 93 100 - 93 - 3.0=88, 3.7/1101=4...(29) HE2 LYS 13 + HD2 LYS 13 OK 86 91 - 94 - 2.9=90, 3.8/524=4...(21) HE3 LYS 13 + HD2 LYS 13 OK 85 90 - 94 - 2.9=90, 3.8/524=4...(22) HE2 LYS 13 + HD3 LYS 13 OK 75 80 - 94 - 2.9=90, 3.8/524=4...(21) HE3 LYS 12 + HD2 LYS 12 OK 75 80 - 93 - 3.0=87, 1.8/466=9...(16) HE3 LYS 12 + HD3 LYS 12 OK 75 80 - 93 - 3.0=87, 1.8/466=9...(16) HE3 LYS 13 + HD3 LYS 13 OK 74 78 - 94 - 2.9=90, 3.8/524=4...(22) HE2 LYS 13 - HD2 LYS 12 OK 22 81 - 27 - 468/3.0=2, 424/3.0=2...(5) HE2 LYS 13 - HD3 LYS 12 OK 22 81 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 12 - HD2 LYS 24 OK 21 100 - 22 - 1.8/465=2, ~464=2...(6) HE3 LYS 12 - HD3 LYS 24 OK 21 100 - 22 - 1.8/466=2, ~464=2...(6) HE3 LYS 13 - HD2 LYS 12 OK 21 79 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 13 - HD3 LYS 12 OK 21 79 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 12 - HD2 LYS 13 OK 21 91 - 23 - 1.8/466=3, ~463=2...(8) HE3 LYS 24 - HD2 LYS 12 OK 19 81 - 24 - 468/3.0=2, 424/3.0=2...(4) HE3 LYS 24 - HD3 LYS 12 OK 19 81 - 24 - 468/3.0=2, 424/3.0=2...(4) HE2 LYS 24 - HD3 LYS 12 OK 19 81 - 24 - 468/3.0=2, 424/3.0=2...(4) HE2 LYS 24 - HD2 LYS 12 OK 19 81 - 24 - 468/3.0=2, 424/3.0=2...(4) HE3 LYS 12 - HD3 LYS 13 OK 18 79 - 23 - 1.8/466=3, ~463=2...(8) HE2 LYS 13 - HD2 LYS 24 OK 18 100 - 18 - 1103/3.0=1, 3.8/523=1 HE2 LYS 13 - HD3 LYS 24 OK 18 100 - 18 - 1103/3.0=1, 3.8/523=1 HE3 LYS 13 - HD2 LYS 24 OK 18 99 - 18 - 1103/3.0=1, 3.8/523=1 HE3 LYS 13 - HD3 LYS 24 OK 18 99 - 18 - 1103/3.0=1, 3.8/523=1 HE3 LYS 24 - HD2 LYS 13 OK 17 92 - 18 - 525/3.0=1 HE2 LYS 24 - HD2 LYS 13 OK 17 92 - 18 - 525/3.0=1 HE2 LYS 24 - HD3 LYS 13 OK 15 80 - 18 - 525/3.0=1 HE3 LYS 24 - HD3 LYS 13 OK 15 80 - 18 - 525/3.0=1 HE2 LYS 73 - HD2 LYS 24 poor 10 90 - 11 - 1103/3.0=1 HE2 LYS 73 - HD3 LYS 24 poor 10 89 - 11 - 1104/3.0=1 HE2 LYS 47 - HD2 LYS 24 poor 9 87 - 11 - HE3 LYS 47 - HD2 LYS 24 poor 9 87 - 11 - HE3 LYS 47 - HD3 LYS 24 poor 9 86 - 11 - HE2 LYS 47 - HD3 LYS 24 poor 9 86 - 11 - HE2 LYS 47 - HD2 LYS 13 poor 9 74 - 12 - HE3 LYS 47 - HD2 LYS 13 poor 9 74 - 12 - HE3 LYS 73 - HD2 LYS 24 poor 8 73 - 11 - HE3 LYS 73 - HD3 LYS 24 poor 8 73 - 11 - HE3 LYS 47 - HD3 LYS 13 poor 8 63 - 12 - HE2 LYS 47 - HD3 LYS 13 poor 8 63 - 12 - HE2 LYS 73 - HD2 LYS 13 lone 5 77 - 7 - HE3 LYS 73 - HD2 LYS 13 lone 4 62 - 7 - HE2 LYS 73 - HD3 LYS 13 lone 4 66 - 6 - HE2 LYS 73 - HD3 LYS 12 lone 4 67 - 5 - HE2 LYS 73 - HD2 LYS 12 lone 4 67 - 5 - HE3 LYS 73 - HD3 LYS 13 lone 4 52 - 7 - HE3 LYS 73 - HD2 LYS 12 lone 3 53 - 5 - HE3 LYS 73 - HD3 LYS 12 lone 3 53 - 5 - HE2 LYS 47 - HD3 LYS 12 lone 3 64 - 4 - HE3 LYS 47 - HD3 LYS 12 lone 3 64 - 4 - HE3 LYS 47 - HD2 LYS 12 lone 3 64 - 4 - HE2 LYS 47 - HD2 LYS 12 lone 3 64 - 4 - HB3 PHE 45 - HD3 LYS 12 lone 1 78 - 2 - HB3 PHE 45 - HD2 LYS 12 lone 1 78 - 2 - HB3 PHE 45 - HD2 LYS 13 lone 1 89 - 1 - HB2 ASN 51 - HD2 LYS 13 lone 1 62 - 2 - HB3 PHE 45 - HD2 LYS 24 lone 1 99 - 1 - HB3 PHE 45 - HD3 LYS 24 lone 1 99 - 1 - HB3 PHE 45 - HD3 LYS 13 lone 1 77 - 1 - HB2 ASN 51 - HD3 LYS 13 lone 1 52 - 2 - HB2 ASN 51 - HD2 LYS 24 lone 1 73 - 1 - HB2 ASN 51 - HD3 LYS 24 lone 1 73 - 1 - HB2 ASN 51 - HD3 LYS 12 lone 0 53 - 1 - HB2 ASN 51 - HD2 LYS 12 lone 0 53 - 1 - Peak 1116 from cnoeabs.peaks (7.71, 1.70, 28.90 ppm; 4.81 A): 2 out of 18 assignments used, quality = 0.96: * H ALA 25 + HD2 LYS 24 OK 80 100 - 80 - 6398/4.9=23, 1105/3.0=19...(13) H ALA 25 + HD3 LYS 24 OK 80 100 - 80 - 6398/4.9=23, 1105/3.0=19...(13) H LEU 64 - HD2 LYS 24 OK 22 97 - 22 - 1105/3.0=6, 1094/3.0=5...(6) H LEU 64 - HD3 LYS 24 OK 22 97 - 22 - 1105/3.0=6, 1094/3.0=5...(6) H ALA 25 - HD2 LYS 13 OK 16 92 - 17 - 3.6/1118=3, 6404=2...(8) H ALA 25 - HD3 LYS 12 OK 14 81 - 17 - 1094/3.0=3, 3.6/1118=3...(7) H ALA 25 - HD2 LYS 12 OK 14 81 - 17 - 1094/3.0=3, 3.6/1118=3...(7) H ALA 25 - HD3 LYS 13 OK 13 80 - 17 - 3.6/1118=3, 6404=2...(6) H SER 49 - HD2 LYS 24 poor 9 77 - 12 - 1105/3.0=3, 1094/3.0=2...(5) H SER 49 - HD3 LYS 24 poor 9 77 - 12 - 1105/3.0=3, 1094/3.0=2...(5) H SER 49 - HD2 LYS 12 lone 4 56 - 7 - 6805/5.2=2, 6806/6.2=1 H SER 49 - HD3 LYS 12 lone 4 56 - 7 - 6805/5.2=2, 6806/6.2=1 H LEU 64 - HD2 LYS 13 lone 3 86 - 4 - H LEU 64 - HD3 LYS 12 lone 3 76 - 4 - H LEU 64 - HD2 LYS 12 lone 3 76 - 4 - H LEU 64 - HD3 LYS 13 lone 3 74 - 4 - H SER 49 - HD2 LYS 13 lone 2 65 - 3 - H SER 49 - HD3 LYS 13 lone 1 55 - 2 - Peak 1117 from cnoeabs.peaks (7.57, 1.70, 28.90 ppm; 4.40 A): 2 out of 18 assignments used, quality = 0.98: * H LYS 24 + HD3 LYS 24 OK 85 100 - 85 - 6.3=33, 1095/3.0=18...(19) H LYS 24 + HD2 LYS 24 OK 85 100 - 85 - 6.3=33, 1095/3.0=18...(19) H GLU 88 - HD3 LYS 24 OK 40 100 - 40 - 1095/3.0=8, 1049/4.9=7...(15) H GLU 88 - HD2 LYS 24 OK 40 100 - 40 - 1095/3.0=8, 1049/4.9=7...(15) H LYS 24 - HD2 LYS 13 OK 26 95 - 27 - 3.0/1118=3, ~1118=2...(15) H LYS 24 - HD3 LYS 13 OK 23 86 - 27 - 3.0/1118=3, ~1118=2...(14) H LYS 24 - HD2 LYS 12 OK 22 86 - 26 - 3.0/1056=3, 1084/3.0=2...(13) H LYS 24 - HD3 LYS 12 OK 22 86 - 26 - 3.0/1056=3, 1084/3.0=2...(13) H ILE 76 - HD2 LYS 13 OK 16 76 - 21 - 9650/5.5=4, 7257/3.0=4...(7) H ILE 76 - HD3 LYS 24 OK 15 84 - 18 - 1095/3.0=3, 9644/3.6=2...(6) H ILE 76 - HD2 LYS 24 OK 15 83 - 18 - 1095/3.0=3, 9644/3.6=2...(6) H ILE 76 - HD3 LYS 13 OK 14 66 - 21 - 9650/5.5=4, 7257/3.0=4...(7) H GLU 88 - HD2 LYS 13 OK 13 95 - 13 - ~3870=2, 6386/3.0=1, 3.0/3871=1 H GLU 88 - HD3 LYS 13 OK 11 86 - 13 - ~3870=2, 6386/3.0=1, ~3871=1 H ILE 76 - HD2 LYS 12 poor 8 66 - 12 - 9649/5.2=2, 7257/3.0=2 H ILE 76 - HD3 LYS 12 poor 8 66 - 12 - 9649/5.2=2, 7257/3.0=2 H GLU 88 - HD2 LYS 12 lone 8 85 - 9 - H GLU 88 - HD3 LYS 12 lone 8 85 - 9 - Peak 1118 from cnoeabs.peaks (4.10, 1.70, 28.90 ppm; 3.55 A): 2 out of 12 assignments used, quality = 0.98: * HA LYS 24 + HD3 LYS 24 OK 86 100 - 86 - 4.9=37, 1096/3.0=22...(36) HA LYS 24 + HD2 LYS 24 OK 86 100 - 86 - 4.9=37, 1096/3.0=22...(36) HA LYS 24 - HD2 LYS 13 OK 27 95 - 29 - 1056=3, 1056/1.8=3...(7) HA LYS 24 - HD3 LYS 13 OK 25 86 - 29 - 1056=3, 1056/1.8=3...(7) HA LYS 24 - HD2 LYS 12 OK 24 86 - 28 - 1056=3, 1053/3.0=3...(6) HA LYS 24 - HD3 LYS 12 OK 24 86 - 28 - 1056=3, 1053/3.0=3...(6) HA PRO 86 - HD3 LYS 24 OK 23 90 - 25 - 1096/3.0=4, 1085/3.0=3...(14) HA PRO 86 - HD2 LYS 24 OK 22 89 - 25 - 1096/3.0=4, 1085/3.0=3...(14) HA PRO 86 - HD2 LYS 13 poor 10 82 - 12 - 9894/3.6=1, 9894/3.6=1 HA PRO 86 - HD3 LYS 13 poor 9 72 - 12 - 9894/3.6=1, 9894/3.6=1 HA PRO 86 - HD2 LYS 12 lone 6 71 - 8 - HA PRO 86 - HD3 LYS 12 lone 6 71 - 8 - Peak 1119 from cnoeabs.peaks (1.96, 1.70, 28.90 ppm; 2.79 A): 4 out of 66 assignments used, quality = 1.00: * HB2 LYS 24 + HD3 LYS 24 OK 80 100 - 80 - 3.6=48, 1097/3.0=6...(38) HB3 LYS 24 + HD3 LYS 24 OK 80 100 - 80 - 3.6=48, 1097/3.0=6...(38) HB2 LYS 24 + HD2 LYS 24 OK 80 100 - 80 - 3.6=48, 1097/3.0=6...(38) HB3 LYS 24 + HD2 LYS 24 OK 80 100 - 80 - 3.6=48, 1097/3.0=6...(38) HB2 LYS 73 - HD3 LYS 24 OK 26 99 - 27 - 1098/3.0=2, ~9954=2, 1087/3.0=1 HB2 LYS 73 - HD2 LYS 24 OK 26 99 - 27 - 1098/3.0=2, ~9954=2, 1087/3.0=1 HB3 LYS 73 - HD3 LYS 24 OK 26 98 - 27 - 1098/3.0=2, ~9954=2, 1087/3.0=1 HB3 LYS 73 - HD2 LYS 24 OK 26 98 - 27 - 1098/3.0=2, ~9954=2, 1086/3.0=1 HB2 LYS 47 - HD2 LYS 13 OK 25 92 - 27 - 2138/3.0=1, 2137/3.6=1...(4) HB3 LYS 24 - HD2 LYS 13 OK 24 95 - 25 - 2.9/1102=1, 3.0/1118=1, 1080=1 HB2 LYS 24 - HD2 LYS 13 OK 24 95 - 25 - 2.9/1102=1, 3.0/1118=1, 1080=1 HB2 LYS 47 - HD3 LYS 24 OK 24 98 - 25 - 1098/3.0=1, 1086/3.0=1 HB2 LYS 47 - HD2 LYS 24 OK 24 98 - 25 - 1097/3.0=1, 1086/3.0=1 HB3 LYS 24 - HD3 LYS 12 OK 24 86 - 28 - 2.9/1102=2, 1068=1, 3.0/1056=1 HB2 LYS 24 - HD3 LYS 12 OK 24 86 - 28 - 2.9/1102=2, 1068=1, 3.0/1056=1 HB2 LYS 24 - HD2 LYS 12 OK 24 86 - 28 - 2.9/1102=2, 1068=1, 3.0/1056=1 HB3 LYS 24 - HD2 LYS 12 OK 24 86 - 28 - 2.9/1102=2, 1068=1, 3.0/1056=1 HB2 LYS 47 - HD3 LYS 13 OK 22 82 - 28 - 2138/3.0=1, 2137/3.6=1...(4) HB3 LYS 24 - HD3 LYS 13 OK 22 86 - 25 - 2.9/1102=1, 3.0/1056=1, 1068=1 HB2 LYS 24 - HD3 LYS 13 OK 22 86 - 25 - 2.9/1102=1, 3.0/1056=1, 1068=1 HB2 LYS 73 - HD2 LYS 13 OK 17 93 - 18 - HB3 LYS 73 - HD2 LYS 13 OK 17 92 - 19 - HB2 LYS 73 - HD3 LYS 13 OK 16 83 - 19 - HB3 LYS 73 - HD3 LYS 13 OK 15 82 - 19 - HB2 LYS 73 - HD3 LYS 12 OK 10 83 - 12 - HB2 LYS 73 - HD2 LYS 12 OK 10 83 - 12 - HB3 LYS 73 - HD2 LYS 12 OK 10 81 - 12 - HB3 LYS 73 - HD3 LYS 12 OK 10 81 - 12 - HB2 LYS 47 - HD2 LYS 12 lone 5 81 - 5 - HB2 LYS 47 - HD3 LYS 12 lone 5 81 - 5 - HB3 ARG 46 - HD2 LYS 24 lone 4 100 - 4 - HB3 ARG 46 - HD3 LYS 24 lone 4 100 - 4 - HB3 MET 74 - HD3 LYS 24 lone 4 100 - 4 - HB3 MET 74 - HD2 LYS 24 lone 4 100 - 4 - HB2 ARG 46 - HD3 LYS 24 lone 3 87 - 3 - HB2 ARG 46 - HD2 LYS 24 lone 3 86 - 3 - HB3 MET 74 - HD2 LYS 13 lone 3 95 - 3 - HB3 MET 74 - HD3 LYS 13 lone 2 86 - 3 - HB3 ARG 46 - HD2 LYS 12 lone 2 85 - 2 - HB3 ARG 46 - HD3 LYS 12 lone 2 85 - 2 - HB3 ARG 46 - HD2 LYS 13 lone 2 94 - 2 - HG3 GLU 88 - HD3 LYS 24 lone 2 61 - 3 - HG3 GLU 88 - HD2 LYS 24 lone 2 61 - 3 - HB3 ARG 46 - HD3 LYS 13 lone 2 85 - 2 - HB2 ARG 46 - HD2 LYS 12 lone 2 69 - 2 - HB2 ARG 46 - HD3 LYS 12 lone 2 69 - 2 - HB2 ARG 46 - HD2 LYS 13 lone 2 79 - 2 - HB3 MET 74 - HD2 LYS 12 lone 1 86 - 2 - HB3 MET 74 - HD3 LYS 12 lone 1 86 - 2 - QE MET 1 - HD3 LYS 24 lone 1 81 - 1 - QE MET 1 - HD2 LYS 24 lone 1 80 - 1 - HB2 ARG 46 - HD3 LYS 13 lone 1 69 - 2 - QE MET 1 - HD2 LYS 13 lone 1 73 - 1 - QE MET 1 - HD3 LYS 13 lone 1 63 - 1 - HB2 GLU 37 - HD3 LYS 24 lone 1 77 - 1 - HB2 GLU 37 - HD2 LYS 24 lone 1 77 - 1 - QE MET 1 - HD3 LYS 12 lone 1 63 - 1 - QE MET 1 - HD2 LYS 12 lone 1 63 - 1 - HG3 GLU 88 - HD2 LYS 13 lone 1 54 - 1 - HB2 GLU 37 - HD3 LYS 12 lone 0 60 - 1 - HB2 GLU 37 - HD2 LYS 12 lone 0 60 - 1 - HB2 GLU 37 - HD2 LYS 13 lone 0 69 - 1 - HG3 GLU 88 - HD2 LYS 12 lone 0 46 - 1 - HG3 GLU 88 - HD3 LYS 12 lone 0 46 - 1 - HB2 GLU 37 - HD3 LYS 13 lone 0 60 - 0 - HG3 GLU 88 - HD3 LYS 13 lone 0 47 - 1 - Peak 1120 from cnoeabs.peaks (1.96, 1.70, 28.90 ppm; 2.79 A): 4 out of 66 assignments used, quality = 1.00: HB2 LYS 24 + HD3 LYS 24 OK 80 100 - 80 - 3.6=48, 1097/3.0=6...(38) * HB3 LYS 24 + HD3 LYS 24 OK 80 100 - 80 - 3.6=48, 1097/3.0=6...(38) HB2 LYS 24 + HD2 LYS 24 OK 80 100 - 80 - 3.6=48, 1097/3.0=6...(38) HB3 LYS 24 + HD2 LYS 24 OK 80 100 - 80 - 3.6=48, 1097/3.0=6...(38) HB2 LYS 73 - HD3 LYS 24 OK 26 99 - 27 - 1098/3.0=2, ~9954=2, 1087/3.0=1 HB2 LYS 73 - HD2 LYS 24 OK 26 99 - 27 - 1098/3.0=2, ~9954=2, 1087/3.0=1 HB3 LYS 73 - HD3 LYS 24 OK 26 98 - 27 - 1098/3.0=2, ~9954=2, 1087/3.0=1 HB3 LYS 73 - HD2 LYS 24 OK 26 98 - 27 - 1098/3.0=2, ~9954=2, 1086/3.0=1 HB2 LYS 47 - HD2 LYS 13 OK 25 92 - 27 - 2138/3.0=1, 2137/3.6=1...(4) HB3 LYS 24 - HD2 LYS 13 OK 24 95 - 25 - 2.9/1102=1, 3.0/1118=1, 1080=1 HB2 LYS 24 - HD2 LYS 13 OK 24 95 - 25 - 2.9/1102=1, 3.0/1118=1, 1080=1 HB2 LYS 47 - HD3 LYS 24 OK 24 98 - 25 - 1098/3.0=1, 1086/3.0=1 HB2 LYS 47 - HD2 LYS 24 OK 24 98 - 25 - 1097/3.0=1, 1086/3.0=1 HB3 LYS 24 - HD3 LYS 12 OK 24 86 - 28 - 2.9/1102=2, 1068=1, 3.0/1056=1 HB2 LYS 24 - HD3 LYS 12 OK 24 86 - 28 - 2.9/1102=2, 1068=1, 3.0/1056=1 HB2 LYS 24 - HD2 LYS 12 OK 24 86 - 28 - 2.9/1102=2, 1068=1, 3.0/1056=1 HB3 LYS 24 - HD2 LYS 12 OK 24 86 - 28 - 2.9/1102=2, 1068=1, 3.0/1056=1 HB2 LYS 47 - HD3 LYS 13 OK 22 82 - 28 - 2138/3.0=1, 2137/3.6=1...(4) HB3 LYS 24 - HD3 LYS 13 OK 22 86 - 25 - 2.9/1102=1, 3.0/1056=1, 1068=1 HB2 LYS 24 - HD3 LYS 13 OK 22 86 - 25 - 2.9/1102=1, 3.0/1056=1, 1068=1 HB2 LYS 73 - HD2 LYS 13 OK 17 93 - 18 - HB3 LYS 73 - HD2 LYS 13 OK 17 92 - 19 - HB2 LYS 73 - HD3 LYS 13 OK 16 83 - 19 - HB3 LYS 73 - HD3 LYS 13 OK 15 82 - 19 - HB2 LYS 73 - HD3 LYS 12 OK 10 83 - 12 - HB2 LYS 73 - HD2 LYS 12 OK 10 83 - 12 - HB3 LYS 73 - HD2 LYS 12 OK 10 81 - 12 - HB3 LYS 73 - HD3 LYS 12 OK 10 81 - 12 - HB2 LYS 47 - HD2 LYS 12 lone 5 81 - 5 - HB2 LYS 47 - HD3 LYS 12 lone 5 81 - 5 - HB3 ARG 46 - HD2 LYS 24 lone 4 100 - 4 - HB3 ARG 46 - HD3 LYS 24 lone 4 100 - 4 - HB3 MET 74 - HD3 LYS 24 lone 4 100 - 4 - HB3 MET 74 - HD2 LYS 24 lone 4 100 - 4 - HB2 ARG 46 - HD3 LYS 24 lone 3 87 - 3 - HB2 ARG 46 - HD2 LYS 24 lone 3 86 - 3 - HB3 MET 74 - HD2 LYS 13 lone 3 95 - 3 - HB3 MET 74 - HD3 LYS 13 lone 2 86 - 3 - HB3 ARG 46 - HD2 LYS 12 lone 2 85 - 2 - HB3 ARG 46 - HD3 LYS 12 lone 2 85 - 2 - HB3 ARG 46 - HD2 LYS 13 lone 2 94 - 2 - HG3 GLU 88 - HD3 LYS 24 lone 2 61 - 3 - HG3 GLU 88 - HD2 LYS 24 lone 2 61 - 3 - HB3 ARG 46 - HD3 LYS 13 lone 2 85 - 2 - HB2 ARG 46 - HD2 LYS 12 lone 2 69 - 2 - HB2 ARG 46 - HD3 LYS 12 lone 2 69 - 2 - HB2 ARG 46 - HD2 LYS 13 lone 2 79 - 2 - HB3 MET 74 - HD2 LYS 12 lone 1 86 - 2 - HB3 MET 74 - HD3 LYS 12 lone 1 86 - 2 - QE MET 1 - HD3 LYS 24 lone 1 81 - 1 - QE MET 1 - HD2 LYS 24 lone 1 80 - 1 - HB2 ARG 46 - HD3 LYS 13 lone 1 69 - 2 - QE MET 1 - HD2 LYS 13 lone 1 73 - 1 - QE MET 1 - HD3 LYS 13 lone 1 63 - 1 - HB2 GLU 37 - HD3 LYS 24 lone 1 77 - 1 - HB2 GLU 37 - HD2 LYS 24 lone 1 77 - 1 - QE MET 1 - HD3 LYS 12 lone 1 63 - 1 - QE MET 1 - HD2 LYS 12 lone 1 63 - 1 - HG3 GLU 88 - HD2 LYS 13 lone 1 54 - 1 - HB2 GLU 37 - HD3 LYS 12 lone 0 60 - 1 - HB2 GLU 37 - HD2 LYS 12 lone 0 60 - 1 - HB2 GLU 37 - HD2 LYS 13 lone 0 69 - 1 - HG3 GLU 88 - HD2 LYS 12 lone 0 46 - 1 - HG3 GLU 88 - HD3 LYS 12 lone 0 46 - 1 - HB2 GLU 37 - HD3 LYS 13 lone 0 60 - 0 - HG3 GLU 88 - HD3 LYS 13 lone 0 47 - 1 - Peak 1121 from cnoeabs.peaks (1.59, 1.70, 28.90 ppm; 2.40 A): 4 out of 78 assignments used, quality = 0.99: * HG2 LYS 24 + HD3 LYS 24 OK 73 100 - 73 - 3.0=54, 1.8/1101=7...(16) HG2 LYS 24 + HD2 LYS 24 OK 73 100 - 73 - 3.0=54, 1.8/1101=7...(16) HG3 LYS 12 + HD2 LYS 12 OK 59 78 - 75 - 3.0=52, 1.8/422=7...(22) HG3 LYS 12 + HD3 LYS 12 OK 59 78 - 75 - 3.0=52, 1.8/422=7...(22) HG3 LYS 12 - HD3 LYS 24 OK 19 96 - 20 - 1.8/422=2, 1099/3.0=2, 433=1 HG3 LYS 12 - HD2 LYS 24 OK 19 95 - 20 - 1.8/421=2, 1099/3.0=2, 433=1 HG3 LYS 12 - HD2 LYS 13 OK 19 88 - 21 - 1.8/421=2, 433=1, ~422=1, ~421=1 HG2 LYS 24 - HD3 LYS 12 OK 19 86 - 22 - 1.8/1102=2, 464/3.0=2...(4) HG2 LYS 24 - HD2 LYS 12 OK 19 86 - 22 - 1.8/1102=2, 464/3.0=2...(4) HG3 LYS 90 - HD3 LYS 24 OK 17 100 - 17 - 1099/3.0=2, 1.8/3953=1, 3964=1 HG3 LYS 90 - HD2 LYS 24 OK 17 100 - 17 - 1099/3.0=2, 1.8/3953=1, 3964=1 HG3 LYS 12 - HD3 LYS 13 OK 17 79 - 21 - 1.8/421=2, 433=1, ~422=1, ~421=1 HG2 LYS 24 - HD2 LYS 13 OK 17 95 - 18 - 1.8/1102=2, 1091=1 HG2 LYS 24 - HD3 LYS 13 OK 15 86 - 17 - 1.8/1102=2, 1091=1 HG3 LYS 73 - HD3 LYS 24 OK 14 87 - 17 - 1099/3.0=2, 432=1 HG3 LYS 73 - HD2 LYS 24 OK 14 86 - 17 - 1099/3.0=2, 432=1 HG3 LYS 90 - HD3 LYS 12 OK 14 85 - 16 - 1.8/3953=1, 2.9/3975=1, 3964=1 HG3 LYS 90 - HD2 LYS 12 OK 14 85 - 16 - 1.8/3953=1, 2.9/3975=1, 3964=1 HD2 LYS 66 - HD3 LYS 12 OK 12 60 - 21 - 2937=2, 420/3.0=2...(7) HD2 LYS 66 - HD2 LYS 12 OK 12 60 - 21 - 2937=2, 420/3.0=2...(7) HG3 LYS 73 - HD2 LYS 13 OK 10 79 - 13 - HG3 LYS 73 - HD3 LYS 13 poor 9 69 - 13 - HG3 LYS 73 - HD2 LYS 12 lone 7 69 - 10 - HG3 LYS 73 - HD3 LYS 12 lone 7 69 - 10 - HB3 LEU 29 - HD3 LYS 12 lone 6 74 - 9 - 420/3.0=1 HB3 LEU 29 - HD2 LYS 12 lone 6 74 - 9 - 420/3.0=1 HG LEU 27 - HD3 LYS 12 lone 6 69 - 9 - HG LEU 27 - HD2 LYS 12 lone 6 69 - 9 - HD2 LYS 66 - HD3 LYS 24 lone 6 77 - 7 - HD2 LYS 66 - HD2 LYS 24 lone 6 77 - 7 - HD2 LYS 66 - HD2 LYS 13 lone 5 69 - 7 - HD2 LYS 66 - HD3 LYS 13 lone 4 60 - 7 - HG3 LYS 90 - HD2 LYS 13 lone 3 95 - 3 - HG3 LYS 90 - HD3 LYS 13 lone 3 86 - 3 - HB2 LEU 103 - HD3 LYS 24 lone 3 100 - 3 - HB2 LEU 103 - HD2 LYS 24 lone 3 100 - 3 - HG LEU 103 - HD3 LYS 24 lone 3 99 - 3 - HG LEU 103 - HD2 LYS 24 lone 3 99 - 3 - HD3 LYS 94 - HD3 LYS 12 lone 2 69 - 3 - HD3 LYS 94 - HD2 LYS 12 lone 2 69 - 3 - HD3 LYS 94 - HD2 LYS 13 lone 2 79 - 2 - HD3 LYS 94 - HD3 LYS 24 lone 1 87 - 2 - HG LEU 27 - HD3 LYS 24 lone 1 87 - 2 - HD3 LYS 94 - HD2 LYS 24 lone 1 86 - 2 - HG LEU 27 - HD2 LYS 24 lone 1 86 - 2 - HD3 LYS 94 - HD3 LYS 13 lone 1 69 - 2 - HB3 LEU 29 - HD2 LYS 13 lone 1 84 - 2 - HG2 ARG 19 - HD3 LYS 12 lone 1 86 - 1 - HG2 ARG 19 - HD2 LYS 12 lone 1 86 - 1 - HB3 LEU 29 - HD3 LYS 13 lone 1 74 - 2 - HG2 ARG 19 - HD3 LYS 24 lone 1 100 - 1 - HG2 ARG 19 - HD2 LYS 24 lone 1 100 - 1 - HB2 LEU 103 - HD3 LYS 12 lone 1 86 - 1 - HB2 LEU 103 - HD2 LYS 12 lone 1 86 - 1 - HB3 LEU 29 - HD3 LYS 24 lone 1 92 - 1 - HB3 LEU 29 - HD2 LYS 24 lone 1 91 - 1 - HG2 ARG 19 - HD2 LYS 13 lone 1 95 - 1 - HG LEU 103 - HD3 LYS 12 lone 1 84 - 1 - HG LEU 103 - HD2 LYS 12 lone 1 84 - 1 - HG LEU 27 - HD2 LYS 13 lone 1 79 - 1 - HG2 ARG 19 - HD3 LYS 13 lone 1 86 - 1 - HG LEU 27 - HD3 LYS 13 lone 1 69 - 1 - HB2 ARG 30 - HD2 LYS 12 lone 1 53 - 1 - HB2 ARG 30 - HD3 LYS 12 lone 1 53 - 1 - HB2 LEU 103 - HD2 LYS 13 lone 0 95 - 0 - HB2 LEU 103 - HD3 LYS 13 lone 0 86 - 0 - HB2 ARG 79 - HD2 LYS 12 lone 0 63 - 1 - HB2 ARG 79 - HD3 LYS 12 lone 0 63 - 1 - HG LEU 103 - HD2 LYS 13 lone 0 94 - 0 - HB2 ARG 30 - HD3 LYS 24 lone 0 70 - 0 - HG LEU 103 - HD3 LYS 13 lone 0 85 - 0 - HB2 ARG 30 - HD2 LYS 24 lone 0 69 - 0 - HB2 ARG 79 - HD3 LYS 24 lone 0 81 - 0 - HB2 ARG 79 - HD2 LYS 24 lone 0 80 - 0 - HB2 ARG 30 - HD2 LYS 13 lone 0 62 - 0 - HB2 ARG 79 - HD2 LYS 13 lone 0 73 - 0 - HB2 ARG 79 - HD3 LYS 13 lone 0 63 - 0 - HB2 ARG 30 - HD3 LYS 13 lone 0 54 - 0 - Peak 1122 from cnoeabs.peaks (1.51, 1.70, 28.90 ppm; 2.42 A): 4 out of 84 assignments used, quality = 0.99: * HG3 LYS 24 + HD3 LYS 24 OK 76 100 - 76 - 3.0=55, 1101/1.8=7...(18) HG3 LYS 24 + HD2 LYS 24 OK 76 100 - 76 - 3.0=55, 1101/1.8=7...(18) HG3 LYS 13 + HD2 LYS 13 OK 58 82 - 71 - 3.0=55, 1.8/524=6...(11) HG3 LYS 13 + HD3 LYS 13 OK 51 72 - 71 - 3.0=55, 1.8/524=6...(13) HG3 LYS 24 - HD3 LYS 12 OK 19 86 - 23 - 1102=3, 1102/1.8=2...(4) HG3 LYS 24 - HD2 LYS 12 OK 19 86 - 23 - 1102=3, 1102/1.8=2...(4) HG3 LYS 24 - HD2 LYS 13 OK 19 95 - 20 - 1102=3, 1102/1.8=2...(5) HG3 LYS 13 - HD3 LYS 12 OK 18 71 - 25 - 1.8/524=2, 535=2...(7) HG3 LYS 13 - HD2 LYS 12 OK 18 71 - 25 - 1.8/524=2, 535=2...(7) HG3 LYS 24 - HD3 LYS 13 OK 17 86 - 20 - 1102=3, 1102/1.8=2...(5) HG3 LYS 13 - HD3 LYS 24 OK 17 90 - 19 - 1.8/524=2, 535=2 HG3 LYS 13 - HD2 LYS 24 OK 17 89 - 19 - 1.8/524=2, 535=2 HG3 LYS 66 - HD2 LYS 12 OK 13 60 - 22 - 2.9/2937=2, 3.0/2892=1...(5) HG3 LYS 66 - HD3 LYS 12 OK 13 60 - 22 - 2.9/2937=2, 3.0/2892=1...(5) HG2 LYS 66 - HD2 LYS 12 OK 12 53 - 22 - 2.9/2937=2, 3.0/2892=1...(5) HG2 LYS 66 - HD3 LYS 12 OK 12 53 - 22 - 2.9/2937=2, 3.0/2892=1...(5) HG2 LYS 73 - HD3 LYS 24 OK 11 73 - 15 - 535=1 HG2 LYS 73 - HD2 LYS 24 OK 11 73 - 15 - 535=1 HG2 LYS 47 - HD3 LYS 24 OK 11 70 - 15 - 535=1 HG2 LYS 47 - HD2 LYS 24 OK 11 69 - 15 - HG2 LYS 47 - HD2 LYS 13 OK 10 62 - 17 - 522/3.0=2, 535=1 HG3 LYS 33 - HD2 LYS 13 lone 9 94 - 10 - 522/3.0=1, 1102=1 HG2 LYS 47 - HD3 LYS 13 poor 9 54 - 17 - 522/3.0=2, 535=1 HG3 LYS 33 - HD3 LYS 13 lone 8 85 - 10 - 522/3.0=1, 1102=1 HG2 LYS 73 - HD2 LYS 13 poor 8 66 - 12 - 535=1 HG LEU 2 - HD3 LYS 24 lone 8 97 - 8 - 70=1 HG LEU 2 - HD2 LYS 24 lone 8 97 - 8 - 70=1 HB2 LEU 14 - HD2 LYS 13 poor 8 73 - 11 - 3.8/6194=1 HG LEU 2 - HD2 LYS 13 lone 8 90 - 8 - 70=1 HG2 LYS 73 - HD3 LYS 13 poor 7 57 - 12 - 535=1 HG3 LYS 66 - HD3 LYS 24 lone 7 77 - 9 - HG3 LYS 66 - HD2 LYS 24 lone 7 77 - 9 - HG LEU 2 - HD3 LYS 13 lone 7 81 - 8 - 70=1 HB2 LEU 14 - HD3 LYS 13 poor 7 63 - 11 - 3.8/6194=1 HG3 LYS 66 - HD2 LYS 13 lone 6 69 - 9 - HG3 LYS 33 - HD3 LYS 24 lone 6 99 - 6 - HG3 LYS 33 - HD2 LYS 24 lone 6 99 - 6 - HG2 LYS 66 - HD3 LYS 24 lone 6 70 - 9 - HG2 LYS 66 - HD2 LYS 24 lone 6 69 - 9 - HG2 LYS 66 - HD2 LYS 13 lone 6 62 - 9 - HG3 LYS 66 - HD3 LYS 13 lone 6 60 - 9 - HG2 LYS 66 - HD3 LYS 13 lone 5 54 - 9 - HG2 LYS 73 - HD2 LYS 12 lone 5 56 - 9 - HG2 LYS 73 - HD3 LYS 12 lone 5 56 - 9 - HG LEU 2 - HD2 LYS 12 lone 4 80 - 5 - HG LEU 2 - HD3 LYS 12 lone 4 80 - 5 - HB2 LEU 14 - HD3 LYS 24 lone 4 81 - 5 - HB2 LEU 14 - HD2 LYS 24 lone 4 80 - 5 - HG3 LYS 33 - HD2 LYS 12 lone 4 84 - 4 - HG3 LYS 33 - HD3 LYS 12 lone 4 84 - 4 - HB ILE 7 - HD2 LYS 13 lone 3 73 - 5 - HB ILE 7 - HD3 LYS 13 lone 3 63 - 5 - HB2 LEU 14 - HD3 LYS 12 lone 3 63 - 4 - HB2 LEU 14 - HD2 LYS 12 lone 3 63 - 4 - HG LEU 57 - HD2 LYS 13 lone 2 90 - 3 - HG LEU 57 - HD3 LYS 13 lone 2 81 - 3 - HB3 LEU 103 - HD3 LYS 24 lone 2 77 - 3 - HB3 LEU 103 - HD2 LYS 24 lone 2 77 - 3 - HG2 LYS 47 - HD3 LYS 12 lone 2 53 - 3 - HG2 LYS 47 - HD2 LYS 12 lone 2 53 - 3 - HB ILE 7 - HD3 LYS 12 lone 2 63 - 2 - HB ILE 7 - HD2 LYS 12 lone 2 63 - 2 - HG LEU 57 - HD3 LYS 24 lone 1 97 - 1 - HG LEU 57 - HD2 LYS 24 lone 1 97 - 1 - HB ILE 7 - HD3 LYS 24 lone 1 81 - 1 - HB ILE 7 - HD2 LYS 24 lone 1 80 - 1 - HB3 LEU 64 - HD3 LYS 24 lone 1 65 - 1 - HB3 LEU 64 - HD2 LYS 24 lone 1 65 - 1 - HB3 LEU 64 - HD2 LYS 13 lone 1 58 - 1 - HB3 LEU 64 - HD3 LYS 13 lone 1 50 - 1 - HB3 LEU 103 - HD2 LYS 12 lone 0 60 - 1 - HB3 LEU 103 - HD3 LYS 12 lone 0 60 - 1 - HG LEU 57 - HD3 LYS 12 lone 0 80 - 1 - HG LEU 57 - HD2 LYS 12 lone 0 80 - 1 - HG LEU 6 - HD3 LYS 24 lone 0 70 - 1 - HG LEU 6 - HD2 LYS 24 lone 0 69 - 1 - HG LEU 6 - HD2 LYS 13 lone 0 62 - 1 - HG LEU 6 - HD2 LYS 12 lone 0 53 - 1 - HG LEU 6 - HD3 LYS 12 lone 0 53 - 1 - HB3 LEU 103 - HD2 LYS 13 lone 0 69 - 0 - HB3 LEU 64 - HD2 LYS 12 lone 0 50 - 1 - HB3 LEU 64 - HD3 LYS 12 lone 0 50 - 1 - HG LEU 6 - HD3 LYS 13 lone 0 54 - 1 - HB3 LEU 103 - HD3 LYS 13 lone 0 60 - 0 - Peak 1123 from cnoeabs.peaks (1.70, 1.70, 28.90 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 93 93 - 100 HD2 LYS 12 + HD2 LYS 12 OK 83 83 - 100 HD3 LYS 12 + HD3 LYS 12 OK 83 83 - 100 HD3 LYS 13 + HD3 LYS 13 OK 81 81 - 100 Reference assignment not found: HD2 LYS 24 - HD3 LYS 24 Peak 1124 from cnoeabs.peaks (1.70, 1.70, 28.90 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 94 94 - 100 HD2 LYS 12 + HD2 LYS 12 OK 84 84 - 100 HD3 LYS 12 + HD3 LYS 12 OK 84 84 - 100 HD3 LYS 13 + HD3 LYS 13 OK 82 82 - 100 Peak 1125 from cnoeabs.peaks (2.96, 1.70, 28.90 ppm; 2.84 A): 10 out of 66 assignments used, quality = 1.00: * HE2 LYS 24 + HD3 LYS 24 OK 93 100 - 93 - 3.0=87, 3.7/1101=4...(29) HE3 LYS 24 + HD3 LYS 24 OK 93 100 - 93 - 3.0=87, 3.7/1101=4...(29) HE2 LYS 24 + HD2 LYS 24 OK 92 100 - 93 - 3.0=87, 3.7/1101=4...(29) HE3 LYS 24 + HD2 LYS 24 OK 92 100 - 93 - 3.0=87, 3.7/1101=4...(29) HE2 LYS 13 + HD2 LYS 13 OK 89 95 - 94 - 2.9=90, 3.8/524=4...(21) HE3 LYS 13 + HD2 LYS 13 OK 88 94 - 94 - 2.9=90, 3.8/524=4...(21) HE2 LYS 13 + HD3 LYS 13 OK 81 86 - 94 - 2.9=90, 3.8/524=4...(21) HE3 LYS 13 + HD3 LYS 13 OK 79 85 - 94 - 2.9=90, 3.8/524=4...(21) HE3 LYS 12 + HD2 LYS 12 OK 78 85 - 93 - 3.0=86, 1.8/466=9...(16) HE3 LYS 12 + HD3 LYS 12 OK 78 85 - 93 - 3.0=86, 1.8/466=9...(16) HE2 LYS 13 - HD2 LYS 12 OK 23 85 - 27 - 468/3.0=2, 424/3.0=2...(5) HE2 LYS 13 - HD3 LYS 12 OK 23 85 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 13 - HD3 LYS 12 OK 22 84 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 13 - HD2 LYS 12 OK 22 84 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 12 - HD2 LYS 13 OK 22 94 - 23 - 1.8/466=3, ~463=2...(8) HE3 LYS 12 - HD2 LYS 24 OK 21 100 - 22 - 1.8/465=2, ~464=2...(6) HE3 LYS 12 - HD3 LYS 24 OK 21 100 - 22 - 1.8/466=2, ~464=2...(7) HE3 LYS 24 - HD3 LYS 12 OK 20 86 - 24 - 468/3.0=2, 424/3.0=2...(4) HE3 LYS 24 - HD2 LYS 12 OK 20 86 - 24 - 468/3.0=2, 424/3.0=2...(4) HE2 LYS 24 - HD3 LYS 12 OK 20 86 - 24 - 468/3.0=2, 424/3.0=2...(4) HE2 LYS 24 - HD2 LYS 12 OK 20 86 - 24 - 468/3.0=2, 424/3.0=2...(4) HE3 LYS 12 - HD3 LYS 13 OK 20 85 - 23 - 1.8/465=3, ~463=2...(8) HE2 LYS 13 - HD3 LYS 24 OK 18 100 - 18 - 1104/3.0=1, 3.8/524=1 HE2 LYS 13 - HD2 LYS 24 OK 18 100 - 18 - 1104/3.0=1, 3.8/524=1 HE3 LYS 13 - HD3 LYS 24 OK 18 99 - 18 - 1104/3.0=1, 3.8/524=1 HE3 LYS 13 - HD2 LYS 24 OK 18 99 - 18 - 1103/3.0=1, 3.8/524=1 HE3 LYS 24 - HD2 LYS 13 OK 17 95 - 18 - 525/3.0=1 HE2 LYS 24 - HD2 LYS 13 OK 17 95 - 18 - 525/3.0=1 HE2 LYS 24 - HD3 LYS 13 OK 16 86 - 18 - 525/3.0=1 HE3 LYS 24 - HD3 LYS 13 OK 16 86 - 18 - 525/3.0=1 HE2 LYS 73 - HD3 LYS 24 poor 10 90 - 11 - 1104/3.0=1 HE2 LYS 73 - HD2 LYS 24 poor 10 89 - 11 - 1104/3.0=1 HE2 LYS 47 - HD3 LYS 24 poor 9 87 - 11 - HE3 LYS 47 - HD3 LYS 24 poor 9 87 - 11 - HE2 LYS 47 - HD2 LYS 13 poor 9 79 - 12 - HE3 LYS 47 - HD2 LYS 13 poor 9 79 - 12 - HE2 LYS 47 - HD2 LYS 24 poor 9 86 - 11 - HE3 LYS 47 - HD2 LYS 24 poor 9 86 - 11 - HE3 LYS 47 - HD3 LYS 13 poor 8 69 - 12 - HE2 LYS 47 - HD3 LYS 13 poor 8 69 - 12 - HE3 LYS 73 - HD3 LYS 24 poor 8 73 - 11 - HE3 LYS 73 - HD2 LYS 24 poor 8 73 - 11 - HE2 LYS 73 - HD2 LYS 13 lone 5 82 - 7 - HE2 LYS 73 - HD3 LYS 13 lone 5 72 - 6 - HE3 LYS 73 - HD2 LYS 13 lone 5 66 - 7 - HE3 LYS 73 - HD3 LYS 13 lone 4 57 - 7 - HE2 LYS 73 - HD3 LYS 12 lone 4 71 - 5 - HE2 LYS 73 - HD2 LYS 12 lone 4 71 - 5 - HE3 LYS 73 - HD2 LYS 12 lone 3 56 - 5 - HE3 LYS 73 - HD3 LYS 12 lone 3 56 - 5 - HE2 LYS 47 - HD3 LYS 12 lone 3 69 - 4 - HE3 LYS 47 - HD3 LYS 12 lone 3 69 - 4 - HE3 LYS 47 - HD2 LYS 12 lone 3 69 - 4 - HE2 LYS 47 - HD2 LYS 12 lone 3 69 - 4 - HB3 PHE 45 - HD3 LYS 12 lone 1 83 - 1 - HB3 PHE 45 - HD2 LYS 12 lone 1 83 - 1 - HB3 PHE 45 - HD2 LYS 13 lone 1 93 - 1 - HB2 ASN 51 - HD2 LYS 13 lone 1 66 - 2 - HB3 PHE 45 - HD3 LYS 13 lone 1 83 - 1 - HB3 PHE 45 - HD2 LYS 24 lone 1 99 - 1 - HB3 PHE 45 - HD3 LYS 24 lone 1 99 - 1 - HB2 ASN 51 - HD3 LYS 13 lone 1 57 - 2 - HB2 ASN 51 - HD3 LYS 24 lone 1 73 - 1 - HB2 ASN 51 - HD2 LYS 24 lone 1 73 - 1 - HB2 ASN 51 - HD3 LYS 12 lone 0 56 - 1 - HB2 ASN 51 - HD2 LYS 12 lone 0 56 - 1 - Peak 1126 from cnoeabs.peaks (2.96, 1.70, 28.90 ppm; 2.84 A): 10 out of 66 assignments used, quality = 1.00: HE2 LYS 24 + HD3 LYS 24 OK 93 100 - 93 - 3.0=87, 3.7/1101=4...(29) * HE3 LYS 24 + HD3 LYS 24 OK 93 100 - 93 - 3.0=87, 3.7/1101=4...(29) HE2 LYS 24 + HD2 LYS 24 OK 92 100 - 93 - 3.0=87, 3.7/1101=4...(29) HE3 LYS 24 + HD2 LYS 24 OK 92 100 - 93 - 3.0=87, 3.7/1101=4...(29) HE2 LYS 13 + HD2 LYS 13 OK 89 95 - 94 - 2.9=90, 3.8/524=4...(21) HE3 LYS 13 + HD2 LYS 13 OK 88 94 - 94 - 2.9=90, 3.8/524=4...(21) HE2 LYS 13 + HD3 LYS 13 OK 81 86 - 94 - 2.9=90, 3.8/524=4...(21) HE3 LYS 13 + HD3 LYS 13 OK 79 85 - 94 - 2.9=90, 3.8/524=4...(21) HE3 LYS 12 + HD2 LYS 12 OK 78 85 - 93 - 3.0=86, 1.8/466=9...(16) HE3 LYS 12 + HD3 LYS 12 OK 78 85 - 93 - 3.0=86, 1.8/466=9...(16) HE2 LYS 13 - HD2 LYS 12 OK 23 85 - 27 - 468/3.0=2, 424/3.0=2...(5) HE2 LYS 13 - HD3 LYS 12 OK 23 85 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 13 - HD3 LYS 12 OK 22 84 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 13 - HD2 LYS 12 OK 22 84 - 27 - 468/3.0=2, 424/3.0=2...(5) HE3 LYS 12 - HD2 LYS 13 OK 22 94 - 23 - 1.8/466=3, ~463=2...(8) HE3 LYS 12 - HD2 LYS 24 OK 21 100 - 22 - 1.8/465=2, ~464=2...(6) HE3 LYS 12 - HD3 LYS 24 OK 21 100 - 22 - 1.8/466=2, ~464=2...(7) HE3 LYS 24 - HD3 LYS 12 OK 20 86 - 24 - 468/3.0=2, 424/3.0=2...(4) HE3 LYS 24 - HD2 LYS 12 OK 20 86 - 24 - 468/3.0=2, 424/3.0=2...(4) HE2 LYS 24 - HD3 LYS 12 OK 20 86 - 24 - 468/3.0=2, 424/3.0=2...(4) HE2 LYS 24 - HD2 LYS 12 OK 20 86 - 24 - 468/3.0=2, 424/3.0=2...(4) HE3 LYS 12 - HD3 LYS 13 OK 20 85 - 23 - 1.8/465=3, ~463=2...(8) HE2 LYS 13 - HD3 LYS 24 OK 18 100 - 18 - 1104/3.0=1, 3.8/524=1 HE2 LYS 13 - HD2 LYS 24 OK 18 100 - 18 - 1104/3.0=1, 3.8/524=1 HE3 LYS 13 - HD3 LYS 24 OK 18 99 - 18 - 1104/3.0=1, 3.8/524=1 HE3 LYS 13 - HD2 LYS 24 OK 18 99 - 18 - 1103/3.0=1, 3.8/524=1 HE3 LYS 24 - HD2 LYS 13 OK 17 95 - 18 - 525/3.0=1 HE2 LYS 24 - HD2 LYS 13 OK 17 95 - 18 - 525/3.0=1 HE2 LYS 24 - HD3 LYS 13 OK 16 86 - 18 - 525/3.0=1 HE3 LYS 24 - HD3 LYS 13 OK 16 86 - 18 - 525/3.0=1 HE2 LYS 73 - HD3 LYS 24 poor 10 90 - 11 - 1104/3.0=1 HE2 LYS 73 - HD2 LYS 24 poor 10 89 - 11 - 1104/3.0=1 HE2 LYS 47 - HD3 LYS 24 poor 9 87 - 11 - HE3 LYS 47 - HD3 LYS 24 poor 9 87 - 11 - HE2 LYS 47 - HD2 LYS 13 poor 9 79 - 12 - HE3 LYS 47 - HD2 LYS 13 poor 9 79 - 12 - HE2 LYS 47 - HD2 LYS 24 poor 9 86 - 11 - HE3 LYS 47 - HD2 LYS 24 poor 9 86 - 11 - HE3 LYS 47 - HD3 LYS 13 poor 8 69 - 12 - HE2 LYS 47 - HD3 LYS 13 poor 8 69 - 12 - HE3 LYS 73 - HD3 LYS 24 poor 8 73 - 11 - HE3 LYS 73 - HD2 LYS 24 poor 8 73 - 11 - HE2 LYS 73 - HD2 LYS 13 lone 5 82 - 7 - HE2 LYS 73 - HD3 LYS 13 lone 5 72 - 6 - HE3 LYS 73 - HD2 LYS 13 lone 5 66 - 7 - HE3 LYS 73 - HD3 LYS 13 lone 4 57 - 7 - HE2 LYS 73 - HD3 LYS 12 lone 4 71 - 5 - HE2 LYS 73 - HD2 LYS 12 lone 4 71 - 5 - HE3 LYS 73 - HD2 LYS 12 lone 3 56 - 5 - HE3 LYS 73 - HD3 LYS 12 lone 3 56 - 5 - HE2 LYS 47 - HD3 LYS 12 lone 3 69 - 4 - HE3 LYS 47 - HD3 LYS 12 lone 3 69 - 4 - HE3 LYS 47 - HD2 LYS 12 lone 3 69 - 4 - HE2 LYS 47 - HD2 LYS 12 lone 3 69 - 4 - HB3 PHE 45 - HD3 LYS 12 lone 1 83 - 1 - HB3 PHE 45 - HD2 LYS 12 lone 1 83 - 1 - HB3 PHE 45 - HD2 LYS 13 lone 1 93 - 1 - HB2 ASN 51 - HD2 LYS 13 lone 1 66 - 2 - HB3 PHE 45 - HD3 LYS 13 lone 1 83 - 1 - HB3 PHE 45 - HD2 LYS 24 lone 1 99 - 1 - HB3 PHE 45 - HD3 LYS 24 lone 1 99 - 1 - HB2 ASN 51 - HD3 LYS 13 lone 1 57 - 2 - HB2 ASN 51 - HD3 LYS 24 lone 1 73 - 1 - HB2 ASN 51 - HD2 LYS 24 lone 1 73 - 1 - HB2 ASN 51 - HD3 LYS 12 lone 0 56 - 1 - HB2 ASN 51 - HD2 LYS 12 lone 0 56 - 1 - Peak 1127 from cnoeabs.peaks (7.71, 1.70, 28.90 ppm; 5.16 A): 2 out of 18 assignments used, quality = 0.97: * H ALA 25 + HD3 LYS 24 OK 84 100 - 84 - 6398/4.9=27, 1105/3.0=21...(13) H ALA 25 + HD2 LYS 24 OK 84 100 - 84 - 6398/4.9=27, 1105/3.0=21...(13) H LEU 64 - HD3 LYS 24 OK 24 97 - 25 - 1105/3.0=7, 1094/3.0=6...(6) H LEU 64 - HD2 LYS 24 OK 24 97 - 25 - 1105/3.0=7, 1094/3.0=6...(6) H ALA 25 - HD2 LYS 13 OK 18 95 - 19 - 3.6/1118=3, 6404=2...(8) H ALA 25 - HD2 LYS 12 OK 16 86 - 19 - 1094/3.0=3, 3.6/1118=3...(7) H ALA 25 - HD3 LYS 12 OK 16 86 - 19 - 1094/3.0=3, 3.6/1118=3...(7) H ALA 25 - HD3 LYS 13 OK 16 86 - 18 - 3.6/1118=3, 6404=2...(8) H SER 49 - HD3 LYS 24 OK 10 77 - 13 - 1105/3.0=3, 1094/3.0=2...(5) H SER 49 - HD2 LYS 24 OK 10 77 - 13 - 1105/3.0=3, 1094/3.0=2...(5) H SER 49 - HD2 LYS 12 lone 5 60 - 8 - 6805/5.2=2, 6806/6.2=1 H SER 49 - HD3 LYS 12 lone 5 60 - 8 - 6805/5.2=2, 6806/6.2=1 H LEU 64 - HD2 LYS 13 lone 4 90 - 4 - H LEU 64 - HD3 LYS 12 lone 4 80 - 5 - H LEU 64 - HD2 LYS 12 lone 4 80 - 5 - H LEU 64 - HD3 LYS 13 lone 3 81 - 4 - H SER 49 - HD2 LYS 13 lone 2 69 - 3 - H SER 49 - HD3 LYS 13 lone 2 60 - 3 - Peak 1128 from cnoeabs.peaks (7.57, 2.96, 41.80 ppm; 5.97 A): 2 out of 15 assignments used, quality = 0.99: * H LYS 24 + HE2 LYS 24 OK 90 100 - 90 - 7.4=53, 1095/3.7=25...(15) H LYS 24 + HE3 LYS 24 OK 90 100 - 90 - 7.4=53, 1095/3.7=25...(15) H GLU 88 - HE2 LYS 24 OK 45 100 - 45 - 1095/3.7=11, 1049/6.2=9...(10) H GLU 88 - HE3 LYS 24 OK 45 100 - 45 - 1095/3.7=11, 1049/6.2=9...(10) H LYS 24 - HE2 LYS 13 OK 39 99 - 39 - 3.0/1058=4, 6389=3...(17) H LYS 24 - HE3 LYS 13 OK 37 96 - 39 - 3.0/1057=4, 6390=3...(17) H LYS 24 - HE3 LYS 12 OK 27 98 - 28 - 5.1/1104=3, 1084/4.0=3...(13) H ILE 76 - HE2 LYS 13 OK 23 82 - 28 - 9650/6.0=7, 7257/3.8=5...(9) H ILE 76 - HE3 LYS 13 OK 21 76 - 28 - 9650/6.0=7, 7257/3.8=5...(9) H ILE 76 - HE3 LYS 24 OK 19 84 - 23 - 1095/3.7=4, 1084/3.7=3...(8) H ILE 76 - HE2 LYS 24 OK 19 84 - 23 - 1095/3.7=4, 1084/3.7=3...(8) H GLU 88 - HE2 LYS 13 OK 15 99 - 15 - 6386/3.8=2, 6377/6.0=2...(7) H GLU 88 - HE3 LYS 13 OK 15 95 - 15 - 6386/3.8=2, 6377/6.0=2...(7) H ILE 76 - HE3 LYS 12 OK 14 80 - 17 - 9649/6.3=3, 6161/7.3=2...(5) H GLU 88 - HE3 LYS 12 lone 8 98 - 8 - 1084/4.0=1 Peak 1130 from cnoeabs.peaks (1.96, 2.96, 41.80 ppm; 3.30 A): 4 out of 55 assignments used, quality = 1.00: HB2 LYS 24 + HE3 LYS 24 OK 74 100 - 74 - 4.9=30, 1097/3.7=7...(43) * HB2 LYS 24 + HE2 LYS 24 OK 74 100 - 74 - 4.9=30, 1097/3.7=7...(43) HB3 LYS 24 + HE3 LYS 24 OK 74 100 - 74 - 4.9=30, 1097/3.7=7...(43) HB3 LYS 24 + HE2 LYS 24 OK 74 100 - 74 - 4.9=30, 1097/3.7=7...(43) HB2 LYS 47 - HE3 LYS 24 OK 31 98 - 32 - 3.0/2176=2, 1097/3.7=1...(14) HB2 LYS 47 - HE2 LYS 24 OK 31 98 - 32 - 3.0/2176=2, 1097/3.7=1...(14) HB3 LYS 24 - HE2 LYS 13 OK 30 99 - 30 - 2.9/1104=2, 3.0/1058=1...(5) HB2 LYS 24 - HE2 LYS 13 OK 30 99 - 30 - 2.9/1104=2, 3.0/1058=1...(5) HB3 LYS 24 - HE3 LYS 13 OK 29 96 - 30 - 2.9/1103=2, 3.0/1057=1...(5) HB2 LYS 24 - HE3 LYS 13 OK 29 96 - 30 - 2.9/1103=2, 3.0/1057=1...(5) HB2 LYS 47 - HE2 LYS 13 OK 29 97 - 30 - 2138/3.8=2, 3.0/2176=2...(8) HB2 LYS 47 - HE3 LYS 13 OK 27 92 - 30 - 2138/3.8=2, 3.0/2176=1...(8) HB2 LYS 73 - HE2 LYS 24 OK 26 99 - 26 - 1098/3.7=2, 1087/3.7=2 HB2 LYS 73 - HE3 LYS 24 OK 26 99 - 26 - 1098/3.7=2, 1087/3.7=2 HB3 LYS 73 - HE2 LYS 24 OK 26 98 - 26 - 1097/3.7=2, 1087/3.7=2 HB3 LYS 73 - HE3 LYS 24 OK 26 98 - 26 - 1097/3.7=2, 1087/3.7=2 HB2 LYS 73 - HE2 LYS 13 OK 24 98 - 24 - HB3 LYS 73 - HE2 LYS 13 OK 24 97 - 24 - HB2 LYS 73 - HE3 LYS 13 OK 23 93 - 24 - 2.9/3279=1 HB3 LYS 73 - HE3 LYS 13 OK 22 92 - 24 - 2.9/3279=1 HB2 LYS 24 - HE3 LYS 12 OK 22 98 - 23 - ~464=2, ~434=2...(6) HB3 LYS 24 - HE3 LYS 12 OK 22 98 - 23 - ~464=2, ~434=2...(6) HB2 LYS 73 - HE3 LYS 12 lone 9 96 - 9 - ~434=1, ~464=1 HB3 LYS 73 - HE3 LYS 12 lone 8 95 - 9 - ~434=1, ~464=1 HB3 ARG 46 - HE2 LYS 24 lone 5 100 - 5 - HB3 ARG 46 - HE3 LYS 24 lone 5 100 - 5 - HB2 LYS 47 - HE3 LYS 12 lone 4 95 - 4 - HB2 ARG 46 - HE3 LYS 24 lone 4 87 - 4 - HB2 ARG 46 - HE2 LYS 24 lone 4 87 - 4 - HB3 ARG 46 - HE2 LYS 13 lone 3 99 - 3 - HB3 MET 74 - HE3 LYS 24 lone 3 100 - 3 - HB3 MET 74 - HE2 LYS 24 lone 3 100 - 3 - HB3 ARG 46 - HE3 LYS 13 lone 3 95 - 3 - HB2 ARG 46 - HE2 LYS 13 lone 3 85 - 3 - HB3 ARG 46 - HE3 LYS 12 lone 2 97 - 2 - HB3 MET 74 - HE2 LYS 13 lone 2 99 - 2 - HB2 ARG 46 - HE3 LYS 13 lone 2 79 - 3 - HB3 MET 74 - HE3 LYS 13 lone 2 96 - 2 - HB2 ARG 46 - HE3 LYS 12 lone 2 83 - 2 - HB3 MET 74 - HE3 LYS 12 lone 2 98 - 2 - QE MET 1 - HE2 LYS 13 lone 2 79 - 2 - QE MET 1 - HE3 LYS 13 lone 1 73 - 2 - HG3 GLU 88 - HE3 LYS 24 lone 1 61 - 2 - HG3 GLU 88 - HE2 LYS 24 lone 1 61 - 2 - QE MET 1 - HE3 LYS 24 lone 1 81 - 2 - QE MET 1 - HE2 LYS 24 lone 1 81 - 2 - HB2 GLU 37 - HE2 LYS 24 lone 1 77 - 1 - HB2 GLU 37 - HE3 LYS 24 lone 1 77 - 1 - QE MET 1 - HE3 LYS 12 lone 1 76 - 1 - HB2 GLU 37 - HE3 LYS 12 lone 1 73 - 1 - HB2 GLU 37 - HE2 LYS 13 lone 1 75 - 1 - HB2 GLU 37 - HE3 LYS 13 lone 0 70 - 1 - HG3 GLU 88 - HE2 LYS 13 lone 0 60 - 1 - HG3 GLU 88 - HE3 LYS 13 lone 0 55 - 1 - HG3 GLU 88 - HE3 LYS 12 lone 0 58 - 1 - Peak 1131 from cnoeabs.peaks (1.96, 2.96, 41.80 ppm; 3.30 A): 4 out of 55 assignments used, quality = 1.00: HB2 LYS 24 + HE3 LYS 24 OK 74 100 - 74 - 4.9=30, 1097/3.7=7...(43) HB2 LYS 24 + HE2 LYS 24 OK 74 100 - 74 - 4.9=30, 1097/3.7=7...(43) HB3 LYS 24 + HE3 LYS 24 OK 74 100 - 74 - 4.9=30, 1097/3.7=7...(43) * HB3 LYS 24 + HE2 LYS 24 OK 74 100 - 74 - 4.9=30, 1097/3.7=7...(43) HB2 LYS 47 - HE3 LYS 24 OK 31 98 - 32 - 3.0/2176=2, 1097/3.7=1...(14) HB2 LYS 47 - HE2 LYS 24 OK 31 98 - 32 - 3.0/2176=2, 1097/3.7=1...(14) HB3 LYS 24 - HE2 LYS 13 OK 30 99 - 30 - 2.9/1104=2, 3.0/1058=1...(5) HB2 LYS 24 - HE2 LYS 13 OK 30 99 - 30 - 2.9/1104=2, 3.0/1058=1...(5) HB3 LYS 24 - HE3 LYS 13 OK 29 96 - 30 - 2.9/1103=2, 3.0/1057=1...(5) HB2 LYS 24 - HE3 LYS 13 OK 29 96 - 30 - 2.9/1103=2, 3.0/1057=1...(5) HB2 LYS 47 - HE2 LYS 13 OK 29 97 - 30 - 2138/3.8=2, 3.0/2176=2...(8) HB2 LYS 47 - HE3 LYS 13 OK 27 92 - 30 - 2138/3.8=2, 3.0/2176=1...(8) HB2 LYS 73 - HE2 LYS 24 OK 26 99 - 26 - 1098/3.7=2, 1087/3.7=2 HB2 LYS 73 - HE3 LYS 24 OK 26 99 - 26 - 1098/3.7=2, 1087/3.7=2 HB3 LYS 73 - HE2 LYS 24 OK 26 98 - 26 - 1097/3.7=2, 1087/3.7=2 HB3 LYS 73 - HE3 LYS 24 OK 26 98 - 26 - 1097/3.7=2, 1087/3.7=2 HB2 LYS 73 - HE2 LYS 13 OK 24 98 - 24 - HB3 LYS 73 - HE2 LYS 13 OK 24 97 - 24 - HB2 LYS 73 - HE3 LYS 13 OK 23 93 - 24 - 2.9/3279=1 HB3 LYS 73 - HE3 LYS 13 OK 22 92 - 24 - 2.9/3279=1 HB2 LYS 24 - HE3 LYS 12 OK 22 98 - 23 - ~464=2, ~434=2...(6) HB3 LYS 24 - HE3 LYS 12 OK 22 98 - 23 - ~464=2, ~434=2...(6) HB2 LYS 73 - HE3 LYS 12 lone 9 96 - 9 - ~434=1, ~464=1 HB3 LYS 73 - HE3 LYS 12 lone 8 95 - 9 - ~434=1, ~464=1 HB3 ARG 46 - HE2 LYS 24 lone 5 100 - 5 - HB3 ARG 46 - HE3 LYS 24 lone 5 100 - 5 - HB2 LYS 47 - HE3 LYS 12 lone 4 95 - 4 - HB2 ARG 46 - HE3 LYS 24 lone 4 87 - 4 - HB2 ARG 46 - HE2 LYS 24 lone 4 87 - 4 - HB3 ARG 46 - HE2 LYS 13 lone 3 99 - 3 - HB3 MET 74 - HE3 LYS 24 lone 3 100 - 3 - HB3 MET 74 - HE2 LYS 24 lone 3 100 - 3 - HB3 ARG 46 - HE3 LYS 13 lone 3 95 - 3 - HB2 ARG 46 - HE2 LYS 13 lone 3 85 - 3 - HB3 ARG 46 - HE3 LYS 12 lone 2 97 - 2 - HB3 MET 74 - HE2 LYS 13 lone 2 99 - 2 - HB2 ARG 46 - HE3 LYS 13 lone 2 79 - 3 - HB3 MET 74 - HE3 LYS 13 lone 2 96 - 2 - HB2 ARG 46 - HE3 LYS 12 lone 2 83 - 2 - HB3 MET 74 - HE3 LYS 12 lone 2 98 - 2 - QE MET 1 - HE2 LYS 13 lone 2 79 - 2 - QE MET 1 - HE3 LYS 13 lone 1 73 - 2 - HG3 GLU 88 - HE3 LYS 24 lone 1 61 - 2 - HG3 GLU 88 - HE2 LYS 24 lone 1 61 - 2 - QE MET 1 - HE3 LYS 24 lone 1 81 - 2 - QE MET 1 - HE2 LYS 24 lone 1 81 - 2 - HB2 GLU 37 - HE2 LYS 24 lone 1 77 - 1 - HB2 GLU 37 - HE3 LYS 24 lone 1 77 - 1 - QE MET 1 - HE3 LYS 12 lone 1 76 - 1 - HB2 GLU 37 - HE3 LYS 12 lone 1 73 - 1 - HB2 GLU 37 - HE2 LYS 13 lone 1 75 - 1 - HB2 GLU 37 - HE3 LYS 13 lone 0 70 - 1 - HG3 GLU 88 - HE2 LYS 13 lone 0 60 - 1 - HG3 GLU 88 - HE3 LYS 13 lone 0 55 - 1 - HG3 GLU 88 - HE3 LYS 12 lone 0 58 - 1 - Peak 1132 from cnoeabs.peaks (1.59, 2.96, 41.80 ppm; 2.78 A): 3 out of 65 assignments used, quality = 0.96: HG2 LYS 24 + HE3 LYS 24 OK 69 100 - 69 - 3.7=42, 1.8/1104=5...(18) * HG2 LYS 24 + HE2 LYS 24 OK 69 100 - 69 - 3.7=42, 1.8/1104=5...(18) HG3 LYS 12 + HE3 LYS 12 OK 61 92 - 67 - 4.0=34, ~423=8...(22) HG3 LYS 12 - HE2 LYS 13 OK 23 94 - 25 - 1.8/424=2, ~424=2...(6) HG2 LYS 24 - HE2 LYS 13 OK 22 99 - 22 - 1.8/1103=2, 1092=1...(5) HG3 LYS 12 - HE3 LYS 13 OK 21 89 - 24 - 1.8/424=2, ~424=2...(6) HG3 LYS 12 - HE2 LYS 24 OK 21 96 - 23 - 1.8/424=2, 1099/3.7=2...(5) HG3 LYS 12 - HE3 LYS 24 OK 21 96 - 23 - 1.8/424=2, 1099/3.7=2...(5) HG2 LYS 24 - HE3 LYS 13 OK 21 96 - 22 - 1.8/1103=2, 1092=1...(5) HG2 LYS 24 - HE3 LYS 12 OK 18 98 - 19 - 464/1.8=3, 1.8/1104=2...(6) HG3 LYS 73 - HE2 LYS 13 OK 15 85 - 18 - HG3 LYS 73 - HE3 LYS 24 OK 15 87 - 17 - 1099/3.7=1 HG3 LYS 73 - HE2 LYS 24 OK 15 87 - 17 - 1099/3.7=1 HG3 LYS 73 - HE3 LYS 13 OK 14 79 - 17 - HD2 LYS 66 - HE3 LYS 12 poor 9 73 - 13 - 464/1.8=2, 420/4.0=2...(6) HG3 LYS 90 - HE3 LYS 12 lone 8 98 - 8 - 464/1.8=1 HG3 LYS 90 - HE3 LYS 24 lone 7 100 - 7 - 1099/3.7=1 HG3 LYS 90 - HE2 LYS 24 lone 7 100 - 7 - 1099/3.7=1 HG LEU 27 - HE3 LYS 12 lone 6 83 - 7 - ~10392=2, 464/1.8=1 HG3 LYS 73 - HE3 LYS 12 lone 6 83 - 7 - 464/1.8=2 HB3 LEU 29 - HE3 LYS 12 lone 5 88 - 6 - 420/4.0=1, 464/1.8=1 HD2 LYS 66 - HE2 LYS 13 lone 3 75 - 4 - HD2 LYS 66 - HE3 LYS 24 lone 3 77 - 4 - HD2 LYS 66 - HE2 LYS 24 lone 3 77 - 4 - HD2 LYS 66 - HE3 LYS 13 lone 3 70 - 4 - HG3 LYS 90 - HE2 LYS 13 lone 2 99 - 2 - HG3 LYS 90 - HE3 LYS 13 lone 2 95 - 2 - HD3 LYS 94 - HE3 LYS 12 lone 2 83 - 2 - HB2 LEU 103 - HE2 LYS 24 lone 2 100 - 2 - HB2 LEU 103 - HE3 LYS 24 lone 2 100 - 2 - HG LEU 103 - HE3 LYS 24 lone 2 99 - 2 - HG LEU 103 - HE2 LYS 24 lone 2 99 - 2 - HD3 LYS 94 - HE2 LYS 13 lone 2 85 - 2 - HD3 LYS 94 - HE3 LYS 13 lone 1 79 - 2 - HD3 LYS 94 - HE3 LYS 24 lone 1 87 - 1 - HD3 LYS 94 - HE2 LYS 24 lone 1 87 - 1 - HB3 LEU 29 - HE2 LYS 13 lone 1 90 - 1 - HG LEU 27 - HE2 LYS 24 lone 1 87 - 1 - HG LEU 27 - HE3 LYS 24 lone 1 87 - 1 - HB3 LEU 29 - HE3 LYS 13 lone 1 84 - 1 - HG2 ARG 19 - HE3 LYS 12 lone 1 98 - 1 - HB3 LEU 29 - HE2 LYS 24 lone 1 92 - 1 - HB3 LEU 29 - HE3 LYS 24 lone 1 92 - 1 - HG LEU 27 - HE2 LYS 13 lone 1 85 - 1 - HB2 LEU 103 - HE3 LYS 12 lone 1 98 - 1 - HG LEU 27 - HE3 LYS 13 lone 1 79 - 1 - HG2 ARG 19 - HE2 LYS 24 lone 1 100 - 1 - HG2 ARG 19 - HE3 LYS 24 lone 1 100 - 1 - HG2 ARG 19 - HE2 LYS 13 lone 1 99 - 1 - HG LEU 103 - HE3 LYS 12 lone 1 97 - 1 - HG2 ARG 19 - HE3 LYS 13 lone 1 96 - 1 - HB2 ARG 30 - HE3 LYS 12 lone 1 65 - 1 - HB2 ARG 79 - HE3 LYS 12 lone 0 76 - 1 - HB2 LEU 103 - HE2 LYS 13 lone 0 99 - 0 - HB2 LEU 103 - HE3 LYS 13 lone 0 96 - 0 - HG LEU 103 - HE2 LYS 13 lone 0 98 - 0 - HG LEU 103 - HE3 LYS 13 lone 0 94 - 0 - HB2 ARG 79 - HE2 LYS 24 lone 0 81 - 0 - HB2 ARG 79 - HE3 LYS 24 lone 0 81 - 0 - HB2 ARG 79 - HE2 LYS 13 lone 0 79 - 0 - HB2 ARG 30 - HE2 LYS 24 lone 0 70 - 0 - HB2 ARG 30 - HE3 LYS 24 lone 0 70 - 0 - HB2 ARG 79 - HE3 LYS 13 lone 0 73 - 0 - HB2 ARG 30 - HE2 LYS 13 lone 0 68 - 0 - HB2 ARG 30 - HE3 LYS 13 lone 0 62 - 0 - Peak 1133 from cnoeabs.peaks (1.51, 2.96, 41.80 ppm; 3.11 A): 4 out of 70 assignments used, quality = 1.00: * HG3 LYS 24 + HE2 LYS 24 OK 85 100 - 85 - 3.7=58, 1101/3.0=7...(26) HG3 LYS 24 + HE3 LYS 24 OK 85 100 - 85 - 3.7=58, 1101/3.0=7...(26) HG3 LYS 13 + HE2 LYS 13 OK 67 88 - 77 - 3.8=54, 1.8/565=4...(20) HG3 LYS 13 + HE3 LYS 13 OK 63 82 - 77 - 3.8=54, 1.8/565=4...(20) HG3 LYS 24 - HE2 LYS 13 OK 30 99 - 30 - 1104=3, 1103/1.8=2...(7) HG3 LYS 24 - HE3 LYS 13 OK 29 96 - 30 - 1103=3, 1104/1.8=2...(7) HG3 LYS 13 - HE2 LYS 24 OK 25 90 - 28 - 1.8/525=2, ~526=2...(8) HG3 LYS 13 - HE3 LYS 24 OK 25 90 - 28 - 1.8/525=2, ~526=2...(8) HG3 LYS 24 - HE3 LYS 12 OK 25 98 - 26 - ~464=3, 1103=3, ~434=2...(8) HG3 LYS 13 - HE3 LYS 12 OK 22 85 - 26 - ~463=3, 1.8/525=2...(13) HG2 LYS 47 - HE3 LYS 24 OK 17 70 - 25 - 1.8/2176=2, ~2177=2...(4) HG2 LYS 47 - HE2 LYS 24 OK 17 70 - 25 - 1.8/2176=2, ~2177=2...(4) HG2 LYS 47 - HE2 LYS 13 OK 17 68 - 25 - 522/3.8=2, 1.8/2176=2...(4) HG2 LYS 73 - HE2 LYS 13 OK 16 71 - 22 - 1.8/1132=1, 522/3.8=1, ~3309=1 HG2 LYS 47 - HE3 LYS 13 OK 15 62 - 25 - 522/3.8=2, 1.8/2177=2...(4) HG2 LYS 73 - HE2 LYS 24 OK 15 73 - 20 - 1089/3.7=1, 1.8/1132=1 HG2 LYS 73 - HE3 LYS 24 OK 15 73 - 20 - 1089/3.7=1, 1.8/1132=1 HG2 LYS 73 - HE3 LYS 13 OK 14 66 - 22 - 1.8/3279=1, 522/3.8=1 HG3 LYS 66 - HE3 LYS 12 OK 11 73 - 16 - ~464=1, ~461=1, ~462=1 HG2 LYS 66 - HE3 LYS 12 OK 10 65 - 16 - ~464=1, ~461=1, ~462=1 HG3 LYS 33 - HE3 LYS 12 lone 8 97 - 8 - HG3 LYS 33 - HE2 LYS 13 lone 8 98 - 8 - 522/3.8=1 HB2 LEU 14 - HE2 LYS 13 lone 7 79 - 9 - 3.8/6195=3 HG3 LYS 33 - HE3 LYS 13 lone 7 94 - 8 - 522/3.8=1 HB2 LEU 14 - HE3 LYS 13 lone 7 73 - 10 - 3.8/6195=3 HG2 LYS 73 - HE3 LYS 12 lone 6 69 - 9 - ~464=1, ~434=1 HG3 LYS 33 - HE3 LYS 24 lone 6 99 - 6 - HG3 LYS 33 - HE2 LYS 24 lone 6 99 - 6 - HG3 LYS 66 - HE2 LYS 13 lone 5 75 - 7 - HG LEU 2 - HE3 LYS 24 lone 5 97 - 5 - 70/3.0=1, 70/3.0=1 HG LEU 2 - HE2 LYS 24 lone 5 97 - 5 - 70/3.0=1, 70/3.0=1 HG LEU 2 - HE2 LYS 13 lone 5 96 - 5 - 70/2.9=1, 70/2.9=1 HG3 LYS 66 - HE2 LYS 24 lone 5 77 - 6 - HG3 LYS 66 - HE3 LYS 24 lone 5 77 - 6 - HG3 LYS 66 - HE3 LYS 13 lone 5 70 - 7 - HG LEU 2 - HE3 LYS 13 lone 5 90 - 5 - 70/2.9=1, 70/2.9=1 HG2 LYS 66 - HE2 LYS 13 lone 5 68 - 7 - HG2 LYS 66 - HE2 LYS 24 lone 4 70 - 6 - HG2 LYS 66 - HE3 LYS 24 lone 4 70 - 6 - HB2 LEU 14 - HE2 LYS 24 lone 4 81 - 5 - HB2 LEU 14 - HE3 LYS 24 lone 4 81 - 5 - HG2 LYS 66 - HE3 LYS 13 lone 4 62 - 7 - HB2 LEU 14 - HE3 LYS 12 lone 4 76 - 5 - 3.8/6195=2 HB ILE 7 - HE3 LYS 12 lone 4 76 - 5 - ~8267=1 HG LEU 2 - HE3 LYS 12 lone 3 94 - 4 - HG2 LYS 47 - HE3 LYS 12 lone 3 65 - 4 - HB ILE 7 - HE2 LYS 13 lone 2 79 - 3 - HB ILE 7 - HE3 LYS 13 lone 2 73 - 3 - HG LEU 57 - HE2 LYS 13 lone 2 96 - 2 - HB3 LEU 103 - HE3 LYS 24 lone 1 77 - 2 - HB3 LEU 103 - HE2 LYS 24 lone 1 77 - 2 - HG LEU 57 - HE3 LYS 13 lone 1 90 - 2 - HG LEU 57 - HE3 LYS 24 lone 1 97 - 1 - HG LEU 57 - HE2 LYS 24 lone 1 97 - 1 - HB ILE 7 - HE2 LYS 24 lone 1 81 - 1 - HB ILE 7 - HE3 LYS 24 lone 1 81 - 1 - HG LEU 57 - HE3 LYS 12 lone 1 94 - 1 - HB3 LEU 64 - HE2 LYS 13 lone 1 64 - 1 - HB3 LEU 64 - HE3 LYS 13 lone 1 58 - 1 - HB3 LEU 103 - HE3 LYS 12 lone 1 73 - 1 - HG LEU 6 - HE3 LYS 12 lone 1 65 - 1 - HB3 LEU 64 - HE2 LYS 24 lone 1 65 - 1 - HB3 LEU 64 - HE3 LYS 24 lone 1 65 - 1 - HG LEU 6 - HE2 LYS 24 lone 1 70 - 1 - HG LEU 6 - HE3 LYS 24 lone 1 70 - 1 - HG LEU 6 - HE2 LYS 13 lone 0 68 - 1 - HG LEU 6 - HE3 LYS 13 lone 0 62 - 1 - HB3 LEU 103 - HE2 LYS 13 lone 0 75 - 1 - HB3 LEU 103 - HE3 LYS 13 lone 0 70 - 1 - HB3 LEU 64 - HE3 LYS 12 lone 0 61 - 1 - Peak 1134 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.59 A): 10 out of 90 assignments used, quality = 1.00: HD2 LYS 24 + HE3 LYS 24 OK 78 100 - 78 - 3.0=66, 1101/3.7=3...(16) * HD2 LYS 24 + HE2 LYS 24 OK 78 100 - 78 - 3.0=66, 1101/3.7=3...(16) HD3 LYS 24 + HE3 LYS 24 OK 78 100 - 78 - 3.0=66, 1101/3.7=3...(16) HD3 LYS 24 + HE2 LYS 24 OK 78 100 - 78 - 3.0=66, 1101/3.7=3...(16) HD2 LYS 13 + HE2 LYS 13 OK 76 98 - 78 - 2.9=69, 524/3.8=3...(11) HD3 LYS 12 + HE3 LYS 12 OK 76 96 - 79 - 3.0=66, 466/1.8=8...(15) HD2 LYS 12 + HE3 LYS 12 OK 76 96 - 79 - 3.0=66, 466/1.8=8...(15) HD3 LYS 13 + HE2 LYS 13 OK 75 96 - 78 - 2.9=69, 524/3.8=3...(11) HD2 LYS 13 + HE3 LYS 13 OK 73 93 - 78 - 2.9=69, 524/3.8=3...(11) HD3 LYS 13 + HE3 LYS 13 OK 71 90 - 78 - 2.9=69, 524/3.8=3...(11) HD3 LYS 12 - HE2 LYS 13 OK 21 98 - 22 - 3.0/468=2, 3.0/424=2, 524/3.8=1 HD2 LYS 12 - HE2 LYS 13 OK 21 98 - 22 - 3.0/468=2, 3.0/424=2, 524/3.8=1 HD3 LYS 12 - HE3 LYS 13 OK 20 93 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD2 LYS 12 - HE3 LYS 13 OK 20 93 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD2 LYS 12 - HE3 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 12 - HE2 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD3 LYS 12 - HE2 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD3 LYS 12 - HE3 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 13 - HE3 LYS 12 OK 18 96 - 19 - 466/1.8=2, ~463=1...(5) HD2 LYS 24 - HE3 LYS 12 OK 17 98 - 18 - 466/1.8=2, ~464=1...(6) HD3 LYS 24 - HE3 LYS 12 OK 17 98 - 18 - 466/1.8=2, ~464=1...(6) HD3 LYS 13 - HE3 LYS 12 OK 17 94 - 19 - 466/1.8=2, ~463=1...(5) HD2 LYS 13 - HE2 LYS 24 OK 15 99 - 15 - 3.0/525=1 HD2 LYS 13 - HE3 LYS 24 OK 15 99 - 15 - 3.0/525=1 HD2 LYS 24 - HE2 LYS 13 OK 15 99 - 15 - 3.0/1103=1 HD3 LYS 24 - HE2 LYS 13 OK 15 99 - 15 - 3.0/1103=1 HG12 ILE 15 - HE3 LYS 12 OK 15 98 - 15 - ~8445=3, ~10392=2...(4) HD3 LYS 13 - HE3 LYS 24 OK 14 97 - 15 - 3.0/525=1 HD3 LYS 13 - HE2 LYS 24 OK 14 97 - 15 - 3.0/525=1 HD2 LYS 24 - HE3 LYS 13 OK 14 96 - 15 - 3.0/1104=1 HD3 LYS 24 - HE3 LYS 13 OK 14 96 - 15 - 3.0/1103=1 HD3 LYS 66 - HE3 LYS 12 OK 11 95 - 12 - 2947/4.0=2, 2944/4.8=1...(5) HD3 LYS 47 - HE2 LYS 24 poor 9 81 - 11 - HD3 LYS 47 - HE3 LYS 24 poor 9 81 - 11 - HD2 LYS 47 - HE2 LYS 24 poor 8 77 - 11 - HD2 LYS 47 - HE3 LYS 24 poor 8 77 - 11 - HD3 LYS 47 - HE2 LYS 13 poor 8 79 - 11 - HD3 LYS 47 - HE3 LYS 13 poor 8 73 - 11 - HD2 LYS 47 - HE2 LYS 13 lone 7 75 - 10 - HD2 LYS 47 - HE3 LYS 13 lone 7 70 - 10 - HD3 LYS 90 - HE3 LYS 12 lone 6 98 - 6 - HG12 ILE 15 - HE2 LYS 13 lone 6 99 - 6 - 12025/3.8=1 HG12 ILE 15 - HE3 LYS 13 lone 6 95 - 6 - 12025/3.8=1 HD3 LYS 90 - HE3 LYS 24 lone 5 100 - 5 - HD3 LYS 90 - HE2 LYS 24 lone 5 100 - 5 - HG2 PRO 86 - HE3 LYS 24 lone 5 100 - 5 - HG2 PRO 86 - HE2 LYS 24 lone 5 100 - 5 - HD3 LYS 66 - HE2 LYS 13 lone 4 97 - 4 - HD3 LYS 66 - HE3 LYS 13 lone 4 92 - 4 - HD3 LYS 66 - HE2 LYS 24 lone 4 98 - 4 - HD3 LYS 66 - HE3 LYS 24 lone 4 98 - 4 - HB2 LEU 2 - HE2 LYS 13 lone 3 97 - 3 - HB2 LEU 2 - HE3 LYS 13 lone 3 92 - 3 - HB2 LEU 2 - HE3 LYS 24 lone 3 98 - 3 - HB2 LEU 2 - HE2 LYS 24 lone 3 98 - 3 - HG2 PRO 86 - HE2 LYS 13 lone 3 99 - 3 - HG2 PRO 86 - HE3 LYS 13 lone 2 95 - 3 - HG12 ILE 15 - HE2 LYS 24 lone 2 100 - 2 - HG12 ILE 15 - HE3 LYS 24 lone 2 100 - 2 - HG LEU 70 - HE2 LYS 13 lone 2 99 - 2 - HG LEU 70 - HE3 LYS 13 lone 2 95 - 2 - HB2 LEU 2 - HE3 LYS 12 lone 2 95 - 2 - HG LEU 70 - HE3 LYS 12 lone 2 97 - 2 - HD3 LYS 90 - HE2 LYS 13 lone 2 99 - 2 - HD3 LYS 90 - HE3 LYS 13 lone 2 96 - 2 - HB3 LYS 40 - HE3 LYS 12 lone 2 83 - 2 - HG2 PRO 86 - HE3 LYS 12 lone 1 97 - 2 - HD3 LYS 47 - HE3 LYS 12 lone 1 76 - 2 - HD2 LYS 47 - HE3 LYS 12 lone 1 73 - 2 - HB3 ARG 91 - HE2 LYS 13 lone 1 82 - 1 - HG LEU 70 - HE2 LYS 24 lone 1 100 - 1 - HG LEU 70 - HE3 LYS 24 lone 1 100 - 1 - HB3 ARG 91 - HE3 LYS 13 lone 1 76 - 1 - HB3 ARG 91 - HE3 LYS 24 lone 1 84 - 1 - HB3 ARG 91 - HE2 LYS 24 lone 1 84 - 1 - HB3 ARG 91 - HE3 LYS 12 lone 1 80 - 1 - HB3 LYS 53 - HE3 LYS 12 lone 1 88 - 1 - HB3 LYS 40 - HE2 LYS 13 lone 1 85 - 1 - HB3 LYS 40 - HE3 LYS 13 lone 1 79 - 1 - HB3 LYS 40 - HE3 LYS 24 lone 0 87 - 1 - HB3 LYS 40 - HE2 LYS 24 lone 0 87 - 1 - HB3 LYS 53 - HE3 LYS 24 lone 0 92 - 0 - HB3 LYS 53 - HE2 LYS 24 lone 0 92 - 0 - HB3 LYS 53 - HE2 LYS 13 lone 0 90 - 0 - HB3 LYS 53 - HE3 LYS 13 lone 0 84 - 0 - HD2 LYS 20 - HE2 LYS 24 lone 0 65 - 0 - HD2 LYS 20 - HE3 LYS 24 lone 0 65 - 0 - HD2 LYS 20 - HE2 LYS 13 lone 0 64 - 0 - HD2 LYS 20 - HE3 LYS 13 lone 0 58 - 0 - HD2 LYS 20 - HE3 LYS 12 lone 0 61 - 0 - Peak 1135 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.59 A): 10 out of 95 assignments used, quality = 1.00: HD2 LYS 24 + HE2 LYS 24 OK 78 100 - 78 - 3.0=66, 1101/3.7=3...(16) HD2 LYS 24 + HE3 LYS 24 OK 78 100 - 78 - 3.0=66, 1101/3.7=3...(16) HD3 LYS 24 + HE3 LYS 24 OK 78 100 - 78 - 3.0=66, 1101/3.7=3...(16) * HD3 LYS 24 + HE2 LYS 24 OK 78 100 - 78 - 3.0=66, 1101/3.7=3...(16) HD2 LYS 13 + HE2 LYS 13 OK 77 98 - 78 - 2.9=69, 524/3.8=3...(11) HD3 LYS 12 + HE3 LYS 12 OK 77 97 - 79 - 3.0=66, 465/1.8=8...(15) HD2 LYS 12 + HE3 LYS 12 OK 77 97 - 79 - 3.0=66, 465/1.8=8...(15) HD3 LYS 13 + HE2 LYS 13 OK 76 97 - 78 - 2.9=69, 524/3.8=3...(11) HD2 LYS 13 + HE3 LYS 13 OK 74 94 - 78 - 2.9=69, 524/3.8=3...(11) HD3 LYS 13 + HE3 LYS 13 OK 72 92 - 78 - 2.9=69, 524/3.8=3...(11) HD2 LYS 12 - HE2 LYS 13 OK 21 98 - 22 - 3.0/468=2, 3.0/424=2, 524/3.8=1 HD3 LYS 12 - HE2 LYS 13 OK 21 98 - 22 - 3.0/468=2, 3.0/424=2, 524/3.8=1 HD2 LYS 12 - HE3 LYS 13 OK 20 94 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD3 LYS 12 - HE3 LYS 13 OK 20 94 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD3 LYS 12 - HE3 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD3 LYS 12 - HE2 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 12 - HE3 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 12 - HE2 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 13 - HE3 LYS 12 OK 18 97 - 19 - 466/1.8=2, ~463=1...(5) HD3 LYS 13 - HE3 LYS 12 OK 18 95 - 19 - 466/1.8=2, ~463=1...(5) HD2 LYS 24 - HE3 LYS 12 OK 17 98 - 18 - 466/1.8=2, ~464=1...(6) HD3 LYS 24 - HE3 LYS 12 OK 17 98 - 18 - 465/1.8=2, ~464=1...(6) HD2 LYS 13 - HE2 LYS 24 OK 15 99 - 15 - 3.0/525=1 HD2 LYS 13 - HE3 LYS 24 OK 15 99 - 15 - 3.0/525=1 HD2 LYS 24 - HE2 LYS 13 OK 15 99 - 15 - 3.0/1104=1 HD3 LYS 24 - HE2 LYS 13 OK 15 99 - 15 - 3.0/1104=1 HG12 ILE 15 - HE3 LYS 12 OK 14 97 - 15 - ~8445=3, ~10392=2...(4) HD3 LYS 13 - HE2 LYS 24 OK 14 98 - 15 - 3.0/525=1 HD3 LYS 13 - HE3 LYS 24 OK 14 98 - 15 - 3.0/525=1 HD2 LYS 24 - HE3 LYS 13 OK 14 96 - 15 - 3.0/1103=1 HD3 LYS 24 - HE3 LYS 13 OK 14 96 - 15 - 3.0/1103=1 HD3 LYS 66 - HE3 LYS 12 OK 11 96 - 12 - 2947/4.0=2, 2944/4.8=1...(5) HD3 LYS 47 - HE2 LYS 24 poor 8 77 - 11 - HD3 LYS 47 - HE3 LYS 24 poor 8 77 - 11 - HD2 LYS 47 - HE2 LYS 24 poor 8 73 - 11 - HD2 LYS 47 - HE3 LYS 24 poor 8 73 - 11 - HD3 LYS 47 - HE2 LYS 13 poor 8 75 - 11 - HD3 LYS 47 - HE3 LYS 13 poor 7 70 - 11 - HD2 LYS 47 - HE2 LYS 13 lone 7 71 - 10 - HD2 LYS 47 - HE3 LYS 13 lone 6 66 - 10 - HD3 LYS 90 - HE3 LYS 12 lone 6 98 - 6 - HG12 ILE 15 - HE2 LYS 13 lone 6 99 - 6 - 12025/3.8=1 HG12 ILE 15 - HE3 LYS 13 lone 6 95 - 6 - 12025/3.8=1 HD3 LYS 90 - HE3 LYS 24 lone 5 100 - 5 - HD3 LYS 90 - HE2 LYS 24 lone 5 100 - 5 - HG2 PRO 86 - HE3 LYS 24 lone 5 99 - 5 - HG2 PRO 86 - HE2 LYS 24 lone 5 99 - 5 - HD3 LYS 66 - HE2 LYS 13 lone 4 98 - 4 - HD3 LYS 66 - HE3 LYS 13 lone 4 93 - 4 - HD3 LYS 66 - HE3 LYS 24 lone 4 99 - 4 - HD3 LYS 66 - HE2 LYS 24 lone 4 99 - 4 - HB2 LEU 2 - HE2 LYS 13 lone 3 98 - 3 - HB2 LEU 2 - HE3 LYS 13 lone 3 93 - 3 - HB2 LEU 2 - HE2 LYS 24 lone 3 99 - 3 - HB2 LEU 2 - HE3 LYS 24 lone 3 99 - 3 - HG2 PRO 86 - HE2 LYS 13 lone 3 98 - 3 - HG2 PRO 86 - HE3 LYS 13 lone 2 94 - 3 - HG12 ILE 15 - HE2 LYS 24 lone 2 100 - 2 - HG12 ILE 15 - HE3 LYS 24 lone 2 100 - 2 - HG LEU 70 - HE2 LYS 13 lone 2 99 - 2 - HB2 LEU 2 - HE3 LYS 12 lone 2 96 - 2 - HG LEU 70 - HE3 LYS 13 lone 2 95 - 2 - HG LEU 70 - HE3 LYS 12 lone 2 98 - 2 - HD3 LYS 90 - HE2 LYS 13 lone 2 99 - 2 - HD3 LYS 90 - HE3 LYS 13 lone 2 96 - 2 - HB3 LYS 40 - HE3 LYS 12 lone 2 80 - 2 - HG2 PRO 86 - HE3 LYS 12 lone 1 97 - 2 - HD3 LYS 47 - HE3 LYS 12 lone 1 73 - 2 - HD2 LYS 47 - HE3 LYS 12 lone 1 69 - 2 - HB3 LEU 70 - HE3 LYS 12 lone 1 58 - 2 - HB3 ARG 91 - HE2 LYS 13 lone 1 79 - 1 - HB3 LEU 70 - HE2 LYS 13 lone 1 60 - 2 - HG LEU 70 - HE3 LYS 24 lone 1 100 - 1 - HG LEU 70 - HE2 LYS 24 lone 1 100 - 1 - HB3 ARG 91 - HE3 LYS 13 lone 1 73 - 1 - HB3 LEU 70 - HE3 LYS 13 lone 1 55 - 2 - HB3 ARG 91 - HE3 LYS 24 lone 1 81 - 1 - HB3 ARG 91 - HE2 LYS 24 lone 1 81 - 1 - HB3 ARG 91 - HE3 LYS 12 lone 1 76 - 1 - HB3 LYS 53 - HE3 LYS 12 lone 1 85 - 1 - HB3 LYS 40 - HE2 LYS 13 lone 1 82 - 1 - HB3 LYS 40 - HE3 LYS 13 lone 1 76 - 1 - HB3 LYS 53 - HE2 LYS 24 lone 0 90 - 0 - HB3 LYS 53 - HE3 LYS 24 lone 0 90 - 0 - HB3 LYS 40 - HE3 LYS 24 lone 0 84 - 1 - HB3 LYS 40 - HE2 LYS 24 lone 0 84 - 1 - HB3 LEU 70 - HE2 LYS 24 lone 0 61 - 1 - HB3 LEU 70 - HE3 LYS 24 lone 0 61 - 1 - HB3 LYS 53 - HE2 LYS 13 lone 0 88 - 0 - HB3 LYS 53 - HE3 LYS 13 lone 0 82 - 0 - HD2 LYS 20 - HE2 LYS 24 lone 0 61 - 0 - HD2 LYS 20 - HE3 LYS 24 lone 0 61 - 0 - HD2 LYS 20 - HE2 LYS 13 lone 0 60 - 0 - HD2 LYS 20 - HE3 LYS 13 lone 0 55 - 0 - HD2 LYS 20 - HE3 LYS 12 lone 0 58 - 0 - Peak 1136 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 * HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 99 99 - 100 HE3 LYS 12 + HE3 LYS 12 OK 97 97 - 100 HE3 LYS 13 + HE3 LYS 13 OK 94 94 - 100 Peak 1137 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 99 99 - 100 HE3 LYS 12 + HE3 LYS 12 OK 97 97 - 100 HE3 LYS 13 + HE3 LYS 13 OK 94 94 - 100 Reference assignment not found: HE3 LYS 24 - HE2 LYS 24 Peak 1139 from cnoeabs.peaks (7.57, 2.96, 41.80 ppm; 5.97 A): 2 out of 15 assignments used, quality = 0.99: H LYS 24 + HE2 LYS 24 OK 90 100 - 90 - 7.4=53, 1095/3.7=25...(15) * H LYS 24 + HE3 LYS 24 OK 90 100 - 90 - 7.4=53, 1095/3.7=25...(15) H GLU 88 - HE2 LYS 24 OK 45 100 - 45 - 1095/3.7=11, 1049/6.2=9...(10) H GLU 88 - HE3 LYS 24 OK 45 100 - 45 - 1095/3.7=11, 1049/6.2=9...(10) H LYS 24 - HE2 LYS 13 OK 39 99 - 39 - 3.0/1058=4, 6389=3...(17) H LYS 24 - HE3 LYS 13 OK 37 96 - 39 - 3.0/1057=4, 6390=3...(17) H LYS 24 - HE3 LYS 12 OK 27 98 - 28 - 5.1/1104=3, 1084/4.0=3...(13) H ILE 76 - HE2 LYS 13 OK 23 82 - 28 - 9650/6.0=7, 7257/3.8=5...(9) H ILE 76 - HE3 LYS 13 OK 21 76 - 28 - 9650/6.0=7, 7257/3.8=5...(9) H ILE 76 - HE3 LYS 24 OK 19 84 - 23 - 1095/3.7=4, 1084/3.7=3...(8) H ILE 76 - HE2 LYS 24 OK 19 84 - 23 - 1095/3.7=4, 1084/3.7=3...(8) H GLU 88 - HE2 LYS 13 OK 15 99 - 15 - 6386/3.8=2, 6377/6.0=2...(7) H GLU 88 - HE3 LYS 13 OK 15 95 - 15 - 6386/3.8=2, 6377/6.0=2...(7) H ILE 76 - HE3 LYS 12 OK 14 80 - 17 - 9649/6.3=3, 6161/7.3=2...(5) H GLU 88 - HE3 LYS 12 lone 8 98 - 8 - 1084/4.0=1 Peak 1141 from cnoeabs.peaks (1.96, 2.96, 41.80 ppm; 3.30 A): 4 out of 55 assignments used, quality = 1.00: * HB2 LYS 24 + HE3 LYS 24 OK 74 100 - 74 - 4.9=30, 1097/3.7=7...(43) HB2 LYS 24 + HE2 LYS 24 OK 74 100 - 74 - 4.9=30, 1097/3.7=7...(43) HB3 LYS 24 + HE3 LYS 24 OK 74 100 - 74 - 4.9=30, 1097/3.7=7...(43) HB3 LYS 24 + HE2 LYS 24 OK 74 100 - 74 - 4.9=30, 1097/3.7=7...(43) HB2 LYS 47 - HE3 LYS 24 OK 31 98 - 32 - 3.0/2176=2, 1097/3.7=1...(14) HB2 LYS 47 - HE2 LYS 24 OK 31 98 - 32 - 3.0/2176=2, 1097/3.7=1...(14) HB3 LYS 24 - HE2 LYS 13 OK 30 99 - 30 - 2.9/1104=2, 3.0/1058=1...(5) HB2 LYS 24 - HE2 LYS 13 OK 30 99 - 30 - 2.9/1104=2, 3.0/1058=1...(5) HB3 LYS 24 - HE3 LYS 13 OK 29 96 - 30 - 2.9/1103=2, 3.0/1057=1...(5) HB2 LYS 24 - HE3 LYS 13 OK 29 96 - 30 - 2.9/1103=2, 3.0/1057=1...(5) HB2 LYS 47 - HE2 LYS 13 OK 29 97 - 30 - 2138/3.8=2, 3.0/2176=2...(8) HB2 LYS 47 - HE3 LYS 13 OK 27 92 - 30 - 2138/3.8=2, 3.0/2176=1...(8) HB2 LYS 73 - HE2 LYS 24 OK 26 99 - 26 - 1098/3.7=2, 1087/3.7=2 HB2 LYS 73 - HE3 LYS 24 OK 26 99 - 26 - 1098/3.7=2, 1087/3.7=2 HB3 LYS 73 - HE2 LYS 24 OK 26 98 - 26 - 1097/3.7=2, 1087/3.7=2 HB3 LYS 73 - HE3 LYS 24 OK 26 98 - 26 - 1097/3.7=2, 1087/3.7=2 HB2 LYS 73 - HE2 LYS 13 OK 24 98 - 24 - HB3 LYS 73 - HE2 LYS 13 OK 24 97 - 24 - HB2 LYS 73 - HE3 LYS 13 OK 23 93 - 24 - 2.9/3279=1 HB3 LYS 73 - HE3 LYS 13 OK 22 92 - 24 - 2.9/3279=1 HB2 LYS 24 - HE3 LYS 12 OK 22 98 - 23 - ~464=2, ~434=2...(6) HB3 LYS 24 - HE3 LYS 12 OK 22 98 - 23 - ~464=2, ~434=2...(6) HB2 LYS 73 - HE3 LYS 12 lone 9 96 - 9 - ~434=1, ~464=1 HB3 LYS 73 - HE3 LYS 12 lone 8 95 - 9 - ~434=1, ~464=1 HB3 ARG 46 - HE2 LYS 24 lone 5 100 - 5 - HB3 ARG 46 - HE3 LYS 24 lone 5 100 - 5 - HB2 LYS 47 - HE3 LYS 12 lone 4 95 - 4 - HB2 ARG 46 - HE3 LYS 24 lone 4 87 - 4 - HB2 ARG 46 - HE2 LYS 24 lone 4 87 - 4 - HB3 ARG 46 - HE2 LYS 13 lone 3 99 - 3 - HB3 MET 74 - HE3 LYS 24 lone 3 100 - 3 - HB3 MET 74 - HE2 LYS 24 lone 3 100 - 3 - HB3 ARG 46 - HE3 LYS 13 lone 3 95 - 3 - HB2 ARG 46 - HE2 LYS 13 lone 3 85 - 3 - HB3 ARG 46 - HE3 LYS 12 lone 2 97 - 2 - HB3 MET 74 - HE2 LYS 13 lone 2 99 - 2 - HB2 ARG 46 - HE3 LYS 13 lone 2 79 - 3 - HB3 MET 74 - HE3 LYS 13 lone 2 96 - 2 - HB2 ARG 46 - HE3 LYS 12 lone 2 83 - 2 - HB3 MET 74 - HE3 LYS 12 lone 2 98 - 2 - QE MET 1 - HE2 LYS 13 lone 2 79 - 2 - QE MET 1 - HE3 LYS 13 lone 1 73 - 2 - HG3 GLU 88 - HE3 LYS 24 lone 1 61 - 2 - HG3 GLU 88 - HE2 LYS 24 lone 1 61 - 2 - QE MET 1 - HE3 LYS 24 lone 1 81 - 2 - QE MET 1 - HE2 LYS 24 lone 1 81 - 2 - HB2 GLU 37 - HE2 LYS 24 lone 1 77 - 1 - HB2 GLU 37 - HE3 LYS 24 lone 1 77 - 1 - QE MET 1 - HE3 LYS 12 lone 1 76 - 1 - HB2 GLU 37 - HE3 LYS 12 lone 1 73 - 1 - HB2 GLU 37 - HE2 LYS 13 lone 1 75 - 1 - HB2 GLU 37 - HE3 LYS 13 lone 0 70 - 1 - HG3 GLU 88 - HE2 LYS 13 lone 0 60 - 1 - HG3 GLU 88 - HE3 LYS 13 lone 0 55 - 1 - HG3 GLU 88 - HE3 LYS 12 lone 0 58 - 1 - Peak 1142 from cnoeabs.peaks (1.96, 2.96, 41.80 ppm; 3.30 A): 4 out of 55 assignments used, quality = 1.00: HB2 LYS 24 + HE3 LYS 24 OK 74 100 - 74 - 4.9=30, 1097/3.7=7...(43) HB2 LYS 24 + HE2 LYS 24 OK 74 100 - 74 - 4.9=30, 1097/3.7=7...(43) * HB3 LYS 24 + HE3 LYS 24 OK 74 100 - 74 - 4.9=30, 1097/3.7=7...(43) HB3 LYS 24 + HE2 LYS 24 OK 74 100 - 74 - 4.9=30, 1097/3.7=7...(43) HB2 LYS 47 - HE3 LYS 24 OK 31 98 - 32 - 3.0/2176=2, 1097/3.7=1...(14) HB2 LYS 47 - HE2 LYS 24 OK 31 98 - 32 - 3.0/2176=2, 1097/3.7=1...(14) HB3 LYS 24 - HE2 LYS 13 OK 30 99 - 30 - 2.9/1104=2, 3.0/1058=1...(5) HB2 LYS 24 - HE2 LYS 13 OK 30 99 - 30 - 2.9/1104=2, 3.0/1058=1...(5) HB3 LYS 24 - HE3 LYS 13 OK 29 96 - 30 - 2.9/1103=2, 3.0/1057=1...(5) HB2 LYS 24 - HE3 LYS 13 OK 29 96 - 30 - 2.9/1103=2, 3.0/1057=1...(5) HB2 LYS 47 - HE2 LYS 13 OK 29 97 - 30 - 2138/3.8=2, 3.0/2176=2...(8) HB2 LYS 47 - HE3 LYS 13 OK 27 92 - 30 - 2138/3.8=2, 3.0/2176=1...(8) HB2 LYS 73 - HE2 LYS 24 OK 26 99 - 26 - 1098/3.7=2, 1087/3.7=2 HB2 LYS 73 - HE3 LYS 24 OK 26 99 - 26 - 1098/3.7=2, 1087/3.7=2 HB3 LYS 73 - HE2 LYS 24 OK 26 98 - 26 - 1097/3.7=2, 1087/3.7=2 HB3 LYS 73 - HE3 LYS 24 OK 26 98 - 26 - 1097/3.7=2, 1087/3.7=2 HB2 LYS 73 - HE2 LYS 13 OK 24 98 - 24 - HB3 LYS 73 - HE2 LYS 13 OK 24 97 - 24 - HB2 LYS 73 - HE3 LYS 13 OK 23 93 - 24 - 2.9/3279=1 HB3 LYS 73 - HE3 LYS 13 OK 22 92 - 24 - 2.9/3279=1 HB2 LYS 24 - HE3 LYS 12 OK 22 98 - 23 - ~464=2, ~434=2...(6) HB3 LYS 24 - HE3 LYS 12 OK 22 98 - 23 - ~464=2, ~434=2...(6) HB2 LYS 73 - HE3 LYS 12 lone 9 96 - 9 - ~434=1, ~464=1 HB3 LYS 73 - HE3 LYS 12 lone 8 95 - 9 - ~434=1, ~464=1 HB3 ARG 46 - HE2 LYS 24 lone 5 100 - 5 - HB3 ARG 46 - HE3 LYS 24 lone 5 100 - 5 - HB2 LYS 47 - HE3 LYS 12 lone 4 95 - 4 - HB2 ARG 46 - HE3 LYS 24 lone 4 87 - 4 - HB2 ARG 46 - HE2 LYS 24 lone 4 87 - 4 - HB3 ARG 46 - HE2 LYS 13 lone 3 99 - 3 - HB3 MET 74 - HE3 LYS 24 lone 3 100 - 3 - HB3 MET 74 - HE2 LYS 24 lone 3 100 - 3 - HB3 ARG 46 - HE3 LYS 13 lone 3 95 - 3 - HB2 ARG 46 - HE2 LYS 13 lone 3 85 - 3 - HB3 ARG 46 - HE3 LYS 12 lone 2 97 - 2 - HB3 MET 74 - HE2 LYS 13 lone 2 99 - 2 - HB2 ARG 46 - HE3 LYS 13 lone 2 79 - 3 - HB3 MET 74 - HE3 LYS 13 lone 2 96 - 2 - HB2 ARG 46 - HE3 LYS 12 lone 2 83 - 2 - HB3 MET 74 - HE3 LYS 12 lone 2 98 - 2 - QE MET 1 - HE2 LYS 13 lone 2 79 - 2 - QE MET 1 - HE3 LYS 13 lone 1 73 - 2 - HG3 GLU 88 - HE3 LYS 24 lone 1 61 - 2 - HG3 GLU 88 - HE2 LYS 24 lone 1 61 - 2 - QE MET 1 - HE3 LYS 24 lone 1 81 - 2 - QE MET 1 - HE2 LYS 24 lone 1 81 - 2 - HB2 GLU 37 - HE2 LYS 24 lone 1 77 - 1 - HB2 GLU 37 - HE3 LYS 24 lone 1 77 - 1 - QE MET 1 - HE3 LYS 12 lone 1 76 - 1 - HB2 GLU 37 - HE3 LYS 12 lone 1 73 - 1 - HB2 GLU 37 - HE2 LYS 13 lone 1 75 - 1 - HB2 GLU 37 - HE3 LYS 13 lone 0 70 - 1 - HG3 GLU 88 - HE2 LYS 13 lone 0 60 - 1 - HG3 GLU 88 - HE3 LYS 13 lone 0 55 - 1 - HG3 GLU 88 - HE3 LYS 12 lone 0 58 - 1 - Peak 1143 from cnoeabs.peaks (1.59, 2.96, 41.80 ppm; 2.78 A): 3 out of 65 assignments used, quality = 0.96: * HG2 LYS 24 + HE3 LYS 24 OK 69 100 - 69 - 3.7=42, 1.8/1104=5...(18) HG2 LYS 24 + HE2 LYS 24 OK 69 100 - 69 - 3.7=42, 1.8/1104=5...(18) HG3 LYS 12 + HE3 LYS 12 OK 61 92 - 67 - 4.0=34, ~423=8...(22) HG3 LYS 12 - HE2 LYS 13 OK 23 94 - 25 - 1.8/424=2, ~424=2...(6) HG2 LYS 24 - HE2 LYS 13 OK 22 99 - 22 - 1.8/1103=2, 1092=1...(5) HG3 LYS 12 - HE3 LYS 13 OK 21 89 - 24 - 1.8/424=2, ~424=2...(6) HG3 LYS 12 - HE2 LYS 24 OK 21 96 - 23 - 1.8/424=2, 1099/3.7=2...(5) HG3 LYS 12 - HE3 LYS 24 OK 21 96 - 23 - 1.8/424=2, 1099/3.7=2...(5) HG2 LYS 24 - HE3 LYS 13 OK 21 96 - 22 - 1.8/1103=2, 1092=1...(5) HG2 LYS 24 - HE3 LYS 12 OK 18 98 - 19 - 464/1.8=3, 1.8/1104=2...(6) HG3 LYS 73 - HE2 LYS 13 OK 15 85 - 18 - HG3 LYS 73 - HE3 LYS 24 OK 15 87 - 17 - 1099/3.7=1 HG3 LYS 73 - HE2 LYS 24 OK 15 87 - 17 - 1099/3.7=1 HG3 LYS 73 - HE3 LYS 13 OK 14 79 - 17 - HD2 LYS 66 - HE3 LYS 12 poor 9 73 - 13 - 464/1.8=2, 420/4.0=2...(6) HG3 LYS 90 - HE3 LYS 12 lone 8 98 - 8 - 464/1.8=1 HG3 LYS 90 - HE3 LYS 24 lone 7 100 - 7 - 1099/3.7=1 HG3 LYS 90 - HE2 LYS 24 lone 7 100 - 7 - 1099/3.7=1 HG LEU 27 - HE3 LYS 12 lone 6 83 - 7 - ~10392=2, 464/1.8=1 HG3 LYS 73 - HE3 LYS 12 lone 6 83 - 7 - 464/1.8=2 HB3 LEU 29 - HE3 LYS 12 lone 5 88 - 6 - 420/4.0=1, 464/1.8=1 HD2 LYS 66 - HE2 LYS 13 lone 3 75 - 4 - HD2 LYS 66 - HE3 LYS 24 lone 3 77 - 4 - HD2 LYS 66 - HE2 LYS 24 lone 3 77 - 4 - HD2 LYS 66 - HE3 LYS 13 lone 3 70 - 4 - HG3 LYS 90 - HE2 LYS 13 lone 2 99 - 2 - HG3 LYS 90 - HE3 LYS 13 lone 2 95 - 2 - HD3 LYS 94 - HE3 LYS 12 lone 2 83 - 2 - HB2 LEU 103 - HE2 LYS 24 lone 2 100 - 2 - HB2 LEU 103 - HE3 LYS 24 lone 2 100 - 2 - HG LEU 103 - HE3 LYS 24 lone 2 99 - 2 - HG LEU 103 - HE2 LYS 24 lone 2 99 - 2 - HD3 LYS 94 - HE2 LYS 13 lone 2 85 - 2 - HD3 LYS 94 - HE3 LYS 13 lone 1 79 - 2 - HD3 LYS 94 - HE3 LYS 24 lone 1 87 - 1 - HD3 LYS 94 - HE2 LYS 24 lone 1 87 - 1 - HB3 LEU 29 - HE2 LYS 13 lone 1 90 - 1 - HG LEU 27 - HE2 LYS 24 lone 1 87 - 1 - HG LEU 27 - HE3 LYS 24 lone 1 87 - 1 - HB3 LEU 29 - HE3 LYS 13 lone 1 84 - 1 - HG2 ARG 19 - HE3 LYS 12 lone 1 98 - 1 - HB3 LEU 29 - HE2 LYS 24 lone 1 92 - 1 - HB3 LEU 29 - HE3 LYS 24 lone 1 92 - 1 - HG LEU 27 - HE2 LYS 13 lone 1 85 - 1 - HB2 LEU 103 - HE3 LYS 12 lone 1 98 - 1 - HG LEU 27 - HE3 LYS 13 lone 1 79 - 1 - HG2 ARG 19 - HE2 LYS 24 lone 1 100 - 1 - HG2 ARG 19 - HE3 LYS 24 lone 1 100 - 1 - HG2 ARG 19 - HE2 LYS 13 lone 1 99 - 1 - HG LEU 103 - HE3 LYS 12 lone 1 97 - 1 - HG2 ARG 19 - HE3 LYS 13 lone 1 96 - 1 - HB2 ARG 30 - HE3 LYS 12 lone 1 65 - 1 - HB2 ARG 79 - HE3 LYS 12 lone 0 76 - 1 - HB2 LEU 103 - HE2 LYS 13 lone 0 99 - 0 - HB2 LEU 103 - HE3 LYS 13 lone 0 96 - 0 - HG LEU 103 - HE2 LYS 13 lone 0 98 - 0 - HG LEU 103 - HE3 LYS 13 lone 0 94 - 0 - HB2 ARG 79 - HE2 LYS 24 lone 0 81 - 0 - HB2 ARG 79 - HE3 LYS 24 lone 0 81 - 0 - HB2 ARG 79 - HE2 LYS 13 lone 0 79 - 0 - HB2 ARG 30 - HE2 LYS 24 lone 0 70 - 0 - HB2 ARG 30 - HE3 LYS 24 lone 0 70 - 0 - HB2 ARG 79 - HE3 LYS 13 lone 0 73 - 0 - HB2 ARG 30 - HE2 LYS 13 lone 0 68 - 0 - HB2 ARG 30 - HE3 LYS 13 lone 0 62 - 0 - Peak 1144 from cnoeabs.peaks (1.51, 2.96, 41.80 ppm; 3.11 A): 4 out of 70 assignments used, quality = 1.00: HG3 LYS 24 + HE2 LYS 24 OK 85 100 - 85 - 3.7=58, 1101/3.0=7...(26) * HG3 LYS 24 + HE3 LYS 24 OK 85 100 - 85 - 3.7=58, 1101/3.0=7...(26) HG3 LYS 13 + HE2 LYS 13 OK 67 88 - 77 - 3.8=54, 1.8/565=4...(20) HG3 LYS 13 + HE3 LYS 13 OK 63 82 - 77 - 3.8=54, 1.8/565=4...(20) HG3 LYS 24 - HE2 LYS 13 OK 30 99 - 30 - 1104=3, 1103/1.8=2...(7) HG3 LYS 24 - HE3 LYS 13 OK 29 96 - 30 - 1103=3, 1104/1.8=2...(7) HG3 LYS 13 - HE2 LYS 24 OK 25 90 - 28 - 1.8/525=2, ~526=2...(8) HG3 LYS 13 - HE3 LYS 24 OK 25 90 - 28 - 1.8/525=2, ~526=2...(8) HG3 LYS 24 - HE3 LYS 12 OK 25 98 - 26 - ~464=3, 1103=3, ~434=2...(8) HG3 LYS 13 - HE3 LYS 12 OK 22 85 - 26 - ~463=3, 1.8/525=2...(13) HG2 LYS 47 - HE3 LYS 24 OK 17 70 - 25 - 1.8/2176=2, ~2177=2...(4) HG2 LYS 47 - HE2 LYS 24 OK 17 70 - 25 - 1.8/2176=2, ~2177=2...(4) HG2 LYS 47 - HE2 LYS 13 OK 17 68 - 25 - 522/3.8=2, 1.8/2176=2...(4) HG2 LYS 73 - HE2 LYS 13 OK 16 71 - 22 - 1.8/1132=1, 522/3.8=1, ~3309=1 HG2 LYS 47 - HE3 LYS 13 OK 15 62 - 25 - 522/3.8=2, 1.8/2177=2...(4) HG2 LYS 73 - HE2 LYS 24 OK 15 73 - 20 - 1089/3.7=1, 1.8/1132=1 HG2 LYS 73 - HE3 LYS 24 OK 15 73 - 20 - 1089/3.7=1, 1.8/1132=1 HG2 LYS 73 - HE3 LYS 13 OK 14 66 - 22 - 1.8/3279=1, 522/3.8=1 HG3 LYS 66 - HE3 LYS 12 OK 11 73 - 16 - ~464=1, ~461=1, ~462=1 HG2 LYS 66 - HE3 LYS 12 OK 10 65 - 16 - ~464=1, ~461=1, ~462=1 HG3 LYS 33 - HE3 LYS 12 lone 8 97 - 8 - HG3 LYS 33 - HE2 LYS 13 lone 8 98 - 8 - 522/3.8=1 HB2 LEU 14 - HE2 LYS 13 lone 7 79 - 9 - 3.8/6195=3 HG3 LYS 33 - HE3 LYS 13 lone 7 94 - 8 - 522/3.8=1 HB2 LEU 14 - HE3 LYS 13 lone 7 73 - 10 - 3.8/6195=3 HG2 LYS 73 - HE3 LYS 12 lone 6 69 - 9 - ~464=1, ~434=1 HG3 LYS 33 - HE3 LYS 24 lone 6 99 - 6 - HG3 LYS 33 - HE2 LYS 24 lone 6 99 - 6 - HG3 LYS 66 - HE2 LYS 13 lone 5 75 - 7 - HG LEU 2 - HE3 LYS 24 lone 5 97 - 5 - 70/3.0=1, 70/3.0=1 HG LEU 2 - HE2 LYS 24 lone 5 97 - 5 - 70/3.0=1, 70/3.0=1 HG LEU 2 - HE2 LYS 13 lone 5 96 - 5 - 70/2.9=1, 70/2.9=1 HG3 LYS 66 - HE2 LYS 24 lone 5 77 - 6 - HG3 LYS 66 - HE3 LYS 24 lone 5 77 - 6 - HG3 LYS 66 - HE3 LYS 13 lone 5 70 - 7 - HG LEU 2 - HE3 LYS 13 lone 5 90 - 5 - 70/2.9=1, 70/2.9=1 HG2 LYS 66 - HE2 LYS 13 lone 5 68 - 7 - HG2 LYS 66 - HE2 LYS 24 lone 4 70 - 6 - HG2 LYS 66 - HE3 LYS 24 lone 4 70 - 6 - HB2 LEU 14 - HE2 LYS 24 lone 4 81 - 5 - HB2 LEU 14 - HE3 LYS 24 lone 4 81 - 5 - HG2 LYS 66 - HE3 LYS 13 lone 4 62 - 7 - HB2 LEU 14 - HE3 LYS 12 lone 4 76 - 5 - 3.8/6195=2 HB ILE 7 - HE3 LYS 12 lone 4 76 - 5 - ~8267=1 HG LEU 2 - HE3 LYS 12 lone 3 94 - 4 - HG2 LYS 47 - HE3 LYS 12 lone 3 65 - 4 - HB ILE 7 - HE2 LYS 13 lone 2 79 - 3 - HB ILE 7 - HE3 LYS 13 lone 2 73 - 3 - HG LEU 57 - HE2 LYS 13 lone 2 96 - 2 - HB3 LEU 103 - HE3 LYS 24 lone 1 77 - 2 - HB3 LEU 103 - HE2 LYS 24 lone 1 77 - 2 - HG LEU 57 - HE3 LYS 13 lone 1 90 - 2 - HG LEU 57 - HE3 LYS 24 lone 1 97 - 1 - HG LEU 57 - HE2 LYS 24 lone 1 97 - 1 - HB ILE 7 - HE2 LYS 24 lone 1 81 - 1 - HB ILE 7 - HE3 LYS 24 lone 1 81 - 1 - HG LEU 57 - HE3 LYS 12 lone 1 94 - 1 - HB3 LEU 64 - HE2 LYS 13 lone 1 64 - 1 - HB3 LEU 64 - HE3 LYS 13 lone 1 58 - 1 - HB3 LEU 103 - HE3 LYS 12 lone 1 73 - 1 - HG LEU 6 - HE3 LYS 12 lone 1 65 - 1 - HB3 LEU 64 - HE2 LYS 24 lone 1 65 - 1 - HB3 LEU 64 - HE3 LYS 24 lone 1 65 - 1 - HG LEU 6 - HE2 LYS 24 lone 1 70 - 1 - HG LEU 6 - HE3 LYS 24 lone 1 70 - 1 - HG LEU 6 - HE2 LYS 13 lone 0 68 - 1 - HG LEU 6 - HE3 LYS 13 lone 0 62 - 1 - HB3 LEU 103 - HE2 LYS 13 lone 0 75 - 1 - HB3 LEU 103 - HE3 LYS 13 lone 0 70 - 1 - HB3 LEU 64 - HE3 LYS 12 lone 0 61 - 1 - Peak 1145 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.59 A): 10 out of 90 assignments used, quality = 1.00: * HD2 LYS 24 + HE3 LYS 24 OK 78 100 - 78 - 3.0=66, 1101/3.7=3...(16) HD2 LYS 24 + HE2 LYS 24 OK 78 100 - 78 - 3.0=66, 1101/3.7=3...(16) HD3 LYS 24 + HE3 LYS 24 OK 78 100 - 78 - 3.0=66, 1101/3.7=3...(16) HD3 LYS 24 + HE2 LYS 24 OK 78 100 - 78 - 3.0=66, 1101/3.7=3...(16) HD2 LYS 13 + HE2 LYS 13 OK 76 98 - 78 - 2.9=69, 524/3.8=3...(11) HD3 LYS 12 + HE3 LYS 12 OK 76 96 - 79 - 3.0=66, 466/1.8=8...(15) HD2 LYS 12 + HE3 LYS 12 OK 76 96 - 79 - 3.0=66, 466/1.8=8...(15) HD3 LYS 13 + HE2 LYS 13 OK 75 96 - 78 - 2.9=69, 524/3.8=3...(11) HD2 LYS 13 + HE3 LYS 13 OK 73 93 - 78 - 2.9=69, 524/3.8=3...(11) HD3 LYS 13 + HE3 LYS 13 OK 71 90 - 78 - 2.9=69, 524/3.8=3...(11) HD3 LYS 12 - HE2 LYS 13 OK 21 98 - 22 - 3.0/468=2, 3.0/424=2, 524/3.8=1 HD2 LYS 12 - HE2 LYS 13 OK 21 98 - 22 - 3.0/468=2, 3.0/424=2, 524/3.8=1 HD3 LYS 12 - HE3 LYS 13 OK 20 93 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD2 LYS 12 - HE3 LYS 13 OK 20 93 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD2 LYS 12 - HE3 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 12 - HE2 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD3 LYS 12 - HE2 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD3 LYS 12 - HE3 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 13 - HE3 LYS 12 OK 18 96 - 19 - 466/1.8=2, ~463=1...(5) HD2 LYS 24 - HE3 LYS 12 OK 17 98 - 18 - 466/1.8=2, ~464=1...(6) HD3 LYS 24 - HE3 LYS 12 OK 17 98 - 18 - 466/1.8=2, ~464=1...(6) HD3 LYS 13 - HE3 LYS 12 OK 17 94 - 19 - 466/1.8=2, ~463=1...(5) HD2 LYS 13 - HE2 LYS 24 OK 15 99 - 15 - 3.0/525=1 HD2 LYS 13 - HE3 LYS 24 OK 15 99 - 15 - 3.0/525=1 HD2 LYS 24 - HE2 LYS 13 OK 15 99 - 15 - 3.0/1103=1 HD3 LYS 24 - HE2 LYS 13 OK 15 99 - 15 - 3.0/1103=1 HG12 ILE 15 - HE3 LYS 12 OK 15 98 - 15 - ~8445=3, ~10392=2...(4) HD3 LYS 13 - HE3 LYS 24 OK 14 97 - 15 - 3.0/525=1 HD3 LYS 13 - HE2 LYS 24 OK 14 97 - 15 - 3.0/525=1 HD2 LYS 24 - HE3 LYS 13 OK 14 96 - 15 - 3.0/1104=1 HD3 LYS 24 - HE3 LYS 13 OK 14 96 - 15 - 3.0/1103=1 HD3 LYS 66 - HE3 LYS 12 OK 11 95 - 12 - 2947/4.0=2, 2944/4.8=1...(5) HD3 LYS 47 - HE2 LYS 24 poor 9 81 - 11 - HD3 LYS 47 - HE3 LYS 24 poor 9 81 - 11 - HD2 LYS 47 - HE2 LYS 24 poor 8 77 - 11 - HD2 LYS 47 - HE3 LYS 24 poor 8 77 - 11 - HD3 LYS 47 - HE2 LYS 13 poor 8 79 - 11 - HD3 LYS 47 - HE3 LYS 13 poor 8 73 - 11 - HD2 LYS 47 - HE2 LYS 13 lone 7 75 - 10 - HD2 LYS 47 - HE3 LYS 13 lone 7 70 - 10 - HD3 LYS 90 - HE3 LYS 12 lone 6 98 - 6 - HG12 ILE 15 - HE2 LYS 13 lone 6 99 - 6 - 12025/3.8=1 HG12 ILE 15 - HE3 LYS 13 lone 6 95 - 6 - 12025/3.8=1 HD3 LYS 90 - HE3 LYS 24 lone 5 100 - 5 - HD3 LYS 90 - HE2 LYS 24 lone 5 100 - 5 - HG2 PRO 86 - HE3 LYS 24 lone 5 100 - 5 - HG2 PRO 86 - HE2 LYS 24 lone 5 100 - 5 - HD3 LYS 66 - HE2 LYS 13 lone 4 97 - 4 - HD3 LYS 66 - HE3 LYS 13 lone 4 92 - 4 - HD3 LYS 66 - HE2 LYS 24 lone 4 98 - 4 - HD3 LYS 66 - HE3 LYS 24 lone 4 98 - 4 - HB2 LEU 2 - HE2 LYS 13 lone 3 97 - 3 - HB2 LEU 2 - HE3 LYS 13 lone 3 92 - 3 - HB2 LEU 2 - HE3 LYS 24 lone 3 98 - 3 - HB2 LEU 2 - HE2 LYS 24 lone 3 98 - 3 - HG2 PRO 86 - HE2 LYS 13 lone 3 99 - 3 - HG2 PRO 86 - HE3 LYS 13 lone 2 95 - 3 - HG12 ILE 15 - HE2 LYS 24 lone 2 100 - 2 - HG12 ILE 15 - HE3 LYS 24 lone 2 100 - 2 - HG LEU 70 - HE2 LYS 13 lone 2 99 - 2 - HG LEU 70 - HE3 LYS 13 lone 2 95 - 2 - HB2 LEU 2 - HE3 LYS 12 lone 2 95 - 2 - HG LEU 70 - HE3 LYS 12 lone 2 97 - 2 - HD3 LYS 90 - HE2 LYS 13 lone 2 99 - 2 - HD3 LYS 90 - HE3 LYS 13 lone 2 96 - 2 - HB3 LYS 40 - HE3 LYS 12 lone 2 83 - 2 - HG2 PRO 86 - HE3 LYS 12 lone 1 97 - 2 - HD3 LYS 47 - HE3 LYS 12 lone 1 76 - 2 - HD2 LYS 47 - HE3 LYS 12 lone 1 73 - 2 - HB3 ARG 91 - HE2 LYS 13 lone 1 82 - 1 - HG LEU 70 - HE2 LYS 24 lone 1 100 - 1 - HG LEU 70 - HE3 LYS 24 lone 1 100 - 1 - HB3 ARG 91 - HE3 LYS 13 lone 1 76 - 1 - HB3 ARG 91 - HE3 LYS 24 lone 1 84 - 1 - HB3 ARG 91 - HE2 LYS 24 lone 1 84 - 1 - HB3 ARG 91 - HE3 LYS 12 lone 1 80 - 1 - HB3 LYS 53 - HE3 LYS 12 lone 1 88 - 1 - HB3 LYS 40 - HE2 LYS 13 lone 1 85 - 1 - HB3 LYS 40 - HE3 LYS 13 lone 1 79 - 1 - HB3 LYS 40 - HE3 LYS 24 lone 0 87 - 1 - HB3 LYS 40 - HE2 LYS 24 lone 0 87 - 1 - HB3 LYS 53 - HE3 LYS 24 lone 0 92 - 0 - HB3 LYS 53 - HE2 LYS 24 lone 0 92 - 0 - HB3 LYS 53 - HE2 LYS 13 lone 0 90 - 0 - HB3 LYS 53 - HE3 LYS 13 lone 0 84 - 0 - HD2 LYS 20 - HE2 LYS 24 lone 0 65 - 0 - HD2 LYS 20 - HE3 LYS 24 lone 0 65 - 0 - HD2 LYS 20 - HE2 LYS 13 lone 0 64 - 0 - HD2 LYS 20 - HE3 LYS 13 lone 0 58 - 0 - HD2 LYS 20 - HE3 LYS 12 lone 0 61 - 0 - Peak 1146 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.59 A): 10 out of 95 assignments used, quality = 1.00: HD2 LYS 24 + HE2 LYS 24 OK 78 100 - 78 - 3.0=66, 1101/3.7=3...(16) HD2 LYS 24 + HE3 LYS 24 OK 78 100 - 78 - 3.0=66, 1101/3.7=3...(16) * HD3 LYS 24 + HE3 LYS 24 OK 78 100 - 78 - 3.0=66, 1101/3.7=3...(16) HD3 LYS 24 + HE2 LYS 24 OK 78 100 - 78 - 3.0=66, 1101/3.7=3...(16) HD2 LYS 13 + HE2 LYS 13 OK 77 98 - 78 - 2.9=69, 524/3.8=3...(11) HD3 LYS 12 + HE3 LYS 12 OK 77 97 - 79 - 3.0=66, 465/1.8=8...(15) HD2 LYS 12 + HE3 LYS 12 OK 77 97 - 79 - 3.0=66, 465/1.8=8...(15) HD3 LYS 13 + HE2 LYS 13 OK 76 97 - 78 - 2.9=69, 524/3.8=3...(11) HD2 LYS 13 + HE3 LYS 13 OK 74 94 - 78 - 2.9=69, 524/3.8=3...(11) HD3 LYS 13 + HE3 LYS 13 OK 72 92 - 78 - 2.9=69, 524/3.8=3...(11) HD2 LYS 12 - HE2 LYS 13 OK 21 98 - 22 - 3.0/468=2, 3.0/424=2, 524/3.8=1 HD3 LYS 12 - HE2 LYS 13 OK 21 98 - 22 - 3.0/468=2, 3.0/424=2, 524/3.8=1 HD2 LYS 12 - HE3 LYS 13 OK 20 94 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD3 LYS 12 - HE3 LYS 13 OK 20 94 - 22 - 3.0/468=2, 3.0/424=1, 524/3.8=1 HD3 LYS 12 - HE3 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD3 LYS 12 - HE2 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 12 - HE3 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 12 - HE2 LYS 24 OK 19 99 - 19 - 3.0/468=2, 3.0/424=1 HD2 LYS 13 - HE3 LYS 12 OK 18 97 - 19 - 466/1.8=2, ~463=1...(5) HD3 LYS 13 - HE3 LYS 12 OK 18 95 - 19 - 466/1.8=2, ~463=1...(5) HD2 LYS 24 - HE3 LYS 12 OK 17 98 - 18 - 466/1.8=2, ~464=1...(6) HD3 LYS 24 - HE3 LYS 12 OK 17 98 - 18 - 465/1.8=2, ~464=1...(6) HD2 LYS 13 - HE2 LYS 24 OK 15 99 - 15 - 3.0/525=1 HD2 LYS 13 - HE3 LYS 24 OK 15 99 - 15 - 3.0/525=1 HD2 LYS 24 - HE2 LYS 13 OK 15 99 - 15 - 3.0/1104=1 HD3 LYS 24 - HE2 LYS 13 OK 15 99 - 15 - 3.0/1104=1 HG12 ILE 15 - HE3 LYS 12 OK 14 97 - 15 - ~8445=3, ~10392=2...(4) HD3 LYS 13 - HE2 LYS 24 OK 14 98 - 15 - 3.0/525=1 HD3 LYS 13 - HE3 LYS 24 OK 14 98 - 15 - 3.0/525=1 HD2 LYS 24 - HE3 LYS 13 OK 14 96 - 15 - 3.0/1103=1 HD3 LYS 24 - HE3 LYS 13 OK 14 96 - 15 - 3.0/1103=1 HD3 LYS 66 - HE3 LYS 12 OK 11 96 - 12 - 2947/4.0=2, 2944/4.8=1...(5) HD3 LYS 47 - HE2 LYS 24 poor 8 77 - 11 - HD3 LYS 47 - HE3 LYS 24 poor 8 77 - 11 - HD2 LYS 47 - HE2 LYS 24 poor 8 73 - 11 - HD2 LYS 47 - HE3 LYS 24 poor 8 73 - 11 - HD3 LYS 47 - HE2 LYS 13 poor 8 75 - 11 - HD3 LYS 47 - HE3 LYS 13 poor 7 70 - 11 - HD2 LYS 47 - HE2 LYS 13 lone 7 71 - 10 - HD2 LYS 47 - HE3 LYS 13 lone 6 66 - 10 - HD3 LYS 90 - HE3 LYS 12 lone 6 98 - 6 - HG12 ILE 15 - HE2 LYS 13 lone 6 99 - 6 - 12025/3.8=1 HG12 ILE 15 - HE3 LYS 13 lone 6 95 - 6 - 12025/3.8=1 HD3 LYS 90 - HE3 LYS 24 lone 5 100 - 5 - HD3 LYS 90 - HE2 LYS 24 lone 5 100 - 5 - HG2 PRO 86 - HE3 LYS 24 lone 5 99 - 5 - HG2 PRO 86 - HE2 LYS 24 lone 5 99 - 5 - HD3 LYS 66 - HE2 LYS 13 lone 4 98 - 4 - HD3 LYS 66 - HE3 LYS 13 lone 4 93 - 4 - HD3 LYS 66 - HE3 LYS 24 lone 4 99 - 4 - HD3 LYS 66 - HE2 LYS 24 lone 4 99 - 4 - HB2 LEU 2 - HE2 LYS 13 lone 3 98 - 3 - HB2 LEU 2 - HE3 LYS 13 lone 3 93 - 3 - HB2 LEU 2 - HE2 LYS 24 lone 3 99 - 3 - HB2 LEU 2 - HE3 LYS 24 lone 3 99 - 3 - HG2 PRO 86 - HE2 LYS 13 lone 3 98 - 3 - HG2 PRO 86 - HE3 LYS 13 lone 2 94 - 3 - HG12 ILE 15 - HE2 LYS 24 lone 2 100 - 2 - HG12 ILE 15 - HE3 LYS 24 lone 2 100 - 2 - HG LEU 70 - HE2 LYS 13 lone 2 99 - 2 - HB2 LEU 2 - HE3 LYS 12 lone 2 96 - 2 - HG LEU 70 - HE3 LYS 13 lone 2 95 - 2 - HG LEU 70 - HE3 LYS 12 lone 2 98 - 2 - HD3 LYS 90 - HE2 LYS 13 lone 2 99 - 2 - HD3 LYS 90 - HE3 LYS 13 lone 2 96 - 2 - HB3 LYS 40 - HE3 LYS 12 lone 2 80 - 2 - HG2 PRO 86 - HE3 LYS 12 lone 1 97 - 2 - HD3 LYS 47 - HE3 LYS 12 lone 1 73 - 2 - HD2 LYS 47 - HE3 LYS 12 lone 1 69 - 2 - HB3 LEU 70 - HE3 LYS 12 lone 1 58 - 2 - HB3 ARG 91 - HE2 LYS 13 lone 1 79 - 1 - HB3 LEU 70 - HE2 LYS 13 lone 1 60 - 2 - HG LEU 70 - HE3 LYS 24 lone 1 100 - 1 - HG LEU 70 - HE2 LYS 24 lone 1 100 - 1 - HB3 ARG 91 - HE3 LYS 13 lone 1 73 - 1 - HB3 LEU 70 - HE3 LYS 13 lone 1 55 - 2 - HB3 ARG 91 - HE3 LYS 24 lone 1 81 - 1 - HB3 ARG 91 - HE2 LYS 24 lone 1 81 - 1 - HB3 ARG 91 - HE3 LYS 12 lone 1 76 - 1 - HB3 LYS 53 - HE3 LYS 12 lone 1 85 - 1 - HB3 LYS 40 - HE2 LYS 13 lone 1 82 - 1 - HB3 LYS 40 - HE3 LYS 13 lone 1 76 - 1 - HB3 LYS 53 - HE2 LYS 24 lone 0 90 - 0 - HB3 LYS 53 - HE3 LYS 24 lone 0 90 - 0 - HB3 LYS 40 - HE3 LYS 24 lone 0 84 - 1 - HB3 LYS 40 - HE2 LYS 24 lone 0 84 - 1 - HB3 LEU 70 - HE2 LYS 24 lone 0 61 - 1 - HB3 LEU 70 - HE3 LYS 24 lone 0 61 - 1 - HB3 LYS 53 - HE2 LYS 13 lone 0 88 - 0 - HB3 LYS 53 - HE3 LYS 13 lone 0 82 - 0 - HD2 LYS 20 - HE2 LYS 24 lone 0 61 - 0 - HD2 LYS 20 - HE3 LYS 24 lone 0 61 - 0 - HD2 LYS 20 - HE2 LYS 13 lone 0 60 - 0 - HD2 LYS 20 - HE3 LYS 13 lone 0 55 - 0 - HD2 LYS 20 - HE3 LYS 12 lone 0 58 - 0 - Peak 1147 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 99 99 - 100 HE3 LYS 12 + HE3 LYS 12 OK 97 97 - 100 HE3 LYS 13 + HE3 LYS 13 OK 94 94 - 100 Reference assignment not found: HE2 LYS 24 - HE3 LYS 24 Peak 1148 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 99 99 - 100 HE3 LYS 12 + HE3 LYS 12 OK 97 97 - 100 HE3 LYS 13 + HE3 LYS 13 OK 94 94 - 100 Peak 1150 from cnoeabs.peaks (7.71, 4.41, 51.21 ppm; 3.37 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 25 + HA ALA 25 OK 100 100 - 100 - 3.0=100 H LEU 64 - HA ALA 25 OK 21 97 - 22 - 1155/2.1=7, 6411/3.6=5...(7) H SER 49 - HA ALA 25 poor 9 77 - 12 - 1155/2.1=2, 2.9/9075=2...(4) Peak 1151 from cnoeabs.peaks (4.41, 4.41, 51.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 25 + HA ALA 25 OK 100 100 - 100 Peak 1152 from cnoeabs.peaks (1.34, 4.41, 51.21 ppm; 2.78 A): 1 out of 10 assignments used, quality = 1.00: * QB ALA 25 + HA ALA 25 OK 100 100 - 100 - 2.1=100 HB3 LEU 27 - HA ALA 25 OK 29 99 - 29 - 4.0/8605=8, ~10475=5...(11) QB ALA 89 - HA ALA 25 OK 12 100 - 12 - 10971/4.8=3, 9938/3.0=3 HB3 LEU 2 - HA ALA 25 OK 11 98 - 11 - 67/3.6=3, 6408/3.0=1, ~55=1 HG2 LYS 94 - HA ALA 25 OK 10 100 - 10 - ~8622=2, 6408/3.0=1, ~4223=1 HG LEU 14 - HA ALA 25 lone 7 90 - 7 - 8407/4.8=2, ~10413=1, 6408/3.0=1 HB2 LYS 82 - HA ALA 25 lone 7 99 - 7 - 3.5/10472=1, 6413/3.6=1 QB ALA 67 - HA ALA 25 lone 5 100 - 5 - ~10334=1 HG2 LYS 39 - HA ALA 25 lone 3 98 - 3 - HG3 LYS 68 - HA ALA 25 lone 2 92 - 2 - Peak 1153 from cnoeabs.peaks (7.84, 4.41, 51.21 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 26 + HA ALA 25 OK 100 100 - 100 - 3.6=100 H LYS 73 - HA ALA 25 OK 19 100 - 19 - 6409/3.0=6, 1158/2.1=5...(6) H LEU 3 - HA ALA 25 OK 15 99 - 15 - 1158/2.1=6, 6409/3.0=4...(4) H TYR 41 - HA ALA 25 lone 3 70 - 5 - 1158/2.1=1 Peak 1154 from cnoeabs.peaks (3.83, 1.34, 18.52 ppm; 3.28 A): 2 out of 5 assignments used, quality = 0.62: * HA ALA 22 + QB ALA 25 OK 50 100 - 50 - 1006=18, 1005/2.9=17...(8) HA SER 97 + QB ALA 25 OK 24 92 - 26 - 3.0/10130=5, 10069=5...(8) HA ALA 71 - QB ALA 25 lone 6 61 - 10 - 8608/3.6=3, 3.0/10476=2 HA ARG 19 - QB ALA 25 lone 2 70 - 3 - 6394/2.9=1 HB3 SER 102 - QB ALA 25 lone 1 73 - 2 - Peak 1155 from cnoeabs.peaks (7.71, 1.34, 18.52 ppm; 2.99 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 25 + QB ALA 25 OK 100 100 - 100 - 2.9=100 H LEU 64 - QB ALA 25 OK 23 97 - 24 - 1150/2.1=4, 6411/3.6=4...(9) H SER 49 - QB ALA 25 lone 8 77 - 10 - 3.9/10334=2, 1150/2.1=2, ~9075=1 Peak 1156 from cnoeabs.peaks (4.41, 1.34, 18.52 ppm; 2.76 A): 1 out of 9 assignments used, quality = 1.00: * HA ALA 25 + QB ALA 25 OK 100 100 - 100 - 2.1=100 HA MET 21 - QB ALA 25 OK 13 100 - 14 - 6393/2.9=3, 6412/3.6=1...(5) HA MET 74 - QB ALA 25 lone 9 92 - 10 - 6393/2.9=1, 6412/3.6=1...(4) HA VAL 32 - QB ALA 25 lone 7 100 - 7 - 3.2/10336=2, 6393/2.9=1 HA GLU 48 - QB ALA 25 lone 6 77 - 7 - 4.1/8625=1 HA GLN 50 - QB ALA 25 lone 3 77 - 3 - HA HIS 106 - QB ALA 25 lone 2 98 - 2 - HA ILE 76 - QB ALA 25 lone 2 77 - 2 - HA SER 9 - QB ALA 25 lone 1 73 - 1 - Peak 1157 from cnoeabs.peaks (1.34, 1.34, 18.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 25 + QB ALA 25 OK 100 100 - 100 Peak 1158 from cnoeabs.peaks (7.84, 1.34, 18.52 ppm; 3.78 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 26 + QB ALA 25 OK 100 100 - 100 - 3.6=100 H LEU 3 - QB ALA 25 OK 28 99 - 28 - 6020=6, 6409/2.9=4...(10) H LYS 73 - QB ALA 25 OK 23 100 - 23 - 6409/2.9=7, 1153/2.1=5...(6) H TYR 41 - QB ALA 25 lone 5 70 - 8 - 3.6/10334=2 Peak 1159 from cnoeabs.peaks (7.84, 4.36, 54.31 ppm; 3.03 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 26 + HA ASN 26 OK 100 100 - 100 - 3.0=100 H LEU 3 - HA ASN 26 OK 18 99 - 18 - 8088/4.9=5, 6433/3.6=4...(8) H LYS 73 - HA ASN 26 OK 15 100 - 15 - 10856/3.6=4, 3.6/10478=3...(5) H TYR 41 - HA ASN 26 lone 2 70 - 2 - Peak 1160 from cnoeabs.peaks (4.36, 4.36, 54.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 26 + HA ASN 26 OK 100 100 - 100 Peak 1161 from cnoeabs.peaks (2.74, 4.36, 54.31 ppm; 3.49 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 26 + HA ASN 26 OK 100 100 - 100 - 3.0=100 HB3 ASP 61 - HA ASN 26 OK 44 99 - 44 - 2720=12, 1175/3.0=5...(15) HE2 LYS 82 - HA ASN 26 OK 36 100 - 36 - 9769=5, 6415/3.0=5...(13) HB3 ASN 10 - HA ASN 26 lone 1 70 - 2 - Peak 1162 from cnoeabs.peaks (3.07, 4.36, 54.31 ppm; 3.36 A): 1 out of 7 assignments used, quality = 1.00: * HB3 ASN 26 + HA ASN 26 OK 100 100 - 100 - 3.0=100 HD2 ARG 79 - HA ASN 26 OK 16 99 - 16 - 12330/4.9=4, 6436/3.6=3...(7) HD3 ARG 79 - HA ASN 26 OK 15 97 - 16 - 12330/4.9=4, 6436/3.6=3...(7) HB3 ASN 60 - HA ASN 26 OK 11 96 - 11 - 4.4/6996=3, 1169/3.0=1...(4) HB3 HIS 105 - HA ASN 26 lone 2 100 - 2 - HD3 ARG 30 - HA ASN 26 lone 2 70 - 3 - HB3 HIS 106 - HA ASN 26 lone 2 84 - 2 - Peak 1165 from cnoeabs.peaks (8.24, 4.36, 54.31 ppm; 3.48 A): 1 out of 3 assignments used, quality = 0.97: * H LEU 27 + HA ASN 26 OK 97 100 - 97 - 3.6=92, 6419/3.0=27...(8) H ALA 71 - HA ASN 26 poor 7 61 - 11 - 6419/3.0=3, ~8608=2...(5) H PHE 45 - HA ASN 26 lone 3 61 - 4 - Peak 1166 from cnoeabs.peaks (7.84, 2.74, 36.97 ppm; 3.78 A): 1 out of 4 assignments used, quality = 0.99: * H ASN 26 + HB2 ASN 26 OK 99 100 - 99 - 3.8=98, 6414/3.0=29...(6) H LEU 3 - HB2 ASN 26 OK 19 99 - 20 - 1173/1.8=5, 1159/3.0=5...(6) H LYS 73 - HB2 ASN 26 OK 17 100 - 17 - 10856/4.7=5, 1173/1.8=5...(5) H TYR 41 - HB2 ASN 26 lone 2 70 - 3 - Peak 1167 from cnoeabs.peaks (4.36, 2.74, 36.97 ppm; 3.18 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 26 + HB2 ASN 26 OK 100 100 - 100 - 3.0=100 HA ASP 61 - HB2 ASN 26 OK 39 96 - 41 - 1174/1.8=8, 2712=8...(15) HA ARG 81 - HB2 ASN 26 OK 19 99 - 19 - 1174/1.8=4, 3.9/8629=2...(9) Peak 1168 from cnoeabs.peaks (2.74, 2.74, 36.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 26 + HB2 ASN 26 OK 100 100 - 100 Peak 1169 from cnoeabs.peaks (3.07, 2.74, 36.97 ppm; 2.40 A): 1 out of 7 assignments used, quality = 1.00: * HB3 ASN 26 + HB2 ASN 26 OK 100 100 - 100 - 1.8=100 HD2 ARG 79 - HB2 ASN 26 lone 5 99 - 5 - 1162/3.0=1, 6436/4.7=1 HB3 ASN 60 - HB2 ASN 26 lone 5 96 - 5 - 4.4/6998=1 HD3 ARG 79 - HB2 ASN 26 lone 5 97 - 5 - 1162/3.0=1 HB3 HIS 105 - HB2 ASN 26 lone 1 100 - 1 - HD3 ARG 30 - HB2 ASN 26 lone 1 70 - 1 - HB3 HIS 106 - HB2 ASN 26 lone 1 84 - 1 - Peak 1170 from cnoeabs.peaks (6.75, 2.74, 36.97 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 26 + HB2 ASN 26 OK 100 100 - 100 - 3.5=100 Peak 1171 from cnoeabs.peaks (7.47, 2.74, 36.97 ppm; 3.64 A): 1 out of 5 assignments used, quality = 1.00: * HD22 ASN 26 + HB2 ASN 26 OK 100 100 - 100 - 3.5=100 H LYS 47 - HB2 ASN 26 OK 13 99 - 14 - 1178/1.8=4, 6418/3.8=3...(5) H ARG 91 - HB2 ASN 26 OK 11 100 - 11 - 1178/1.8=3, ~10481=3...(4) HE ARG 46 - HB2 ASN 26 lone 3 100 - 3 - 1178/1.8=1 HE ARG 19 - HB2 ASN 26 lone 1 73 - 1 - Peak 1172 from cnoeabs.peaks (8.24, 2.74, 36.97 ppm; 4.59 A): 1 out of 3 assignments used, quality = 0.99: * H LEU 27 + HB2 ASN 26 OK 99 100 - 99 - 4.7=96, 1179/1.8=38...(7) H ALA 71 - HB2 ASN 26 poor 7 61 - 11 - 6419/3.8=3, 1179/1.8=3 H PHE 45 - HB2 ASN 26 lone 4 61 - 6 - 1179/1.8=2, 6419/3.8=1 Peak 1173 from cnoeabs.peaks (7.84, 3.07, 36.97 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 26 + HB3 ASN 26 OK 100 100 - 100 - 3.8=100 H LEU 3 - HB3 ASN 26 OK 20 99 - 20 - 1166/1.8=5, 1159/3.0=5...(6) H LYS 73 - HB3 ASN 26 OK 18 100 - 18 - 10856/4.7=6, 1166/1.8=5...(5) H TYR 41 - HB3 ASN 26 lone 3 70 - 5 - 3.6/10481=2 Peak 1174 from cnoeabs.peaks (4.36, 3.07, 36.97 ppm; 3.07 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 26 + HB3 ASN 26 OK 100 100 - 100 - 3.0=100 HA ASP 61 - HB3 ASN 26 OK 33 96 - 35 - 1167/1.8=8, 3.0/6993=5...(14) HA ARG 81 - HB3 ASN 26 OK 17 99 - 17 - 1167/1.8=4, 6414/3.8=2...(10) Peak 1175 from cnoeabs.peaks (2.74, 3.07, 36.97 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 26 + HB3 ASN 26 OK 100 100 - 100 - 1.8=100 HB3 ASP 61 - HB3 ASN 26 OK 19 99 - 19 - 3.0/1174=3, 2720/3.0=3...(10) HE2 LYS 82 - HB3 ASN 26 OK 13 100 - 13 - 1161/3.0=2, ~3733=2...(6) HB3 ASN 10 - HB3 ASN 26 lone 1 70 - 1 - Peak 1176 from cnoeabs.peaks (3.07, 3.07, 36.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 26 + HB3 ASN 26 OK 100 100 - 100 Peak 1177 from cnoeabs.peaks (6.75, 3.07, 36.97 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 26 + HB3 ASN 26 OK 100 100 - 100 - 3.5=100 Peak 1178 from cnoeabs.peaks (7.47, 3.07, 36.97 ppm; 3.78 A): 1 out of 5 assignments used, quality = 1.00: * HD22 ASN 26 + HB3 ASN 26 OK 100 100 - 100 - 3.5=100 H LYS 47 - HB3 ASN 26 OK 15 99 - 15 - 1171/1.8=4, 6418/3.8=3...(6) H ARG 91 - HB3 ASN 26 OK 12 100 - 12 - 3.0/10481=4, 1171/1.8=3...(4) HE ARG 46 - HB3 ASN 26 lone 4 100 - 4 - 1171/1.8=1 HE ARG 19 - HB3 ASN 26 lone 1 73 - 1 - Peak 1179 from cnoeabs.peaks (8.24, 3.07, 36.97 ppm; 4.35 A): 1 out of 3 assignments used, quality = 0.95: * H LEU 27 + HB3 ASN 26 OK 95 100 - 95 - 4.7=81, 1165/3.0=35...(8) H ALA 71 - HB3 ASN 26 poor 7 61 - 11 - 6419/3.8=3, 1165/3.0=2 H PHE 45 - HB3 ASN 26 lone 4 61 - 6 - 1172/1.8=1, 6419/3.8=1 Peak 1180 from cnoeabs.peaks (8.24, 4.65, 52.92 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 27 + HA LEU 27 OK 100 100 - 100 - 3.0=100 H ALA 71 - HA LEU 27 OK 20 61 - 32 - 1188/3.0=5, 1196/3.0=5...(10) H PHE 45 - HA LEU 27 poor 8 61 - 13 - 1196/3.0=2, 1188/3.0=2...(6) Peak 1181 from cnoeabs.peaks (4.65, 4.65, 52.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 27 + HA LEU 27 OK 100 100 - 100 Peak 1182 from cnoeabs.peaks (1.46, 4.65, 52.92 ppm; 4.23 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LEU 27 + HA LEU 27 OK 100 100 - 100 - 3.0=100 HD2 LYS 82 + HA LEU 27 OK 48 100 - 49 - 1198/3.0=6, 6440/3.0=5...(20) HD2 LYS 40 - HA LEU 27 OK 37 97 - 39 - 1198/3.0=4, 6440/3.0=3...(20) HD3 LYS 40 - HA LEU 27 OK 37 96 - 38 - 1198/3.0=4, 6440/3.0=3...(20) HG13 ILE 52 - HA LEU 27 OK 19 100 - 19 - 3.2/1186=2, 1198/3.0=2...(9) HG2 LYS 12 - HA LEU 27 OK 19 87 - 22 - 1.8/1184=3, 1222/4.0=2...(11) HD2 LYS 53 - HA LEU 27 OK 17 100 - 17 - 2444/8080=2, 6449/3.6=2...(7) HG2 LYS 53 - HA LEU 27 OK 15 98 - 15 - 882/3.6=2, 1214/4.0=2...(6) HG2 LYS 20 - HA LEU 27 OK 14 100 - 14 - 882/3.6=4, 4.9/1187=2...(4) HG3 LYS 39 - HA LEU 27 OK 12 73 - 17 - 1.8/1183=2, 1198/3.0=2...(5) HG3 LYS 53 - HA LEU 27 OK 12 90 - 13 - 6449/3.6=1, 1214/4.0=1...(5) HB2 LEU 38 - HA LEU 27 OK 10 100 - 10 - 1198/3.0=1, 6440/3.0=1 HG LEU 38 - HA LEU 27 lone 9 100 - 9 - HG3 ARG 91 - HA LEU 27 lone 6 99 - 6 - Peak 1183 from cnoeabs.peaks (1.34, 4.65, 52.92 ppm; 3.47 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LEU 27 + HA LEU 27 OK 100 100 - 100 - 3.0=100 QB ALA 25 + HA LEU 27 OK 48 99 - 49 - 10476/3.0=14, ~8605=10...(12) HB2 LYS 82 - HA LEU 27 OK 30 100 - 31 - 1191/3.0=4, 9764/4.9=3...(16) HG2 LYS 94 - HA LEU 27 OK 23 99 - 24 - 1191/3.0=3, 4215/4.3=3...(13) HG3 LYS 40 - HA LEU 27 OK 17 77 - 22 - ~10482=2, 3.0/1182=2...(11) HB3 LEU 2 - HA LEU 27 OK 16 90 - 18 - 4.6/8088=5, 6441/3.0=1...(6) HG2 LYS 39 - HA LEU 27 OK 13 100 - 13 - 1191/3.0=2, 6441/3.0=1...(4) QB ALA 67 - HA LEU 27 lone 9 97 - 10 - 6450/3.6=2, 1215/4.0=1 QB ALA 89 - HA LEU 27 lone 9 99 - 9 - 9932/4.0=2, 6441/3.0=1 HG3 LYS 68 - HA LEU 27 lone 9 99 - 9 - 6450/3.6=1, 1191/3.0=1 HG LEU 14 - HA LEU 27 lone 5 98 - 5 - HG12 ILE 8 - HA LEU 27 lone 3 61 - 5 - Peak 1184 from cnoeabs.peaks (1.60, 4.65, 52.92 ppm; 3.97 A): 2 out of 13 assignments used, quality = 0.99: * HG LEU 27 + HA LEU 27 OK 96 100 - 96 - 4.3=80, 2.1/1213=35...(14) HB2 ARG 79 + HA LEU 27 OK 62 100 - 62 - 12329=22, 1.8/12328=18...(13) HD3 LYS 94 - HA LEU 27 OK 30 100 - 31 - 1200/3.0=5, 1192/3.0=4...(12) HB3 LEU 29 - HA LEU 27 OK 22 100 - 22 - 6451/3.6=4, 1192/3.0=3...(8) HG3 LYS 12 - HA LEU 27 OK 20 99 - 20 - 1192/3.0=3, 1224/4.0=3...(8) HB2 ARG 30 - HA LEU 27 OK 17 99 - 17 - 6442/3.0=2, 1192/3.0=2...(9) HD2 LYS 66 - HA LEU 27 OK 12 100 - 12 - 2930/3.6=3, 6.1/1187=1...(6) HG2 ARG 19 - HA LEU 27 poor 9 84 - 10 - 816/3.6=2, 4.9/1187=2...(5) HG3 LYS 73 - HA LEU 27 lone 8 100 - 8 - 6442/3.0=2, 1200/3.0=1 HB2 LEU 103 - HA LEU 27 lone 5 84 - 6 - 6451/3.6=2 HG2 LYS 24 - HA LEU 27 lone 4 87 - 4 - 6442/3.0=1 HG LEU 103 - HA LEU 27 lone 4 73 - 5 - HG3 LYS 90 - HA LEU 27 lone 3 81 - 4 - Peak 1185 from cnoeabs.peaks (0.73, 4.65, 52.92 ppm; 3.15 A): 8 out of 9 assignments used, quality = 0.95: * QD2 LEU 27 + HA LEU 27 OK 80 100 - 80 - 4.0=48, 1212/3.0=12...(15) QG1 VAL 5 + HA LEU 27 OK 35 100 - 36 - ~8634=6, ~8633=6...(11) HG13 ILE 93 + HA LEU 27 OK 21 81 - 27 - 2.1/1186=4, 1193/3.0=3...(14) QG2 VAL 78 + HA LEU 27 OK 15 96 - 16 - 4.3/11118=6, 1201/3.0=1...(4) HG3 ARG 81 + HA LEU 27 OK 15 92 - 16 - ~8634=3, 3611/4.9=2...(7) QD1 LEU 64 + HA LEU 27 OK 11 87 - 13 - 9483/4.9=3, 6443/3.0=2...(5) QG1 VAL 58 + HA LEU 27 OK 11 94 - 12 - 9384/3.0=2, 9383/3.0=2 QG1 VAL 78 + HA LEU 27 OK 10 73 - 14 - 4.3/11118=6 HG13 ILE 56 - HA LEU 27 poor 10 77 - 12 - 1.8/9317=3, 1201/3.0=1 Peak 1186 from cnoeabs.peaks (0.77, 4.65, 52.92 ppm; 3.76 A): 1 out of 10 assignments used, quality = 0.97: * QD1 LEU 27 + HA LEU 27 OK 97 100 - 97 - 4.0=82, 2.1/1213=33...(14) QD1 ILE 93 - HA LEU 27 OK 39 100 - 40 - 10321/3.0=7, 1194/3.0=5...(16) QG2 ILE 93 - HA LEU 27 OK 19 65 - 30 - 3.2/1185=3, 1202/3.0=3...(15) QD1 ILE 15 - HA LEU 27 OK 14 94 - 15 - 8436/3.6=4, 6444/3.0=2...(6) QG2 ILE 52 - HA LEU 27 OK 14 92 - 15 - 1194/3.0=2, 1202/3.0=2...(7) QG1 VAL 54 - HA LEU 27 OK 13 97 - 13 - 6453/3.6=2, 1194/3.0=2...(6) QD2 LEU 42 - HA LEU 27 lone 10 100 - 9 - 1194/3.0=2, 1202/3.0=1 HG13 ILE 15 - HA LEU 27 poor 9 81 - 12 - 1202/3.0=1, 1194/3.0=1...(8) QD1 LEU 6 - HA LEU 27 lone 8 100 - 8 - 6453/3.6=1, 1194/3.0=1...(4) QG2 ILE 8 - HA LEU 27 lone 5 65 - 7 - Peak 1187 from cnoeabs.peaks (7.80, 4.65, 52.92 ppm; 2.99 A): 5 out of 6 assignments used, quality = 0.86: * H GLU 28 + HA LEU 27 OK 76 100 - 76 - 3.6=59, 6445/3.0=11...(9) H LYS 66 + HA LEU 27 OK 14 99 - 14 - 1203/3.0=3, 6445/3.0=3...(6) H LYS 20 + HA LEU 27 OK 12 98 - 12 - 1195/3.0=2, 1203/3.0=2...(5) H GLU 99 + HA LEU 27 OK 11 99 - 11 - 10084/8086=2, 1203/3.0=2...(6) HE ARG 30 + HA LEU 27 OK 11 94 - 11 - 1195/3.0=2, 1203/3.0=2...(5) H SER 9 - HA LEU 27 lone 4 84 - 5 - Peak 1188 from cnoeabs.peaks (8.24, 1.46, 44.09 ppm; 3.81 A): 1 out of 3 assignments used, quality = 0.96: * H LEU 27 + HB2 LEU 27 OK 96 100 - 96 - 4.0=86, 1220/3.1=20...(16) H ALA 71 - HB2 LEU 27 OK 21 61 - 34 - 1196/1.8=6, 1204/3.0=5...(10) H PHE 45 - HB2 LEU 27 poor 8 61 - 13 - 1196/1.8=3, 1220/3.1=2...(6) Peak 1189 from cnoeabs.peaks (4.65, 1.46, 44.09 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 27 + HB2 LEU 27 OK 100 100 - 100 - 3.0=100 HA LEU 55 - HB2 LEU 27 OK 22 65 - 34 - 1197/1.8=7, 1213/3.1=5...(11) Peak 1190 from cnoeabs.peaks (1.46, 1.46, 44.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 27 + HB2 LEU 27 OK 100 100 - 100 Peak 1191 from cnoeabs.peaks (1.34, 1.46, 44.09 ppm; 2.81 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LEU 27 + HB2 LEU 27 OK 100 100 - 100 - 1.8=100 QB ALA 25 - HB2 LEU 27 OK 33 99 - 34 - 10476/4.0=7, 10475/3.0=7...(12) HB2 LYS 82 - HB2 LEU 27 OK 30 100 - 31 - 3654=3, ~3661=2...(16) HG2 LYS 94 - HB2 LEU 27 OK 25 99 - 25 - 4215/3.0=3, 3.0/1192=2...(12) HG3 LYS 40 - HB2 LEU 27 OK 16 77 - 20 - 1.8/10482=2, 1823=1...(9) HG2 LYS 39 - HB2 LEU 27 OK 13 100 - 13 - HB3 LEU 2 - HB2 LEU 27 OK 11 90 - 12 - 3.1/12040=2, 3.1/12039=2, ~55=1 HG3 LYS 68 - HB2 LEU 27 lone 8 99 - 8 - QB ALA 67 - HB2 LEU 27 lone 8 97 - 8 - QB ALA 89 - HB2 LEU 27 lone 7 99 - 7 - 9932/3.1=2 HG LEU 14 - HB2 LEU 27 lone 5 98 - 5 - HG12 ILE 8 - HB2 LEU 27 lone 3 61 - 5 - Peak 1192 from cnoeabs.peaks (1.60, 1.46, 44.09 ppm; 3.55 A): 1 out of 13 assignments used, quality = 1.00: * HG LEU 27 + HB2 LEU 27 OK 100 100 - 100 - 3.0=100 HD3 LYS 94 - HB2 LEU 27 OK 40 100 - 40 - 4245/1.8=5, 1224/3.1=4...(20) HB2 ARG 79 - HB2 LEU 27 OK 38 100 - 38 - 12329/3.0=12, ~12328=8...(11) HB3 LEU 29 - HB2 LEU 27 OK 28 100 - 28 - 1.8/10482=3, 1200/1.8=3...(12) HG3 LYS 12 - HB2 LEU 27 OK 26 99 - 27 - 1224/3.1=3, 1200/1.8=3...(11) HB2 ARG 30 - HB2 LEU 27 OK 15 99 - 15 - 1200/1.8=2, 1224/3.1=2...(7) HD2 LYS 66 - HB2 LEU 27 OK 11 100 - 11 - 2930/4.4=2, 1200/1.8=2...(5) HG2 ARG 19 - HB2 LEU 27 poor 10 84 - 12 - 4.9/1195=2, 816/4.4=1...(4) HG3 LYS 73 - HB2 LEU 27 lone 9 100 - 9 - 1200/1.8=1, 6442/4.0=1 HB2 LEU 103 - HB2 LEU 27 lone 5 84 - 6 - HG2 LYS 24 - HB2 LEU 27 lone 4 87 - 5 - HG3 LYS 90 - HB2 LEU 27 lone 4 81 - 5 - HG LEU 103 - HB2 LEU 27 lone 4 73 - 5 - Peak 1193 from cnoeabs.peaks (0.73, 1.46, 44.09 ppm; 3.55 A): 2 out of 9 assignments used, quality = 1.00: * QD2 LEU 27 + HB2 LEU 27 OK 100 100 - 100 - 3.1=100 QG1 VAL 5 + HB2 LEU 27 OK 54 100 - 55 - 2.1/8633=15, ~8634=11...(15) HG13 ILE 93 - HB2 LEU 27 OK 37 81 - 46 - 2.1/1194=6, ~10321=5...(20) HG3 ARG 81 - HB2 LEU 27 OK 24 92 - 26 - ~8634=6, 2.9/8633=5...(8) QG1 VAL 58 - HB2 LEU 27 OK 20 94 - 21 - 9384/1.8=4, 2.1/9379=2...(7) QG2 VAL 78 - HB2 LEU 27 OK 17 96 - 18 - 1185/3.0=2, 1201/1.8=2...(6) QD1 LEU 64 - HB2 LEU 27 OK 15 87 - 17 - 1201/1.8=2, 6443/4.0=2...(7) HG13 ILE 56 - HB2 LEU 27 OK 14 77 - 18 - ~9317=3, 2.1/12201=2...(7) QG1 VAL 78 - HB2 LEU 27 OK 11 73 - 15 - 1185/3.0=2, 1201/1.8=1...(5) Peak 1194 from cnoeabs.peaks (0.77, 1.46, 44.09 ppm; 3.46 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 27 + HB2 LEU 27 OK 100 100 - 100 - 3.1=100 QD1 ILE 93 + HB2 LEU 27 OK 46 100 - 46 - 10321/1.8=8, 1210/3.0=5...(19) QG2 ILE 93 - HB2 LEU 27 OK 26 65 - 40 - 1202/1.8=4, ~10321=3...(19) QG2 ILE 52 - HB2 LEU 27 OK 19 92 - 21 - 1202/1.8=2, 2355=2...(8) QD1 ILE 15 - HB2 LEU 27 OK 17 94 - 17 - 8436/4.4=3, 1202/1.8=2...(7) QD2 LEU 42 - HB2 LEU 27 OK 14 100 - 13 - 12083=2, 1202/1.8=2...(6) QG1 VAL 54 - HB2 LEU 27 OK 13 97 - 13 - 1202/1.8=2, 2.1/10208=1...(6) HG13 ILE 15 - HB2 LEU 27 OK 11 81 - 13 - 1202/1.8=2, 2.1/8468=1...(5) QD1 LEU 6 - HB2 LEU 27 lone 9 100 - 9 - 1202/1.8=1 QG2 ILE 8 - HB2 LEU 27 lone 6 65 - 9 - Peak 1195 from cnoeabs.peaks (7.80, 1.46, 44.09 ppm; 4.04 A): 2 out of 6 assignments used, quality = 0.96: * H GLU 28 + HB2 LEU 27 OK 94 100 - 94 - 4.4=79, 6448/3.0=34...(9) H LYS 20 + HB2 LEU 27 OK 32 98 - 33 - 6309=5, 1203/1.8=5...(10) H LYS 66 - HB2 LEU 27 OK 29 99 - 29 - 1203/1.8=6, 1219/3.1=5...(7) HE ARG 30 - HB2 LEU 27 OK 26 94 - 27 - 1203/1.8=5, 1219/3.1=4...(11) H GLU 99 - HB2 LEU 27 OK 19 99 - 20 - 1203/1.8=4, 1187/3.0=3...(7) H SER 9 - HB2 LEU 27 poor 9 84 - 11 - 1203/1.8=2, 1227/3.1=1...(4) Peak 1196 from cnoeabs.peaks (8.24, 1.34, 44.09 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 27 + HB3 LEU 27 OK 100 100 - 100 - 4.0=100 H ALA 71 - HB3 LEU 27 OK 24 61 - 40 - 1188/1.8=7, 3.0/8639=6...(11) H PHE 45 - HB3 LEU 27 OK 10 61 - 16 - 1188/1.8=3, 1220/3.1=3...(7) Peak 1197 from cnoeabs.peaks (4.65, 1.34, 44.09 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 27 + HB3 LEU 27 OK 100 100 - 100 - 3.0=100 HA LEU 55 - HB3 LEU 27 OK 21 65 - 31 - 1189/1.8=7, 1213/3.1=5...(11) Peak 1198 from cnoeabs.peaks (1.46, 1.34, 44.09 ppm; 2.81 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LEU 27 + HB3 LEU 27 OK 100 100 - 100 - 1.8=100 HD2 LYS 82 - HB3 LEU 27 OK 39 100 - 39 - 1.8/3705=4, 3694=3...(19) HD2 LYS 40 - HB3 LEU 27 OK 25 97 - 26 - 3694=2, 1206/3.0=2...(8) HD3 LYS 40 - HB3 LEU 27 OK 25 96 - 26 - 3694=2, 1206/3.0=2...(8) HG2 LYS 12 - HB3 LEU 27 OK 13 87 - 15 - 1.8/1200=2, 1206/3.0=1...(4) HG13 ILE 52 - HB3 LEU 27 OK 11 100 - 11 - 3.2/1202=1 HG3 LYS 39 - HB3 LEU 27 poor 10 73 - 13 - 1717=1 HD2 LYS 53 - HB3 LEU 27 lone 9 100 - 9 - 1214/3.1=1, 1222/3.1=1, ~10132=1 HG2 LYS 53 - HB3 LEU 27 lone 8 98 - 8 - HB2 LEU 38 - HB3 LEU 27 lone 7 100 - 7 - HG2 LYS 20 - HB3 LEU 27 lone 7 100 - 7 - 882/4.4=1, 4.9/1203=1 HG3 LYS 53 - HB3 LEU 27 lone 7 90 - 7 - HG LEU 38 - HB3 LEU 27 lone 5 100 - 5 - HG3 ARG 91 - HB3 LEU 27 lone 3 99 - 3 - Peak 1199 from cnoeabs.peaks (1.34, 1.34, 44.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 27 + HB3 LEU 27 OK 100 100 - 100 Peak 1200 from cnoeabs.peaks (1.60, 1.34, 44.09 ppm; 3.70 A): 2 out of 13 assignments used, quality = 1.00: * HG LEU 27 + HB3 LEU 27 OK 100 100 - 100 - 3.0=100 HD3 LYS 94 + HB3 LEU 27 OK 50 100 - 50 - 4245=7, 1192/1.8=5...(23) HB2 ARG 79 - HB3 LEU 27 OK 41 100 - 41 - 12329/3.0=13, ~12328=9...(12) HB3 LEU 29 - HB3 LEU 27 OK 29 100 - 29 - 1192/1.8=4, 6451/4.4=3...(13) HG3 LYS 12 - HB3 LEU 27 OK 27 99 - 27 - 1192/1.8=3, 1224/3.1=3...(11) HB2 ARG 30 - HB3 LEU 27 OK 17 99 - 17 - 1192/1.8=2, 1224/3.1=2...(8) HD2 LYS 66 - HB3 LEU 27 OK 14 100 - 14 - 2930/4.4=2, 6.1/1203=2...(7) HG2 ARG 19 - HB3 LEU 27 OK 11 84 - 13 - 4.9/1203=2, 816/4.4=2...(5) HG3 LYS 73 - HB3 LEU 27 OK 11 100 - 10 - 6442/4.0=1, 1192/1.8=1...(4) HB2 LEU 103 - HB3 LEU 27 lone 6 84 - 7 - 6451/4.4=1 HG2 LYS 24 - HB3 LEU 27 lone 6 87 - 7 - HG3 LYS 90 - HB3 LEU 27 lone 5 81 - 6 - HG LEU 103 - HB3 LEU 27 lone 4 73 - 6 - Peak 1201 from cnoeabs.peaks (0.73, 1.34, 44.09 ppm; 3.51 A): 2 out of 9 assignments used, quality = 1.00: * QD2 LEU 27 + HB3 LEU 27 OK 100 100 - 100 - 3.1=100 QG1 VAL 5 + HB3 LEU 27 OK 57 100 - 57 - 2.1/8634=15, ~8633=10...(16) HG13 ILE 93 - HB3 LEU 27 OK 36 81 - 45 - 2.1/1202=7, 1193/1.8=4...(20) HG3 ARG 81 - HB3 LEU 27 OK 29 92 - 31 - 2.9/8634=9, 1193/1.8=3...(11) QG1 VAL 58 - HB3 LEU 27 OK 21 94 - 22 - 2.1/9378=3, 9383/1.8=3...(7) QD1 LEU 64 - HB3 LEU 27 OK 20 87 - 23 - 10254=3, 1193/1.8=2...(12) QG2 VAL 78 - HB3 LEU 27 OK 18 96 - 19 - 1185/3.0=2, 1193/1.8=2...(6) HG13 ILE 56 - HB3 LEU 27 OK 15 77 - 20 - ~9317=3, 1.8/10680=2...(9) QG1 VAL 78 - HB3 LEU 27 OK 12 73 - 17 - 1185/3.0=2, 1193/1.8=1...(6) Peak 1202 from cnoeabs.peaks (0.77, 1.34, 44.09 ppm; 3.46 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 27 + HB3 LEU 27 OK 100 100 - 100 - 3.1=100 QD1 ILE 93 + HB3 LEU 27 OK 52 100 - 52 - 10321=9, 1194/1.8=6...(20) QG2 ILE 93 - HB3 LEU 27 OK 27 65 - 42 - 3.1/10321=5, 1194/1.8=4...(20) QG2 ILE 52 - HB3 LEU 27 OK 17 92 - 18 - 1194/1.8=3, 1210/3.0=2...(5) QD1 ILE 15 - HB3 LEU 27 OK 16 94 - 17 - 8436/4.4=3, 1194/1.8=2...(6) QG1 VAL 54 - HB3 LEU 27 OK 13 97 - 13 - 1194/1.8=2, 6453/4.4=1...(5) QD2 LEU 42 - HB3 LEU 27 OK 12 100 - 12 - 1194/1.8=2, 1210/3.0=1...(4) HG13 ILE 15 - HB3 LEU 27 OK 12 81 - 15 - 1194/1.8=2, ~1194=1...(5) QD1 LEU 6 - HB3 LEU 27 lone 9 100 - 9 - 1194/1.8=1 QG2 ILE 8 - HB3 LEU 27 lone 6 65 - 9 - Peak 1203 from cnoeabs.peaks (7.80, 1.34, 44.09 ppm; 3.96 A): 2 out of 6 assignments used, quality = 0.95: * H GLU 28 + HB3 LEU 27 OK 92 100 - 92 - 4.4=74, 6448/3.0=33...(10) H LYS 66 + HB3 LEU 27 OK 35 99 - 35 - 9505=6, 1195/1.8=5...(10) H LYS 20 - HB3 LEU 27 OK 28 98 - 28 - 1195/1.8=6, 1187/3.0=4...(9) HE ARG 30 - HB3 LEU 27 OK 25 94 - 27 - 1195/1.8=4, 1219/3.1=4...(10) H GLU 99 - HB3 LEU 27 OK 22 99 - 22 - 4.6/11020=4, 1195/1.8=3...(8) H SER 9 - HB3 LEU 27 poor 10 84 - 11 - 1195/1.8=2, 1227/3.1=1...(4) Peak 1204 from cnoeabs.peaks (8.24, 1.60, 26.52 ppm; 3.99 A): 2 out of 3 assignments used, quality = 0.92: * H LEU 27 + HG LEU 27 OK 90 100 - 90 - 5.0=51, 1220/2.1=27...(14) H ALA 71 + HG LEU 27 OK 22 61 - 35 - 1220/2.1=7, 1212/2.1=6...(10) H PHE 45 - HG LEU 27 poor 9 61 - 14 - 1220/2.1=3, 1212/2.1=3...(6) Peak 1205 from cnoeabs.peaks (4.65, 1.60, 26.52 ppm; 4.95 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 27 + HG LEU 27 OK 100 100 - 100 - 4.3=100 HA LEU 55 - HG LEU 27 OK 25 65 - 38 - 1221/2.1=8, 1213/2.1=8...(9) Peak 1206 from cnoeabs.peaks (1.46, 1.60, 26.52 ppm; 3.33 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LEU 27 + HG LEU 27 OK 100 100 - 100 - 3.0=100 HD2 LYS 82 - HG LEU 27 OK 40 100 - 41 - ~10132=5, 1198/3.0=4...(19) HD2 LYS 40 - HG LEU 27 OK 29 97 - 30 - 1222/2.1=3, 1198/3.0=3...(11) HD3 LYS 40 - HG LEU 27 OK 28 96 - 30 - 1222/2.1=3, 1198/3.0=3...(11) HG2 LYS 12 - HG LEU 27 OK 22 87 - 26 - 1222/2.1=2, 420=2...(12) HG13 ILE 52 - HG LEU 27 OK 13 100 - 13 - 1222/2.1=2, 3.2/1210=1...(5) HD2 LYS 53 - HG LEU 27 OK 11 100 - 11 - ~10132=2, 1214/2.1=2, 1222/2.1=2 HG2 LYS 53 - HG LEU 27 OK 10 98 - 11 - 1214/2.1=2, 1222/2.1=2, ~10132=1 HG3 LYS 39 - HG LEU 27 OK 10 73 - 14 - 1.8/1207=2, 1198/3.0=1...(4) HG3 LYS 53 - HG LEU 27 lone 8 90 - 9 - ~10132=1, 1214/2.1=1, 1222/2.1=1 HB2 LEU 38 - HG LEU 27 lone 8 100 - 8 - ~8855=1 HG2 LYS 20 - HG LEU 27 lone 7 100 - 7 - 4.9/1211=1 HG LEU 38 - HG LEU 27 lone 5 100 - 5 - HG3 ARG 91 - HG LEU 27 lone 4 99 - 4 - Peak 1207 from cnoeabs.peaks (1.34, 1.60, 26.52 ppm; 3.71 A): 3 out of 12 assignments used, quality = 1.00: * HB3 LEU 27 + HG LEU 27 OK 100 100 - 100 - 3.0=100 QB ALA 25 + HG LEU 27 OK 53 99 - 54 - 10475/4.3=12...(13) HG2 LYS 94 + HG LEU 27 OK 51 99 - 52 - 4215=7, 1.8/4226=5...(25) HB2 LYS 82 - HG LEU 27 OK 41 100 - 42 - 1215/2.1=5, ~9762=5...(18) HG3 LYS 40 - HG LEU 27 OK 26 77 - 34 - ~10134=3, ~10133=3...(17) HG2 LYS 39 - HG LEU 27 OK 19 100 - 19 - 1223/2.1=2, 1215/2.1=2...(5) HB3 LEU 2 - HG LEU 27 OK 14 90 - 16 - ~12274=2, 1223/2.1=2...(8) QB ALA 67 - HG LEU 27 OK 14 97 - 14 - 1215/2.1=2, 1223/2.1=2...(5) HG3 LYS 68 - HG LEU 27 OK 14 99 - 14 - 1215/2.1=2, 1223/2.1=2...(4) QB ALA 89 - HG LEU 27 OK 13 99 - 13 - 9932/2.1=4, 1215/2.1=1 HG LEU 14 - HG LEU 27 lone 7 98 - 7 - HG12 ILE 8 - HG LEU 27 lone 4 61 - 7 - Peak 1208 from cnoeabs.peaks (1.60, 1.60, 26.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 27 + HG LEU 27 OK 100 100 - 100 Peak 1209 from cnoeabs.peaks (0.73, 1.60, 26.52 ppm; 3.50 A): 1 out of 9 assignments used, quality = 1.00: * QD2 LEU 27 + HG LEU 27 OK 100 100 - 100 - 2.1=100 QG1 VAL 5 - HG LEU 27 OK 43 100 - 43 - ~8634=7, ~8633=7...(13) HG13 ILE 93 - HG LEU 27 OK 35 81 - 43 - 2.1/1210=6, ~10485=4...(20) HG3 ARG 81 - HG LEU 27 OK 18 92 - 19 - ~8634=4, 1201/3.0=2...(8) QG2 VAL 78 - HG LEU 27 OK 16 96 - 16 - 1225/2.1=2, 4.3/7289=2...(6) QG1 VAL 58 - HG LEU 27 OK 14 94 - 15 - 9384/3.0=3, 9383/3.0=2...(6) QD1 LEU 64 - HG LEU 27 OK 12 87 - 14 - 1201/3.0=2, 1225/2.1=1...(5) QG1 VAL 78 - HG LEU 27 OK 11 73 - 15 - 4.3/7289=2, 1225/2.1=1...(7) HG13 ILE 56 - HG LEU 27 poor 9 77 - 11 - 1201/3.0=1, 1193/3.0=1...(4) Peak 1210 from cnoeabs.peaks (0.77, 1.60, 26.52 ppm; 2.97 A): 1 out of 10 assignments used, quality = 1.00: * QD1 LEU 27 + HG LEU 27 OK 100 100 - 100 - 2.1=100 QD1 ILE 93 - HG LEU 27 OK 34 100 - 34 - 1218/2.1=5, 10321/3.0=4...(14) QG2 ILE 93 - HG LEU 27 OK 19 65 - 29 - 3.2/1209=2, 1218/2.1=2...(13) QG2 ILE 52 - HG LEU 27 OK 11 92 - 11 - 1218/2.1=1, 1194/3.0=1 QD1 ILE 15 - HG LEU 27 lone 9 94 - 10 - 1218/2.1=1, 1194/3.0=1 QG1 VAL 54 - HG LEU 27 lone 8 97 - 8 - 1218/2.1=1 QD2 LEU 42 - HG LEU 27 lone 8 100 - 7 - 1218/2.1=1, 1194/3.0=1 HG13 ILE 15 - HG LEU 27 lone 7 81 - 8 - QD1 LEU 6 - HG LEU 27 lone 6 100 - 6 - QG2 ILE 8 - HG LEU 27 lone 3 65 - 5 - Peak 1211 from cnoeabs.peaks (7.80, 1.60, 26.52 ppm; 6.50 A): 4 out of 6 assignments used, quality = 0.99: * H GLU 28 + HG LEU 27 OK 90 100 - 90 - 6448/4.3=44, 4.6/1204=33...(9) H LYS 66 + HG LEU 27 OK 52 99 - 52 - 1219/2.1=8, 1203/3.0=8...(13) HE ARG 30 + HG LEU 27 OK 51 94 - 55 - ~10138=10, ~10139=9...(15) H LYS 20 + HG LEU 27 OK 47 98 - 48 - 8527/2.1=8, 1195/3.0=8...(14) H GLU 99 - HG LEU 27 OK 32 99 - 32 - 1227/2.1=6, 1219/2.1=5...(8) H SER 9 - HG LEU 27 OK 17 84 - 19 - 1227/2.1=3, 1219/2.1=2...(6) Peak 1212 from cnoeabs.peaks (8.24, 0.73, 25.25 ppm; 4.18 A): 1 out of 3 assignments used, quality = 0.96: * H LEU 27 + QD2 LEU 27 OK 96 100 - 96 - 4.7=72, 3.0/1213=32...(13) H ALA 71 - QD2 LEU 27 OK 25 61 - 41 - 1220/2.1=7, 1204/2.1=7...(13) H PHE 45 - QD2 LEU 27 OK 10 61 - 16 - 1220/2.1=3, 1204/2.1=3...(7) Peak 1213 from cnoeabs.peaks (4.65, 0.73, 25.25 ppm; 3.38 A): 2 out of 2 assignments used, quality = 0.89: * HA LEU 27 + QD2 LEU 27 OK 87 100 - 87 - 4.0=59, 3.0/1212=14...(15) HA LEU 55 + QD2 LEU 27 OK 16 65 - 25 - 1189/3.1=4, 1197/3.1=4...(9) Peak 1214 from cnoeabs.peaks (1.46, 0.73, 25.25 ppm; 3.71 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LEU 27 + QD2 LEU 27 OK 100 100 - 100 - 3.1=100 HD2 LYS 82 + QD2 LEU 27 OK 56 100 - 56 - 1.8/10132=11...(24) HD2 LYS 40 - QD2 LEU 27 OK 39 97 - 41 - 3.0/10133=4, 1206/2.1=4...(14) HD3 LYS 40 - QD2 LEU 27 OK 39 96 - 40 - 3.0/10133=4, 1206/2.1=4...(14) HD2 LYS 53 - QD2 LEU 27 OK 30 100 - 30 - 9192/10136=8...(11) HG2 LYS 12 - QD2 LEU 27 OK 24 87 - 28 - 1.8/1216=3, 1222/2.1=3...(9) HG2 LYS 53 - QD2 LEU 27 OK 22 98 - 22 - 9191/10136=5...(8) HG3 LYS 53 - QD2 LEU 27 OK 19 90 - 21 - 9191/10136=4...(6) HG13 ILE 52 - QD2 LEU 27 OK 19 100 - 18 - 1222/2.1=2, 1206/2.1=2...(7) HG3 LYS 39 - QD2 LEU 27 OK 13 73 - 17 - 1.8/1215=2, 1206/2.1=1...(7) HB2 LEU 38 - QD2 LEU 27 OK 13 100 - 12 - 3.0/8855=3, 1222/2.1=1 HG2 LYS 20 - QD2 LEU 27 OK 12 100 - 12 - 882/4.7=2, 4.9/1219=2 HG LEU 38 - QD2 LEU 27 OK 11 100 - 10 - 3.7/8855=3 HG3 ARG 91 - QD2 LEU 27 lone 5 99 - 5 - Peak 1215 from cnoeabs.peaks (1.34, 0.73, 25.25 ppm; 3.29 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LEU 27 + QD2 LEU 27 OK 100 100 - 100 - 3.1=100 QB ALA 25 - QD2 LEU 27 OK 43 99 - 44 - 10475/4.0=9, 8621/2.1=9...(12) HB2 LYS 82 - QD2 LEU 27 OK 42 100 - 42 - 2.9/10133=6, 3.5/10132=6...(20) HG2 LYS 94 - QD2 LEU 27 OK 34 99 - 35 - 4215/2.1=5, 1223/2.1=4...(16) HG3 LYS 40 - QD2 LEU 27 OK 22 77 - 29 - 1.8/10133=5, ~10134=3...(12) QB ALA 67 - QD2 LEU 27 OK 16 97 - 16 - 3.6/9531=2, 4.9/8640=1...(5) HG2 LYS 39 - QD2 LEU 27 OK 16 100 - 16 - 1223/2.1=2, 1207/2.1=1 HG3 LYS 68 - QD2 LEU 27 OK 14 99 - 14 - 4.0/8640=2, 4.6/9531=1...(4) HB3 LEU 2 - QD2 LEU 27 OK 11 90 - 13 - ~12274=2, 1223/2.1=1...(4) QB ALA 89 - QD2 LEU 27 OK 10 99 - 10 - 9932/2.1=4, 1207/2.1=1 HG LEU 14 - QD2 LEU 27 lone 7 98 - 7 - HG12 ILE 8 - QD2 LEU 27 lone 4 61 - 6 - Peak 1216 from cnoeabs.peaks (1.60, 0.73, 25.25 ppm; 3.32 A): 1 out of 13 assignments used, quality = 1.00: * HG LEU 27 + QD2 LEU 27 OK 100 100 - 100 - 2.1=100 HD3 LYS 94 - QD2 LEU 27 OK 36 100 - 36 - 1224/2.1=4, ~10485=3...(15) HB2 ARG 79 - QD2 LEU 27 OK 33 100 - 33 - 12329/4.0=8, 3.8/10139=3...(12) HB3 LEU 29 - QD2 LEU 27 OK 27 100 - 27 - 1.8/10133=4, 1224/2.1=3...(12) HG3 LYS 12 - QD2 LEU 27 OK 22 99 - 23 - 1224/2.1=4, 1192/3.1=2...(9) HB2 ARG 30 - QD2 LEU 27 OK 17 99 - 17 - 3.6/10139=3, 1224/2.1=2...(7) HD2 LYS 66 - QD2 LEU 27 lone 10 100 - 10 - 2930/4.7=2, 1224/2.1=1 HG2 ARG 19 - QD2 LEU 27 poor 10 84 - 12 - 4.0/8640=2, 4.9/1219=1...(4) HG3 LYS 73 - QD2 LEU 27 lone 9 100 - 9 - 4.1/10850=2, 1224/2.1=1 HB2 LEU 103 - QD2 LEU 27 lone 5 84 - 6 - HG2 LYS 24 - QD2 LEU 27 lone 4 87 - 4 - HG3 LYS 90 - QD2 LEU 27 lone 4 81 - 4 - HG LEU 103 - QD2 LEU 27 lone 3 73 - 4 - Peak 1217 from cnoeabs.peaks (0.73, 0.73, 25.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 27 + QD2 LEU 27 OK 100 100 - 100 Peak 1218 from cnoeabs.peaks (0.77, 0.73, 25.25 ppm; 2.40 A): 1 out of 10 assignments used, quality = 1.00: * QD1 LEU 27 + QD2 LEU 27 OK 100 100 - 100 - 2.1=100 QD1 ILE 93 - QD2 LEU 27 OK 22 100 - 23 - 1210/2.1=3, 4167=3...(9) QG2 ILE 93 - QD2 LEU 27 OK 11 65 - 17 - 1210/2.1=2, ~10485=1...(4) QD1 ILE 15 - QD2 LEU 27 lone 7 94 - 7 - 8436/4.7=1 QG2 ILE 52 - QD2 LEU 27 lone 7 92 - 7 - 1210/2.1=1 QG1 VAL 54 - QD2 LEU 27 lone 6 97 - 6 - QD2 LEU 42 - QD2 LEU 27 lone 5 100 - 5 - QD1 LEU 6 - QD2 LEU 27 lone 4 100 - 4 - HG13 ILE 15 - QD2 LEU 27 lone 4 81 - 5 - QG2 ILE 8 - QD2 LEU 27 lone 2 65 - 3 - Peak 1219 from cnoeabs.peaks (7.80, 0.73, 25.25 ppm; 4.09 A): 2 out of 6 assignments used, quality = 0.93: * H GLU 28 + QD2 LEU 27 OK 90 100 - 90 - 4.7=68, 6448/4.0=27...(10) H LYS 66 + QD2 LEU 27 OK 35 99 - 35 - 1203/3.1=5, 9507=5...(13) HE ARG 30 - QD2 LEU 27 OK 28 94 - 30 - 2.9/10139=5, 1227/2.1=4...(11) H LYS 20 - QD2 LEU 27 OK 27 98 - 28 - 1227/2.1=5, 1195/3.1=5...(7) H GLU 99 - QD2 LEU 27 OK 23 99 - 23 - 1227/2.1=4, 10084/8111=3...(9) H SER 9 - QD2 LEU 27 OK 10 84 - 12 - 1227/2.1=2, 1203/3.1=1...(4) Peak 1220 from cnoeabs.peaks (8.24, 0.77, 26.59 ppm; 3.82 A): 3 out of 3 assignments used, quality = 0.94: * H LEU 27 + QD1 LEU 27 OK 91 100 - 91 - 4.7=55, 1204/2.1=24...(17) H ALA 71 + QD1 LEU 27 OK 22 61 - 35 - 1204/2.1=6, 1212/2.1=6...(12) H PHE 45 + QD1 LEU 27 OK 10 61 - 16 - 1212/2.1=3, 1204/2.1=2...(8) Peak 1221 from cnoeabs.peaks (4.65, 0.77, 26.59 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 27 + QD1 LEU 27 OK 100 100 - 100 - 4.0=100 HA LEU 55 - QD1 LEU 27 OK 23 65 - 35 - 1213/2.1=8, 1189/3.1=7...(9) Peak 1222 from cnoeabs.peaks (1.46, 0.77, 26.59 ppm; 3.38 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LEU 27 + QD1 LEU 27 OK 100 100 - 100 - 3.1=100 HD2 LYS 82 - QD1 LEU 27 OK 43 100 - 43 - 2.9/9762=6, ~10132=5...(19) HD2 LYS 40 - QD1 LEU 27 OK 32 97 - 33 - 3.0/10134=3, 1206/2.1=3...(12) HD3 LYS 40 - QD1 LEU 27 OK 32 96 - 33 - 3.0/10134=3, 1206/2.1=3...(12) HG2 LYS 12 - QD1 LEU 27 OK 26 87 - 31 - 1.8/1224=4, 3.0/10484=3...(13) HD2 LYS 53 - QD1 LEU 27 OK 21 100 - 21 - 9192/10135=5, ~10132=2...(6) HG13 ILE 52 - QD1 LEU 27 OK 19 100 - 19 - 2369=2, 1.8/2361=2...(7) HG2 LYS 53 - QD1 LEU 27 OK 16 98 - 17 - 9191/10135=3, 1214/2.1=2...(4) HG3 LYS 53 - QD1 LEU 27 OK 14 90 - 15 - 9191/10135=2, ~10132=2...(4) HG3 LYS 39 - QD1 LEU 27 OK 11 73 - 15 - 1.8/1223=2, 3.0/10484=2...(5) HG2 LYS 20 - QD1 LEU 27 lone 10 100 - 10 - 882/4.7=2, 4.9/1227=2 HB2 LEU 38 - QD1 LEU 27 lone 9 100 - 9 - ~8855=1 HG LEU 38 - QD1 LEU 27 lone 7 100 - 7 - HG3 ARG 91 - QD1 LEU 27 lone 5 99 - 5 - Peak 1223 from cnoeabs.peaks (1.34, 0.77, 26.59 ppm; 3.09 A): 1 out of 12 assignments used, quality = 0.97: * HB3 LEU 27 + QD1 LEU 27 OK 97 100 - 97 - 3.1=96, 4.0/1220=10...(9) QB ALA 25 - QD1 LEU 27 OK 45 99 - 46 - 8621=8, 10475/4.0=8...(15) HG2 LYS 94 - QD1 LEU 27 OK 32 99 - 33 - 2.9/10485=4, 4215/2.1=4...(13) HB2 LYS 82 - QD1 LEU 27 OK 31 100 - 31 - 2.9/9762=5, 1215/2.1=4...(15) HG3 LYS 40 - QD1 LEU 27 OK 19 77 - 25 - 1.8/10134=3, ~10133=2...(9) HG2 LYS 39 - QD1 LEU 27 OK 14 100 - 14 - 1215/2.1=1, 3.0/10484=1...(5) QB ALA 89 - QD1 LEU 27 OK 13 99 - 13 - 9932=5 HB3 LEU 2 - QD1 LEU 27 OK 12 90 - 13 - 1.8/12274=2, 1191/3.1=1 HG3 LYS 68 - QD1 LEU 27 OK 11 99 - 11 - 1215/2.1=1, 2.9/10484=1 QB ALA 67 - QD1 LEU 27 OK 11 97 - 11 - 1215/2.1=1 HG LEU 14 - QD1 LEU 27 lone 6 98 - 6 - HG12 ILE 8 - QD1 LEU 27 lone 3 61 - 5 - Peak 1224 from cnoeabs.peaks (1.60, 0.77, 26.59 ppm; 3.04 A): 1 out of 13 assignments used, quality = 1.00: * HG LEU 27 + QD1 LEU 27 OK 100 100 - 100 - 2.1=100 HD3 LYS 94 - QD1 LEU 27 OK 32 100 - 32 - 3.5/10485=4, 1216/2.1=3...(14) HG3 LYS 12 - QD1 LEU 27 OK 26 99 - 27 - 3.0/10484=3, 3.0/10484=3...(11) HB3 LEU 29 - QD1 LEU 27 OK 25 100 - 25 - 1.8/10134=3, 1216/2.1=3...(12) HB2 ARG 79 - QD1 LEU 27 OK 22 100 - 22 - 12329/4.0=7, 1216/2.1=3...(7) HB2 ARG 30 - QD1 LEU 27 OK 15 99 - 16 - 3.6/10138=2, 1216/2.1=2...(5) HD2 LYS 66 - QD1 LEU 27 OK 10 100 - 10 - 2930/4.7=1, 3.6/10484=1 HG3 LYS 73 - QD1 LEU 27 lone 9 100 - 9 - HG2 ARG 19 - QD1 LEU 27 lone 8 84 - 10 - 4.9/1227=1, 4.0/8641=1 HG2 LYS 24 - QD1 LEU 27 lone 5 87 - 6 - HB2 LEU 103 - QD1 LEU 27 lone 4 84 - 5 - HG3 LYS 90 - QD1 LEU 27 lone 4 81 - 5 - HG LEU 103 - QD1 LEU 27 lone 3 73 - 4 - Peak 1225 from cnoeabs.peaks (0.73, 0.77, 26.59 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * QD2 LEU 27 + QD1 LEU 27 OK 100 100 - 100 - 2.1=100 QG1 VAL 5 - QD1 LEU 27 OK 22 100 - 22 - ~8634=3, ~8633=3...(10) HG13 ILE 93 - QD1 LEU 27 OK 17 81 - 21 - 1.8/4152=2, 1209/2.1=2...(9) HG3 ARG 81 - QD1 LEU 27 lone 8 92 - 8 - ~8634=1, 1201/3.1=1, 1209/2.1=1 QG2 VAL 78 - QD1 LEU 27 lone 7 96 - 8 - QG1 VAL 58 - QD1 LEU 27 lone 6 94 - 7 - 9384/3.1=1 QD1 LEU 64 - QD1 LEU 27 lone 6 87 - 6 - QG1 VAL 78 - QD1 LEU 27 lone 5 73 - 6 - HG13 ILE 56 - QD1 LEU 27 lone 4 77 - 5 - Peak 1226 from cnoeabs.peaks (0.77, 0.77, 26.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 27 + QD1 LEU 27 OK 100 100 - 100 Peak 1227 from cnoeabs.peaks (7.80, 0.77, 26.59 ppm; 4.48 A): 1 out of 6 assignments used, quality = 0.97: * H GLU 28 + QD1 LEU 27 OK 97 100 - 97 - 4.7=89, 6448/4.0=31...(9) H LYS 20 - QD1 LEU 27 OK 37 98 - 37 - 1195/3.1=5, 1219/2.1=5...(11) HE ARG 30 - QD1 LEU 27 OK 36 94 - 38 - 2.9/10138=7, 1219/2.1=5...(13) H LYS 66 - QD1 LEU 27 OK 35 99 - 35 - 1219/2.1=7, 1203/3.1=6...(9) H GLU 99 - QD1 LEU 27 OK 32 99 - 32 - 10084/10137=10...(9) H SER 9 - QD1 LEU 27 OK 13 84 - 16 - 1219/2.1=2, 1203/3.1=2...(6) Peak 1228 from cnoeabs.peaks (7.80, 4.31, 55.46 ppm; 3.80 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 28 + HA GLU 28 OK 100 100 - 100 - 3.0=100 H LYS 66 - HA GLU 28 OK 35 99 - 35 - 7065=11, 1242/3.0=4...(12) H LYS 20 - HA GLU 28 OK 16 98 - 16 - 6461/3.6=3, 1242/3.0=3...(7) HE ARG 30 - HA GLU 28 lone 9 94 - 9 - 6461/3.6=2, 1242/3.0=1...(4) H GLU 99 - HA GLU 28 lone 8 99 - 7 - 1242/3.0=2, 1235/3.0=1 H SER 9 - HA GLU 28 lone 6 84 - 8 - 8316/3.0=2, 6461/3.6=1 Peak 1229 from cnoeabs.peaks (4.31, 4.31, 55.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 28 + HA GLU 28 OK 100 100 - 100 Peak 1230 from cnoeabs.peaks (1.74, 4.31, 55.46 ppm; 3.63 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLU 28 + HA GLU 28 OK 100 100 - 100 - 3.0=100 HD2 LYS 90 - HA GLU 28 OK 16 100 - 16 - 1244/3.0=3, 6463/3.6=2...(7) HG3 ARG 19 - HA GLU 28 OK 12 65 - 18 - 6463/3.6=3, 6455/3.0=3...(8) HB ILE 15 - HA GLU 28 lone 8 84 - 10 - ~8436=2, 6455/3.0=2...(4) HD3 LYS 33 - HA GLU 28 poor 7 65 - 10 - 3.0/1231=1, 1244/3.0=1 HD2 LYS 33 - HA GLU 28 poor 7 65 - 10 - 3.0/1231=1, 1244/3.0=1 HD2 ARG 81 - HA GLU 28 lone 3 70 - 4 - Peak 1231 from cnoeabs.peaks (1.56, 4.31, 55.46 ppm; 3.24 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 28 + HA GLU 28 OK 100 100 - 100 - 3.0=100 HB2 LEU 3 - HA GLU 28 OK 17 92 - 18 - 6456/3.0=5, 6464/3.6=4...(5) HD3 LYS 82 - HA GLU 28 OK 12 100 - 12 - 6456/3.0=3, 1238/3.0=2...(4) HG LEU 103 - HA GLU 28 OK 10 61 - 16 - 2.1/4499=3, 3.0/4475=3...(7) HD3 LYS 53 - HA GLU 28 poor 9 90 - 10 - 6456/3.0=2, 6464/3.6=1 HG2 LYS 33 - HA GLU 28 lone 7 77 - 9 - 1238/3.0=1, 3.0/1230=1 Peak 1232 from cnoeabs.peaks (2.06, 4.31, 55.46 ppm; 3.70 A): 2 out of 11 assignments used, quality = 1.00: * HG2 GLU 28 + HA GLU 28 OK 99 100 - 99 - 3.7=99, 5.0/1234=14...(11) HG3 GLU 28 + HA GLU 28 OK 99 100 - 99 - 3.7=99, 5.0/1234=14...(11) HB3 LEU 38 - HA GLU 28 lone 6 94 - 6 - HB2 GLU 98 - HA GLU 28 lone 4 61 - 7 - HB2 MET 21 - HA GLU 28 lone 3 84 - 4 - 6457/3.0=1 HB2 MET 74 - HA GLU 28 lone 2 100 - 2 - HB3 GLU 43 - HA GLU 28 lone 2 100 - 2 - HB2 GLU 16 - HA GLU 28 lone 2 87 - 2 - HB3 GLU 88 - HA GLU 28 lone 1 81 - 2 - HB3 GLU 48 - HA GLU 28 lone 1 73 - 1 - HB3 GLU 35 - HA GLU 28 lone 1 70 - 1 - Peak 1233 from cnoeabs.peaks (2.06, 4.31, 55.46 ppm; 3.70 A): 2 out of 11 assignments used, quality = 1.00: HG2 GLU 28 + HA GLU 28 OK 99 100 - 99 - 3.7=99, 5.0/1234=14...(11) * HG3 GLU 28 + HA GLU 28 OK 99 100 - 99 - 3.7=99, 5.0/1234=14...(11) HB3 LEU 38 - HA GLU 28 lone 6 94 - 6 - HB2 GLU 98 - HA GLU 28 lone 4 61 - 7 - HB2 MET 21 - HA GLU 28 lone 3 84 - 4 - 6457/3.0=1 HB2 MET 74 - HA GLU 28 lone 2 100 - 2 - HB3 GLU 43 - HA GLU 28 lone 2 100 - 2 - HB2 GLU 16 - HA GLU 28 lone 2 87 - 2 - HB3 GLU 88 - HA GLU 28 lone 1 81 - 2 - HB3 GLU 48 - HA GLU 28 lone 1 73 - 1 - HB3 GLU 35 - HA GLU 28 lone 1 70 - 1 - Peak 1234 from cnoeabs.peaks (8.45, 4.31, 55.46 ppm; 2.94 A): 2 out of 3 assignments used, quality = 0.79: * H LEU 29 + HA GLU 28 OK 75 100 - 75 - 3.6=56, 6464/3.0=11...(10) H ILE 7 + HA GLU 28 OK 15 97 - 15 - 1241/3.0=3, 1248/3.0=3...(5) H LYS 53 - HA GLU 28 lone 5 73 - 7 - 1248/3.0=1, 6459/3.0=1 Peak 1235 from cnoeabs.peaks (7.80, 1.74, 30.51 ppm; 3.73 A): 3 out of 6 assignments used, quality = 0.94: * H GLU 28 + HB2 GLU 28 OK 91 100 - 91 - 4.0=79, 1242/1.8=23...(9) H LYS 66 + HB2 GLU 28 OK 21 99 - 21 - 7065/3.0=6, 1242/1.8=5...(6) H LYS 20 + HB2 GLU 28 OK 15 98 - 15 - 1242/1.8=4, 6461/4.6=3...(6) HE ARG 30 - HB2 GLU 28 lone 7 94 - 7 - 1242/1.8=2, 6461/4.6=1 H SER 9 - HB2 GLU 28 lone 7 84 - 8 - 1242/1.8=2, 6461/4.6=1 H GLU 99 - HB2 GLU 28 lone 7 99 - 6 - 1242/1.8=2, 1228/3.0=1 Peak 1236 from cnoeabs.peaks (4.31, 1.74, 30.51 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 28 + HB2 GLU 28 OK 100 100 - 100 - 3.0=100 HA ASP 65 - HB2 GLU 28 OK 25 100 - 25 - 1243/1.8=6, 6454/4.0=5...(9) HA LEU 103 - HB2 GLU 28 OK 17 94 - 18 - 1243/1.8=4, 6462/4.6=2...(9) Peak 1237 from cnoeabs.peaks (1.74, 1.74, 30.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 28 + HB2 GLU 28 OK 100 100 - 100 Peak 1238 from cnoeabs.peaks (1.56, 1.74, 30.51 ppm; 2.94 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 28 + HB2 GLU 28 OK 100 100 - 100 - 1.8=100 HB2 LEU 3 - HB2 GLU 28 OK 14 92 - 15 - 6456/4.0=3, 1231/3.0=2...(5) HD3 LYS 82 - HB2 GLU 28 lone 9 100 - 9 - 6456/4.0=2, 1231/3.0=2 HD3 LYS 53 - HB2 GLU 28 lone 6 90 - 7 - 1231/3.0=1, 6456/4.0=1 HG LEU 103 - HB2 GLU 28 lone 6 61 - 9 - 3.7/1236=2, 1231/3.0=1 HG2 LYS 33 - HB2 GLU 28 lone 5 77 - 7 - Peak 1239 from cnoeabs.peaks (2.06, 1.74, 30.51 ppm; 3.36 A): 2 out of 11 assignments used, quality = 1.00: * HG2 GLU 28 + HB2 GLU 28 OK 100 100 - 100 - 3.0=100 HG3 GLU 28 + HB2 GLU 28 OK 100 100 - 100 - 3.0=100 HB3 LEU 38 - HB2 GLU 28 lone 4 94 - 4 - HB2 MET 74 - HB2 GLU 28 lone 3 100 - 3 - HB2 MET 21 - HB2 GLU 28 lone 3 84 - 3 - HB3 GLU 43 - HB2 GLU 28 lone 2 100 - 2 - HB2 GLU 98 - HB2 GLU 28 lone 2 61 - 3 - HB3 GLU 88 - HB2 GLU 28 lone 1 81 - 2 - HB2 GLU 16 - HB2 GLU 28 lone 1 87 - 1 - HB3 GLU 48 - HB2 GLU 28 lone 1 73 - 1 - HB3 GLU 35 - HB2 GLU 28 lone 1 70 - 1 - Peak 1240 from cnoeabs.peaks (2.06, 1.74, 30.51 ppm; 3.36 A): 2 out of 11 assignments used, quality = 1.00: HG2 GLU 28 + HB2 GLU 28 OK 100 100 - 100 - 3.0=100 * HG3 GLU 28 + HB2 GLU 28 OK 100 100 - 100 - 3.0=100 HB3 LEU 38 - HB2 GLU 28 lone 4 94 - 4 - HB2 MET 74 - HB2 GLU 28 lone 3 100 - 3 - HB2 MET 21 - HB2 GLU 28 lone 3 84 - 3 - HB3 GLU 43 - HB2 GLU 28 lone 2 100 - 2 - HB2 GLU 98 - HB2 GLU 28 lone 2 61 - 3 - HB3 GLU 88 - HB2 GLU 28 lone 1 81 - 2 - HB2 GLU 16 - HB2 GLU 28 lone 1 87 - 1 - HB3 GLU 48 - HB2 GLU 28 lone 1 73 - 1 - HB3 GLU 35 - HB2 GLU 28 lone 1 70 - 1 - Peak 1241 from cnoeabs.peaks (8.45, 1.74, 30.51 ppm; 4.75 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 29 + HB2 GLU 28 OK 100 100 - 100 - 4.6=100 H ILE 7 - HB2 GLU 28 OK 38 97 - 39 - 1248/1.8=10, 1234/3.0=7...(9) H LYS 53 - HB2 GLU 28 OK 14 73 - 19 - 1248/1.8=5, 6459/4.0=3...(7) Peak 1242 from cnoeabs.peaks (7.80, 1.56, 30.51 ppm; 3.70 A): 3 out of 6 assignments used, quality = 0.94: * H GLU 28 + HB3 GLU 28 OK 92 100 - 92 - 4.0=77, 6455/1.8=23...(11) H LYS 66 + HB3 GLU 28 OK 22 99 - 22 - 7065/3.0=6, 1235/1.8=5...(6) H LYS 20 + HB3 GLU 28 OK 15 98 - 15 - 1235/1.8=4, 6461/4.6=3...(6) H GLU 99 - HB3 GLU 28 lone 8 99 - 8 - 1235/1.8=2, 1228/3.0=1 HE ARG 30 - HB3 GLU 28 lone 8 94 - 8 - 1235/1.8=2, 6461/4.6=1 H SER 9 - HB3 GLU 28 lone 7 84 - 8 - 8316/1.8=2, 6461/4.6=1 Peak 1243 from cnoeabs.peaks (4.31, 1.56, 30.51 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 3.0=100 HA ASP 65 - HB3 GLU 28 OK 27 100 - 27 - 1236/1.8=7, 6454/4.0=6...(9) HA LEU 103 - HB3 GLU 28 OK 18 94 - 19 - 1236/1.8=5, 6462/4.6=3...(8) Peak 1244 from cnoeabs.peaks (1.74, 1.56, 30.51 ppm; 2.91 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 1.8=100 HD2 LYS 90 - HB3 GLU 28 OK 11 100 - 11 - 1230/3.0=2, ~3952=1, 6463/4.6=1 HD3 LYS 33 - HB3 GLU 28 lone 5 65 - 8 - HD2 LYS 33 - HB3 GLU 28 lone 5 65 - 8 - HG3 ARG 19 - HB3 GLU 28 lone 5 65 - 8 - 6463/4.6=1, 1230/3.0=1 HB ILE 15 - HB3 GLU 28 lone 4 84 - 5 - HD2 ARG 81 - HB3 GLU 28 lone 2 70 - 3 - Peak 1245 from cnoeabs.peaks (1.56, 1.56, 30.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 28 + HB3 GLU 28 OK 100 100 - 100 Peak 1246 from cnoeabs.peaks (2.06, 1.56, 30.51 ppm; 3.45 A): 2 out of 11 assignments used, quality = 1.00: * HG2 GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 3.0=100 HG3 GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 3.0=100 HB3 LEU 38 - HB3 GLU 28 lone 4 94 - 4 - HB2 MET 21 - HB3 GLU 28 lone 4 84 - 4 - 4.0/10441=1 HB2 MET 74 - HB3 GLU 28 lone 3 100 - 3 - HB3 GLU 43 - HB3 GLU 28 lone 2 100 - 2 - HB2 GLU 98 - HB3 GLU 28 lone 2 61 - 3 - HB2 GLU 16 - HB3 GLU 28 lone 1 87 - 1 - HB3 GLU 88 - HB3 GLU 28 lone 1 81 - 1 - HB3 GLU 48 - HB3 GLU 28 lone 1 73 - 1 - HB3 GLU 35 - HB3 GLU 28 lone 1 70 - 1 - Peak 1247 from cnoeabs.peaks (2.06, 1.56, 30.51 ppm; 3.45 A): 2 out of 11 assignments used, quality = 1.00: HG2 GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 3.0=100 * HG3 GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 3.0=100 HB3 LEU 38 - HB3 GLU 28 lone 4 94 - 4 - HB2 MET 21 - HB3 GLU 28 lone 4 84 - 4 - 4.0/10441=1 HB2 MET 74 - HB3 GLU 28 lone 3 100 - 3 - HB3 GLU 43 - HB3 GLU 28 lone 2 100 - 2 - HB2 GLU 98 - HB3 GLU 28 lone 2 61 - 3 - HB2 GLU 16 - HB3 GLU 28 lone 1 87 - 1 - HB3 GLU 88 - HB3 GLU 28 lone 1 81 - 1 - HB3 GLU 48 - HB3 GLU 28 lone 1 73 - 1 - HB3 GLU 35 - HB3 GLU 28 lone 1 70 - 1 - Peak 1248 from cnoeabs.peaks (8.45, 1.56, 30.51 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 29 + HB3 GLU 28 OK 100 100 - 100 - 4.6=100 H ILE 7 - HB3 GLU 28 OK 39 97 - 40 - 1241/1.8=10, 1234/3.0=7...(10) H LYS 53 - HB3 GLU 28 OK 19 73 - 26 - 1241/1.8=4, 6459/4.0=3...(11) Peak 1249 from cnoeabs.peaks (7.80, 2.06, 35.83 ppm; 4.18 A): 2 out of 12 assignments used, quality = 0.98: * H GLU 28 + HG2 GLU 28 OK 87 100 - 87 - 5.0=57, 6455/3.0=22...(9) H GLU 28 + HG3 GLU 28 OK 87 100 - 87 - 5.0=57, 6455/3.0=22...(9) H LYS 66 - HG3 GLU 28 OK 20 99 - 21 - 7065/3.7=7, 1242/3.0=5...(5) H LYS 66 - HG2 GLU 28 OK 20 99 - 21 - 7065/3.7=7, 1242/3.0=5...(5) H LYS 20 - HG2 GLU 28 OK 14 98 - 15 - 1235/3.0=3, 1242/3.0=3...(4) H LYS 20 - HG3 GLU 28 OK 14 98 - 15 - 1235/3.0=3, 1242/3.0=3...(4) HE ARG 30 - HG3 GLU 28 OK 11 94 - 11 - 4.0/10511=4, 6461/5.0=2...(5) HE ARG 30 - HG2 GLU 28 OK 11 94 - 11 - 4.0/10511=4, 6461/5.0=2...(5) H GLU 99 - HG2 GLU 28 lone 8 99 - 8 - 1242/3.0=2, 1235/3.0=2 H GLU 99 - HG3 GLU 28 lone 8 99 - 8 - 1242/3.0=2, 1235/3.0=2 H SER 9 - HG2 GLU 28 lone 7 84 - 8 - 8316/3.0=2, 1242/3.0=2...(4) H SER 9 - HG3 GLU 28 lone 7 84 - 8 - 8316/3.0=2, 1242/3.0=2...(4) Peak 1250 from cnoeabs.peaks (4.31, 2.06, 35.83 ppm; 4.16 A): 2 out of 6 assignments used, quality = 1.00: HA GLU 28 + HG3 GLU 28 OK 100 100 - 100 - 3.7=100 * HA GLU 28 + HG2 GLU 28 OK 100 100 - 100 - 3.7=100 HA ASP 65 - HG3 GLU 28 OK 21 100 - 21 - 1243/3.0=6, 1236/3.0=6...(5) HA ASP 65 - HG2 GLU 28 OK 21 100 - 21 - 1243/3.0=6, 1236/3.0=6...(5) HA LEU 103 - HG3 GLU 28 OK 14 94 - 15 - 1236/3.0=4, 1243/3.0=4...(4) HA LEU 103 - HG2 GLU 28 OK 14 94 - 15 - 1236/3.0=4, 1243/3.0=4...(4) Peak 1251 from cnoeabs.peaks (1.74, 2.06, 35.83 ppm; 3.66 A): 2 out of 14 assignments used, quality = 1.00: * HB2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 - 3.0=100 HB2 GLU 28 + HG3 GLU 28 OK 100 100 - 100 - 3.0=100 HD2 LYS 90 - HG3 GLU 28 OK 14 100 - 14 - 1244/3.0=3, 1230/3.7=2...(5) HD2 LYS 90 - HG2 GLU 28 OK 14 100 - 14 - 1244/3.0=3, 1230/3.7=2...(5) HD2 LYS 33 - HG3 GLU 28 lone 6 65 - 9 - 1244/3.0=1, 1230/3.7=1 HD3 LYS 33 - HG3 GLU 28 lone 6 65 - 9 - 1244/3.0=1, 1230/3.7=1 HD3 LYS 33 - HG2 GLU 28 lone 6 65 - 9 - 1244/3.0=1, 1230/3.7=1 HD2 LYS 33 - HG2 GLU 28 lone 6 65 - 9 - 1244/3.0=1, 1230/3.7=1 HG3 ARG 19 - HG2 GLU 28 lone 6 65 - 9 - 6463/5.0=2, 1230/3.7=2...(4) HG3 ARG 19 - HG3 GLU 28 lone 6 65 - 9 - 6463/5.0=2, 1230/3.7=2...(4) HB ILE 15 - HG3 GLU 28 lone 5 84 - 6 - 1230/3.7=1, 6455/5.0=1...(4) HB ILE 15 - HG2 GLU 28 lone 5 84 - 6 - 1230/3.7=1, 6455/5.0=1...(4) HD2 ARG 81 - HG2 GLU 28 lone 2 70 - 3 - HD2 ARG 81 - HG3 GLU 28 lone 2 70 - 3 - Peak 1252 from cnoeabs.peaks (1.56, 2.06, 35.83 ppm; 3.68 A): 2 out of 12 assignments used, quality = 1.00: * HB3 GLU 28 + HG2 GLU 28 OK 100 100 - 100 - 3.0=100 HB3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 - 3.0=100 HB2 LEU 3 - HG2 GLU 28 OK 15 92 - 17 - 1238/3.0=3, 6456/5.0=3...(6) HB2 LEU 3 - HG3 GLU 28 OK 15 92 - 17 - 1238/3.0=3, 6456/5.0=3...(6) HD3 LYS 82 - HG2 GLU 28 OK 11 100 - 11 - 1238/3.0=2, 1231/3.7=2...(4) HD3 LYS 82 - HG3 GLU 28 OK 11 100 - 11 - 1238/3.0=2, 1231/3.7=2...(4) HG2 LYS 33 - HG3 GLU 28 lone 7 77 - 9 - 1238/3.0=1, 1231/3.7=1 HG2 LYS 33 - HG2 GLU 28 lone 7 77 - 9 - 1238/3.0=1, 1231/3.7=1 HD3 LYS 53 - HG2 GLU 28 lone 7 90 - 8 - 1238/3.0=2, 1231/3.7=2...(4) HD3 LYS 53 - HG3 GLU 28 lone 7 90 - 8 - 1238/3.0=2, 1231/3.7=2...(4) HG LEU 103 - HG3 GLU 28 lone 4 61 - 7 - 1231/3.7=2, 1238/3.0=1 HG LEU 103 - HG2 GLU 28 lone 4 61 - 7 - 1231/3.7=2, 1238/3.0=1 Peak 1253 from cnoeabs.peaks (2.06, 2.06, 35.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 * HG2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 Peak 1254 from cnoeabs.peaks (2.06, 2.06, 35.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 HG2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 Reference assignment not found: HG3 GLU 28 - HG2 GLU 28 Peak 1255 from cnoeabs.peaks (8.45, 2.06, 35.83 ppm; 4.80 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 29 + HG2 GLU 28 OK 97 100 - 97 - 5.0=89, 1234/3.7=33...(6) H LEU 29 + HG3 GLU 28 OK 97 100 - 97 - 5.0=89, 1234/3.7=33...(6) H ILE 7 - HG2 GLU 28 OK 33 97 - 34 - 1241/3.0=8, 1248/3.0=8...(8) H ILE 7 - HG3 GLU 28 OK 33 97 - 34 - 1241/3.0=8, 1248/3.0=8...(8) H LYS 53 - HG3 GLU 28 OK 12 73 - 16 - 1248/3.0=4, 1241/3.0=3...(5) H LYS 53 - HG2 GLU 28 OK 12 73 - 16 - 1248/3.0=4, 1241/3.0=3...(5) Peak 1256 from cnoeabs.peaks (7.80, 2.06, 35.83 ppm; 4.18 A): 2 out of 12 assignments used, quality = 0.98: H GLU 28 + HG2 GLU 28 OK 87 100 - 87 - 5.0=57, 6455/3.0=22...(9) * H GLU 28 + HG3 GLU 28 OK 87 100 - 87 - 5.0=57, 6455/3.0=22...(9) H LYS 66 - HG3 GLU 28 OK 20 99 - 21 - 7065/3.7=7, 1242/3.0=5...(5) H LYS 66 - HG2 GLU 28 OK 20 99 - 21 - 7065/3.7=7, 1242/3.0=5...(5) H LYS 20 - HG2 GLU 28 OK 14 98 - 15 - 1235/3.0=3, 1242/3.0=3...(4) H LYS 20 - HG3 GLU 28 OK 14 98 - 15 - 1235/3.0=3, 1242/3.0=3...(4) HE ARG 30 - HG3 GLU 28 OK 11 94 - 11 - 4.0/10511=4, 6461/5.0=2...(5) HE ARG 30 - HG2 GLU 28 OK 11 94 - 11 - 4.0/10511=4, 6461/5.0=2...(5) H GLU 99 - HG2 GLU 28 lone 8 99 - 8 - 1242/3.0=2, 1235/3.0=2 H GLU 99 - HG3 GLU 28 lone 8 99 - 8 - 1242/3.0=2, 1235/3.0=2 H SER 9 - HG2 GLU 28 lone 7 84 - 8 - 8316/3.0=2, 1242/3.0=2...(4) H SER 9 - HG3 GLU 28 lone 7 84 - 8 - 8316/3.0=2, 1242/3.0=2...(4) Peak 1257 from cnoeabs.peaks (4.31, 2.06, 35.83 ppm; 4.16 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 28 + HG3 GLU 28 OK 100 100 - 100 - 3.7=100 HA GLU 28 + HG2 GLU 28 OK 100 100 - 100 - 3.7=100 HA ASP 65 - HG3 GLU 28 OK 21 100 - 21 - 1243/3.0=6, 1236/3.0=6...(5) HA ASP 65 - HG2 GLU 28 OK 21 100 - 21 - 1243/3.0=6, 1236/3.0=6...(5) HA LEU 103 - HG3 GLU 28 OK 14 94 - 15 - 1236/3.0=4, 1243/3.0=4...(4) HA LEU 103 - HG2 GLU 28 OK 14 94 - 15 - 1236/3.0=4, 1243/3.0=4...(4) Peak 1258 from cnoeabs.peaks (1.74, 2.06, 35.83 ppm; 3.66 A): 2 out of 14 assignments used, quality = 1.00: HB2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 - 3.0=100 * HB2 GLU 28 + HG3 GLU 28 OK 100 100 - 100 - 3.0=100 HD2 LYS 90 - HG3 GLU 28 OK 14 100 - 14 - 1244/3.0=3, 1230/3.7=2...(5) HD2 LYS 90 - HG2 GLU 28 OK 14 100 - 14 - 1244/3.0=3, 1230/3.7=2...(5) HD2 LYS 33 - HG3 GLU 28 lone 6 65 - 9 - 1244/3.0=1, 1230/3.7=1 HD3 LYS 33 - HG3 GLU 28 lone 6 65 - 9 - 1244/3.0=1, 1230/3.7=1 HD3 LYS 33 - HG2 GLU 28 lone 6 65 - 9 - 1244/3.0=1, 1230/3.7=1 HD2 LYS 33 - HG2 GLU 28 lone 6 65 - 9 - 1244/3.0=1, 1230/3.7=1 HG3 ARG 19 - HG2 GLU 28 lone 6 65 - 9 - 6463/5.0=2, 1230/3.7=2...(4) HG3 ARG 19 - HG3 GLU 28 lone 6 65 - 9 - 6463/5.0=2, 1230/3.7=2...(4) HB ILE 15 - HG3 GLU 28 lone 5 84 - 6 - 1230/3.7=1, 6455/5.0=1...(4) HB ILE 15 - HG2 GLU 28 lone 5 84 - 6 - 1230/3.7=1, 6455/5.0=1...(4) HD2 ARG 81 - HG2 GLU 28 lone 2 70 - 3 - HD2 ARG 81 - HG3 GLU 28 lone 2 70 - 3 - Peak 1259 from cnoeabs.peaks (1.56, 2.06, 35.83 ppm; 3.68 A): 2 out of 12 assignments used, quality = 1.00: HB3 GLU 28 + HG2 GLU 28 OK 100 100 - 100 - 3.0=100 * HB3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 - 3.0=100 HB2 LEU 3 - HG2 GLU 28 OK 15 92 - 17 - 1238/3.0=3, 6456/5.0=3...(6) HB2 LEU 3 - HG3 GLU 28 OK 15 92 - 17 - 1238/3.0=3, 6456/5.0=3...(6) HD3 LYS 82 - HG2 GLU 28 OK 11 100 - 11 - 1238/3.0=2, 1231/3.7=2...(4) HD3 LYS 82 - HG3 GLU 28 OK 11 100 - 11 - 1238/3.0=2, 1231/3.7=2...(4) HG2 LYS 33 - HG3 GLU 28 lone 7 77 - 9 - 1238/3.0=1, 1231/3.7=1 HG2 LYS 33 - HG2 GLU 28 lone 7 77 - 9 - 1238/3.0=1, 1231/3.7=1 HD3 LYS 53 - HG2 GLU 28 lone 7 90 - 8 - 1238/3.0=2, 1231/3.7=2...(4) HD3 LYS 53 - HG3 GLU 28 lone 7 90 - 8 - 1238/3.0=2, 1231/3.7=2...(4) HG LEU 103 - HG3 GLU 28 lone 4 61 - 7 - 1231/3.7=2, 1238/3.0=1 HG LEU 103 - HG2 GLU 28 lone 4 61 - 7 - 1231/3.7=2, 1238/3.0=1 Peak 1260 from cnoeabs.peaks (2.06, 2.06, 35.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 HG2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 Reference assignment not found: HG2 GLU 28 - HG3 GLU 28 Peak 1261 from cnoeabs.peaks (2.06, 2.06, 35.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 HG2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 Peak 1262 from cnoeabs.peaks (8.45, 2.06, 35.83 ppm; 4.80 A): 2 out of 6 assignments used, quality = 1.00: H LEU 29 + HG2 GLU 28 OK 97 100 - 97 - 5.0=89, 1234/3.7=33...(6) * H LEU 29 + HG3 GLU 28 OK 97 100 - 97 - 5.0=89, 1234/3.7=33...(6) H ILE 7 - HG2 GLU 28 OK 33 97 - 34 - 1241/3.0=8, 1248/3.0=8...(8) H ILE 7 - HG3 GLU 28 OK 33 97 - 34 - 1241/3.0=8, 1248/3.0=8...(8) H LYS 53 - HG3 GLU 28 OK 12 73 - 16 - 1248/3.0=4, 1241/3.0=3...(5) H LYS 53 - HG2 GLU 28 OK 12 73 - 16 - 1248/3.0=4, 1241/3.0=3...(5) Peak 1263 from cnoeabs.peaks (8.45, 5.66, 53.19 ppm; 4.29 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 29 + HA LEU 29 OK 100 100 - 100 - 2.9=100 H ILE 7 + HA LEU 29 OK 66 97 - 68 - 8238/3.6=22, 3.6/8681=19...(13) H LYS 53 - HA LEU 29 OK 17 73 - 22 - 1303/4.1=4, 1271/2.9=4...(8) Peak 1264 from cnoeabs.peaks (5.66, 5.66, 53.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 29 + HA LEU 29 OK 100 100 - 100 Peak 1265 from cnoeabs.peaks (1.16, 5.66, 53.19 ppm; 3.87 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 29 + HA LEU 29 OK 100 100 - 100 - 2.9=100 HB3 LEU 3 - HA LEU 29 OK 41 92 - 44 - 6468/2.9=6, 1281/2.9=6...(18) HG2 LYS 40 - HA LEU 29 OK 30 100 - 30 - 1281/2.9=5, 6468/2.9=4...(10) QG2 THR 31 - HA LEU 29 OK 11 61 - 18 - 8731/4.1=4, 6477/3.6=3...(8) QG2 THR 34 - HA LEU 29 lone 7 77 - 8 - 6468/2.9=1, 6477/3.6=1 Peak 1266 from cnoeabs.peaks (1.60, 5.66, 53.19 ppm; 3.97 A): 2 out of 13 assignments used, quality = 1.00: * HB3 LEU 29 + HA LEU 29 OK 100 100 - 100 - 2.9=100 HB2 ARG 30 + HA LEU 29 OK 49 97 - 51 - 4.0/6476=29, 8696/8681=5...(11) HG2 ARG 19 - HA LEU 29 OK 40 90 - 45 - 8518/4.1=12, 1274/2.9=6...(14) HG3 LYS 12 - HA LEU 29 OK 37 100 - 37 - 3.0/8668=5, 3.0/8668=5...(16) HG LEU 27 - HA LEU 29 OK 33 100 - 33 - 2.1/8667=5, 1274/2.9=3...(19) HB2 LEU 103 - HA LEU 29 OK 21 90 - 23 - 3.0/8682=4, ~8678=3...(7) HG3 LYS 90 - HA LEU 29 OK 12 87 - 14 - ~8665=2, ~6463=2...(7) HB2 ARG 79 - HA LEU 29 OK 11 99 - 11 - 6483/3.6=3, 6469/2.9=1 HD2 LYS 66 - HA LEU 29 OK 10 99 - 10 - 3.6/8668=2, 6469/2.9=1 HG LEU 103 - HA LEU 29 poor 10 81 - 12 - 3.7/8682=4, 6469/2.9=1 HD3 LYS 94 - HA LEU 29 lone 9 100 - 9 - 6483/3.6=2 HG3 LYS 73 - HA LEU 29 lone 4 100 - 4 - HG2 LYS 24 - HA LEU 29 lone 3 92 - 3 - Peak 1267 from cnoeabs.peaks (1.44, 5.66, 53.19 ppm; 3.69 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 29 + HA LEU 29 OK 100 100 - 100 - 3.6=100 QB ALA 22 + HA LEU 29 OK 71 100 - 71 - 8577/2.9=21, 10453=19...(14) HG12 ILE 7 - HA LEU 29 OK 34 90 - 38 - 4.5/1263=6, 257/2.9=5...(15) HG3 LYS 39 - HA LEU 29 OK 30 98 - 31 - 10568/4.1=8, 10568/4.1=7...(8) HG2 LYS 12 - HA LEU 29 OK 29 92 - 32 - 3.0/8668=4, 3.0/8668=4...(14) HG13 ILE 76 - HA LEU 29 OK 26 100 - 26 - 1288=7, 1289/2.9=4...(7) HG2 LYS 13 - HA LEU 29 lone 6 99 - 6 - HG3 ARG 91 - HA LEU 29 lone 1 70 - 2 - Peak 1268 from cnoeabs.peaks (0.64, 5.66, 53.19 ppm; 3.73 A): 2 out of 3 assignments used, quality = 0.99: * QD2 LEU 29 + HA LEU 29 OK 96 100 - 96 - 4.1=77, 2.1/1304=32...(19) QD1 LEU 29 + HA LEU 29 OK 86 90 - 96 - 4.1=77, 2.1/1296=32...(18) QG2 VAL 54 - HA LEU 29 OK 25 87 - 28 - 1276/2.9=4, 1284/2.9=4...(12) Peak 1269 from cnoeabs.peaks (0.65, 5.66, 53.19 ppm; 3.73 A): 2 out of 3 assignments used, quality = 0.99: * QD1 LEU 29 + HA LEU 29 OK 96 100 - 96 - 4.1=77, 2.1/1296=32...(19) QD2 LEU 29 + HA LEU 29 OK 86 90 - 96 - 4.1=77, 2.1/1304=32...(17) QG2 VAL 54 - HA LEU 29 OK 31 100 - 31 - 1277/2.9=5, 1285/2.9=5...(12) Peak 1270 from cnoeabs.peaks (9.09, 5.66, 53.19 ppm; 3.34 A): 2 out of 2 assignments used, quality = 0.94: * H ARG 30 + HA LEU 29 OK 94 100 - 94 - 3.6=82, 4.6/1296=14...(16) H VAL 83 + HA LEU 29 OK 11 65 - 17 - 1302/4.1=3, 1310/4.1=2...(8) Peak 1271 from cnoeabs.peaks (8.45, 1.16, 44.91 ppm; 4.35 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 4.0=100 H ILE 7 + HB2 LEU 29 OK 61 97 - 63 - 8238/4.3=19, 1279/1.8=13...(14) H LYS 53 - HB2 LEU 29 OK 21 73 - 28 - 1303/3.1=5, 1295/3.1=4...(8) Peak 1272 from cnoeabs.peaks (5.66, 1.16, 44.91 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 2.9=100 Peak 1273 from cnoeabs.peaks (1.16, 1.16, 44.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 29 + HB2 LEU 29 OK 100 100 - 100 Peak 1274 from cnoeabs.peaks (1.60, 1.16, 44.91 ppm; 3.31 A): 2 out of 13 assignments used, quality = 1.00: * HB3 LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 1.8=100 HG2 ARG 19 + HB2 LEU 29 OK 49 90 - 55 - 8518/3.1=11, ~8673=8...(20) HB2 ARG 30 - HB2 LEU 29 OK 34 97 - 35 - 4.0/6477=9, ~8683=8...(12) HG3 LYS 12 - HB2 LEU 29 OK 31 100 - 31 - 1.8/1275=3, 1298/3.1=2...(15) HG LEU 27 - HB2 LEU 29 OK 24 100 - 24 - 2.1/10134=3, 3.0/10482=2...(14) HB2 LEU 103 - HB2 LEU 29 OK 15 90 - 16 - 3.0/8678=3, ~8676=2...(6) HG3 LYS 90 - HB2 LEU 29 OK 11 87 - 12 - ~10285=1, ~3951=1 HB2 ARG 79 - HB2 LEU 29 lone 8 99 - 8 - 6483/4.3=2 HG LEU 103 - HB2 LEU 29 lone 8 81 - 9 - 3.7/8678=2 HD3 LYS 94 - HB2 LEU 29 lone 7 100 - 7 - HD2 LYS 66 - HB2 LEU 29 lone 7 99 - 7 - HG3 LYS 73 - HB2 LEU 29 lone 3 100 - 3 - HG2 LYS 24 - HB2 LEU 29 lone 2 92 - 2 - Peak 1275 from cnoeabs.peaks (1.44, 1.16, 44.91 ppm; 3.61 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 3.0=100 QB ALA 22 + HB2 LEU 29 OK 78 100 - 78 - 8577=17, 10453/2.9=16...(18) HG13 ILE 76 - HB2 LEU 29 OK 36 100 - 36 - 1289=6, 1288/2.9=4...(13) HG3 LYS 39 - HB2 LEU 29 OK 34 98 - 35 - 10568/3.1=10...(9) HG2 LYS 12 - HB2 LEU 29 OK 33 92 - 36 - 1.8/1274=4, 1283/1.8=4...(18) HG12 ILE 7 - HB2 LEU 29 OK 31 90 - 34 - 4.5/1271=5, 257/4.0=4...(15) HG2 LYS 13 - HB2 LEU 29 lone 6 99 - 6 - HG3 ARG 91 - HB2 LEU 29 lone 1 70 - 2 - Peak 1276 from cnoeabs.peaks (0.64, 1.16, 44.91 ppm; 3.58 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 3.1=100 QD1 LEU 29 + HB2 LEU 29 OK 90 90 - 100 - 3.1=100 QG2 VAL 54 - HB2 LEU 29 OK 30 87 - 34 - 1284/1.8=5, ~2490=3...(14) Peak 1277 from cnoeabs.peaks (0.65, 1.16, 44.91 ppm; 3.58 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 3.1=100 QD2 LEU 29 + HB2 LEU 29 OK 90 90 - 100 - 3.1=100 QG2 VAL 54 - HB2 LEU 29 OK 36 100 - 36 - 1285/1.8=6, 1269/2.9=4...(14) Peak 1278 from cnoeabs.peaks (9.09, 1.16, 44.91 ppm; 5.49 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 30 + HB2 LEU 29 OK 100 100 - 100 - 4.3=100 H VAL 83 - HB2 LEU 29 OK 25 65 - 38 - 1286/1.8=8, 1302/3.1=7...(8) Peak 1279 from cnoeabs.peaks (8.45, 1.60, 44.91 ppm; 4.24 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 4.0=100 H ILE 7 + HB3 LEU 29 OK 56 97 - 58 - 8238/4.3=18, 1271/1.8=12...(10) H LYS 53 - HB3 LEU 29 OK 17 73 - 23 - 1303/3.1=4, 1271/1.8=4...(7) Peak 1280 from cnoeabs.peaks (5.66, 1.60, 44.91 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 2.9=100 Peak 1281 from cnoeabs.peaks (1.16, 1.60, 44.91 ppm; 3.36 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 1.8=100 HB3 LEU 3 - HB3 LEU 29 OK 32 92 - 35 - 1265/2.9=5, 1305/3.1=5...(14) HG2 LYS 40 - HB3 LEU 29 OK 27 100 - 27 - 1305/3.1=4, 1265/2.9=4...(9) QG2 THR 31 - HB3 LEU 29 OK 13 61 - 21 - ~8725=4, 8731/3.1=4...(9) QG2 THR 34 - HB3 LEU 29 lone 4 77 - 6 - Peak 1282 from cnoeabs.peaks (1.60, 1.60, 44.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 29 + HB3 LEU 29 OK 100 100 - 100 Peak 1283 from cnoeabs.peaks (1.44, 1.60, 44.91 ppm; 3.68 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 3.0=100 QB ALA 22 + HB3 LEU 29 OK 82 100 - 82 - 8577/1.8=27...(19) HG2 LYS 12 - HB3 LEU 29 OK 37 92 - 40 - 1275/1.8=4, 420=3...(22) HG13 ILE 76 - HB3 LEU 29 OK 36 100 - 35 - 1289/1.8=5, 1288/2.9=5...(14) HG3 LYS 39 - HB3 LEU 29 OK 35 98 - 35 - 10568/3.1=10...(11) HG12 ILE 7 - HB3 LEU 29 OK 31 90 - 35 - 4.5/1279=5, 257/4.0=4...(14) HG2 LYS 13 - HB3 LEU 29 lone 7 99 - 7 - HG3 ARG 91 - HB3 LEU 29 lone 2 70 - 3 - Peak 1284 from cnoeabs.peaks (0.64, 1.60, 44.91 ppm; 3.60 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 3.1=100 QD1 LEU 29 + HB3 LEU 29 OK 90 90 - 100 - 3.1=100 QG2 VAL 54 - HB3 LEU 29 OK 29 87 - 34 - 1276/1.8=5, ~2490=4...(13) Peak 1285 from cnoeabs.peaks (0.65, 1.60, 44.91 ppm; 3.60 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 3.1=100 QD2 LEU 29 + HB3 LEU 29 OK 90 90 - 100 - 3.1=100 QG2 VAL 54 - HB3 LEU 29 OK 35 100 - 35 - 1277/1.8=6, 1269/2.9=4...(13) Peak 1286 from cnoeabs.peaks (9.09, 1.60, 44.91 ppm; 5.78 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 30 + HB3 LEU 29 OK 100 100 - 100 - 4.3=100 H VAL 83 - HB3 LEU 29 OK 26 65 - 40 - 1278/1.8=9, 1302/3.1=8...(6) Peak 1287 from cnoeabs.peaks (8.45, 1.44, 27.00 ppm; 4.47 A): 2 out of 6 assignments used, quality = 0.98: * H LEU 29 + HG LEU 29 OK 96 100 - 96 - 5.0=70, 6468/3.0=23...(11) H ILE 7 + HG LEU 29 OK 63 97 - 65 - 1295/2.1=15, 1303/2.1=13...(13) H ILE 7 - HG13 ILE 76 OK 38 79 - 49 - 6081=6, 6074/3.0=6...(13) H LEU 29 - HG13 ILE 76 OK 26 85 - 30 - 2.9/1288=7, 6470=4...(7) H LYS 53 - HG LEU 29 OK 20 73 - 27 - 1303/2.1=6, 1295/2.1=5...(6) H LYS 53 - HG13 ILE 76 OK 12 55 - 21 - ~9636=14, ~9199=2, 3.9/10284=1 Peak 1288 from cnoeabs.peaks (5.66, 1.44, 27.00 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 29 + HG LEU 29 OK 100 100 - 100 - 3.6=100 HA LEU 29 - HG13 ILE 76 OK 22 85 - 26 - 1267=4, 2.9/1289=4...(7) Peak 1289 from cnoeabs.peaks (1.16, 1.44, 27.00 ppm; 3.63 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 29 + HG LEU 29 OK 100 100 - 100 - 3.0=100 HB3 LEU 3 - HG LEU 29 OK 34 92 - 37 - 1305/2.1=7, 1297/2.1=6...(13) HB2 LEU 29 - HG13 ILE 76 OK 30 85 - 35 - 1275=6, 2.9/1288=5...(13) HG2 LYS 40 - HG LEU 29 OK 30 100 - 30 - 1305/2.1=5, 1297/2.1=5...(10) QG2 THR 31 - HG LEU 29 OK 14 61 - 23 - ~8725=7, 8731/2.1=6...(7) HG2 LYS 40 - HG13 ILE 76 poor 9 84 - 10 - 3.8/10875=1, 1808/3.0=1 QG2 THR 34 - HG LEU 29 lone 5 77 - 6 - HB3 LEU 3 - HG13 ILE 76 lone 5 73 - 6 - QG2 THR 31 - HG13 ILE 76 lone 2 45 - 4 - QG2 THR 34 - HG13 ILE 76 lone 1 59 - 1 - Peak 1290 from cnoeabs.peaks (1.60, 1.44, 27.00 ppm; 3.47 A): 2 out of 26 assignments used, quality = 1.00: * HB3 LEU 29 + HG LEU 29 OK 100 100 - 100 - 3.0=100 HG2 ARG 19 + HG LEU 29 OK 58 90 - 65 - 8518/2.1=15, ~8673=12...(21) HB2 ARG 30 - HG LEU 29 OK 40 97 - 42 - ~8683=13, 4.0/1294=11...(11) HG3 LYS 12 - HG LEU 29 OK 33 100 - 33 - 1298/2.1=3, 1306/2.1=3...(18) HB3 LEU 29 - HG13 ILE 76 OK 28 85 - 33 - 1283=5, 1.8/1289=4...(12) HG LEU 27 - HG LEU 29 OK 21 100 - 22 - 1274/3.0=2, 1298/2.1=2...(11) HG2 ARG 19 - HG13 ILE 76 OK 16 70 - 23 - ~8519=3, ~8516=2...(10) HB2 LEU 103 - HG LEU 29 OK 13 90 - 14 - ~8678=2, ~8676=2...(6) HG3 LYS 90 - HG LEU 29 OK 12 87 - 14 - 1.8/10285=2, 1306/2.1=1...(5) HG3 LYS 90 - HG13 ILE 76 OK 11 67 - 16 - ~10883=3, 1.8/10285=2...(6) HG3 LYS 12 - HG13 ILE 76 poor 9 84 - 11 - HB2 ARG 30 - HG13 ILE 76 poor 9 79 - 11 - 4.0/1294=3, ~8719=1...(6) HD2 LYS 66 - HG13 ILE 76 lone 8 82 - 10 - 12319/2.1=3, ~10781=3, ~10782=1 HB2 ARG 79 - HG LEU 29 lone 8 99 - 8 - 1306/2.1=1, 1298/2.1=1 HG3 LYS 73 - HG13 ILE 76 lone 8 84 - 9 - ~10395=1, ~9665=1 HD2 LYS 66 - HG LEU 29 lone 7 99 - 7 - 1298/2.1=1 HG2 LYS 24 - HG13 ILE 76 lone 7 73 - 9 - ~10352=1 HD3 LYS 94 - HG LEU 29 lone 7 100 - 7 - HG LEU 103 - HG LEU 29 lone 6 81 - 7 - HD3 LYS 94 - HG13 ILE 76 lone 6 84 - 6 - HG3 LYS 73 - HG LEU 29 lone 4 100 - 4 - HB2 ARG 79 - HG13 ILE 76 lone 4 83 - 4 - HG2 LYS 24 - HG LEU 29 lone 3 92 - 3 - HG LEU 27 - HG13 ILE 76 lone 2 84 - 2 - HB2 LEU 103 - HG13 ILE 76 lone 2 70 - 2 - HG LEU 103 - HG13 ILE 76 lone 1 62 - 2 - Peak 1291 from cnoeabs.peaks (1.44, 1.44, 27.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 29 + HG LEU 29 OK 100 100 - 100 HG13 ILE 76 + HG13 ILE 76 OK 84 84 - 100 Peak 1292 from cnoeabs.peaks (0.64, 1.44, 27.00 ppm; 3.04 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 29 + HG LEU 29 OK 100 100 - 100 - 2.1=100 QD1 LEU 29 + HG LEU 29 OK 90 90 - 100 - 2.1=100 QD2 LEU 29 - HG13 ILE 76 OK 28 85 - 33 - 10501/2.1=7, 1299=6...(11) QG2 VAL 54 - HG LEU 29 OK 21 87 - 24 - ~2490=3, ~2502=3...(9) QD1 LEU 29 - HG13 ILE 76 OK 20 70 - 29 - 1307=4, 2.1/1299=4...(11) QG2 VAL 54 - HG13 ILE 76 OK 11 67 - 16 - 11070/3.2=5, ~10885=5...(4) Peak 1293 from cnoeabs.peaks (0.65, 1.44, 27.00 ppm; 3.04 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 29 + HG LEU 29 OK 100 100 - 100 - 2.1=100 QD2 LEU 29 + HG LEU 29 OK 90 90 - 100 - 2.1=100 QD1 LEU 29 - HG13 ILE 76 OK 26 85 - 30 - 1307=5, 2.1/1299=4...(11) QG2 VAL 54 - HG LEU 29 OK 25 100 - 25 - ~2490=3, ~2502=3...(9) QD2 LEU 29 - HG13 ILE 76 OK 22 70 - 31 - 10501/2.1=6, 1299=5...(11) QG2 VAL 54 - HG13 ILE 76 OK 15 84 - 18 - 11070/3.2=7, ~10885=5...(4) Peak 1294 from cnoeabs.peaks (9.09, 1.44, 27.00 ppm; 4.10 A): 3 out of 4 assignments used, quality = 0.92: * H ARG 30 + HG LEU 29 OK 88 100 - 88 - 6476/3.6=34, 1302/2.1=31...(15) H ARG 30 + HG13 ILE 76 OK 22 85 - 26 - 3.6/1288=5, 6479=5...(9) H VAL 83 + HG LEU 29 OK 16 65 - 25 - 1302/2.1=6, 1310/2.1=5...(6) H VAL 83 - HG13 ILE 76 lone 2 49 - 3 - Peak 1295 from cnoeabs.peaks (8.45, 0.64, 24.70 ppm; 3.89 A): 2 out of 3 assignments used, quality = 0.97: * H LEU 29 + QD2 LEU 29 OK 91 100 - 91 - 4.8=53, 2.9/1296=29...(15) H ILE 7 + QD2 LEU 29 OK 61 97 - 63 - 3.6/8684=17, 8238/4.6=14...(12) H LYS 53 - QD2 LEU 29 OK 22 73 - 29 - 3.0/9200=5, 4.7/12050=5...(10) Peak 1296 from cnoeabs.peaks (5.66, 0.64, 24.70 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.98: * HA LEU 29 + QD2 LEU 29 OK 98 100 - 98 - 4.1=88, 1304/2.1=35...(19) Peak 1297 from cnoeabs.peaks (1.16, 0.64, 24.70 ppm; 3.12 A): 1 out of 5 assignments used, quality = 0.99: * HB2 LEU 29 + QD2 LEU 29 OK 99 100 - 99 - 3.1=98, 2.9/1296=19...(12) HB3 LEU 3 - QD2 LEU 29 OK 27 92 - 29 - 1305/2.1=5, ~10141=4...(10) HG2 LYS 40 - QD2 LEU 29 OK 22 100 - 22 - 1305/2.1=4, 1281/3.1=3...(9) QG2 THR 31 - QD2 LEU 29 OK 20 61 - 32 - 8731=7, 4.0/12050=6...(9) QG2 THR 34 - QD2 LEU 29 lone 4 77 - 5 - Peak 1298 from cnoeabs.peaks (1.60, 0.64, 24.70 ppm; 3.07 A): 2 out of 13 assignments used, quality = 0.99: * HB3 LEU 29 + QD2 LEU 29 OK 98 100 - 98 - 3.1=94, 1.8/1297=19...(10) HG2 ARG 19 + QD2 LEU 29 OK 62 90 - 70 - 1.8/8673=15, 8518/2.1=12...(22) HB2 ARG 30 - QD2 LEU 29 OK 43 97 - 45 - 3.0/8683=18, 4.0/1302=11...(12) HG3 LYS 12 - QD2 LEU 29 OK 27 100 - 27 - 1.8/1299=3, 1306/2.1=2...(11) HG LEU 27 - QD2 LEU 29 OK 17 100 - 17 - 1274/3.1=2, 1306/2.1=2...(7) HG3 LYS 90 - QD2 LEU 29 poor 10 87 - 11 - ~10285=1, 1306/2.1=1 HB2 LEU 103 - QD2 LEU 29 poor 10 90 - 11 - ~8678=1, ~8676=1...(4) HD2 LYS 66 - QD2 LEU 29 lone 9 99 - 9 - 3.6/8673=2 HB2 ARG 79 - QD2 LEU 29 lone 9 99 - 9 - 4.1/12050=2, 6483/4.6=1 HD3 LYS 94 - QD2 LEU 29 lone 7 100 - 7 - HG LEU 103 - QD2 LEU 29 lone 4 81 - 5 - HG3 LYS 73 - QD2 LEU 29 lone 3 100 - 3 - HG2 LYS 24 - QD2 LEU 29 lone 2 92 - 2 - Peak 1299 from cnoeabs.peaks (1.44, 0.64, 24.70 ppm; 2.91 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 29 + QD2 LEU 29 OK 100 100 - 100 - 2.1=100 QB ALA 22 + QD2 LEU 29 OK 65 100 - 65 - 8580=18, 8577/3.1=12...(19) HG13 ILE 76 - QD2 LEU 29 OK 30 100 - 30 - 2.1/10501=7, 1292=5...(11) HG12 ILE 7 - QD2 LEU 29 OK 24 90 - 27 - 3.2/10501=7, 4.5/1295=4...(12) HG3 LYS 39 - QD2 LEU 29 OK 23 98 - 24 - 10568/2.1=7, 10568=4...(7) HG2 LYS 12 - QD2 LEU 29 OK 22 92 - 24 - 1.8/1298=3, 1307/2.1=2...(9) HG2 LYS 13 - QD2 LEU 29 lone 5 99 - 5 - HG3 ARG 91 - QD2 LEU 29 lone 1 70 - 2 - Peak 1300 from cnoeabs.peaks (0.64, 0.64, 24.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + QD2 LEU 29 OK 100 100 - 100 Peak 1301 from cnoeabs.peaks (0.65, 0.64, 24.70 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: QD2 LEU 29 + QD2 LEU 29 OK 90 90 - 100 Reference assignment not found: QD1 LEU 29 - QD2 LEU 29 Peak 1302 from cnoeabs.peaks (9.09, 0.64, 24.70 ppm; 3.99 A): 1 out of 2 assignments used, quality = 0.96: * H ARG 30 + QD2 LEU 29 OK 96 100 - 96 - 4.6=66, 3.0/8683=30...(16) H VAL 83 - QD2 LEU 29 OK 18 65 - 27 - 1310/2.1=5, 1294/2.1=4...(9) Peak 1303 from cnoeabs.peaks (8.45, 0.65, 26.64 ppm; 4.50 A): 2 out of 3 assignments used, quality = 0.99: * H LEU 29 + QD1 LEU 29 OK 98 100 - 98 - 4.8=82, 2.9/1304=37...(16) H ILE 7 + QD1 LEU 29 OK 69 97 - 71 - 3.6/8687=22, 8238/4.6=19...(13) H LYS 53 - QD1 LEU 29 OK 31 73 - 42 - 3.0/9200=8, 4.7/6897=7...(13) Peak 1304 from cnoeabs.peaks (5.66, 0.65, 26.64 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.98: * HA LEU 29 + QD1 LEU 29 OK 98 100 - 98 - 4.1=89, 1296/2.1=35...(19) Peak 1305 from cnoeabs.peaks (1.16, 0.65, 26.64 ppm; 3.38 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 29 + QD1 LEU 29 OK 100 100 - 100 - 3.1=100 HB3 LEU 3 - QD1 LEU 29 OK 34 92 - 38 - 1.8/10141=8, 1297/2.1=6...(14) HG2 LYS 40 - QD1 LEU 29 OK 27 100 - 27 - 1297/2.1=5, 1289/2.1=4...(11) QG2 THR 31 - QD1 LEU 29 OK 19 61 - 31 - ~8725=6, 8731/2.1=5...(11) QG2 THR 34 - QD1 LEU 29 lone 5 77 - 6 - Peak 1306 from cnoeabs.peaks (1.60, 0.65, 26.64 ppm; 3.54 A): 3 out of 13 assignments used, quality = 1.00: * HB3 LEU 29 + QD1 LEU 29 OK 100 100 - 100 - 3.1=100 HG2 ARG 19 + QD1 LEU 29 OK 73 90 - 82 - 8518=20, ~8673=12...(28) HB2 ARG 30 + QD1 LEU 29 OK 48 97 - 49 - 4.0/1310=14, ~8683=13...(13) HG3 LYS 12 - QD1 LEU 29 OK 32 100 - 32 - 1298/2.1=3, 1.8/1307=3...(15) HG LEU 27 - QD1 LEU 29 OK 23 100 - 23 - 1298/2.1=2, 1274/3.1=2...(12) HB2 LEU 103 - QD1 LEU 29 OK 16 90 - 18 - 4.0/10503=4, ~8678=2...(7) HG3 LYS 90 - QD1 LEU 29 OK 15 87 - 17 - 2.9/10499=2, ~10285=2...(6) HB2 ARG 79 - QD1 LEU 29 OK 13 99 - 13 - 4.1/12049=2, 6483/4.6=2...(5) HD3 LYS 94 - QD1 LEU 29 lone 9 100 - 9 - 6483/4.6=1 HD2 LYS 66 - QD1 LEU 29 lone 9 99 - 9 - 1298/2.1=1 HG LEU 103 - QD1 LEU 29 poor 9 81 - 11 - 5.3/10503=3 HG3 LYS 73 - QD1 LEU 29 lone 4 100 - 4 - HG2 LYS 24 - QD1 LEU 29 lone 3 92 - 3 - Peak 1307 from cnoeabs.peaks (1.44, 0.65, 26.64 ppm; 2.88 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 29 + QD1 LEU 29 OK 100 100 - 100 - 2.1=100 QB ALA 22 + QD1 LEU 29 OK 64 100 - 64 - 8580/2.1=13, 8577/3.1=12...(18) HG13 ILE 76 - QD1 LEU 29 OK 27 100 - 27 - 1293=4, 1299/2.1=3...(11) HG3 LYS 39 - QD1 LEU 29 OK 24 98 - 24 - 10568=7, 10568/2.1=5...(7) HG12 ILE 7 - QD1 LEU 29 OK 21 90 - 23 - 4.5/1303=3, 1299/2.1=3...(12) HG2 LYS 12 - QD1 LEU 29 OK 19 92 - 21 - 1299/2.1=2, 1.8/1306=2...(8) HG2 LYS 13 - QD1 LEU 29 lone 4 99 - 4 - HG3 ARG 91 - QD1 LEU 29 lone 1 70 - 1 - Peak 1308 from cnoeabs.peaks (0.64, 0.65, 26.64 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: QD1 LEU 29 + QD1 LEU 29 OK 90 90 - 100 Reference assignment not found: QD2 LEU 29 - QD1 LEU 29 Peak 1309 from cnoeabs.peaks (0.65, 0.65, 26.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + QD1 LEU 29 OK 100 100 - 100 Peak 1310 from cnoeabs.peaks (9.09, 0.65, 26.64 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.98: * H ARG 30 + QD1 LEU 29 OK 98 100 - 98 - 4.6=80, 1302/2.1=33...(18) H VAL 83 - QD1 LEU 29 OK 19 65 - 28 - 1302/2.1=6, 1294/2.1=5...(7) Peak 1311 from cnoeabs.peaks (9.09, 4.91, 53.42 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 30 + HA ARG 30 OK 100 100 - 100 - 3.0=100 H VAL 83 - HA ARG 30 OK 24 65 - 36 - 1320/3.0=7, 1329/3.0=7...(9) Peak 1312 from cnoeabs.peaks (4.91, 4.91, 53.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 30 + HA ARG 30 OK 100 100 - 100 Peak 1313 from cnoeabs.peaks (1.60, 4.91, 53.42 ppm; 6.21 A): 4 out of 13 assignments used, quality = 1.00: * HB2 ARG 30 + HA ARG 30 OK 100 100 - 100 - 3.0=100 HB3 LEU 29 + HA ARG 30 OK 95 97 - 98 - 3.1/8683=47, ~6476=39...(22) HB2 ARG 79 + HA ARG 30 OK 84 100 - 85 - 3.8/1318=13, 3.0/1348=12...(22) HD3 LYS 94 + HA ARG 30 OK 73 99 - 74 - 4246/3.0=12, 3.0/1314=10...(24) HG LEU 27 - HA ARG 30 OK 34 99 - 35 - ~8713=4, 1367/5.2=4...(14) HG3 LYS 90 - HA ARG 30 OK 28 61 - 45 - ~1324=8, 1.8/1315=8...(15) HD2 LYS 66 - HA ARG 30 OK 19 100 - 19 - 2940/3.6=3, 2930/6.5=2...(8) HG3 LYS 12 - HA ARG 30 OK 17 94 - 18 - ~8715=4, ~6479=3...(4) HB2 LEU 103 - HA ARG 30 OK 13 65 - 19 - ~8716=2, 1.8/1316=2...(8) HG2 ARG 19 - HA ARG 30 OK 10 65 - 16 - 1298/8683=5, 6478/3.0=3 HG3 LYS 73 - HA ARG 30 lone 7 99 - 7 - HG3 LYS 47 - HA ARG 30 lone 3 61 - 5 - HG2 LYS 24 - HA ARG 30 lone 3 70 - 5 - Peak 1314 from cnoeabs.peaks (1.37, 4.91, 53.42 ppm; 4.02 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ARG 30 + HA ARG 30 OK 100 100 - 100 - 3.0=100 HG3 LYS 94 - HA ARG 30 OK 44 92 - 48 - 1323/3.0=8, 1341/3.9=5...(18) HB2 LEU 70 - HA ARG 30 OK 29 100 - 29 - 1323/3.0=5, 1341/3.9=3...(14) HG12 ILE 8 - HA ARG 30 OK 25 96 - 27 - 6494/3.6=4, 1323/3.0=4...(12) HG3 LYS 40 - HA ARG 30 OK 14 87 - 15 - ~6477=3, 6484/3.0=3...(6) Peak 1315 from cnoeabs.peaks (1.29, 4.91, 53.42 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 30 + HA ARG 30 OK 100 100 - 100 - 3.9=100 HB3 LEU 42 - HA ARG 30 OK 34 94 - 37 - 1333/3.0=7, 1324/3.0=7...(11) HG2 LYS 90 - HA ARG 30 OK 28 97 - 29 - 1333/3.0=6, 1324/3.0=6...(8) HG LEU 3 - HA ARG 30 OK 26 99 - 26 - 6485/3.0=5, 1324/3.0=5...(8) Peak 1316 from cnoeabs.peaks (1.53, 4.91, 53.42 ppm; 4.84 A): 4 out of 10 assignments used, quality = 1.00: * HG3 ARG 30 + HA ARG 30 OK 100 100 - 100 - 3.9=100 HG2 ARG 79 + HA ARG 30 OK 82 99 - 83 - 1348=12, 3.0/1318=11...(30) HG3 ARG 79 + HA ARG 30 OK 81 99 - 83 - 1348=12, 1.8/1348=11...(30) HG LEU 6 + HA ARG 30 OK 59 99 - 60 - ~10232=19, ~8718=11...(12) HB ILE 7 - HA ARG 30 OK 38 96 - 40 - 8254/4.8=9, ~10380=7...(11) HG12 ILE 56 - HA ARG 30 OK 25 100 - 25 - 2578/4.8=8, 6496/3.6=4...(9) HB2 LEU 14 - HA ARG 30 OK 23 96 - 24 - ~8718=3, 1325/3.0=2...(11) HB3 LEU 103 - HA ARG 30 OK 14 97 - 14 - 1325/3.0=1, 1334/3.0=1...(5) HG LEU 2 - HA ARG 30 OK 11 77 - 15 - 68/3.6=3, ~8716=3...(6) HG2 LYS 33 - HA ARG 30 lone 1 65 - 2 - Peak 1317 from cnoeabs.peaks (2.67, 4.91, 53.42 ppm; 3.85 A): 3 out of 3 assignments used, quality = 0.87: * HD2 ARG 30 + HA ARG 30 OK 79 100 - 79 - 1357=41, 1.8/1366=37...(11) HB3 ASN 51 + HA ARG 30 OK 25 100 - 25 - 1326/3.0=5, 1335/3.0=5...(7) HD3 ARG 91 + HA ARG 30 OK 17 90 - 19 - 1344/3.9=4, 1326/3.0=4...(7) Peak 1318 from cnoeabs.peaks (3.08, 4.91, 53.42 ppm; 3.95 A): 3 out of 7 assignments used, quality = 0.96: * HD3 ARG 30 + HA ARG 30 OK 83 100 - 83 - 1366=50, 1.8/1357=36...(11) HD3 ARG 79 + HA ARG 30 OK 52 92 - 56 - 1327/3.0=7, 3.0/1348=7...(23) HD2 ARG 79 + HA ARG 30 OK 48 87 - 56 - 3.0/1348=7, 1327/3.0=6...(23) HB2 PHE 96 - HA ARG 30 lone 3 77 - 4 - HB2 TRP 92 - HA ARG 30 lone 2 70 - 3 - HB3 ASN 26 - HA ARG 30 lone 1 70 - 2 - HB3 HIS 105 - HA ARG 30 lone 1 61 - 1 - Peak 1319 from cnoeabs.peaks (8.50, 4.91, 53.42 ppm; 3.12 A): 4 out of 6 assignments used, quality = 0.91: * H THR 31 + HA ARG 30 OK 82 100 - 82 - 3.6=67, 6491/3.0=12...(11) H ARG 79 + HA ARG 30 OK 29 100 - 29 - 7289/3.0=5, 1337/3.0=4...(13) H VAL 32 + HA ARG 30 OK 22 73 - 30 - 4.6/6492=14, 6505/4.8=6...(7) H VAL 54 + HA ARG 30 OK 11 98 - 11 - 6489/3.0=3, 12050/8683=2...(5) H LEU 2 - HA ARG 30 lone 5 84 - 6 - 1328/3.0=1 H ALA 67 - HA ARG 30 lone 4 73 - 5 - Peak 1320 from cnoeabs.peaks (9.09, 1.60, 32.55 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 30 + HB2 ARG 30 OK 100 100 - 100 - 4.0=100 H VAL 83 - HB2 ARG 30 OK 22 65 - 34 - 1329/1.8=7, 1338/2.9=6...(9) Peak 1321 from cnoeabs.peaks (4.91, 1.60, 32.55 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 30 + HB2 ARG 30 OK 100 100 - 100 - 3.0=100 Peak 1322 from cnoeabs.peaks (1.60, 1.60, 32.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 30 + HB2 ARG 30 OK 100 100 - 100 Peak 1323 from cnoeabs.peaks (1.37, 1.60, 32.55 ppm; 3.30 A): 2 out of 5 assignments used, quality = 1.00: * HB3 ARG 30 + HB2 ARG 30 OK 100 100 - 100 - 1.8=100 HG3 LYS 94 + HB2 ARG 30 OK 49 92 - 53 - 4226=7, 1.8/4215=5...(23) HB2 LEU 70 - HB2 ARG 30 OK 27 100 - 27 - 1341/2.9=3, 1314/3.0=3...(15) HG12 ILE 8 - HB2 ARG 30 OK 20 96 - 21 - 1341/2.9=2, 1314/3.0=2...(11) HG3 LYS 40 - HB2 ARG 30 lone 9 87 - 10 - 6484/4.0=1, 1314/3.0=1 Peak 1324 from cnoeabs.peaks (1.29, 1.60, 32.55 ppm; 3.78 A): 2 out of 4 assignments used, quality = 1.00: * HG2 ARG 30 + HB2 ARG 30 OK 100 100 - 100 - 2.9=100 HB3 LEU 42 + HB2 ARG 30 OK 47 94 - 51 - 1333/1.8=8, 3.1/8717=7...(17) HG2 LYS 90 - HB2 ARG 30 OK 39 97 - 40 - 1333/1.8=7, 1360/3.6=4...(15) HG LEU 3 - HB2 ARG 30 OK 33 99 - 33 - 1333/1.8=5, 1315/3.0=4...(13) Peak 1325 from cnoeabs.peaks (1.53, 1.60, 32.55 ppm; 3.78 A): 4 out of 10 assignments used, quality = 1.00: * HG3 ARG 30 + HB2 ARG 30 OK 100 100 - 100 - 2.9=100 HG2 ARG 79 + HB2 ARG 30 OK 75 99 - 75 - 3.0/3516=7, 1334/1.8=7...(38) HG3 ARG 79 + HB2 ARG 30 OK 74 99 - 75 - 3.0/3516=7, 1334/1.8=7...(37) HG LEU 6 + HB2 ARG 30 OK 57 99 - 57 - 3.7/8696=14, 2.1/8717=11...(18) HB2 LEU 14 - HB2 ARG 30 OK 23 96 - 24 - 3.1/8717=3, ~8718=3...(11) HB ILE 7 - HB2 ARG 30 OK 21 96 - 22 - ~8719=3, 2.1/8716=3...(7) HG12 ILE 56 - HB2 ARG 30 OK 17 100 - 17 - 6496/4.7=2, 1334/1.8=2...(7) HB3 LEU 103 - HB2 ARG 30 OK 14 97 - 14 - 1334/1.8=1, 3.1/8716=1 HG LEU 2 - HB2 ARG 30 poor 10 77 - 13 - 2.1/8716=2, 68/4.7=2...(4) HG2 LYS 33 - HB2 ARG 30 lone 1 65 - 2 - Peak 1326 from cnoeabs.peaks (2.67, 1.60, 32.55 ppm; 4.56 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 30 + HB2 ARG 30 OK 100 100 - 100 - 3.6=100 HB3 ASN 51 - HB2 ARG 30 OK 38 100 - 38 - 1335/1.8=9, 1344/2.9=8...(7) HD3 ARG 91 - HB2 ARG 30 OK 27 90 - 30 - 1344/2.9=7, 1335/1.8=6...(7) Peak 1327 from cnoeabs.peaks (3.08, 1.60, 32.55 ppm; 4.65 A): 3 out of 7 assignments used, quality = 1.00: * HD3 ARG 30 + HB2 ARG 30 OK 100 100 - 100 - 3.6=100 HD3 ARG 79 + HB2 ARG 30 OK 75 92 - 82 - 1336/1.8=11, 1318/3.0=10...(32) HD2 ARG 79 + HB2 ARG 30 OK 71 87 - 82 - 1336/1.8=10, 1318/3.0=10...(32) HB2 PHE 96 - HB2 ARG 30 lone 6 77 - 7 - 11052/5.0=1, 1345/2.9=1 HB3 ASN 26 - HB2 ARG 30 lone 5 70 - 7 - 3.8/10509=2, 4.7/6442=2 HB2 TRP 92 - HB2 ARG 30 lone 4 70 - 5 - HB3 HIS 105 - HB2 ARG 30 lone 1 61 - 2 - Peak 1328 from cnoeabs.peaks (8.50, 1.60, 32.55 ppm; 4.21 A): 2 out of 6 assignments used, quality = 0.98: * H THR 31 + HB2 ARG 30 OK 95 100 - 95 - 4.7=74, 6492/3.0=43...(9) H ARG 79 + HB2 ARG 30 OK 64 100 - 65 - 7289=12, 1337/1.8=9...(19) H VAL 32 - HB2 ARG 30 OK 26 73 - 35 - 4.6/6493=10, 10513/1.8=8...(9) H VAL 54 - HB2 ARG 30 OK 20 98 - 20 - 6489/4.0=4, 1337/1.8=3...(7) H LEU 2 - HB2 ARG 30 OK 15 84 - 17 - 4.6/10509=3, 4.7/8716=2...(8) H ALA 67 - HB2 ARG 30 OK 10 73 - 13 - 1337/1.8=1, ~2979=1, 1319/3.0=1 Peak 1329 from cnoeabs.peaks (9.09, 1.37, 32.55 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 30 + HB3 ARG 30 OK 100 100 - 100 - 4.0=100 H VAL 83 - HB3 ARG 30 OK 20 65 - 30 - 1320/1.8=6, 1338/2.9=5...(9) Peak 1330 from cnoeabs.peaks (4.91, 1.37, 32.55 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 30 + HB3 ARG 30 OK 100 100 - 100 - 3.0=100 Peak 1331 from cnoeabs.peaks (1.60, 1.37, 32.55 ppm; 3.25 A): 3 out of 13 assignments used, quality = 1.00: * HB2 ARG 30 + HB3 ARG 30 OK 100 100 - 100 - 1.8=100 HB2 ARG 79 + HB3 ARG 30 OK 54 100 - 54 - 4.6/10919=6, ~3516=5...(30) HD3 LYS 94 + HB3 ARG 30 OK 48 99 - 49 - 4246=10, 1.8/4235=7...(23) HB3 LEU 29 - HB3 ARG 30 OK 32 97 - 33 - 4.3/6484=9, ~8683=7...(15) HG3 LYS 90 - HB3 ARG 30 OK 15 61 - 25 - 1.8/1333=5, ~1324=3...(9) HG LEU 27 - HB3 ARG 30 OK 15 99 - 15 - 1367/3.6=2, 1358/3.6=2...(6) HD2 LYS 66 - HB3 ARG 30 lone 8 100 - 7 - HB2 LEU 103 - HB3 ARG 30 lone 6 65 - 9 - HG3 LYS 12 - HB3 ARG 30 lone 4 94 - 4 - HG3 LYS 73 - HB3 ARG 30 lone 3 99 - 3 - HG2 ARG 19 - HB3 ARG 30 lone 3 65 - 4 - HG3 LYS 47 - HB3 ARG 30 lone 1 61 - 2 - HG2 LYS 24 - HB3 ARG 30 lone 1 70 - 1 - Peak 1332 from cnoeabs.peaks (1.37, 1.37, 32.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 30 + HB3 ARG 30 OK 100 100 - 100 Peak 1333 from cnoeabs.peaks (1.29, 1.37, 32.55 ppm; 3.49 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 30 + HB3 ARG 30 OK 100 100 - 100 - 2.9=100 HB3 LEU 42 - HB3 ARG 30 OK 42 94 - 45 - 3.1/8718=7, 1324/1.8=7...(17) HG2 LYS 90 - HB3 ARG 30 OK 33 97 - 34 - 1324/1.8=6, 1315/3.0=3...(15) HG LEU 3 - HB3 ARG 30 OK 27 99 - 27 - 1324/1.8=5, 1315/3.0=3...(12) Peak 1334 from cnoeabs.peaks (1.53, 1.37, 32.55 ppm; 3.65 A): 4 out of 10 assignments used, quality = 1.00: * HG3 ARG 30 + HB3 ARG 30 OK 100 100 - 100 - 2.9=100 HG2 ARG 79 + HB3 ARG 30 OK 74 99 - 75 - 1350=8, 1325/1.8=7...(36) HG3 ARG 79 + HB3 ARG 30 OK 73 99 - 75 - 1350=7, 1325/1.8=7...(36) HG LEU 6 + HB3 ARG 30 OK 56 99 - 57 - 2.1/8718=14, 3.7/8699=13...(18) HB ILE 7 - HB3 ARG 30 OK 22 96 - 23 - 2.1/8719=4, 6486/4.0=2...(8) HB2 LEU 14 - HB3 ARG 30 OK 22 96 - 23 - 3.1/8718=4, 1325/1.8=2...(7) HG12 ILE 56 - HB3 ARG 30 OK 17 100 - 17 - 6496/4.7=2, 1325/1.8=2...(5) HB3 LEU 103 - HB3 ARG 30 OK 13 97 - 13 - 1325/1.8=1, 1343/2.9=1 HG LEU 2 - HB3 ARG 30 poor 9 77 - 12 - ~8716=2, 2.1/8719=2, 68/4.7=2 HG2 LYS 33 - HB3 ARG 30 lone 1 65 - 2 - Peak 1335 from cnoeabs.peaks (2.67, 1.37, 32.55 ppm; 4.69 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 30 + HB3 ARG 30 OK 100 100 - 100 - 3.6=100 HB3 ASN 51 - HB3 ARG 30 OK 40 100 - 40 - 1326/1.8=10, 1344/2.9=8...(7) HD3 ARG 91 - HB3 ARG 30 OK 28 90 - 31 - 1344/2.9=7, 1326/1.8=7...(7) Peak 1336 from cnoeabs.peaks (3.08, 1.37, 32.55 ppm; 4.93 A): 3 out of 7 assignments used, quality = 1.00: * HD3 ARG 30 + HB3 ARG 30 OK 100 100 - 100 - 3.6=100 HD3 ARG 79 + HB3 ARG 30 OK 78 92 - 85 - 1327/1.8=12, 1318/3.0=11...(34) HD2 ARG 79 + HB3 ARG 30 OK 73 87 - 84 - 1327/1.8=12, 1318/3.0=10...(34) HB2 PHE 96 - HB3 ARG 30 lone 6 77 - 7 - 11052/5.0=1, 1345/2.9=1 HB2 TRP 92 - HB3 ARG 30 lone 4 70 - 6 - HB3 ASN 26 - HB3 ARG 30 lone 3 70 - 4 - HB3 HIS 105 - HB3 ARG 30 lone 1 61 - 2 - Peak 1337 from cnoeabs.peaks (8.50, 1.37, 32.55 ppm; 4.55 A): 2 out of 6 assignments used, quality = 1.00: * H THR 31 + HB3 ARG 30 OK 99 100 - 99 - 4.7=94, 6492/3.0=46...(11) H ARG 79 + HB3 ARG 30 OK 68 100 - 68 - 4.6/10919=13...(18) H VAL 32 - HB3 ARG 30 OK 33 73 - 45 - 4.6/6494=15, 1319/3.0=6...(11) H VAL 54 - HB3 ARG 30 OK 22 98 - 22 - 6489/4.0=5, 1328/1.8=4...(7) H LEU 2 - HB3 ARG 30 OK 14 84 - 17 - 1328/1.8=3, 1346/2.9=2...(8) H ALA 67 - HB3 ARG 30 poor 10 73 - 13 - 1328/1.8=2, 3.0/2979=2...(7) Peak 1338 from cnoeabs.peaks (9.09, 1.29, 26.44 ppm; 4.93 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 30 + HG2 ARG 30 OK 100 100 - 100 - 4.9=100 H VAL 83 - HG2 ARG 30 OK 22 65 - 33 - 1320/2.9=7, 1329/2.9=6...(7) Peak 1339 from cnoeabs.peaks (4.91, 1.29, 26.44 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 30 + HG2 ARG 30 OK 100 100 - 100 - 3.9=100 Peak 1340 from cnoeabs.peaks (1.60, 1.29, 26.44 ppm; 3.75 A): 2 out of 13 assignments used, quality = 1.00: * HB2 ARG 30 + HG2 ARG 30 OK 100 100 - 100 - 2.9=100 HB2 ARG 79 + HG2 ARG 30 OK 70 100 - 71 - 3510/1.8=7, 3.0/1343=7...(33) HD3 LYS 94 - HG2 ARG 30 OK 44 99 - 45 - 4246/2.9=8, 3.0/1341=6...(20) HB3 LEU 29 - HG2 ARG 30 OK 34 97 - 35 - 4.3/6485=9, 4.0/8665=4...(14) HG3 LYS 90 - HG2 ARG 30 OK 29 61 - 46 - 2.8/3928=6, 2.9/3972=5...(19) HG LEU 27 - HG2 ARG 30 OK 23 99 - 23 - ~10138=3, 2.1/8721=3...(10) HD2 LYS 66 - HG2 ARG 30 lone 9 100 - 9 - 2930/4.0=1 HB2 LEU 103 - HG2 ARG 30 poor 9 65 - 13 - 1.8/1343=1 HG3 LYS 12 - HG2 ARG 30 lone 5 94 - 5 - HG2 ARG 19 - HG2 ARG 30 lone 4 65 - 6 - HG3 LYS 73 - HG2 ARG 30 lone 3 99 - 3 - HG2 LYS 24 - HG2 ARG 30 lone 2 70 - 3 - HG3 LYS 47 - HG2 ARG 30 lone 1 61 - 2 - Peak 1341 from cnoeabs.peaks (1.37, 1.29, 26.44 ppm; 3.95 A): 2 out of 5 assignments used, quality = 1.00: * HB3 ARG 30 + HG2 ARG 30 OK 100 100 - 100 - 2.9=100 HG3 LYS 94 + HG2 ARG 30 OK 47 92 - 51 - 1323/2.9=8, 1350/1.8=6...(20) HB2 LEU 70 - HG2 ARG 30 OK 29 100 - 29 - 1323/2.9=5, 1350/1.8=3...(13) HG12 ILE 8 - HG2 ARG 30 OK 25 96 - 26 - 1323/2.9=3, 1350/1.8=3...(10) HG3 LYS 40 - HG2 ARG 30 OK 11 87 - 13 - 1359/3.0=2, 1323/2.9=2...(6) Peak 1342 from cnoeabs.peaks (1.29, 1.29, 26.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 30 + HG2 ARG 30 OK 100 100 - 100 Peak 1343 from cnoeabs.peaks (1.53, 1.29, 26.44 ppm; 3.17 A): 3 out of 10 assignments used, quality = 1.00: * HG3 ARG 30 + HG2 ARG 30 OK 100 100 - 100 - 1.8=100 HG2 ARG 79 + HG2 ARG 30 OK 66 99 - 67 - 1351=8, 1.8/1351=5...(47) HG3 ARG 79 + HG2 ARG 30 OK 66 99 - 67 - 1351=7, 1.8/1351=6...(46) HG LEU 6 - HG2 ARG 30 OK 41 99 - 42 - 2.1/8720=7, ~8718=4...(17) HB2 LEU 14 - HG2 ARG 30 OK 18 96 - 19 - 3.1/8720=3, ~8723=1...(8) HB ILE 7 - HG2 ARG 30 OK 14 96 - 15 - ~8719=2, 6486/4.9=1...(5) HB3 LEU 103 - HG2 ARG 30 OK 10 97 - 10 - HG12 ILE 56 - HG2 ARG 30 lone 10 100 - 10 - HG LEU 2 - HG2 ARG 30 lone 6 77 - 8 - HG2 LYS 33 - HG2 ARG 30 lone 1 65 - 1 - Peak 1344 from cnoeabs.peaks (2.67, 1.29, 26.44 ppm; 4.23 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 30 + HG2 ARG 30 OK 100 100 - 100 - 3.0=100 HB3 ASN 51 - HG2 ARG 30 OK 39 100 - 39 - 1326/2.9=7, 1335/2.9=6...(11) HD3 ARG 91 - HG2 ARG 30 OK 32 90 - 36 - 1371/3.0=5, 1326/2.9=5...(13) Peak 1345 from cnoeabs.peaks (3.08, 1.29, 26.44 ppm; 4.40 A): 3 out of 7 assignments used, quality = 1.00: * HD3 ARG 30 + HG2 ARG 30 OK 100 100 - 100 - 3.0=100 HD3 ARG 79 + HG2 ARG 30 OK 71 92 - 77 - 1363/3.0=9, 1327/2.9=8...(34) HD2 ARG 79 + HG2 ARG 30 OK 66 87 - 77 - 3.0/1343=8, 3.0/1343=8...(34) HB2 PHE 96 - HG2 ARG 30 lone 7 77 - 9 - 11052/4.0=1, ~4337=1, ~4316=1 HB2 TRP 92 - HG2 ARG 30 lone 4 70 - 5 - HB3 ASN 26 - HG2 ARG 30 lone 3 70 - 4 - HB3 HIS 105 - HG2 ARG 30 lone 1 61 - 2 - Peak 1346 from cnoeabs.peaks (8.50, 1.29, 26.44 ppm; 5.69 A): 2 out of 6 assignments used, quality = 0.99: * H THR 31 + HG2 ARG 30 OK 93 100 - 93 - 6492/3.9=49, 6491/4.9=28...(16) H ARG 79 + HG2 ARG 30 OK 81 100 - 81 - 1328/2.9=13, 1373/3.0=13...(19) H VAL 32 - HG2 ARG 30 OK 37 73 - 50 - 4.6/6495=17...(9) H VAL 54 - HG2 ARG 30 OK 37 98 - 37 - 4.0/10653=6, 6489/4.9=6...(10) H LEU 2 - HG2 ARG 30 OK 22 84 - 26 - 4.6/6027=7, 1328/2.9=3...(9) H ALA 67 - HG2 ARG 30 OK 14 73 - 19 - 4.7/10508=3, 1328/2.9=2...(8) Peak 1347 from cnoeabs.peaks (9.09, 1.53, 26.44 ppm; 4.87 A): 1 out of 6 assignments used, quality = 1.00: * H ARG 30 + HG3 ARG 30 OK 100 100 - 100 - 4.9=97, 6484/2.9=25...(16) H ARG 30 - HG2 ARG 79 OK 41 66 - 62 - 3.0/1348=10, 6486=7...(18) H ARG 30 - HG3 ARG 79 OK 38 62 - 62 - 3.0/1348=9, 6486=7...(19) H VAL 83 - HG3 ARG 30 OK 22 65 - 34 - 1338/1.8=7, 1320/2.9=6...(6) H VAL 83 - HG2 ARG 79 poor 4 36 - 11 - 7343/4.1=4, 3.6/3524=1 H VAL 83 - HG3 ARG 79 poor 4 34 - 11 - 7343/4.1=4, 3.6/3524=1 Peak 1348 from cnoeabs.peaks (4.91, 1.53, 26.44 ppm; 4.32 A): 3 out of 3 assignments used, quality = 1.00: * HA ARG 30 + HG3 ARG 30 OK 100 100 - 100 - 3.9=100 HA ARG 30 + HG2 ARG 79 OK 49 66 - 74 - 1318/3.0=9, 1318/3.0=9...(30) HA ARG 30 + HG3 ARG 79 OK 46 62 - 74 - 1318/3.0=9, 1318/3.0=9...(30) Peak 1349 from cnoeabs.peaks (1.60, 1.53, 26.44 ppm; 2.61 A): 4 out of 39 assignments used, quality = 0.96: * HB2 ARG 30 + HG3 ARG 30 OK 76 100 - 76 - 2.9=70, ~1366=4, ~1357=4...(7) HB2 ARG 79 + HG2 ARG 79 OK 51 65 - 78 - 3.0=67, ~3535=4...(17) HB2 ARG 79 + HG3 ARG 79 OK 48 61 - 78 - 3.0=67, ~3535=4...(17) HB2 ARG 79 + HG3 ARG 30 OK 36 100 - 36 - 3509=5, 1340/1.8=3...(15) HB2 ARG 30 - HG2 ARG 79 OK 29 66 - 44 - 3516/3.0=4, 1.8/1350=3...(24) HB2 ARG 30 - HG3 ARG 79 OK 27 62 - 44 - 3516/3.0=4, 2.9/1343=3...(24) HD3 LYS 94 - HG3 ARG 30 OK 21 99 - 22 - 4246/2.9=4, 1340/1.8=2...(9) HB3 LEU 29 - HG3 ARG 30 OK 14 97 - 14 - 4.3/1347=3, 1331/2.9=2...(5) HG3 LYS 90 - HG3 ARG 30 OK 10 61 - 17 - 1.8/1351=3, ~3928=2...(9) HG LEU 27 - HG3 ARG 30 OK 10 99 - 10 - ~10138=1, 1367/3.0=1...(5) HG LEU 27 - HG2 ARG 79 poor 7 63 - 11 - 3516/3.0=2, ~10139=1 HG LEU 27 - HG3 ARG 79 poor 6 59 - 11 - 3516/3.0=2, ~10139=1 HB2 LEU 103 - HG3 ARG 30 lone 5 65 - 7 - HB2 LEU 103 - HG2 ARG 79 poor 4 36 - 11 - HB2 LEU 103 - HG3 ARG 79 poor 4 34 - 10 - HD2 LYS 66 - HG3 ARG 30 lone 3 100 - 3 - HB3 LEU 29 - HG2 ARG 79 lone 3 61 - 5 - 4.3/1347=1 HB3 LEU 29 - HG3 ARG 79 lone 3 57 - 5 - 4.3/1347=1 HG3 LYS 73 - HG2 ARG 79 lone 2 63 - 3 - HG3 LYS 73 - HG3 ARG 79 lone 2 59 - 3 - HG3 LYS 12 - HG3 ARG 30 lone 2 94 - 2 - HD3 LYS 94 - HG2 ARG 79 lone 2 63 - 3 - HD3 LYS 94 - HG3 ARG 79 lone 1 59 - 3 - HG2 ARG 19 - HG3 ARG 30 lone 1 65 - 2 - HG3 LYS 73 - HG3 ARG 30 lone 1 99 - 1 - HD2 LYS 66 - HG2 ARG 79 lone 1 66 - 1 - HD2 LYS 66 - HG3 ARG 79 lone 1 62 - 1 - HG3 LYS 12 - HG2 ARG 79 lone 1 57 - 1 - HG3 LYS 12 - HG3 ARG 79 lone 1 54 - 1 - HG2 LYS 24 - HG3 ARG 30 lone 0 70 - 1 - HG3 LYS 47 - HG3 ARG 30 lone 0 61 - 1 - HG3 LYS 90 - HG2 ARG 79 lone 0 33 - 1 - HG3 LYS 90 - HG3 ARG 79 lone 0 31 - 1 - HG2 ARG 19 - HG2 ARG 79 lone 0 36 - 1 - HG2 ARG 19 - HG3 ARG 79 lone 0 34 - 1 - HG2 LYS 24 - HG2 ARG 79 lone 0 39 - 1 - HG2 LYS 24 - HG3 ARG 79 lone 0 36 - 1 - HG3 LYS 47 - HG2 ARG 79 lone 0 33 - 0 - HG3 LYS 47 - HG3 ARG 79 lone 0 31 - 0 - Peak 1350 from cnoeabs.peaks (1.37, 1.53, 26.44 ppm; 3.28 A): 1 out of 15 assignments used, quality = 1.00: * HB3 ARG 30 + HG3 ARG 30 OK 100 100 - 100 - 2.9=100 HB3 ARG 30 - HG2 ARG 79 OK 44 66 - 66 - 1334=7, 1334/1.8=6...(33) HB3 ARG 30 - HG3 ARG 79 OK 41 62 - 66 - 1334=7, 1334/1.8=6...(33) HG3 LYS 94 - HG3 ARG 30 OK 34 92 - 38 - 1323/2.9=6, 1341/1.8=6...(17) HB2 LEU 70 - HG3 ARG 30 OK 21 100 - 21 - 1341/1.8=4, 1323/2.9=3...(9) HG12 ILE 8 - HG3 ARG 30 OK 19 96 - 20 - 1341/1.8=3, 1323/2.9=3...(8) HG3 LYS 40 - HG3 ARG 30 lone 8 87 - 9 - 1341/1.8=1, 1323/2.9=1...(4) HG12 ILE 8 - HG2 ARG 79 lone 2 59 - 4 - HG3 LYS 94 - HG2 ARG 79 lone 2 55 - 4 - HG3 LYS 94 - HG3 ARG 79 lone 2 52 - 4 - HG12 ILE 8 - HG3 ARG 79 lone 2 55 - 4 - HB2 LEU 70 - HG2 ARG 79 lone 1 66 - 2 - HB2 LEU 70 - HG3 ARG 79 lone 1 62 - 2 - HG3 LYS 40 - HG2 ARG 79 lone 1 51 - 2 - HG3 LYS 40 - HG3 ARG 79 lone 1 48 - 2 - Peak 1351 from cnoeabs.peaks (1.29, 1.53, 26.44 ppm; 2.99 A): 1 out of 12 assignments used, quality = 1.00: * HG2 ARG 30 + HG3 ARG 30 OK 100 100 - 100 - 1.8=100 HG2 ARG 30 - HG2 ARG 79 OK 41 66 - 63 - 1343=8, 1343/1.8=6...(38) HG2 ARG 30 - HG3 ARG 79 OK 39 62 - 63 - 1343=8, 1343/1.8=6...(38) HB3 LEU 42 - HG3 ARG 30 OK 34 94 - 36 - 1333/2.9=4, 1324/2.9=4...(18) HG2 LYS 90 - HG3 ARG 30 OK 26 97 - 27 - 1333/2.9=3, 1324/2.9=3...(13) HG LEU 3 - HG3 ARG 30 OK 21 99 - 21 - 1324/2.9=3, 1333/2.9=3...(10) HG LEU 3 - HG2 ARG 79 lone 3 63 - 4 - HG LEU 3 - HG3 ARG 79 lone 2 59 - 4 - HB3 LEU 42 - HG2 ARG 79 lone 2 57 - 3 - HG2 LYS 90 - HG2 ARG 79 lone 1 61 - 2 - HB3 LEU 42 - HG3 ARG 79 lone 1 54 - 3 - HG2 LYS 90 - HG3 ARG 79 lone 1 57 - 2 - Peak 1352 from cnoeabs.peaks (1.53, 1.53, 26.44 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 30 + HG3 ARG 30 OK 100 100 - 100 HG2 ARG 79 + HG2 ARG 79 OK 64 64 - 100 HG3 ARG 79 + HG3 ARG 79 OK 59 59 - 100 Peak 1353 from cnoeabs.peaks (2.67, 1.53, 26.44 ppm; 4.33 A): 3 out of 9 assignments used, quality = 1.00: * HD2 ARG 30 + HG3 ARG 30 OK 100 100 - 100 - 3.0=100 HD2 ARG 30 + HG2 ARG 79 OK 56 66 - 85 - 1361=10, 1.8/1370=9...(41) HD2 ARG 30 + HG3 ARG 79 OK 53 62 - 85 - 1361=10, 1.8/1370=9...(41) HB3 ASN 51 - HG3 ARG 30 OK 41 100 - 41 - 1344/1.8=9, 1326/2.9=7...(10) HD3 ARG 91 - HG3 ARG 30 OK 34 90 - 37 - 1344/1.8=8, 1371/3.0=5...(12) HB3 ASN 51 - HG2 ARG 79 lone 4 66 - 6 - 10634/3.0=1 HB3 ASN 51 - HG3 ARG 79 lone 4 62 - 6 - 10634/3.0=1 HD3 ARG 91 - HG2 ARG 79 lone 2 53 - 4 - HD3 ARG 91 - HG3 ARG 79 lone 2 50 - 3 - Peak 1354 from cnoeabs.peaks (3.08, 1.53, 26.44 ppm; 3.18 A): 6 out of 21 assignments used, quality = 1.00: * HD3 ARG 30 + HG3 ARG 30 OK 100 100 - 100 - 3.0=100 HD3 ARG 79 + HG2 ARG 79 OK 55 55 - 100 - 3.0=100 HD3 ARG 79 + HG3 ARG 79 OK 52 52 - 100 - 3.0=100 HD2 ARG 79 + HG2 ARG 79 OK 51 51 - 100 - 3.0=100 HD2 ARG 79 + HG3 ARG 79 OK 48 48 - 100 - 3.0=100 HD3 ARG 79 + HG3 ARG 30 OK 47 92 - 52 - 1363/3.0=5, 1345/1.8=5...(26) HD2 ARG 79 - HG3 ARG 30 OK 44 87 - 51 - 1363/3.0=5, 1345/1.8=5...(26) HD3 ARG 30 - HG2 ARG 79 OK 37 66 - 56 - 1370=6, 1370/1.8=5...(27) HD3 ARG 30 - HG3 ARG 79 OK 34 62 - 56 - 1370=6, 1370/1.8=5...(27) HB2 PHE 96 - HG3 ARG 30 lone 6 77 - 7 - 3.7/8705=1, 3.7/8705=1 HB2 PHE 96 - HG2 ARG 79 lone 3 44 - 7 - 3.7/8705=2, 3.7/8705=2 HB2 PHE 96 - HG3 ARG 79 lone 3 41 - 7 - 3.7/8705=2, 3.7/8705=2 HB2 TRP 92 - HG3 ARG 30 lone 2 70 - 2 - HB3 ASN 26 - HG2 ARG 79 lone 1 39 - 3 - HB3 ASN 26 - HG3 ARG 79 lone 1 36 - 3 - HB3 ASN 26 - HG3 ARG 30 lone 1 70 - 2 - HB3 HIS 105 - HG3 ARG 30 lone 0 61 - 1 - HB2 TRP 92 - HG2 ARG 79 lone 0 39 - 1 - HB2 TRP 92 - HG3 ARG 79 lone 0 36 - 1 - HB3 HIS 105 - HG2 ARG 79 lone 0 33 - 1 - HB3 HIS 105 - HG3 ARG 79 lone 0 31 - 1 - Peak 1355 from cnoeabs.peaks (8.50, 1.53, 26.44 ppm; 3.92 A): 4 out of 18 assignments used, quality = 0.98: * H THR 31 + HG3 ARG 30 OK 76 100 - 76 - 6492/3.9=31, 6494/2.9=17...(9) H ARG 79 + HG2 ARG 79 OK 58 65 - 90 - 4.7=60, 7290/3.0=13...(21) H ARG 79 + HG3 ARG 79 OK 55 61 - 90 - 4.7=60, 7290/3.0=13...(20) H ARG 79 + HG3 ARG 30 OK 54 100 - 55 - 1328/2.9=8, 7292=7...(17) H THR 31 - HG2 ARG 79 OK 30 66 - 45 - 6498/3.0=6, 3.6/1348=6...(13) H THR 31 - HG3 ARG 79 OK 28 62 - 45 - 6498/3.0=6, 6498/3.0=6...(13) H VAL 32 - HG3 ARG 30 OK 21 73 - 28 - 10513/2.9=6, 1319/3.9=4...(9) H VAL 54 - HG3 ARG 30 OK 20 98 - 21 - 6489/4.9=3, 1328/2.9=2...(9) H VAL 54 - HG2 ARG 79 OK 12 62 - 19 - 4.6/10659=3, 3514/3.0=2...(9) H LEU 2 - HG3 ARG 30 OK 11 84 - 13 - 1328/2.9=2, 1337/2.9=1...(5) H VAL 54 - HG3 ARG 79 OK 11 58 - 19 - 4.6/10659=3, 3514/3.0=2...(10) H ALA 67 - HG3 ARG 30 lone 7 73 - 9 - 1328/2.9=1, 1337/2.9=1 H LEU 2 - HG2 ARG 79 poor 5 49 - 11 - 3514/3.0=2, 3505/3.0=2 H LEU 2 - HG3 ARG 79 poor 5 45 - 10 - 3514/3.0=2, 3505/3.0=2 H VAL 32 - HG2 ARG 79 lone 4 41 - 10 - 4.6/6496=2 H VAL 32 - HG3 ARG 79 lone 4 38 - 10 - 4.6/6496=2 H ALA 67 - HG2 ARG 79 lone 2 41 - 5 - H ALA 67 - HG3 ARG 79 lone 2 38 - 5 - Peak 1356 from cnoeabs.peaks (9.09, 2.67, 42.61 ppm; 6.10 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 30 + HD2 ARG 30 OK 100 100 - 100 - 6.2=97, 3.0/1357=49...(13) H VAL 83 - HD2 ARG 30 OK 27 65 - 41 - 1365/1.8=9, 1338/3.0=8...(8) Peak 1357 from cnoeabs.peaks (4.91, 2.67, 42.61 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.85: * HA ARG 30 + HD2 ARG 30 OK 85 100 - 85 - 5.2=49, 1366/1.8=41...(11) Peak 1358 from cnoeabs.peaks (1.60, 2.67, 42.61 ppm; 4.05 A): 2 out of 13 assignments used, quality = 1.00: * HB2 ARG 30 + HD2 ARG 30 OK 100 100 - 100 - 3.6=100 HB2 ARG 79 + HD2 ARG 30 OK 70 100 - 71 - 1367/1.8=8, 1340/3.0=7...(33) HD3 LYS 94 - HD2 ARG 30 OK 30 99 - 31 - 4246/3.6=8, 3.0/1359=5...(9) HG LEU 27 - HD2 ARG 30 OK 29 99 - 29 - ~10138=5, ~10139=4...(12) HB3 LEU 29 - HD2 ARG 30 OK 26 97 - 27 - 4.3/1356=10, 1367/1.8=3...(9) HG3 LYS 90 - HD2 ARG 30 OK 18 61 - 29 - 1.8/1360=7, ~1369=5...(11) HD2 LYS 66 - HD2 ARG 30 OK 11 100 - 10 - 2930/2.9=2, 1367/1.8=1 HB2 LEU 103 - HD2 ARG 30 poor 7 65 - 11 - 1.8/1361=1 HG2 ARG 19 - HD2 ARG 30 lone 6 65 - 9 - ~825=1, ~807=1 HG3 LYS 12 - HD2 ARG 30 lone 4 94 - 4 - HG3 LYS 73 - HD2 ARG 30 lone 3 99 - 3 - HG3 LYS 47 - HD2 ARG 30 lone 1 61 - 2 - HG2 LYS 24 - HD2 ARG 30 lone 1 70 - 2 - Peak 1359 from cnoeabs.peaks (1.37, 2.67, 42.61 ppm; 4.23 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ARG 30 + HD2 ARG 30 OK 100 100 - 100 - 3.6=100 HG3 LYS 94 - HD2 ARG 30 OK 33 92 - 37 - 1323/3.6=8, 1341/3.0=7...(9) HB2 LEU 70 - HD2 ARG 30 OK 22 100 - 22 - 1341/3.0=5, 1323/3.6=5...(6) HG12 ILE 8 - HD2 ARG 30 OK 20 96 - 20 - 1368/1.8=4, 1341/3.0=4...(7) HG3 LYS 40 - HD2 ARG 30 OK 11 87 - 12 - 1368/1.8=2, 1341/3.0=2...(8) Peak 1360 from cnoeabs.peaks (1.29, 2.67, 42.61 ppm; 3.90 A): 2 out of 4 assignments used, quality = 1.00: * HG2 ARG 30 + HD2 ARG 30 OK 100 100 - 100 - 3.0=100 HB3 LEU 42 + HD2 ARG 30 OK 46 94 - 50 - 1369/1.8=8, 3.1/8722=6...(17) HG2 LYS 90 - HD2 ARG 30 OK 35 97 - 36 - 1369/1.8=6, 1333/3.6=5...(14) HG LEU 3 - HD2 ARG 30 OK 29 99 - 29 - 1369/1.8=5, 1324/3.6=4...(11) Peak 1361 from cnoeabs.peaks (1.53, 2.67, 42.61 ppm; 4.05 A): 4 out of 10 assignments used, quality = 1.00: * HG3 ARG 30 + HD2 ARG 30 OK 100 100 - 100 - 3.0=100 HG2 ARG 79 + HD2 ARG 30 OK 80 99 - 80 - 1370/1.8=8, 1353=8...(40) HG3 ARG 79 + HD2 ARG 30 OK 79 99 - 80 - 1370/1.8=8, 3.0/1363=8...(40) HG LEU 6 + HD2 ARG 30 OK 49 99 - 50 - 2.1/8722=10, ~8723=7...(16) HB2 LEU 14 - HD2 ARG 30 OK 25 96 - 26 - 3.1/8722=3, ~8723=3...(11) HB ILE 7 - HD2 ARG 30 OK 15 96 - 15 - 1334/3.6=2, 1343/3.0=2...(6) HG12 ILE 56 - HD2 ARG 30 OK 13 100 - 13 - 1370/1.8=1, 1334/3.6=1...(5) HB3 LEU 103 - HD2 ARG 30 OK 13 97 - 13 - 1370/1.8=1, 1343/3.0=1 HG LEU 2 - HD2 ARG 30 lone 6 77 - 8 - HG2 LYS 33 - HD2 ARG 30 lone 1 65 - 2 - Peak 1362 from cnoeabs.peaks (2.67, 2.67, 42.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 30 + HD2 ARG 30 OK 100 100 - 100 Peak 1363 from cnoeabs.peaks (3.08, 2.67, 42.61 ppm; 2.94 A): 1 out of 7 assignments used, quality = 1.00: * HD3 ARG 30 + HD2 ARG 30 OK 100 100 - 100 - 1.8=100 HD3 ARG 79 - HD2 ARG 30 OK 33 92 - 36 - 1345/3.0=4, 3.0/1361=3...(15) HD2 ARG 79 - HD2 ARG 30 OK 31 87 - 36 - 1345/3.0=3, 3.0/1361=3...(16) HB2 PHE 96 - HD2 ARG 30 lone 3 77 - 4 - HB2 TRP 92 - HD2 ARG 30 lone 1 70 - 2 - HB3 ASN 26 - HD2 ARG 30 lone 1 70 - 1 - HB3 HIS 105 - HD2 ARG 30 lone 0 61 - 1 - Peak 1364 from cnoeabs.peaks (8.50, 2.67, 42.61 ppm; 5.06 A): 2 out of 6 assignments used, quality = 0.96: * H THR 31 + HD2 ARG 30 OK 88 100 - 88 - 3.6/1357=38, 6497=29...(9) H ARG 79 + HD2 ARG 30 OK 70 100 - 71 - 1373/1.8=13, 1328/3.6=10...(18) H VAL 32 - HD2 ARG 30 OK 30 73 - 41 - 4.6/6497=15, 10513/3.6=9...(8) H VAL 54 - HD2 ARG 30 OK 22 98 - 23 - 1373/1.8=4, 1346/3.0=4...(7) H LEU 2 - HD2 ARG 30 OK 14 84 - 17 - 3.6/8006=3, 1328/3.6=2...(7) H ALA 67 - HD2 ARG 30 poor 10 73 - 13 - 1373/1.8=2, 1328/3.6=2...(5) Peak 1365 from cnoeabs.peaks (9.09, 3.08, 42.61 ppm; 5.52 A): 1 out of 2 assignments used, quality = 0.98: * H ARG 30 + HD3 ARG 30 OK 98 100 - 98 - 6.2=72, 3.0/1366=47...(13) H VAL 83 - HD3 ARG 30 OK 24 65 - 37 - 1356/1.8=7, 1338/3.0=7...(8) Peak 1366 from cnoeabs.peaks (4.91, 3.08, 42.61 ppm; 3.85 A): 1 out of 1 assignment used, quality = 0.78: * HA ARG 30 + HD3 ARG 30 OK 78 100 - 78 - 5.2=40, 1357/1.8=34...(11) Peak 1367 from cnoeabs.peaks (1.60, 3.08, 42.61 ppm; 3.97 A): 2 out of 13 assignments used, quality = 1.00: * HB2 ARG 30 + HD3 ARG 30 OK 100 100 - 100 - 3.6=100 HB2 ARG 79 + HD3 ARG 30 OK 65 100 - 66 - 1358/1.8=8, 3512=8...(27) HD3 LYS 94 - HD3 ARG 30 OK 30 99 - 30 - 4246/3.6=7, 3.0/1368=5...(9) HG LEU 27 - HD3 ARG 30 OK 29 99 - 29 - 2.1/10139=5, 2.1/10138=4...(12) HB3 LEU 29 - HD3 ARG 30 OK 27 97 - 28 - 4.3/1365=11, 1331/3.6=3...(8) HG3 LYS 90 - HD3 ARG 30 OK 17 61 - 28 - 1.8/1369=6, ~1360=4...(11) HD2 LYS 66 - HD3 ARG 30 OK 10 100 - 10 - 2930/2.9=2, 1358/1.8=1 HB2 LEU 103 - HD3 ARG 30 poor 7 65 - 11 - 1.8/1370=1 HG2 ARG 19 - HD3 ARG 30 lone 6 65 - 9 - ~825=1 HG3 LYS 12 - HD3 ARG 30 lone 4 94 - 4 - HG3 LYS 73 - HD3 ARG 30 lone 3 99 - 3 - HG2 LYS 24 - HD3 ARG 30 lone 1 70 - 2 - HG3 LYS 47 - HD3 ARG 30 lone 1 61 - 2 - Peak 1368 from cnoeabs.peaks (1.37, 3.08, 42.61 ppm; 4.29 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ARG 30 + HD3 ARG 30 OK 100 100 - 100 - 3.6=100 HG3 LYS 94 - HD3 ARG 30 OK 34 92 - 38 - 1323/3.6=8, 1341/3.0=8...(10) HB2 LEU 70 - HD3 ARG 30 OK 22 100 - 22 - 1341/3.0=5, 1323/3.6=5...(6) HG12 ILE 8 - HD3 ARG 30 OK 20 96 - 21 - 1359/1.8=4, 1341/3.0=4...(7) HG3 LYS 40 - HD3 ARG 30 poor 10 87 - 11 - 1359/1.8=2, 1341/3.0=2...(6) Peak 1369 from cnoeabs.peaks (1.29, 3.08, 42.61 ppm; 3.96 A): 2 out of 4 assignments used, quality = 1.00: * HG2 ARG 30 + HD3 ARG 30 OK 100 100 - 100 - 3.0=100 HB3 LEU 42 + HD3 ARG 30 OK 47 94 - 50 - 1360/1.8=8, 3.1/8723=6...(16) HG2 LYS 90 - HD3 ARG 30 OK 35 97 - 36 - 1360/1.8=6, 1324/3.6=5...(14) HG LEU 3 - HD3 ARG 30 OK 30 99 - 30 - 1360/1.8=5, 1324/3.6=4...(11) Peak 1370 from cnoeabs.peaks (1.53, 3.08, 42.61 ppm; 3.75 A): 3 out of 10 assignments used, quality = 1.00: * HG3 ARG 30 + HD3 ARG 30 OK 100 100 - 100 - 3.0=100 HG2 ARG 79 + HD3 ARG 30 OK 66 99 - 67 - 1361/1.8=7, 1343/3.0=7...(29) HG3 ARG 79 + HD3 ARG 30 OK 66 99 - 67 - 1361/1.8=7, 1343/3.0=7...(29) HG LEU 6 - HD3 ARG 30 OK 43 99 - 43 - 2.1/8723=8, ~8722=6...(15) HB2 LEU 14 - HD3 ARG 30 OK 20 96 - 21 - 3.1/8723=4, 1361/1.8=2...(9) HB ILE 7 - HD3 ARG 30 OK 12 96 - 13 - 1343/3.0=1, 1334/3.6=1...(6) HG12 ILE 56 - HD3 ARG 30 OK 11 100 - 11 - 1361/1.8=1, 1334/3.6=1...(4) HB3 LEU 103 - HD3 ARG 30 OK 11 97 - 11 - 1361/1.8=1, 1343/3.0=1 HG LEU 2 - HD3 ARG 30 lone 5 77 - 7 - HG2 LYS 33 - HD3 ARG 30 lone 1 65 - 1 - Peak 1371 from cnoeabs.peaks (2.67, 3.08, 42.61 ppm; 2.92 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 30 + HD3 ARG 30 OK 100 100 - 100 - 1.8=100 HB3 ASN 51 - HD3 ARG 30 OK 19 100 - 19 - 1344/3.0=3, 11053/2.9=3...(10) HD3 ARG 91 - HD3 ARG 30 OK 16 90 - 18 - 1344/3.0=3, 11053/2.9=2...(11) Peak 1372 from cnoeabs.peaks (3.08, 3.08, 42.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 30 + HD3 ARG 30 OK 100 100 - 100 Peak 1373 from cnoeabs.peaks (8.50, 3.08, 42.61 ppm; 4.90 A): 2 out of 6 assignments used, quality = 0.96: * H THR 31 + HD3 ARG 30 OK 87 100 - 87 - 3.6/1366=38, 6498=23...(9) H ARG 79 + HD3 ARG 30 OK 70 100 - 70 - 1364/1.8=11, 1328/3.6=10...(19) H VAL 32 - HD3 ARG 30 OK 28 73 - 38 - 4.6/6498=13, 10513/3.6=9...(8) H VAL 54 - HD3 ARG 30 OK 22 98 - 22 - 1364/1.8=4, 1346/3.0=3...(7) H LEU 2 - HD3 ARG 30 OK 12 84 - 14 - 1364/1.8=2, 1328/3.6=2...(5) H ALA 67 - HD3 ARG 30 poor 9 73 - 12 - 1364/1.8=2, 4.7/10507=2...(5) Peak 1375 from cnoeabs.peaks (4.89, 4.89, 60.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 31 + HA THR 31 OK 100 100 - 100 Peak 1376 from cnoeabs.peaks (4.24, 4.89, 60.45 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * HB THR 31 + HA THR 31 OK 100 100 - 100 - 3.0=100 HA SER 49 - HA THR 31 OK 14 99 - 14 - 6506/3.6=3, 1386/3.2=3...(5) HA ASP 87 - HA THR 31 lone 1 70 - 2 - Peak 1377 from cnoeabs.peaks (1.14, 4.89, 60.45 ppm; 3.77 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 31 + HA THR 31 OK 100 100 - 100 - 3.2=100 HB2 LEU 29 - HA THR 31 OK 20 61 - 32 - 6501/3.0=5, ~12050=5...(12) HG3 LYS 82 - HA THR 31 OK 17 100 - 17 - 1382/3.0=3, 6501/3.0=3...(7) HB3 LEU 3 - HA THR 31 OK 17 94 - 18 - 6507/3.6=4, 6501/3.0=4...(6) HG2 LYS 40 - HA THR 31 lone 4 70 - 6 - 6501/3.0=1, 6507/3.6=1 Peak 1378 from cnoeabs.peaks (8.48, 4.89, 60.45 ppm; 2.93 A): 2 out of 6 assignments used, quality = 0.91: H THR 31 + HA THR 31 OK 72 73 - 98 - 3.0=98, 4.6/6505=10...(5) * H VAL 32 + HA THR 31 OK 69 100 - 69 - 3.6=55, 6506/3.0=15...(4) H ALA 67 - HA THR 31 lone 4 100 - 4 - 9519/10165=1 H VAL 54 - HA THR 31 lone 3 92 - 3 - 1388/3.2=1 H LYS 53 - HA THR 31 lone 3 84 - 3 - H ARG 79 - HA THR 31 lone 2 61 - 3 - 1319/4.8=1 Peak 1380 from cnoeabs.peaks (4.89, 4.24, 69.49 ppm; 3.20 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 31 + HB THR 31 OK 100 100 - 100 - 3.0=100 HA ILE 56 - HB THR 31 OK 19 94 - 20 - 1385/2.1=5, 6499/3.9=3...(8) Peak 1381 from cnoeabs.peaks (4.24, 4.24, 69.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 31 + HB THR 31 OK 100 100 - 100 Peak 1382 from cnoeabs.peaks (1.14, 4.24, 69.49 ppm; 2.90 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 31 + HB THR 31 OK 100 100 - 100 - 2.1=100 HG3 LYS 82 - HB THR 31 OK 12 100 - 12 - 1377/3.0=2, ~3675=2...(6) HB2 LEU 29 - HB THR 31 OK 12 61 - 20 - 3.1/8725=5, 3.1/8725=4...(6) HB3 LEU 3 - HB THR 31 lone 9 94 - 10 - 1377/3.0=2, 6501/3.9=2 HG2 LYS 40 - HB THR 31 lone 2 70 - 3 - Peak 1383 from cnoeabs.peaks (8.48, 4.24, 69.49 ppm; 3.21 A): 2 out of 6 assignments used, quality = 0.83: * H VAL 32 + HB THR 31 OK 64 100 - 64 - 4.7=33, 6505/3.0=22...(5) H THR 31 + HB THR 31 OK 52 73 - 71 - 3.9=56, 1378/3.0=13...(4) H VAL 54 - HB THR 31 lone 5 92 - 6 - 1388/2.1=2, 4.0/8725=2 H LYS 53 - HB THR 31 lone 4 84 - 5 - 4.5/10646=1, 4.3/12109=1 H ALA 67 - HB THR 31 lone 3 100 - 3 - H ARG 79 - HB THR 31 lone 1 61 - 2 - Peak 1384 from cnoeabs.peaks (8.50, 1.14, 22.10 ppm; 3.24 A): 2 out of 6 assignments used, quality = 0.86: * H THR 31 + QG2 THR 31 OK 72 100 - 72 - 4.0=54, 6500/2.1=22...(7) H VAL 32 + QG2 THR 31 OK 50 73 - 68 - 4.0=52, 6506/2.1=13...(4) H VAL 54 - QG2 THR 31 lone 9 98 - 9 - 3.9/8734=2, 11065/2.1=2 H LEU 2 - QG2 THR 31 lone 5 84 - 6 - 4.0/8733=1, 4.6/6026=1 H ARG 79 - QG2 THR 31 lone 3 100 - 3 - H ALA 67 - QG2 THR 31 lone 2 73 - 3 - 4.7/10515=1 Peak 1385 from cnoeabs.peaks (4.89, 1.14, 22.10 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 31 + QG2 THR 31 OK 100 100 - 100 - 3.2=100 HA ILE 56 - QG2 THR 31 OK 20 94 - 21 - 1380/2.1=5, 6505/4.0=4...(8) Peak 1386 from cnoeabs.peaks (4.24, 1.14, 22.10 ppm; 2.99 A): 1 out of 3 assignments used, quality = 1.00: * HB THR 31 + QG2 THR 31 OK 100 100 - 100 - 2.1=100 HA SER 49 - QG2 THR 31 OK 11 99 - 10 - 1376/3.2=2, 6506/4.0=2 HA ASP 87 - QG2 THR 31 lone 1 70 - 1 - Peak 1387 from cnoeabs.peaks (1.14, 1.14, 22.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 31 + QG2 THR 31 OK 100 100 - 100 Peak 1388 from cnoeabs.peaks (8.48, 1.14, 22.10 ppm; 3.24 A): 2 out of 6 assignments used, quality = 0.88: * H VAL 32 + QG2 THR 31 OK 75 100 - 75 - 4.0=52, 6506/2.1=23...(5) H THR 31 + QG2 THR 31 OK 51 73 - 70 - 4.0=54, 1383/2.1=13...(5) H VAL 54 - QG2 THR 31 lone 8 92 - 8 - 3.9/8734=2, 4.0/8731=1 H ALA 67 - QG2 THR 31 lone 5 100 - 4 - 4.7/10515=1 H LYS 53 - QG2 THR 31 lone 4 84 - 5 - 4.3/8730=1, 1383/2.1=1 H ARG 79 - QG2 THR 31 lone 1 61 - 2 - Peak 1389 from cnoeabs.peaks (8.48, 4.41, 60.95 ppm; 3.79 A): 1 out of 6 assignments used, quality = 1.00: * H VAL 32 + HA VAL 32 OK 100 100 - 100 - 3.0=100 H ALA 67 - HA VAL 32 OK 37 100 - 37 - 9519/3.2=12, 1395/3.0=7...(10) H THR 31 - HA VAL 32 OK 23 73 - 32 - ~6505=11, ~1378=6...(7) H LYS 53 - HA VAL 32 poor 9 84 - 10 - 4.4/9139=2, 1401/3.2=2...(5) H VAL 54 - HA VAL 32 lone 8 92 - 9 - 6514/3.6=2, 1401/3.2=2...(4) H ARG 79 - HA VAL 32 lone 2 61 - 3 - Peak 1390 from cnoeabs.peaks (4.41, 4.41, 60.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 32 + HA VAL 32 OK 100 100 - 100 Peak 1391 from cnoeabs.peaks (1.94, 4.41, 60.95 ppm; 3.63 A): 1 out of 11 assignments used, quality = 1.00: * HB VAL 32 + HA VAL 32 OK 100 100 - 100 - 3.0=100 HB3 LYS 20 - HA VAL 32 OK 14 98 - 14 - 1403/3.2=3, 1409/3.2=2...(6) HG3 GLU 88 - HA VAL 32 OK 13 100 - 13 - 1403/3.2=2, 1409/3.2=2...(6) HB2 LYS 94 - HA VAL 32 poor 10 65 - 15 - ~10513=3, 1409/3.2=2...(6) HB3 ARG 19 - HA VAL 32 lone 7 90 - 8 - 6509/3.0=2, 1403/3.2=1...(4) HB3 LYS 73 - HA VAL 32 lone 6 73 - 8 - 4.6/7225=2 HB2 GLU 17 - HA VAL 32 lone 6 100 - 6 - 1403/3.2=1 HB2 LYS 73 - HA VAL 32 lone 6 70 - 8 - 4.6/7225=2 HB2 MET 1 - HA VAL 32 lone 5 100 - 5 - 6509/3.0=1 HB3 ARG 46 - HA VAL 32 lone 3 61 - 5 - 3.6/9013=1 HB3 LYS 47 - HA VAL 32 lone 3 73 - 4 - Peak 1392 from cnoeabs.peaks (0.91, 4.41, 60.95 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 32 + HA VAL 32 OK 100 100 - 100 - 3.2=100 HG13 ILE 7 - HA VAL 32 OK 21 81 - 26 - 1398/3.0=5, 6510/3.0=5...(8) Peak 1393 from cnoeabs.peaks (0.83, 4.41, 60.95 ppm; 3.28 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 32 + HA VAL 32 OK 100 100 - 100 - 3.2=100 QD1 LEU 57 - HA VAL 32 OK 23 99 - 23 - 1399/3.0=4, 2.1/10145=3...(10) QD2 LEU 38 - HA VAL 32 OK 20 94 - 21 - 1405/3.2=5, 1399/3.0=3...(7) QD2 LEU 103 - HA VAL 32 OK 17 99 - 17 - 1399/3.0=3, 1405/3.2=3...(7) QD1 LEU 70 - HA VAL 32 lone 5 73 - 7 - 6511/3.0=1 Peak 1394 from cnoeabs.peaks (9.30, 4.41, 60.95 ppm; 2.89 A): 2 out of 2 assignments used, quality = 0.80: * H LYS 33 + HA VAL 32 OK 73 100 - 73 - 3.6=53, 6516/3.0=15...(8) H LEU 6 + HA VAL 32 OK 25 90 - 27 - 1400/3.0=6, 1406/3.2=6...(7) Peak 1395 from cnoeabs.peaks (8.48, 1.94, 34.49 ppm; 3.81 A): 1 out of 6 assignments used, quality = 0.96: * H VAL 32 + HB VAL 32 OK 96 100 - 96 - 3.9=90, 6511/2.1=27...(7) H ALA 67 - HB VAL 32 OK 44 100 - 44 - 9519/2.1=14, 1401/2.1=7...(9) H THR 31 - HB VAL 32 OK 28 73 - 38 - 4.6/6509=13, ~10165=8...(8) H VAL 54 - HB VAL 32 lone 9 92 - 9 - 1401/2.1=2, 6514/4.4=2...(4) H LYS 53 - HB VAL 32 poor 9 84 - 10 - 1401/2.1=2, 1407/2.1=2...(4) H ARG 79 - HB VAL 32 lone 3 61 - 4 - Peak 1396 from cnoeabs.peaks (4.41, 1.94, 34.49 ppm; 3.94 A): 1 out of 9 assignments used, quality = 1.00: * HA VAL 32 + HB VAL 32 OK 100 100 - 100 - 3.0=100 HA ALA 25 - HB VAL 32 OK 18 100 - 18 - 1402/2.1=4, 1408/2.1=4...(7) HA MET 21 - HB VAL 32 OK 16 100 - 16 - 1402/2.1=3, 1408/2.1=3...(6) HA MET 74 - HB VAL 32 OK 13 96 - 14 - 1402/2.1=4, 1408/2.1=3...(7) HA SER 9 - HB VAL 32 OK 10 65 - 16 - 2.9/10153=8, 6508/3.9=2...(4) HA ILE 76 - HB VAL 32 OK 10 70 - 14 - 1402/2.1=2, 4.2/12056=2...(6) HA GLN 50 - HB VAL 32 lone 5 84 - 6 - 6508/3.9=1, 1408/2.1=1 HA HIS 106 - HB VAL 32 lone 5 99 - 5 - 1402/2.1=1 HA GLU 48 - HB VAL 32 lone 5 70 - 7 - 1402/2.1=1, 6515/4.4=1 Peak 1397 from cnoeabs.peaks (1.94, 1.94, 34.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 32 + HB VAL 32 OK 100 100 - 100 Peak 1398 from cnoeabs.peaks (0.91, 1.94, 34.49 ppm; 3.28 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 32 + HB VAL 32 OK 100 100 - 100 - 2.1=100 HG13 ILE 7 - HB VAL 32 OK 23 81 - 29 - 4.5/8270=5, 1410/2.1=5...(8) Peak 1399 from cnoeabs.peaks (0.83, 1.94, 34.49 ppm; 3.41 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 32 + HB VAL 32 OK 100 100 - 100 - 2.1=100 QD1 LEU 57 - HB VAL 32 OK 27 99 - 28 - 2.1/12056=5, 1405/2.1=4...(11) QD2 LEU 38 - HB VAL 32 OK 25 94 - 27 - 1405/2.1=6, 3.1/10158=6...(10) QD2 LEU 103 - HB VAL 32 OK 20 99 - 20 - ~8945=4, 1405/2.1=4...(10) QD1 LEU 70 - HB VAL 32 lone 7 73 - 9 - 3.1/10338=1, 2.1/12056=1 Peak 1400 from cnoeabs.peaks (9.30, 1.94, 34.49 ppm; 3.49 A): 2 out of 2 assignments used, quality = 0.89: * H LYS 33 + HB VAL 32 OK 82 100 - 82 - 4.4=49, 6517/2.1=26...(6) H LEU 6 + HB VAL 32 OK 42 90 - 47 - ~10154=12, 1406/2.1=11...(8) Peak 1401 from cnoeabs.peaks (8.48, 0.91, 23.40 ppm; 4.12 A): 2 out of 6 assignments used, quality = 1.00: * H VAL 32 + QG1 VAL 32 OK 100 100 - 100 - 4.0=100 H ALA 67 + QG1 VAL 32 OK 51 100 - 51 - 9519/2.1=17, 3.0/8934=9...(8) H THR 31 - QG1 VAL 32 OK 31 73 - 42 - 4.6/6510=17, ~10165=10...(8) H LYS 53 - QG1 VAL 32 OK 14 84 - 17 - 4.4/9153=2, 4.5/8946=2...(7) H VAL 54 - QG1 VAL 32 OK 14 92 - 15 - 4.0/8942=2, 6514/4.1=2...(7) H ARG 79 - QG1 VAL 32 lone 3 61 - 4 - Peak 1402 from cnoeabs.peaks (4.41, 0.91, 23.40 ppm; 3.31 A): 1 out of 9 assignments used, quality = 1.00: * HA VAL 32 + QG1 VAL 32 OK 100 100 - 100 - 3.2=100 HA ALA 25 - QG1 VAL 32 OK 17 100 - 17 - 3.0/8936=3, 2.1/10336=3...(6) HA MET 74 - QG1 VAL 32 OK 15 96 - 16 - 1408/2.1=2, 1396/2.1=2...(7) HA MET 21 - QG1 VAL 32 OK 14 100 - 13 - 1408/2.1=2, 1396/2.1=2...(5) HA ILE 76 - QG1 VAL 32 poor 7 70 - 11 - 1396/2.1=1, 1408/2.1=1...(4) HA SER 9 - QG1 VAL 32 poor 7 65 - 10 - ~10153=4, 1396/2.1=1...(4) HA GLU 48 - QG1 VAL 32 lone 5 70 - 8 - 3.6/8936=2 HA GLN 50 - QG1 VAL 32 lone 4 84 - 5 - HA HIS 106 - QG1 VAL 32 lone 4 99 - 4 - Peak 1403 from cnoeabs.peaks (1.94, 0.91, 23.40 ppm; 3.05 A): 1 out of 11 assignments used, quality = 1.00: * HB VAL 32 + QG1 VAL 32 OK 100 100 - 100 - 2.1=100 HB3 LYS 20 - QG1 VAL 32 OK 14 98 - 14 - 1409/2.1=2, 3.0/8944=2...(7) HG3 GLU 88 - QG1 VAL 32 OK 11 100 - 11 - 1409/2.1=2, 3.0/10156=2...(4) HB2 LYS 94 - QG1 VAL 32 poor 8 65 - 12 - 2.9/10336=2, 3.0/8934=2...(5) HB3 ARG 19 - QG1 VAL 32 lone 6 90 - 7 - 3.0/8945=2, 1409/2.1=1 HB2 GLU 17 - QG1 VAL 32 lone 5 100 - 5 - HB3 LYS 73 - QG1 VAL 32 lone 4 73 - 5 - HB2 MET 1 - QG1 VAL 32 lone 4 100 - 4 - HB2 LYS 73 - QG1 VAL 32 lone 4 70 - 5 - HB3 LYS 47 - QG1 VAL 32 lone 3 73 - 3 - HB3 ARG 46 - QG1 VAL 32 lone 1 61 - 2 - Peak 1404 from cnoeabs.peaks (0.91, 0.91, 23.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 32 + QG1 VAL 32 OK 100 100 - 100 Peak 1405 from cnoeabs.peaks (0.83, 0.91, 23.40 ppm; 2.44 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 32 + QG1 VAL 32 OK 100 100 - 100 - 2.1=100 QD2 LEU 38 - QG1 VAL 32 OK 23 94 - 24 - 4.5/8937=6, 2.1/8944=3...(8) QD1 LEU 57 - QG1 VAL 32 OK 13 99 - 14 - 1399/2.1=2, 1393/3.2=2...(6) QD2 LEU 103 - QG1 VAL 32 OK 13 99 - 13 - 2.1/8945=2, 3.1/8945=2...(4) QD1 LEU 70 - QG1 VAL 32 lone 4 73 - 5 - Peak 1406 from cnoeabs.peaks (9.30, 0.91, 23.40 ppm; 3.65 A): 2 out of 2 assignments used, quality = 0.97: * H LYS 33 + QG1 VAL 32 OK 94 100 - 94 - 4.1=71, 6516/2.1=29...(14) H LEU 6 + QG1 VAL 32 OK 51 90 - 57 - ~10154=13, 1400/2.1=12...(15) Peak 1407 from cnoeabs.peaks (8.48, 0.83, 22.02 ppm; 3.36 A): 3 out of 6 assignments used, quality = 0.91: * H VAL 32 + QG2 VAL 32 OK 80 100 - 80 - 4.0=59, 6510/2.1=21...(6) H ALA 67 + QG2 VAL 32 OK 43 100 - 44 - 9519=10, 2.9/9526=8...(11) H THR 31 + QG2 VAL 32 OK 23 73 - 32 - 3.0/10165=11...(6) H LYS 53 - QG2 VAL 32 lone 7 84 - 9 - 1401/2.1=2, 1395/2.1=1 H VAL 54 - QG2 VAL 32 lone 7 92 - 7 - 1401/2.1=2, 6514/4.1=1 H ARG 79 - QG2 VAL 32 lone 3 61 - 5 - Peak 1408 from cnoeabs.peaks (4.41, 0.83, 22.02 ppm; 3.25 A): 1 out of 9 assignments used, quality = 1.00: * HA VAL 32 + QG2 VAL 32 OK 100 100 - 100 - 3.2=100 HA ALA 25 - QG2 VAL 32 OK 13 100 - 13 - 1402/2.1=3, 1396/2.1=2...(6) HA MET 74 - QG2 VAL 32 OK 12 96 - 12 - 1402/2.1=3, 4.0/10161=2...(4) HA MET 21 - QG2 VAL 32 OK 11 100 - 11 - 1402/2.1=2, 1396/2.1=2...(4) HA SER 9 - QG2 VAL 32 lone 6 65 - 9 - ~10153=3, 1396/2.1=1...(4) HA ILE 76 - QG2 VAL 32 lone 6 70 - 9 - 1402/2.1=1, 1396/2.1=1 HA GLN 50 - QG2 VAL 32 lone 4 84 - 5 - HA HIS 106 - QG2 VAL 32 lone 4 99 - 3 - HA GLU 48 - QG2 VAL 32 lone 3 70 - 4 - 1402/2.1=1 Peak 1409 from cnoeabs.peaks (1.94, 0.83, 22.02 ppm; 3.12 A): 1 out of 11 assignments used, quality = 1.00: * HB VAL 32 + QG2 VAL 32 OK 100 100 - 100 - 2.1=100 HB3 LYS 20 - QG2 VAL 32 OK 12 98 - 13 - 1403/2.1=3, 1391/3.2=2 HG3 GLU 88 - QG2 VAL 32 OK 11 100 - 11 - 1403/2.1=2, ~10158=2...(5) HB2 LYS 94 - QG2 VAL 32 poor 9 65 - 13 - 2.9/10335=2, 3.0/10162=2...(6) HB3 ARG 19 - QG2 VAL 32 lone 6 90 - 7 - 1403/2.1=1 HB2 GLU 17 - QG2 VAL 32 lone 5 100 - 5 - 1403/2.1=1 HB3 LYS 73 - QG2 VAL 32 lone 4 73 - 5 - HB2 MET 1 - QG2 VAL 32 lone 4 100 - 4 - HB2 LYS 73 - QG2 VAL 32 lone 4 70 - 5 - HB3 LYS 47 - QG2 VAL 32 lone 2 73 - 3 - HB3 ARG 46 - QG2 VAL 32 lone 2 61 - 3 - Peak 1410 from cnoeabs.peaks (0.91, 0.83, 22.02 ppm; 2.72 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 32 + QG2 VAL 32 OK 100 100 - 100 - 2.1=100 HG13 ILE 7 - QG2 VAL 32 OK 14 81 - 18 - 1398/2.1=4, 1392/3.2=3...(6) Peak 1411 from cnoeabs.peaks (0.83, 0.83, 22.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 32 + QG2 VAL 32 OK 100 100 - 100 Peak 1412 from cnoeabs.peaks (9.30, 0.83, 22.02 ppm; 4.01 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 33 + QG2 VAL 32 OK 99 100 - 99 - 4.1=94, 6517/2.1=33...(12) H LEU 6 + QG2 VAL 32 OK 62 90 - 70 - 2.9/10154=27...(14) Peak 1413 from cnoeabs.peaks (9.30, 4.53, 56.85 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 33 + HA LYS 33 OK 100 100 - 100 - 3.0=100 H LEU 6 - HA LYS 33 OK 26 90 - 29 - 6530/3.6=7, 1446/3.9=4...(10) Peak 1414 from cnoeabs.peaks (4.53, 4.53, 56.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 33 + HA LYS 33 OK 100 100 - 100 Peak 1415 from cnoeabs.peaks (1.92, 4.53, 56.85 ppm; 2.94 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LYS 33 + HA LYS 33 OK 98 100 - 98 - 3.0=94, 2.8/1447=15...(19) HB3 LYS 33 + HA LYS 33 OK 98 100 - 98 - 3.0=94, 2.8/1447=15...(19) HB2 LYS 13 - HA LYS 33 OK 13 100 - 13 - 3.0/1418=3, 1448/3.9=1 HB3 LYS 13 - HA LYS 33 OK 13 100 - 13 - 3.0/1418=3, 1448/3.9=1 HB3 LYS 47 - HA LYS 33 OK 10 97 - 10 - 4.7/10190=4, 4.0/6760=1 HB3 LEU 14 - HA LYS 33 lone 4 77 - 6 - HB2 LYS 94 - HA LYS 33 lone 3 99 - 3 - HB3 ARG 19 - HA LYS 33 lone 2 87 - 2 - HB2 GLU 43 - HA LYS 33 lone 1 90 - 1 - HB3 LYS 20 - HA LYS 33 lone 1 70 - 1 - Peak 1416 from cnoeabs.peaks (1.92, 4.53, 56.85 ppm; 2.94 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LYS 33 + HA LYS 33 OK 98 100 - 98 - 3.0=94, 2.8/1447=15...(19) HB2 LYS 33 + HA LYS 33 OK 98 100 - 98 - 3.0=94, 2.8/1447=15...(19) HB2 LYS 13 - HA LYS 33 OK 13 100 - 13 - 3.0/1418=3, 1448/3.9=1 HB3 LYS 13 - HA LYS 33 OK 13 100 - 13 - 3.0/1418=3, 1448/3.9=1 HB3 LYS 47 - HA LYS 33 poor 10 94 - 10 - 4.7/10190=4, 4.0/6760=1 HB3 LEU 14 - HA LYS 33 lone 5 84 - 6 - HB2 LYS 94 - HA LYS 33 lone 3 97 - 3 - HG LEU 42 - HA LYS 33 lone 3 61 - 5 - 4.3/10601=3 HB2 GLU 43 - HA LYS 33 lone 1 94 - 1 - HB3 ARG 19 - HA LYS 33 lone 1 81 - 2 - HB3 LYS 20 - HA LYS 33 lone 1 61 - 1 - Peak 1417 from cnoeabs.peaks (1.55, 4.53, 56.85 ppm; 3.55 A): 1 out of 9 assignments used, quality = 0.97: * HG2 LYS 33 + HA LYS 33 OK 97 100 - 97 - 3.9=74, 1.8/1458=21...(32) HG12 ILE 56 - HA LYS 33 OK 12 70 - 18 - ~9313=4, 6522/3.0=3...(5) HB2 LEU 3 - HA LYS 33 lone 9 99 - 9 - 6522/3.0=2, 1461/3.9=1...(5) HB3 GLU 28 - HA LYS 33 lone 6 77 - 7 - 6522/3.0=1 HD3 LYS 53 - HA LYS 33 lone 5 99 - 5 - 6522/3.0=1 HG3 ARG 79 - HA LYS 33 lone 5 84 - 6 - 6522/3.0=1, 9686/9682=1 HG2 ARG 79 - HA LYS 33 lone 4 81 - 5 - HG3 ARG 30 - HA LYS 33 lone 1 65 - 2 - HD3 LYS 82 - HA LYS 33 lone 1 65 - 2 - Peak 1418 from cnoeabs.peaks (1.50, 4.53, 56.85 ppm; 3.37 A): 1 out of 14 assignments used, quality = 0.94: * HG3 LYS 33 + HA LYS 33 OK 94 100 - 94 - 3.9=63, 1.8/1447=26...(28) HG3 LYS 13 - HA LYS 33 OK 23 97 - 24 - 1458=5, 1451/3.9=3...(10) HG3 LYS 24 - HA LYS 33 OK 12 99 - 12 - 1458=3, 1457/3.0=2...(6) HG2 LYS 47 - HA LYS 33 poor 9 84 - 10 - 4.9/6760=2, 3.0/1415=1 HG LEU 57 - HA LYS 33 lone 7 100 - 7 - 6523/3.0=2, ~6518=2, 6535/3.6=1 HB ILE 7 - HA LYS 33 lone 6 65 - 9 - 2.9/10519=3, ~6517=2, 6523/3.0=2 HB2 LEU 14 - HA LYS 33 lone 5 65 - 7 - HG LEU 2 - HA LYS 33 lone 3 90 - 3 - HG3 LYS 66 - HA LYS 33 lone 3 90 - 3 - HG2 LYS 73 - HA LYS 33 lone 3 87 - 3 - HG2 LYS 66 - HA LYS 33 lone 3 84 - 3 - HB3 LEU 64 - HA LYS 33 lone 2 81 - 2 - HB3 LEU 103 - HA LYS 33 lone 1 61 - 2 - HB2 ARG 91 - HA LYS 33 lone 1 65 - 2 - Peak 1419 from cnoeabs.peaks (1.72, 4.53, 56.85 ppm; 3.92 A): 2 out of 7 assignments used, quality = 1.00: * HD2 LYS 33 + HA LYS 33 OK 96 100 - 96 - 5.4=39, 3.0/1447=27...(40) HD3 LYS 33 + HA LYS 33 OK 96 100 - 96 - 5.4=39, 3.0/1447=27...(40) HB ILE 15 - HA LYS 33 lone 8 99 - 8 - 1452/3.9=1, 6536/3.6=1 HB3 LEU 70 - HA LYS 33 lone 5 94 - 5 - 6536/3.6=1 HD2 ARG 81 - HA LYS 33 lone 5 100 - 5 - 1452/3.9=1 HB2 GLU 28 - HA LYS 33 lone 5 65 - 7 - 1.8/1417=2 HD2 LYS 90 - HA LYS 33 lone 2 77 - 3 - Peak 1420 from cnoeabs.peaks (1.72, 4.53, 56.85 ppm; 3.92 A): 2 out of 7 assignments used, quality = 1.00: HD2 LYS 33 + HA LYS 33 OK 96 100 - 96 - 5.4=39, 3.0/1447=27...(40) * HD3 LYS 33 + HA LYS 33 OK 96 100 - 96 - 5.4=39, 3.0/1447=27...(40) HB ILE 15 - HA LYS 33 lone 8 99 - 8 - 1452/3.9=1, 6536/3.6=1 HB3 LEU 70 - HA LYS 33 lone 5 94 - 5 - 6536/3.6=1 HD2 ARG 81 - HA LYS 33 lone 5 100 - 5 - 1452/3.9=1 HB2 GLU 28 - HA LYS 33 lone 5 65 - 7 - 1.8/1417=2 HD2 LYS 90 - HA LYS 33 lone 2 77 - 3 - Peak 1421 from cnoeabs.peaks (3.02, 4.53, 56.85 ppm; 4.22 A): 2 out of 3 assignments used, quality = 0.99: HE3 LYS 33 + HA LYS 33 OK 93 100 - 93 - 6.4=28, 3.9/1447=25...(31) * HE2 LYS 33 + HA LYS 33 OK 93 100 - 93 - 6.4=28, 3.9/1447=25...(31) HE2 LYS 12 - HA LYS 33 lone 7 84 - 8 - 1454/3.9=1 Peak 1422 from cnoeabs.peaks (3.02, 4.53, 56.85 ppm; 4.22 A): 2 out of 3 assignments used, quality = 0.99: * HE3 LYS 33 + HA LYS 33 OK 93 100 - 93 - 6.4=28, 3.9/1447=25...(31) HE2 LYS 33 + HA LYS 33 OK 93 100 - 93 - 6.4=28, 3.9/1447=25...(31) HE2 LYS 12 - HA LYS 33 lone 7 84 - 8 - 1454/3.9=1 Peak 1423 from cnoeabs.peaks (7.25, 4.53, 56.85 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * H THR 34 + HA LYS 33 OK 100 100 - 100 - 3.6=100 HH2 TRP 92 - HA LYS 33 OK 25 98 - 25 - 6528/3.0=8, 1456/3.9=4...(8) Peak 1424 from cnoeabs.peaks (9.30, 1.92, 34.35 ppm; 3.26 A): 2 out of 4 assignments used, quality = 0.98: * H LYS 33 + HB2 LYS 33 OK 87 100 - 87 - 4.1=51, 6520/1.8=16...(17) H LYS 33 + HB3 LYS 33 OK 86 99 - 87 - 4.1=51, 6520/1.8=16...(17) H LEU 6 - HB2 LYS 33 OK 21 90 - 24 - 1446/2.8=5, 1413/3.0=5...(10) H LEU 6 - HB3 LYS 33 OK 21 88 - 24 - 1446/2.8=5, 1413/3.0=5...(10) Peak 1425 from cnoeabs.peaks (4.53, 1.92, 34.35 ppm; 3.14 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 33 + HB2 LYS 33 OK 100 100 - 100 - 3.0=100 HA LYS 33 + HB3 LYS 33 OK 99 99 - 100 - 3.0=100 HA PHE 45 - HB2 LYS 33 poor 10 81 - 12 - 1447/2.8=2, 1458/2.8=2 HA PHE 45 - HB3 LYS 33 poor 10 79 - 12 - 1447/2.8=2, 1458/2.8=2 Peak 1426 from cnoeabs.peaks (1.92, 1.92, 34.35 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 33 + HB2 LYS 33 OK 100 100 - 100 HB3 LYS 33 + HB3 LYS 33 OK 99 99 - 100 Peak 1427 from cnoeabs.peaks (1.92, 1.92, 34.35 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 LYS 33 + HB2 LYS 33 OK 100 100 - 100 HB3 LYS 33 + HB3 LYS 33 OK 99 99 - 100 Reference assignment not found: HB3 LYS 33 - HB2 LYS 33 Peak 1428 from cnoeabs.peaks (1.55, 1.92, 34.35 ppm; 3.08 A): 2 out of 18 assignments used, quality = 1.00: * HG2 LYS 33 + HB2 LYS 33 OK 100 100 - 100 - 2.8=100 HG2 LYS 33 + HB3 LYS 33 OK 99 99 - 100 - 2.8=100 HB2 LEU 3 - HB2 LYS 33 lone 10 99 - 10 - 1461/2.8=1, 1417/3.0=1, ~10522=1 HB2 LEU 3 - HB3 LYS 33 lone 9 98 - 10 - 1461/2.8=1, 1417/3.0=1, ~10522=1 HB3 GLU 28 - HB2 LYS 33 lone 6 77 - 8 - HB3 GLU 28 - HB3 LYS 33 lone 6 75 - 8 - HG12 ILE 56 - HB2 LYS 33 lone 6 70 - 8 - 1417/3.0=2, 6522/4.1=2 HG12 ILE 56 - HB3 LYS 33 lone 5 68 - 8 - 1417/3.0=2, 6522/4.1=2 HD3 LYS 53 - HB2 LYS 33 lone 4 99 - 4 - HD3 LYS 53 - HB3 LYS 33 lone 4 98 - 4 - HG3 ARG 79 - HB2 LYS 33 lone 3 84 - 4 - HG3 ARG 79 - HB3 LYS 33 lone 3 82 - 4 - HG2 ARG 79 - HB2 LYS 33 lone 3 81 - 3 - HG2 ARG 79 - HB3 LYS 33 lone 3 79 - 3 - HD3 LYS 82 - HB2 LYS 33 lone 1 65 - 1 - HD3 LYS 82 - HB3 LYS 33 lone 1 64 - 1 - HG3 ARG 30 - HB2 LYS 33 lone 1 65 - 1 - HG3 ARG 30 - HB3 LYS 33 lone 1 64 - 1 - Peak 1429 from cnoeabs.peaks (1.50, 1.92, 34.35 ppm; 3.05 A): 2 out of 28 assignments used, quality = 1.00: * HG3 LYS 33 + HB2 LYS 33 OK 100 100 - 100 - 2.8=100 HG3 LYS 33 + HB3 LYS 33 OK 99 99 - 100 - 2.8=100 HG3 LYS 13 - HB2 LYS 33 OK 26 97 - 27 - 1451/2.8=4, 1418/3.0=3...(12) HG3 LYS 13 - HB3 LYS 33 OK 26 96 - 27 - 1451/2.8=4, 1418/3.0=3...(12) HG3 LYS 24 - HB2 LYS 33 OK 13 99 - 13 - 1451/2.8=2, 1458/3.0=2 HG3 LYS 24 - HB3 LYS 33 OK 13 98 - 13 - 1451/2.8=2, 1458/3.0=2 HG2 LYS 47 - HB2 LYS 33 OK 10 84 - 12 - 1.8/2171=1, 1418/3.0=1 HG2 LYS 47 - HB3 LYS 33 OK 10 82 - 12 - 1.8/2171=1, 1418/3.0=1 HB2 LEU 14 - HB2 LYS 33 poor 7 65 - 10 - HB2 LEU 14 - HB3 LYS 33 poor 7 64 - 10 - HG LEU 57 - HB2 LYS 33 lone 6 100 - 6 - 6523/4.1=1 HG LEU 57 - HB3 LYS 33 lone 6 99 - 6 - 6523/4.1=1 HB ILE 7 - HB2 LYS 33 lone 4 65 - 6 - HB ILE 7 - HB3 LYS 33 lone 4 64 - 6 - HG3 LYS 66 - HB2 LYS 33 lone 3 90 - 3 - HG3 LYS 66 - HB3 LYS 33 lone 3 88 - 3 - HG LEU 2 - HB2 LYS 33 lone 3 90 - 3 - HG LEU 2 - HB3 LYS 33 lone 2 88 - 3 - HG2 LYS 73 - HB2 LYS 33 lone 2 87 - 3 - HG2 LYS 73 - HB3 LYS 33 lone 2 85 - 3 - HG2 LYS 66 - HB2 LYS 33 lone 2 84 - 3 - HG2 LYS 66 - HB3 LYS 33 lone 2 82 - 3 - HB3 LEU 64 - HB2 LYS 33 lone 1 81 - 2 - HB3 LEU 64 - HB3 LYS 33 lone 1 79 - 2 - HB2 ARG 91 - HB2 LYS 33 lone 1 65 - 2 - HB2 ARG 91 - HB3 LYS 33 lone 1 64 - 2 - HB3 LEU 103 - HB2 LYS 33 lone 1 61 - 1 - HB3 LEU 103 - HB3 LYS 33 lone 1 60 - 1 - Peak 1430 from cnoeabs.peaks (1.72, 1.92, 34.35 ppm; 3.33 A): 4 out of 14 assignments used, quality = 1.00: * HD2 LYS 33 + HB2 LYS 33 OK 98 100 - 98 - 3.5=83, 1472/2.8=13...(51) HD3 LYS 33 + HB2 LYS 33 OK 98 100 - 98 - 3.5=83, 1472/2.8=13...(51) HD2 LYS 33 + HB3 LYS 33 OK 98 99 - 98 - 3.5=83, 1472/2.8=13...(51) HD3 LYS 33 + HB3 LYS 33 OK 98 99 - 98 - 3.5=83, 1472/2.8=13...(51) HB ILE 15 - HB3 LYS 33 lone 10 98 - 10 - 1453/2.8=1, 3.0/8458=1, ~8457=1 HB ILE 15 - HB2 LYS 33 lone 10 99 - 10 - 1452/2.8=1, 3.0/8458=1, ~8457=1 HB2 GLU 28 - HB2 LYS 33 lone 4 65 - 7 - HB2 GLU 28 - HB3 LYS 33 lone 4 64 - 6 - HD2 ARG 81 - HB2 LYS 33 lone 4 100 - 4 - 1452/2.8=1 HD2 ARG 81 - HB3 LYS 33 lone 4 99 - 4 - 1452/2.8=1 HB3 LEU 70 - HB2 LYS 33 lone 4 94 - 4 - HB3 LEU 70 - HB3 LYS 33 lone 4 92 - 4 - HD2 LYS 90 - HB2 LYS 33 lone 2 77 - 3 - HD2 LYS 90 - HB3 LYS 33 lone 2 75 - 3 - Peak 1431 from cnoeabs.peaks (1.72, 1.92, 34.35 ppm; 3.33 A): 4 out of 14 assignments used, quality = 1.00: HD2 LYS 33 + HB2 LYS 33 OK 98 100 - 98 - 3.5=83, 1472/2.8=13...(51) * HD3 LYS 33 + HB2 LYS 33 OK 98 100 - 98 - 3.5=83, 1472/2.8=13...(51) HD2 LYS 33 + HB3 LYS 33 OK 98 99 - 98 - 3.5=83, 1472/2.8=13...(51) HD3 LYS 33 + HB3 LYS 33 OK 98 99 - 98 - 3.5=83, 1472/2.8=13...(51) HB ILE 15 - HB3 LYS 33 lone 10 98 - 10 - 1453/2.8=1, 3.0/8458=1, ~8457=1 HB ILE 15 - HB2 LYS 33 lone 10 99 - 10 - 1452/2.8=1, 3.0/8458=1, ~8457=1 HB2 GLU 28 - HB2 LYS 33 lone 4 65 - 7 - HB2 GLU 28 - HB3 LYS 33 lone 4 64 - 6 - HD2 ARG 81 - HB2 LYS 33 lone 4 100 - 4 - 1452/2.8=1 HD2 ARG 81 - HB3 LYS 33 lone 4 99 - 4 - 1452/2.8=1 HB3 LEU 70 - HB2 LYS 33 lone 4 94 - 4 - HB3 LEU 70 - HB3 LYS 33 lone 4 92 - 4 - HD2 LYS 90 - HB2 LYS 33 lone 2 77 - 3 - HD2 LYS 90 - HB3 LYS 33 lone 2 75 - 3 - Peak 1432 from cnoeabs.peaks (3.02, 1.92, 34.35 ppm; 4.47 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 33 + HB2 LYS 33 OK 99 100 - 99 - 4.8=82, 1494/2.8=17...(42) HE3 LYS 33 + HB2 LYS 33 OK 99 100 - 99 - 4.8=82, 1505/2.8=17...(42) HE3 LYS 33 + HB3 LYS 33 OK 99 99 - 99 - 4.8=82, 1505/2.8=17...(42) HE2 LYS 33 + HB3 LYS 33 OK 99 99 - 99 - 4.8=82, 1505/2.8=17...(42) HE2 LYS 12 - HB2 LYS 33 OK 13 84 - 15 - 1455/2.8=2, 1422/3.0=1 HE2 LYS 12 - HB3 LYS 33 OK 13 82 - 15 - 1455/2.8=2, 1422/3.0=1 Peak 1433 from cnoeabs.peaks (3.02, 1.92, 34.35 ppm; 4.47 A): 4 out of 6 assignments used, quality = 1.00: HE2 LYS 33 + HB2 LYS 33 OK 99 100 - 99 - 4.8=82, 1494/2.8=17...(42) * HE3 LYS 33 + HB2 LYS 33 OK 99 100 - 99 - 4.8=82, 1505/2.8=17...(42) HE3 LYS 33 + HB3 LYS 33 OK 99 99 - 99 - 4.8=82, 1505/2.8=17...(42) HE2 LYS 33 + HB3 LYS 33 OK 99 99 - 99 - 4.8=82, 1505/2.8=17...(42) HE2 LYS 12 - HB2 LYS 33 OK 13 84 - 15 - 1455/2.8=2, 1422/3.0=1 HE2 LYS 12 - HB3 LYS 33 OK 13 82 - 15 - 1455/2.8=2, 1422/3.0=1 Peak 1434 from cnoeabs.peaks (7.25, 1.92, 34.35 ppm; 3.77 A): 2 out of 4 assignments used, quality = 0.98: * H THR 34 + HB2 LYS 33 OK 88 100 - 88 - 4.4=62, 6528/4.1=20...(9) H THR 34 + HB3 LYS 33 OK 87 99 - 88 - 4.4=62, 6528/4.1=20...(9) HH2 TRP 92 - HB2 LYS 33 OK 22 98 - 22 - 6528/4.1=5, 1423/3.0=5...(7) HH2 TRP 92 - HB3 LYS 33 OK 21 97 - 22 - 6528/4.1=5, 1423/3.0=5...(7) Peak 1435 from cnoeabs.peaks (9.30, 1.92, 34.35 ppm; 3.26 A): 2 out of 4 assignments used, quality = 0.98: * H LYS 33 + HB3 LYS 33 OK 87 100 - 87 - 4.1=51, 6520/1.8=16...(17) H LYS 33 + HB2 LYS 33 OK 86 99 - 87 - 4.1=51, 6520/1.8=16...(17) H LEU 6 - HB3 LYS 33 OK 21 90 - 24 - 1446/2.8=5, 1413/3.0=5...(10) H LEU 6 - HB2 LYS 33 OK 21 88 - 24 - 1446/2.8=5, 1413/3.0=5...(10) Peak 1436 from cnoeabs.peaks (4.53, 1.92, 34.35 ppm; 3.14 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 33 + HB3 LYS 33 OK 100 100 - 100 - 3.0=100 HA LYS 33 + HB2 LYS 33 OK 99 99 - 100 - 3.0=100 HA PHE 45 - HB3 LYS 33 poor 10 81 - 12 - 1447/2.8=2, 1458/2.8=2 HA PHE 45 - HB2 LYS 33 poor 10 79 - 12 - 1447/2.8=2, 1458/2.8=2 Peak 1437 from cnoeabs.peaks (1.92, 1.92, 34.35 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 33 + HB3 LYS 33 OK 100 100 - 100 HB2 LYS 33 + HB2 LYS 33 OK 99 99 - 100 Reference assignment not found: HB2 LYS 33 - HB3 LYS 33 Peak 1438 from cnoeabs.peaks (1.92, 1.92, 34.35 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 33 + HB3 LYS 33 OK 100 100 - 100 HB2 LYS 33 + HB2 LYS 33 OK 99 99 - 100 Peak 1439 from cnoeabs.peaks (1.55, 1.92, 34.35 ppm; 3.08 A): 2 out of 18 assignments used, quality = 1.00: * HG2 LYS 33 + HB3 LYS 33 OK 100 100 - 100 - 2.8=100 HG2 LYS 33 + HB2 LYS 33 OK 99 99 - 100 - 2.8=100 HB2 LEU 3 - HB3 LYS 33 lone 10 99 - 10 - 1461/2.8=1, 1417/3.0=1, ~10522=1 HB2 LEU 3 - HB2 LYS 33 lone 9 98 - 10 - 1461/2.8=1, 1417/3.0=1, ~10522=1 HB3 GLU 28 - HB3 LYS 33 lone 6 77 - 8 - HB3 GLU 28 - HB2 LYS 33 lone 6 75 - 8 - HG12 ILE 56 - HB3 LYS 33 lone 6 70 - 8 - 1417/3.0=2, 6522/4.1=2 HG12 ILE 56 - HB2 LYS 33 lone 5 68 - 8 - 1417/3.0=2, 6522/4.1=2 HD3 LYS 53 - HB3 LYS 33 lone 4 99 - 4 - HD3 LYS 53 - HB2 LYS 33 lone 4 98 - 4 - HG3 ARG 79 - HB3 LYS 33 lone 3 84 - 4 - HG3 ARG 79 - HB2 LYS 33 lone 3 82 - 4 - HG2 ARG 79 - HB3 LYS 33 lone 3 81 - 3 - HG2 ARG 79 - HB2 LYS 33 lone 3 79 - 3 - HD3 LYS 82 - HB3 LYS 33 lone 1 65 - 1 - HD3 LYS 82 - HB2 LYS 33 lone 1 64 - 1 - HG3 ARG 30 - HB3 LYS 33 lone 1 65 - 1 - HG3 ARG 30 - HB2 LYS 33 lone 1 64 - 1 - Peak 1440 from cnoeabs.peaks (1.50, 1.92, 34.35 ppm; 3.05 A): 2 out of 28 assignments used, quality = 1.00: * HG3 LYS 33 + HB3 LYS 33 OK 100 100 - 100 - 2.8=100 HG3 LYS 33 + HB2 LYS 33 OK 99 99 - 100 - 2.8=100 HG3 LYS 13 - HB3 LYS 33 OK 26 97 - 27 - 1451/2.8=4, 1418/3.0=3...(12) HG3 LYS 13 - HB2 LYS 33 OK 26 96 - 27 - 1451/2.8=4, 1418/3.0=3...(12) HG3 LYS 24 - HB3 LYS 33 OK 13 99 - 13 - 1451/2.8=2, 1458/3.0=2 HG3 LYS 24 - HB2 LYS 33 OK 13 98 - 13 - 1451/2.8=2, 1458/3.0=2 HG2 LYS 47 - HB3 LYS 33 OK 10 84 - 12 - 1418/3.0=1, 1.8/2171=1 HG2 LYS 47 - HB2 LYS 33 OK 10 82 - 12 - 1418/3.0=1, 1.8/2171=1 HB2 LEU 14 - HB3 LYS 33 poor 7 65 - 10 - HB2 LEU 14 - HB2 LYS 33 poor 7 64 - 10 - HG LEU 57 - HB3 LYS 33 lone 6 100 - 6 - 6523/4.1=1 HG LEU 57 - HB2 LYS 33 lone 6 99 - 6 - 6523/4.1=1 HB ILE 7 - HB3 LYS 33 lone 4 65 - 6 - HB ILE 7 - HB2 LYS 33 lone 4 64 - 6 - HG3 LYS 66 - HB3 LYS 33 lone 3 90 - 3 - HG3 LYS 66 - HB2 LYS 33 lone 3 88 - 3 - HG LEU 2 - HB3 LYS 33 lone 3 90 - 3 - HG LEU 2 - HB2 LYS 33 lone 2 88 - 3 - HG2 LYS 73 - HB3 LYS 33 lone 2 87 - 3 - HG2 LYS 73 - HB2 LYS 33 lone 2 85 - 3 - HG2 LYS 66 - HB3 LYS 33 lone 2 84 - 3 - HG2 LYS 66 - HB2 LYS 33 lone 2 82 - 3 - HB3 LEU 64 - HB3 LYS 33 lone 1 81 - 2 - HB3 LEU 64 - HB2 LYS 33 lone 1 79 - 2 - HB2 ARG 91 - HB3 LYS 33 lone 1 65 - 2 - HB2 ARG 91 - HB2 LYS 33 lone 1 64 - 2 - HB3 LEU 103 - HB3 LYS 33 lone 1 61 - 1 - HB3 LEU 103 - HB2 LYS 33 lone 1 60 - 1 - Peak 1441 from cnoeabs.peaks (1.72, 1.92, 34.35 ppm; 3.33 A): 4 out of 14 assignments used, quality = 1.00: * HD2 LYS 33 + HB3 LYS 33 OK 98 100 - 98 - 3.5=83, 1472/2.8=13...(51) HD3 LYS 33 + HB3 LYS 33 OK 98 100 - 98 - 3.5=83, 1472/2.8=13...(51) HD2 LYS 33 + HB2 LYS 33 OK 98 99 - 98 - 3.5=83, 1472/2.8=13...(51) HD3 LYS 33 + HB2 LYS 33 OK 98 99 - 98 - 3.5=83, 1472/2.8=13...(51) HB ILE 15 - HB3 LYS 33 OK 10 99 - 10 - 1452/2.8=1, 3.0/8458=1, ~8457=1 HB ILE 15 - HB2 LYS 33 lone 10 98 - 10 - 1452/2.8=1, 3.0/8458=1, ~8457=1 HB2 GLU 28 - HB3 LYS 33 lone 4 65 - 7 - HB2 GLU 28 - HB2 LYS 33 lone 4 64 - 6 - HD2 ARG 81 - HB3 LYS 33 lone 4 100 - 4 - 1452/2.8=1 HB3 LEU 70 - HB3 LYS 33 lone 4 94 - 4 - HD2 ARG 81 - HB2 LYS 33 lone 4 99 - 4 - 1452/2.8=1 HB3 LEU 70 - HB2 LYS 33 lone 4 92 - 4 - HD2 LYS 90 - HB3 LYS 33 lone 2 77 - 3 - HD2 LYS 90 - HB2 LYS 33 lone 2 75 - 3 - Peak 1442 from cnoeabs.peaks (1.72, 1.92, 34.35 ppm; 3.33 A): 4 out of 14 assignments used, quality = 1.00: HD2 LYS 33 + HB3 LYS 33 OK 98 100 - 98 - 3.5=83, 1472/2.8=13...(51) * HD3 LYS 33 + HB3 LYS 33 OK 98 100 - 98 - 3.5=83, 1472/2.8=13...(51) HD2 LYS 33 + HB2 LYS 33 OK 98 99 - 98 - 3.5=83, 1472/2.8=13...(51) HD3 LYS 33 + HB2 LYS 33 OK 98 99 - 98 - 3.5=83, 1472/2.8=13...(51) HB ILE 15 - HB3 LYS 33 OK 10 99 - 10 - 1452/2.8=1, 3.0/8458=1, ~8457=1 HB ILE 15 - HB2 LYS 33 lone 10 98 - 10 - 1452/2.8=1, 3.0/8458=1, ~8457=1 HB2 GLU 28 - HB3 LYS 33 lone 4 65 - 7 - HB2 GLU 28 - HB2 LYS 33 lone 4 64 - 6 - HD2 ARG 81 - HB3 LYS 33 lone 4 100 - 4 - 1452/2.8=1 HB3 LEU 70 - HB3 LYS 33 lone 4 94 - 4 - HD2 ARG 81 - HB2 LYS 33 lone 4 99 - 4 - 1452/2.8=1 HB3 LEU 70 - HB2 LYS 33 lone 4 92 - 4 - HD2 LYS 90 - HB3 LYS 33 lone 2 77 - 3 - HD2 LYS 90 - HB2 LYS 33 lone 2 75 - 3 - Peak 1443 from cnoeabs.peaks (3.02, 1.92, 34.35 ppm; 4.47 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 33 + HB3 LYS 33 OK 99 100 - 99 - 4.8=82, 1505/2.8=17...(42) HE3 LYS 33 + HB3 LYS 33 OK 99 100 - 99 - 4.8=82, 1505/2.8=17...(42) HE3 LYS 33 + HB2 LYS 33 OK 99 99 - 99 - 4.8=82, 1505/2.8=17...(42) HE2 LYS 33 + HB2 LYS 33 OK 99 99 - 99 - 4.8=82, 1494/2.8=17...(42) HE2 LYS 12 - HB3 LYS 33 OK 13 84 - 15 - 1455/2.8=2, 1421/3.0=1 HE2 LYS 12 - HB2 LYS 33 OK 13 82 - 15 - 1455/2.8=2, 1422/3.0=1 Peak 1444 from cnoeabs.peaks (3.02, 1.92, 34.35 ppm; 4.47 A): 4 out of 6 assignments used, quality = 1.00: HE2 LYS 33 + HB3 LYS 33 OK 99 100 - 99 - 4.8=82, 1505/2.8=17...(42) * HE3 LYS 33 + HB3 LYS 33 OK 99 100 - 99 - 4.8=82, 1505/2.8=17...(42) HE3 LYS 33 + HB2 LYS 33 OK 99 99 - 99 - 4.8=82, 1505/2.8=17...(42) HE2 LYS 33 + HB2 LYS 33 OK 99 99 - 99 - 4.8=82, 1494/2.8=17...(42) HE2 LYS 12 - HB3 LYS 33 OK 13 84 - 15 - 1455/2.8=2, 1421/3.0=1 HE2 LYS 12 - HB2 LYS 33 OK 13 82 - 15 - 1455/2.8=2, 1422/3.0=1 Peak 1445 from cnoeabs.peaks (7.25, 1.92, 34.35 ppm; 3.77 A): 2 out of 4 assignments used, quality = 0.98: * H THR 34 + HB3 LYS 33 OK 88 100 - 88 - 4.4=62, 6528/4.1=20...(9) H THR 34 + HB2 LYS 33 OK 87 99 - 88 - 4.4=62, 6528/4.1=20...(9) HH2 TRP 92 - HB3 LYS 33 OK 22 98 - 22 - 6528/4.1=5, 1423/3.0=5...(7) HH2 TRP 92 - HB2 LYS 33 OK 21 97 - 22 - 6528/4.1=5, 1423/3.0=5...(7) Peak 1446 from cnoeabs.peaks (9.30, 1.55, 24.85 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.97: * H LYS 33 + HG2 LYS 33 OK 97 100 - 97 - 4.9=64, 3.0/1447=31...(19) H LEU 6 - HG2 LYS 33 OK 36 90 - 40 - 1457/1.8=8, 1413/3.9=6...(12) Peak 1447 from cnoeabs.peaks (4.53, 1.55, 24.85 ppm; 3.78 A): 1 out of 2 assignments used, quality = 0.99: * HA LYS 33 + HG2 LYS 33 OK 99 100 - 99 - 3.9=89, 1458/1.8=24...(32) HA PHE 45 - HG2 LYS 33 OK 13 81 - 15 - 1458/1.8=3, 1425/2.8=2...(9) Peak 1448 from cnoeabs.peaks (1.92, 1.55, 24.85 ppm; 3.27 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LYS 33 + HG2 LYS 33 OK 100 100 - 100 - 2.8=100 HB3 LYS 33 + HG2 LYS 33 OK 100 100 - 100 - 2.8=100 HB2 LYS 13 - HG2 LYS 33 OK 25 100 - 25 - 3.0/1451=4, 500/1.8=2...(8) HB3 LYS 13 - HG2 LYS 33 OK 25 100 - 25 - 3.0/1451=4, 511/1.8=2...(9) HB3 LYS 47 - HG2 LYS 33 lone 9 97 - 9 - HB3 LEU 14 - HG2 LYS 33 lone 7 77 - 9 - 1.8/1451=1 HB2 LYS 94 - HG2 LYS 33 lone 3 99 - 3 - HB2 GLU 43 - HG2 LYS 33 lone 1 90 - 2 - HB3 ARG 19 - HG2 LYS 33 lone 1 87 - 2 - HB3 LYS 20 - HG2 LYS 33 lone 1 70 - 1 - Peak 1449 from cnoeabs.peaks (1.92, 1.55, 24.85 ppm; 3.27 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LYS 33 + HG2 LYS 33 OK 100 100 - 100 - 2.8=100 HB2 LYS 33 + HG2 LYS 33 OK 100 100 - 100 - 2.8=100 HB2 LYS 13 - HG2 LYS 33 OK 25 100 - 25 - 3.0/1451=4, 500/1.8=2...(8) HB3 LYS 13 - HG2 LYS 33 OK 25 100 - 25 - 3.0/1451=4, 511/1.8=2...(9) HB3 LYS 47 - HG2 LYS 33 lone 9 94 - 9 - HB3 LEU 14 - HG2 LYS 33 lone 8 84 - 9 - 1.8/1451=1, 8430/3.0=1 HB2 LYS 94 - HG2 LYS 33 lone 3 97 - 3 - HB2 GLU 43 - HG2 LYS 33 lone 2 94 - 2 - HB3 ARG 19 - HG2 LYS 33 lone 1 81 - 2 - HG LEU 42 - HG2 LYS 33 lone 1 61 - 2 - HB3 LYS 20 - HG2 LYS 33 lone 1 61 - 1 - Peak 1450 from cnoeabs.peaks (1.55, 1.55, 24.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 33 + HG2 LYS 33 OK 100 100 - 100 Peak 1451 from cnoeabs.peaks (1.50, 1.55, 24.85 ppm; 2.40 A): 1 out of 14 assignments used, quality = 1.00: * HG3 LYS 33 + HG2 LYS 33 OK 100 100 - 100 - 1.8=100 HG3 LYS 13 - HG2 LYS 33 OK 18 97 - 19 - 1461=5, 3.0/1448=1...(9) HG3 LYS 24 - HG2 LYS 33 lone 10 99 - 10 - 1461=3 HG2 LYS 47 - HG2 LYS 33 lone 4 84 - 5 - HB2 LEU 14 - HG2 LYS 33 lone 4 65 - 5 - HG LEU 57 - HG2 LYS 33 lone 3 100 - 3 - HB ILE 7 - HG2 LYS 33 lone 2 65 - 2 - HG LEU 2 - HG2 LYS 33 lone 2 90 - 2 - HG3 LYS 66 - HG2 LYS 33 lone 1 90 - 2 - HG2 LYS 66 - HG2 LYS 33 lone 1 84 - 1 - HG2 LYS 73 - HG2 LYS 33 lone 1 87 - 1 - HB3 LEU 64 - HG2 LYS 33 lone 1 81 - 1 - HB2 ARG 91 - HG2 LYS 33 lone 1 65 - 1 - HB3 LEU 103 - HG2 LYS 33 lone 0 61 - 1 - Peak 1452 from cnoeabs.peaks (1.72, 1.55, 24.85 ppm; 3.04 A): 2 out of 7 assignments used, quality = 1.00: * HD2 LYS 33 + HG2 LYS 33 OK 100 100 - 100 - 3.0=100 HD3 LYS 33 + HG2 LYS 33 OK 100 100 - 100 - 3.0=100 HB ILE 15 - HG2 LYS 33 lone 10 99 - 10 - 1464/1.8=1, 3.0/8457=1 HD2 ARG 81 - HG2 LYS 33 lone 8 100 - 8 - ~3634=1 HB2 GLU 28 - HG2 LYS 33 lone 5 65 - 7 - HB3 LEU 70 - HG2 LYS 33 lone 4 94 - 4 - HD2 LYS 90 - HG2 LYS 33 lone 3 77 - 4 - Peak 1453 from cnoeabs.peaks (1.72, 1.55, 24.85 ppm; 3.04 A): 2 out of 7 assignments used, quality = 1.00: HD2 LYS 33 + HG2 LYS 33 OK 100 100 - 100 - 3.0=100 * HD3 LYS 33 + HG2 LYS 33 OK 100 100 - 100 - 3.0=100 HB ILE 15 - HG2 LYS 33 lone 10 99 - 10 - 1464/1.8=1, 3.0/8457=1 HD2 ARG 81 - HG2 LYS 33 lone 8 100 - 8 - ~3634=1 HB2 GLU 28 - HG2 LYS 33 lone 5 65 - 7 - HB3 LEU 70 - HG2 LYS 33 lone 4 94 - 4 - HD2 LYS 90 - HG2 LYS 33 lone 3 77 - 4 - Peak 1454 from cnoeabs.peaks (3.02, 1.55, 24.85 ppm; 4.17 A): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 33 + HG2 LYS 33 OK 100 100 - 100 - 3.9=100 * HE2 LYS 33 + HG2 LYS 33 OK 100 100 - 100 - 3.9=100 HE2 LYS 12 - HG2 LYS 33 OK 12 84 - 13 - 1466/1.8=1 Peak 1455 from cnoeabs.peaks (3.02, 1.55, 24.85 ppm; 4.17 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 33 + HG2 LYS 33 OK 100 100 - 100 - 3.9=100 HE2 LYS 33 + HG2 LYS 33 OK 100 100 - 100 - 3.9=100 HE2 LYS 12 - HG2 LYS 33 OK 12 84 - 13 - 1466/1.8=1 Peak 1456 from cnoeabs.peaks (7.25, 1.55, 24.85 ppm; 5.54 A): 1 out of 2 assignments used, quality = 1.00: * H THR 34 + HG2 LYS 33 OK 100 100 - 100 - 4.9=100 HH2 TRP 92 - HG2 LYS 33 OK 42 98 - 43 - 1467/1.8=9, 6528/4.9=8...(9) Peak 1457 from cnoeabs.peaks (9.30, 1.50, 24.85 ppm; 4.16 A): 1 out of 6 assignments used, quality = 0.97: * H LYS 33 + HG3 LYS 33 OK 97 100 - 97 - 4.9=61, 6522/1.8=28...(21) H LEU 6 - HG3 LYS 33 OK 33 90 - 37 - 1446/1.8=10, 1413/3.9=6...(9) H LYS 33 - HG3 LYS 13 OK 19 74 - 26 - 6523=5, 3.0/1418=5...(8) H LYS 33 - HG3 LYS 24 OK 15 90 - 17 - 6523=3, 3.0/1458=3...(7) H LEU 6 - HG3 LYS 24 lone 2 75 - 3 - H LEU 6 - HG3 LYS 13 lone 2 60 - 3 - Peak 1458 from cnoeabs.peaks (4.53, 1.50, 24.85 ppm; 3.80 A): 1 out of 6 assignments used, quality = 0.99: * HA LYS 33 + HG3 LYS 33 OK 99 100 - 99 - 3.9=91, 1447/1.8=33...(28) HA LYS 33 - HG3 LYS 13 OK 21 74 - 29 - 1418=7, 3.9/1451=4...(12) HA PHE 45 - HG3 LYS 33 OK 14 81 - 16 - 1447/1.8=4, 1425/2.8=2...(9) HA LYS 33 - HG3 LYS 24 OK 13 90 - 15 - 1418=3, 3.0/1457=2...(6) HA PHE 45 - HG3 LYS 24 lone 2 66 - 3 - HA PHE 45 - HG3 LYS 13 lone 2 52 - 3 - Peak 1459 from cnoeabs.peaks (1.92, 1.50, 24.85 ppm; 2.68 A): 4 out of 30 assignments used, quality = 1.00: * HB2 LYS 33 + HG3 LYS 33 OK 93 100 - 93 - 2.8=83, 3.0/1458=9...(30) HB3 LYS 33 + HG3 LYS 33 OK 93 100 - 93 - 2.8=83, 3.0/1458=9...(30) HB2 LYS 13 + HG3 LYS 13 OK 61 74 - 83 - 3.0=74, 3.0/486=5...(14) HB3 LYS 13 + HG3 LYS 13 OK 60 73 - 83 - 3.0=74, 3.0/486=5...(14) HB2 LYS 13 - HG3 LYS 33 OK 20 100 - 20 - 1448/1.8=2, 3.0/522=2...(7) HB3 LYS 13 - HG3 LYS 33 OK 20 100 - 20 - 1448/1.8=2, 3.0/522=2...(7) HB3 LYS 47 - HG3 LYS 24 OK 19 84 - 23 - 2148/2.9=2, 2148/2.9=2...(5) HB2 LYS 13 - HG3 LYS 24 OK 16 89 - 18 - 3.0/522=2, 500=1...(4) HB2 LYS 33 - HG3 LYS 13 OK 16 74 - 22 - 2.8/1451=3, 1429=2...(10) HB3 LYS 33 - HG3 LYS 13 OK 16 73 - 22 - 2.8/1451=3, 1440=2...(10) HB3 LYS 13 - HG3 LYS 24 OK 16 88 - 18 - 3.0/522=2, 511=1...(4) HB3 LYS 47 - HG3 LYS 13 OK 16 68 - 24 - 519/1.8=3, 3.0/2172=2...(8) HB2 LYS 33 - HG3 LYS 24 poor 10 90 - 11 - 2.8/1451=2, 1429=1...(4) HB3 LYS 33 - HG3 LYS 24 poor 10 89 - 11 - 2.8/1451=2, 1440=1...(4) HB3 LEU 14 - HG3 LYS 13 poor 9 50 - 18 - 3.8/6192=4, 520/1.8=2...(8) HB3 LYS 47 - HG3 LYS 33 lone 6 97 - 6 - HB3 LEU 14 - HG3 LYS 33 lone 5 77 - 7 - HB3 LEU 14 - HG3 LYS 24 lone 3 63 - 5 - 8420/3.7=1 HB2 LYS 94 - HG3 LYS 13 lone 3 71 - 4 - HB2 LYS 94 - HG3 LYS 24 lone 3 87 - 3 - HB2 LYS 94 - HG3 LYS 33 lone 2 99 - 2 - HB2 GLU 43 - HG3 LYS 33 lone 1 90 - 1 - HB3 ARG 19 - HG3 LYS 24 lone 1 72 - 1 - HB3 ARG 19 - HG3 LYS 33 lone 1 87 - 1 - HB2 GLU 43 - HG3 LYS 13 lone 1 60 - 1 - HB3 ARG 19 - HG3 LYS 13 lone 1 58 - 1 - HB3 LYS 20 - HG3 LYS 33 lone 1 70 - 1 - HB3 LYS 20 - HG3 LYS 24 lone 0 56 - 1 - HB2 GLU 43 - HG3 LYS 24 lone 0 75 - 0 - HB3 LYS 20 - HG3 LYS 13 lone 0 44 - 1 - Peak 1460 from cnoeabs.peaks (1.92, 1.50, 24.85 ppm; 2.68 A): 4 out of 33 assignments used, quality = 1.00: * HB3 LYS 33 + HG3 LYS 33 OK 93 100 - 93 - 2.8=83, 3.0/1458=9...(30) HB2 LYS 33 + HG3 LYS 33 OK 93 100 - 93 - 2.8=83, 3.0/1458=9...(30) HB2 LYS 13 + HG3 LYS 13 OK 61 74 - 83 - 3.0=74, 3.0/486=5...(14) HB3 LYS 13 + HG3 LYS 13 OK 61 74 - 83 - 3.0=74, 3.0/486=5...(14) HB2 LYS 13 - HG3 LYS 33 OK 20 100 - 20 - 1448/1.8=2, 3.0/522=2...(7) HB3 LYS 13 - HG3 LYS 33 OK 20 100 - 20 - 1448/1.8=2, 3.0/522=2...(7) HB3 LYS 47 - HG3 LYS 24 OK 18 80 - 22 - 2148/2.9=2, 2148/2.9=2...(4) HB2 LYS 13 - HG3 LYS 24 OK 16 89 - 18 - 3.0/522=2, 500=1...(4) HB3 LYS 13 - HG3 LYS 24 OK 16 89 - 18 - 3.0/522=2, 511=1...(4) HB3 LYS 33 - HG3 LYS 13 OK 16 74 - 22 - 2.8/1451=3, 1440=2...(10) HB2 LYS 33 - HG3 LYS 13 OK 16 73 - 22 - 2.8/1451=3, 1429=2...(10) HB3 LYS 47 - HG3 LYS 13 OK 15 64 - 24 - 519/1.8=3, 3.0/2172=2...(8) HB3 LEU 14 - HG3 LYS 13 poor 10 55 - 18 - 3.8/6192=4, 520/1.8=2...(8) HB3 LYS 33 - HG3 LYS 24 poor 10 90 - 11 - 2.8/1451=2, 1440=1...(4) HB2 LYS 33 - HG3 LYS 24 poor 10 89 - 11 - 2.8/1451=2, 1429=1...(4) HB3 LYS 47 - HG3 LYS 33 lone 6 94 - 6 - HB3 LEU 14 - HG3 LYS 33 lone 6 84 - 7 - HB3 LEU 14 - HG3 LYS 24 lone 4 69 - 6 - 8420/3.7=1 HB2 LYS 94 - HG3 LYS 13 lone 3 68 - 4 - HB2 LYS 94 - HG3 LYS 24 lone 2 84 - 3 - HB2 LYS 94 - HG3 LYS 33 lone 2 97 - 2 - HG LEU 42 - HG3 LYS 13 lone 1 38 - 4 - HB2 GLU 43 - HG3 LYS 33 lone 1 94 - 1 - HB2 GLU 43 - HG3 LYS 13 lone 1 64 - 2 - HB3 ARG 19 - HG3 LYS 24 lone 1 66 - 1 - HB3 ARG 19 - HG3 LYS 33 lone 1 81 - 1 - HB3 ARG 19 - HG3 LYS 13 lone 1 52 - 1 - HG LEU 42 - HG3 LYS 33 lone 1 61 - 1 - HG LEU 42 - HG3 LYS 24 lone 1 49 - 1 - HB3 LYS 20 - HG3 LYS 33 lone 0 61 - 1 - HB2 GLU 43 - HG3 LYS 24 lone 0 80 - 0 - HB3 LYS 20 - HG3 LYS 24 lone 0 49 - 1 - HB3 LYS 20 - HG3 LYS 13 lone 0 38 - 1 - Peak 1461 from cnoeabs.peaks (1.55, 1.50, 24.85 ppm; 2.40 A): 1 out of 27 assignments used, quality = 1.00: * HG2 LYS 33 + HG3 LYS 33 OK 100 100 - 100 - 1.8=100 HG2 LYS 33 - HG3 LYS 13 OK 15 74 - 20 - 1451=6, 1448/3.0=1...(9) HG2 LYS 33 - HG3 LYS 24 poor 9 90 - 10 - 1451=3 HB2 LEU 3 - HG3 LYS 33 lone 7 99 - 7 - HB3 GLU 28 - HG3 LYS 33 lone 4 77 - 5 - HD3 LYS 53 - HG3 LYS 33 lone 3 99 - 3 - HG12 ILE 56 - HG3 LYS 33 lone 3 70 - 4 - HG3 ARG 79 - HG3 LYS 33 lone 2 84 - 2 - HG2 ARG 79 - HG3 LYS 33 lone 2 81 - 2 - HD3 LYS 53 - HG3 LYS 24 lone 1 88 - 1 - HB2 LEU 3 - HG3 LYS 24 lone 1 87 - 1 - HD3 LYS 82 - HG3 LYS 33 lone 1 65 - 1 - HG3 ARG 30 - HG3 LYS 33 lone 0 65 - 1 - HB2 LEU 3 - HG3 LYS 13 lone 0 71 - 1 - HD3 LYS 53 - HG3 LYS 13 lone 0 72 - 0 - HG3 ARG 79 - HG3 LYS 24 lone 0 69 - 0 - HG2 ARG 79 - HG3 LYS 24 lone 0 66 - 0 - HG12 ILE 56 - HG3 LYS 13 lone 0 44 - 1 - HG3 ARG 30 - HG3 LYS 24 lone 0 53 - 0 - HB3 GLU 28 - HG3 LYS 24 lone 0 63 - 0 - HG12 ILE 56 - HG3 LYS 24 lone 0 56 - 0 - HB3 GLU 28 - HG3 LYS 13 lone 0 50 - 0 - HG3 ARG 79 - HG3 LYS 13 lone 0 55 - 0 - HG2 ARG 79 - HG3 LYS 13 lone 0 52 - 0 - HD3 LYS 82 - HG3 LYS 24 lone 0 53 - 0 - HD3 LYS 82 - HG3 LYS 13 lone 0 41 - 0 - HG3 ARG 30 - HG3 LYS 13 lone 0 41 - 0 - Peak 1462 from cnoeabs.peaks (1.50, 1.50, 24.85 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 33 + HG3 LYS 33 OK 100 100 - 100 HG3 LYS 24 + HG3 LYS 24 OK 88 88 - 100 HG3 LYS 13 + HG3 LYS 13 OK 68 68 - 100 Peak 1463 from cnoeabs.peaks (1.72, 1.50, 24.85 ppm; 2.70 A): 2 out of 21 assignments used, quality = 0.99: HD3 LYS 33 + HG3 LYS 33 OK 92 100 - 92 - 3.0=76, 1472/1.8=13...(32) * HD2 LYS 33 + HG3 LYS 33 OK 92 100 - 92 - 3.0=76, 1472/1.8=13...(32) HD3 LYS 33 - HG3 LYS 13 OK 14 74 - 19 - 1473=3, 3.0/1451=3...(7) HD2 LYS 33 - HG3 LYS 13 OK 14 74 - 19 - 1473=3, 3.0/1451=3...(7) HB ILE 15 - HG3 LYS 13 OK 10 71 - 15 - ~10394=2, 645/4.8=2...(6) HD2 LYS 90 - HG3 LYS 24 OK 10 63 - 16 - 3973/1.8=2, 2.9/1099=2...(7) HD3 LYS 33 - HG3 LYS 24 poor 9 90 - 10 - 1473=2, 3.0/1451=2, 1.8/1484=1 HD2 LYS 33 - HG3 LYS 24 poor 9 90 - 10 - 1473=2, 3.0/1451=2, 1.8/1484=1 HB ILE 15 - HG3 LYS 33 lone 8 99 - 8 - 1452/1.8=1 HD2 ARG 81 - HG3 LYS 33 lone 6 100 - 6 - HB2 GLU 28 - HG3 LYS 33 lone 3 65 - 5 - HB ILE 15 - HG3 LYS 24 lone 3 87 - 4 - HB3 LEU 70 - HG3 LYS 13 lone 3 64 - 4 - HB3 LEU 70 - HG3 LYS 33 lone 3 94 - 3 - HD2 LYS 90 - HG3 LYS 33 lone 2 77 - 3 - HB3 LEU 70 - HG3 LYS 24 lone 1 80 - 2 - HD2 LYS 90 - HG3 LYS 13 lone 1 50 - 3 - HD2 ARG 81 - HG3 LYS 13 lone 0 74 - 0 - HD2 ARG 81 - HG3 LYS 24 lone 0 89 - 0 - HB2 GLU 28 - HG3 LYS 24 lone 0 53 - 0 - HB2 GLU 28 - HG3 LYS 13 lone 0 41 - 0 - Peak 1464 from cnoeabs.peaks (1.72, 1.50, 24.85 ppm; 2.70 A): 2 out of 21 assignments used, quality = 0.99: * HD3 LYS 33 + HG3 LYS 33 OK 92 100 - 92 - 3.0=76, 1472/1.8=13...(32) HD2 LYS 33 + HG3 LYS 33 OK 92 100 - 92 - 3.0=76, 1472/1.8=13...(32) HD3 LYS 33 - HG3 LYS 13 OK 14 74 - 19 - 1473=3, 3.0/1451=3...(7) HD2 LYS 33 - HG3 LYS 13 OK 14 74 - 19 - 1473=3, 3.0/1451=3...(7) HB ILE 15 - HG3 LYS 13 OK 10 71 - 15 - ~10394=2, 645/4.8=2...(6) HD2 LYS 90 - HG3 LYS 24 OK 10 63 - 16 - 3973/1.8=2, 2.9/1099=2...(7) HD3 LYS 33 - HG3 LYS 24 poor 9 90 - 10 - 1473=2, 3.0/1451=2, 1.8/1484=1 HD2 LYS 33 - HG3 LYS 24 poor 9 90 - 10 - 1473=2, 3.0/1451=2, 1.8/1484=1 HB ILE 15 - HG3 LYS 33 lone 8 99 - 8 - 1452/1.8=1 HD2 ARG 81 - HG3 LYS 33 lone 6 100 - 6 - HB2 GLU 28 - HG3 LYS 33 lone 3 65 - 5 - HB ILE 15 - HG3 LYS 24 lone 3 87 - 4 - HB3 LEU 70 - HG3 LYS 13 lone 3 64 - 4 - HB3 LEU 70 - HG3 LYS 33 lone 3 94 - 3 - HD2 LYS 90 - HG3 LYS 33 lone 2 77 - 3 - HB3 LEU 70 - HG3 LYS 24 lone 1 80 - 2 - HD2 LYS 90 - HG3 LYS 13 lone 1 50 - 3 - HD2 ARG 81 - HG3 LYS 13 lone 0 74 - 0 - HD2 ARG 81 - HG3 LYS 24 lone 0 89 - 0 - HB2 GLU 28 - HG3 LYS 24 lone 0 53 - 0 - HB2 GLU 28 - HG3 LYS 13 lone 0 41 - 0 - Peak 1465 from cnoeabs.peaks (3.02, 1.50, 24.85 ppm; 3.90 A): 2 out of 9 assignments used, quality = 1.00: HE3 LYS 33 + HG3 LYS 33 OK 100 100 - 100 - 3.9=96, 1494/1.8=17...(33) * HE2 LYS 33 + HG3 LYS 33 OK 100 100 - 100 - 3.9=96, 1494/1.8=17...(33) HE2 LYS 12 - HG3 LYS 24 OK 29 69 - 42 - 464/1.8=5, 1.8/1103=2...(14) HE2 LYS 12 - HG3 LYS 13 OK 26 55 - 47 - 463/1.8=5, 6171/4.8=5...(21) HE3 LYS 33 - HG3 LYS 13 OK 20 74 - 27 - 3.9/1451=4, 1495=3...(10) HE2 LYS 33 - HG3 LYS 13 OK 20 74 - 27 - 3.9/1451=4, 1495=3...(10) HE3 LYS 33 - HG3 LYS 24 OK 13 90 - 15 - 3.9/1451=2, 1495=2...(5) HE2 LYS 33 - HG3 LYS 24 OK 13 90 - 15 - 3.9/1451=2, 1495=2...(5) HE2 LYS 12 - HG3 LYS 33 lone 9 84 - 10 - 1455/1.8=2 Peak 1466 from cnoeabs.peaks (3.02, 1.50, 24.85 ppm; 3.90 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 33 + HG3 LYS 33 OK 100 100 - 100 - 3.9=96, 1494/1.8=17...(33) HE2 LYS 33 + HG3 LYS 33 OK 100 100 - 100 - 3.9=96, 1494/1.8=17...(33) HE2 LYS 12 - HG3 LYS 24 OK 29 69 - 42 - 464/1.8=5, 1.8/1103=2...(14) HE2 LYS 12 - HG3 LYS 13 OK 26 55 - 47 - 463/1.8=5, 6171/4.8=5...(21) HE3 LYS 33 - HG3 LYS 13 OK 20 74 - 27 - 3.9/1451=4, 1495=3...(10) HE2 LYS 33 - HG3 LYS 13 OK 20 74 - 27 - 3.9/1451=4, 1495=3...(10) HE3 LYS 33 - HG3 LYS 24 OK 13 90 - 15 - 3.9/1451=2, 1495=2...(5) HE2 LYS 33 - HG3 LYS 24 OK 13 90 - 15 - 3.9/1451=2, 1495=2...(5) HE2 LYS 12 - HG3 LYS 33 lone 9 84 - 10 - 1455/1.8=2 Peak 1467 from cnoeabs.peaks (7.25, 1.50, 24.85 ppm; 5.93 A): 2 out of 6 assignments used, quality = 1.00: * H THR 34 + HG3 LYS 33 OK 100 100 - 100 - 4.9=100 HH2 TRP 92 + HG3 LYS 33 OK 47 98 - 48 - 1456/1.8=13, 6528/4.9=9...(8) H THR 34 - HG3 LYS 13 OK 24 74 - 33 - 3.6/1458=7, 4.9/1451=6...(8) H THR 34 - HG3 LYS 24 OK 19 90 - 21 - 3.6/1458=4, 4.6/1457=4...(7) HH2 TRP 92 - HG3 LYS 24 lone 4 85 - 5 - HH2 TRP 92 - HG3 LYS 13 lone 4 70 - 6 - Peak 1468 from cnoeabs.peaks (9.30, 1.72, 28.64 ppm; 4.66 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 33 + HD2 LYS 33 OK 97 100 - 97 - 6.1=44, 1446/3.0=26...(23) H LYS 33 + HD3 LYS 33 OK 97 100 - 97 - 6.1=44, 1446/3.0=26...(23) H LEU 6 - HD2 LYS 33 OK 32 90 - 35 - 1446/3.0=10, 1457/3.0=7...(9) H LEU 6 - HD3 LYS 33 OK 32 90 - 35 - 1446/3.0=10, 1457/3.0=7...(9) Peak 1469 from cnoeabs.peaks (4.53, 1.72, 28.64 ppm; 4.24 A): 2 out of 4 assignments used, quality = 1.00: HA LYS 33 + HD3 LYS 33 OK 98 100 - 98 - 5.4=49, 1447/3.0=31...(40) * HA LYS 33 + HD2 LYS 33 OK 98 100 - 98 - 5.4=49, 1447/3.0=31...(40) HA PHE 45 - HD3 LYS 33 OK 14 81 - 17 - 1447/3.0=4, 1458/3.0=3...(7) HA PHE 45 - HD2 LYS 33 OK 14 81 - 17 - 1447/3.0=4, 1458/3.0=3...(7) Peak 1470 from cnoeabs.peaks (1.92, 1.72, 28.64 ppm; 3.08 A): 4 out of 20 assignments used, quality = 1.00: HB2 LYS 33 + HD3 LYS 33 OK 95 100 - 95 - 3.5=65, 2.8/1483=12...(51) * HB2 LYS 33 + HD2 LYS 33 OK 95 100 - 95 - 3.5=65, 2.8/1472=12...(51) HB3 LYS 33 + HD2 LYS 33 OK 95 100 - 95 - 3.5=65, 2.8/1472=12...(51) HB3 LYS 33 + HD3 LYS 33 OK 95 100 - 95 - 3.5=65, 2.8/1472=12...(51) HB2 LYS 13 - HD2 LYS 33 OK 20 100 - 21 - 1448/3.0=2, 3.0/1484=2...(5) HB2 LYS 13 - HD3 LYS 33 OK 20 100 - 21 - 1448/3.0=2, 3.0/1484=2...(5) HB3 LYS 13 - HD2 LYS 33 OK 20 100 - 21 - 1448/3.0=2, 3.0/1484=2...(5) HB3 LYS 13 - HD3 LYS 33 OK 20 100 - 21 - 1448/3.0=2, 3.0/1484=2...(5) HB3 LEU 14 - HD3 LYS 33 lone 7 77 - 9 - 4.4/6217=1 HB3 LEU 14 - HD2 LYS 33 lone 7 77 - 9 - 4.4/6217=1 HB3 LYS 47 - HD2 LYS 33 lone 5 97 - 5 - HB3 LYS 47 - HD3 LYS 33 lone 5 97 - 5 - HB2 LYS 94 - HD3 LYS 33 lone 1 99 - 1 - HB2 LYS 94 - HD2 LYS 33 lone 1 99 - 1 - HB3 ARG 19 - HD3 LYS 33 lone 1 87 - 1 - HB3 ARG 19 - HD2 LYS 33 lone 1 87 - 1 - HB2 GLU 43 - HD2 LYS 33 lone 1 90 - 1 - HB2 GLU 43 - HD3 LYS 33 lone 1 90 - 1 - HB3 LYS 20 - HD2 LYS 33 lone 0 70 - 1 - HB3 LYS 20 - HD3 LYS 33 lone 0 70 - 1 - Peak 1471 from cnoeabs.peaks (1.92, 1.72, 28.64 ppm; 3.08 A): 4 out of 22 assignments used, quality = 1.00: * HB3 LYS 33 + HD2 LYS 33 OK 95 100 - 95 - 3.5=65, 2.8/1472=12...(51) HB3 LYS 33 + HD3 LYS 33 OK 95 100 - 95 - 3.5=65, 2.8/1472=12...(51) HB2 LYS 33 + HD2 LYS 33 OK 95 100 - 95 - 3.5=65, 2.8/1472=12...(51) HB2 LYS 33 + HD3 LYS 33 OK 95 100 - 95 - 3.5=65, 2.8/1483=12...(51) HB3 LYS 13 - HD2 LYS 33 OK 20 100 - 21 - 1448/3.0=2, 3.0/1484=2...(5) HB3 LYS 13 - HD3 LYS 33 OK 20 100 - 21 - 1448/3.0=2, 3.0/1473=2...(5) HB2 LYS 13 - HD2 LYS 33 OK 20 100 - 21 - 1448/3.0=2, 3.0/1484=2...(5) HB2 LYS 13 - HD3 LYS 33 OK 20 100 - 21 - 1448/3.0=2, 3.0/1484=2...(5) HB3 LEU 14 - HD3 LYS 33 lone 8 84 - 9 - 4.4/6217=1 HB3 LEU 14 - HD2 LYS 33 lone 8 84 - 9 - 4.4/6217=1 HB3 LYS 47 - HD3 LYS 33 lone 5 94 - 5 - HB3 LYS 47 - HD2 LYS 33 lone 5 94 - 5 - HB2 LYS 94 - HD3 LYS 33 lone 1 97 - 1 - HB2 LYS 94 - HD2 LYS 33 lone 1 97 - 1 - HB2 GLU 43 - HD2 LYS 33 lone 1 94 - 1 - HB2 GLU 43 - HD3 LYS 33 lone 1 94 - 1 - HB3 ARG 19 - HD2 LYS 33 lone 1 81 - 1 - HB3 ARG 19 - HD3 LYS 33 lone 1 81 - 1 - HG LEU 42 - HD2 LYS 33 lone 1 61 - 1 - HG LEU 42 - HD3 LYS 33 lone 1 61 - 1 - HB3 LYS 20 - HD2 LYS 33 lone 0 61 - 1 - HB3 LYS 20 - HD3 LYS 33 lone 0 61 - 1 - Peak 1472 from cnoeabs.peaks (1.55, 1.72, 28.64 ppm; 2.66 A): 2 out of 18 assignments used, quality = 0.99: HG2 LYS 33 + HD3 LYS 33 OK 90 100 - 90 - 3.0=73, 1.8/1473=11...(33) * HG2 LYS 33 + HD2 LYS 33 OK 90 100 - 90 - 3.0=73, 1.8/1473=11...(33) HB2 LEU 3 - HD2 LYS 33 lone 7 99 - 7 - 1461/3.0=1 HB2 LEU 3 - HD3 LYS 33 lone 7 99 - 7 - 1461/3.0=1 HB3 GLU 28 - HD3 LYS 33 lone 5 77 - 7 - HB3 GLU 28 - HD2 LYS 33 lone 5 77 - 7 - HD3 LYS 53 - HD3 LYS 33 lone 3 99 - 2 - HD3 LYS 53 - HD2 LYS 33 lone 3 99 - 2 - HG12 ILE 56 - HD2 LYS 33 lone 2 70 - 3 - HG12 ILE 56 - HD3 LYS 33 lone 2 70 - 3 - HG3 ARG 79 - HD3 LYS 33 lone 2 84 - 2 - HG3 ARG 79 - HD2 LYS 33 lone 2 84 - 2 - HG2 ARG 79 - HD3 LYS 33 lone 2 81 - 2 - HG2 ARG 79 - HD2 LYS 33 lone 2 81 - 2 - HD3 LYS 82 - HD2 LYS 33 lone 1 65 - 1 - HD3 LYS 82 - HD3 LYS 33 lone 1 65 - 1 - HG3 ARG 30 - HD2 LYS 33 lone 0 65 - 1 - HG3 ARG 30 - HD3 LYS 33 lone 0 65 - 1 - Peak 1473 from cnoeabs.peaks (1.50, 1.72, 28.64 ppm; 2.61 A): 2 out of 28 assignments used, quality = 0.99: HG3 LYS 33 + HD3 LYS 33 OK 88 100 - 88 - 3.0=68, 1.8/1472=12...(28) * HG3 LYS 33 + HD2 LYS 33 OK 88 100 - 88 - 3.0=68, 1.8/1472=12...(28) HG3 LYS 13 - HD3 LYS 33 OK 17 97 - 18 - 1451/3.0=3, 1464=2...(5) HG3 LYS 13 - HD2 LYS 33 OK 17 97 - 18 - 1451/3.0=3, 1464=2...(5) HG3 LYS 24 - HD2 LYS 33 lone 9 99 - 9 - 1451/3.0=1, 1463=1 HG3 LYS 24 - HD3 LYS 33 lone 9 99 - 9 - 1451/3.0=1, 1463=1 HB2 LEU 14 - HD3 LYS 33 lone 5 65 - 7 - HB2 LEU 14 - HD2 LYS 33 lone 5 65 - 7 - HG2 LYS 47 - HD2 LYS 33 lone 4 84 - 4 - HG2 LYS 47 - HD3 LYS 33 lone 4 84 - 4 - HG LEU 57 - HD2 LYS 33 lone 3 100 - 3 - HG LEU 57 - HD3 LYS 33 lone 3 100 - 3 - HB ILE 7 - HD2 LYS 33 lone 2 65 - 3 - HB ILE 7 - HD3 LYS 33 lone 2 65 - 3 - HG LEU 2 - HD3 LYS 33 lone 2 90 - 2 - HG LEU 2 - HD2 LYS 33 lone 2 90 - 2 - HG3 LYS 66 - HD2 LYS 33 lone 1 90 - 1 - HG3 LYS 66 - HD3 LYS 33 lone 1 90 - 1 - HG2 LYS 66 - HD3 LYS 33 lone 1 84 - 1 - HG2 LYS 66 - HD2 LYS 33 lone 1 84 - 1 - HG2 LYS 73 - HD2 LYS 33 lone 1 87 - 1 - HG2 LYS 73 - HD3 LYS 33 lone 1 87 - 1 - HB3 LEU 64 - HD3 LYS 33 lone 1 81 - 1 - HB3 LEU 64 - HD2 LYS 33 lone 1 81 - 1 - HB2 ARG 91 - HD3 LYS 33 lone 1 65 - 1 - HB2 ARG 91 - HD2 LYS 33 lone 1 65 - 1 - HB3 LEU 103 - HD3 LYS 33 lone 0 61 - 1 - HB3 LEU 103 - HD2 LYS 33 lone 0 61 - 1 - Peak 1474 from cnoeabs.peaks (1.72, 1.72, 28.64 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 33 + HD3 LYS 33 OK 100 100 - 100 * HD2 LYS 33 + HD2 LYS 33 OK 100 100 - 100 Peak 1475 from cnoeabs.peaks (1.72, 1.72, 28.64 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 33 + HD3 LYS 33 OK 100 100 - 100 HD2 LYS 33 + HD2 LYS 33 OK 100 100 - 100 Reference assignment not found: HD3 LYS 33 - HD2 LYS 33 Peak 1476 from cnoeabs.peaks (3.02, 1.72, 28.64 ppm; 3.10 A): 4 out of 6 assignments used, quality = 1.00: HE2 LYS 33 + HD3 LYS 33 OK 100 100 - 100 - 3.0=100 HE3 LYS 33 + HD2 LYS 33 OK 100 100 - 100 - 3.0=100 HE3 LYS 33 + HD3 LYS 33 OK 100 100 - 100 - 3.0=100 * HE2 LYS 33 + HD2 LYS 33 OK 100 100 - 100 - 3.0=100 HE2 LYS 12 - HD2 LYS 33 lone 5 84 - 6 - HE2 LYS 12 - HD3 LYS 33 lone 5 84 - 6 - Peak 1477 from cnoeabs.peaks (3.02, 1.72, 28.64 ppm; 3.10 A): 4 out of 6 assignments used, quality = 1.00: HE2 LYS 33 + HD3 LYS 33 OK 100 100 - 100 - 3.0=100 * HE3 LYS 33 + HD2 LYS 33 OK 100 100 - 100 - 3.0=100 HE3 LYS 33 + HD3 LYS 33 OK 100 100 - 100 - 3.0=100 HE2 LYS 33 + HD2 LYS 33 OK 100 100 - 100 - 3.0=100 HE2 LYS 12 - HD2 LYS 33 lone 5 84 - 6 - HE2 LYS 12 - HD3 LYS 33 lone 5 84 - 6 - Peak 1478 from cnoeabs.peaks (7.25, 1.72, 28.64 ppm; 6.01 A): 4 out of 4 assignments used, quality = 1.00: H THR 34 + HD3 LYS 33 OK 90 100 - 90 - 6534/3.0=31, 6528/6.1=28...(9) * H THR 34 + HD2 LYS 33 OK 90 100 - 90 - 6534/3.0=31, 6528/6.1=28...(9) HH2 TRP 92 + HD3 LYS 33 OK 48 98 - 49 - 1456/3.0=12, 1467/3.0=9...(11) HH2 TRP 92 + HD2 LYS 33 OK 48 98 - 49 - 1456/3.0=12, 1467/3.0=9...(11) Peak 1479 from cnoeabs.peaks (9.30, 1.72, 28.64 ppm; 4.66 A): 2 out of 4 assignments used, quality = 1.00: H LYS 33 + HD2 LYS 33 OK 97 100 - 97 - 6.1=44, 1446/3.0=26...(23) * H LYS 33 + HD3 LYS 33 OK 97 100 - 97 - 6.1=44, 1446/3.0=26...(23) H LEU 6 - HD2 LYS 33 OK 32 90 - 35 - 1446/3.0=10, 1457/3.0=7...(9) H LEU 6 - HD3 LYS 33 OK 32 90 - 35 - 1446/3.0=10, 1457/3.0=7...(9) Peak 1480 from cnoeabs.peaks (4.53, 1.72, 28.64 ppm; 4.24 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 33 + HD3 LYS 33 OK 98 100 - 98 - 5.4=49, 1447/3.0=31...(40) HA LYS 33 + HD2 LYS 33 OK 98 100 - 98 - 5.4=49, 1447/3.0=31...(40) HA PHE 45 - HD3 LYS 33 OK 14 81 - 17 - 1447/3.0=4, 1458/3.0=3...(7) HA PHE 45 - HD2 LYS 33 OK 14 81 - 17 - 1447/3.0=4, 1458/3.0=3...(7) Peak 1481 from cnoeabs.peaks (1.92, 1.72, 28.64 ppm; 3.08 A): 4 out of 20 assignments used, quality = 1.00: * HB2 LYS 33 + HD3 LYS 33 OK 95 100 - 95 - 3.5=65, 2.8/1483=12...(51) HB2 LYS 33 + HD2 LYS 33 OK 95 100 - 95 - 3.5=65, 2.8/1472=12...(51) HB3 LYS 33 + HD2 LYS 33 OK 95 100 - 95 - 3.5=65, 2.8/1472=12...(51) HB3 LYS 33 + HD3 LYS 33 OK 95 100 - 95 - 3.5=65, 2.8/1472=12...(51) HB2 LYS 13 - HD2 LYS 33 OK 20 100 - 21 - 1448/3.0=2, 3.0/1484=2...(5) HB2 LYS 13 - HD3 LYS 33 OK 20 100 - 21 - 1448/3.0=2, 3.0/1484=2...(5) HB3 LYS 13 - HD2 LYS 33 OK 20 100 - 21 - 1448/3.0=2, 3.0/1484=2...(5) HB3 LYS 13 - HD3 LYS 33 OK 20 100 - 21 - 1448/3.0=2, 3.0/1484=2...(5) HB3 LEU 14 - HD3 LYS 33 lone 7 77 - 9 - 4.4/6217=1 HB3 LEU 14 - HD2 LYS 33 lone 7 77 - 9 - 4.4/6217=1 HB3 LYS 47 - HD2 LYS 33 lone 5 97 - 5 - HB3 LYS 47 - HD3 LYS 33 lone 5 97 - 5 - HB2 LYS 94 - HD3 LYS 33 lone 1 99 - 1 - HB2 LYS 94 - HD2 LYS 33 lone 1 99 - 1 - HB3 ARG 19 - HD3 LYS 33 lone 1 87 - 1 - HB3 ARG 19 - HD2 LYS 33 lone 1 87 - 1 - HB2 GLU 43 - HD2 LYS 33 lone 1 90 - 1 - HB2 GLU 43 - HD3 LYS 33 lone 1 90 - 1 - HB3 LYS 20 - HD2 LYS 33 lone 0 70 - 1 - HB3 LYS 20 - HD3 LYS 33 lone 0 70 - 1 - Peak 1482 from cnoeabs.peaks (1.92, 1.72, 28.64 ppm; 3.08 A): 4 out of 22 assignments used, quality = 1.00: HB3 LYS 33 + HD2 LYS 33 OK 95 100 - 95 - 3.5=65, 2.8/1472=12...(51) * HB3 LYS 33 + HD3 LYS 33 OK 95 100 - 95 - 3.5=65, 2.8/1472=12...(51) HB2 LYS 33 + HD2 LYS 33 OK 95 100 - 95 - 3.5=65, 2.8/1472=12...(51) HB2 LYS 33 + HD3 LYS 33 OK 95 100 - 95 - 3.5=65, 2.8/1483=12...(51) HB3 LYS 13 - HD2 LYS 33 OK 20 100 - 21 - 1448/3.0=2, 3.0/1484=2...(5) HB3 LYS 13 - HD3 LYS 33 OK 20 100 - 21 - 1448/3.0=2, 3.0/1473=2...(5) HB2 LYS 13 - HD2 LYS 33 OK 20 100 - 21 - 1448/3.0=2, 3.0/1484=2...(5) HB2 LYS 13 - HD3 LYS 33 OK 20 100 - 21 - 1448/3.0=2, 3.0/1484=2...(5) HB3 LEU 14 - HD3 LYS 33 lone 8 84 - 9 - 4.4/6217=1 HB3 LEU 14 - HD2 LYS 33 lone 8 84 - 9 - 4.4/6217=1 HB3 LYS 47 - HD3 LYS 33 lone 5 94 - 5 - HB3 LYS 47 - HD2 LYS 33 lone 5 94 - 5 - HB2 LYS 94 - HD3 LYS 33 lone 1 97 - 1 - HB2 LYS 94 - HD2 LYS 33 lone 1 97 - 1 - HB2 GLU 43 - HD2 LYS 33 lone 1 94 - 1 - HB2 GLU 43 - HD3 LYS 33 lone 1 94 - 1 - HB3 ARG 19 - HD2 LYS 33 lone 1 81 - 1 - HB3 ARG 19 - HD3 LYS 33 lone 1 81 - 1 - HG LEU 42 - HD2 LYS 33 lone 1 61 - 1 - HG LEU 42 - HD3 LYS 33 lone 1 61 - 1 - HB3 LYS 20 - HD2 LYS 33 lone 0 61 - 1 - HB3 LYS 20 - HD3 LYS 33 lone 0 61 - 1 - Peak 1483 from cnoeabs.peaks (1.55, 1.72, 28.64 ppm; 2.66 A): 2 out of 18 assignments used, quality = 0.99: * HG2 LYS 33 + HD3 LYS 33 OK 90 100 - 90 - 3.0=73, 1.8/1473=11...(33) HG2 LYS 33 + HD2 LYS 33 OK 90 100 - 90 - 3.0=73, 1.8/1473=11...(33) HB2 LEU 3 - HD2 LYS 33 lone 7 99 - 7 - 1461/3.0=1 HB2 LEU 3 - HD3 LYS 33 lone 7 99 - 7 - 1461/3.0=1 HB3 GLU 28 - HD3 LYS 33 lone 5 77 - 7 - HB3 GLU 28 - HD2 LYS 33 lone 5 77 - 7 - HD3 LYS 53 - HD3 LYS 33 lone 3 99 - 2 - HD3 LYS 53 - HD2 LYS 33 lone 3 99 - 2 - HG12 ILE 56 - HD2 LYS 33 lone 2 70 - 3 - HG12 ILE 56 - HD3 LYS 33 lone 2 70 - 3 - HG3 ARG 79 - HD3 LYS 33 lone 2 84 - 2 - HG3 ARG 79 - HD2 LYS 33 lone 2 84 - 2 - HG2 ARG 79 - HD3 LYS 33 lone 2 81 - 2 - HG2 ARG 79 - HD2 LYS 33 lone 2 81 - 2 - HD3 LYS 82 - HD2 LYS 33 lone 1 65 - 1 - HD3 LYS 82 - HD3 LYS 33 lone 1 65 - 1 - HG3 ARG 30 - HD2 LYS 33 lone 0 65 - 1 - HG3 ARG 30 - HD3 LYS 33 lone 0 65 - 1 - Peak 1484 from cnoeabs.peaks (1.50, 1.72, 28.64 ppm; 2.61 A): 2 out of 28 assignments used, quality = 0.99: * HG3 LYS 33 + HD3 LYS 33 OK 88 100 - 88 - 3.0=68, 1.8/1472=12...(28) HG3 LYS 33 + HD2 LYS 33 OK 88 100 - 88 - 3.0=68, 1.8/1472=12...(28) HG3 LYS 13 - HD3 LYS 33 OK 17 97 - 18 - 1451/3.0=3, 1464=2...(5) HG3 LYS 13 - HD2 LYS 33 OK 17 97 - 18 - 1451/3.0=3, 1464=2...(5) HG3 LYS 24 - HD2 LYS 33 lone 9 99 - 9 - 1451/3.0=1, 1463=1 HG3 LYS 24 - HD3 LYS 33 lone 9 99 - 9 - 1451/3.0=1, 1463=1 HB2 LEU 14 - HD3 LYS 33 lone 5 65 - 7 - HB2 LEU 14 - HD2 LYS 33 lone 5 65 - 7 - HG2 LYS 47 - HD2 LYS 33 lone 4 84 - 4 - HG2 LYS 47 - HD3 LYS 33 lone 4 84 - 4 - HG LEU 57 - HD2 LYS 33 lone 3 100 - 3 - HG LEU 57 - HD3 LYS 33 lone 3 100 - 3 - HB ILE 7 - HD2 LYS 33 lone 2 65 - 3 - HB ILE 7 - HD3 LYS 33 lone 2 65 - 3 - HG LEU 2 - HD3 LYS 33 lone 2 90 - 2 - HG LEU 2 - HD2 LYS 33 lone 2 90 - 2 - HG3 LYS 66 - HD2 LYS 33 lone 1 90 - 1 - HG3 LYS 66 - HD3 LYS 33 lone 1 90 - 1 - HG2 LYS 66 - HD3 LYS 33 lone 1 84 - 1 - HG2 LYS 66 - HD2 LYS 33 lone 1 84 - 1 - HG2 LYS 73 - HD2 LYS 33 lone 1 87 - 1 - HG2 LYS 73 - HD3 LYS 33 lone 1 87 - 1 - HB3 LEU 64 - HD3 LYS 33 lone 1 81 - 1 - HB3 LEU 64 - HD2 LYS 33 lone 1 81 - 1 - HB2 ARG 91 - HD3 LYS 33 lone 1 65 - 1 - HB2 ARG 91 - HD2 LYS 33 lone 1 65 - 1 - HB3 LEU 103 - HD3 LYS 33 lone 0 61 - 1 - HB3 LEU 103 - HD2 LYS 33 lone 0 61 - 1 - Peak 1485 from cnoeabs.peaks (1.72, 1.72, 28.64 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 33 + HD3 LYS 33 OK 100 100 - 100 HD2 LYS 33 + HD2 LYS 33 OK 100 100 - 100 Reference assignment not found: HD2 LYS 33 - HD3 LYS 33 Peak 1486 from cnoeabs.peaks (1.72, 1.72, 28.64 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 33 + HD3 LYS 33 OK 100 100 - 100 HD2 LYS 33 + HD2 LYS 33 OK 100 100 - 100 Peak 1487 from cnoeabs.peaks (3.02, 1.72, 28.64 ppm; 3.10 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 33 + HD3 LYS 33 OK 100 100 - 100 - 3.0=100 HE3 LYS 33 + HD2 LYS 33 OK 100 100 - 100 - 3.0=100 HE3 LYS 33 + HD3 LYS 33 OK 100 100 - 100 - 3.0=100 HE2 LYS 33 + HD2 LYS 33 OK 100 100 - 100 - 3.0=100 HE2 LYS 12 - HD2 LYS 33 lone 5 84 - 6 - HE2 LYS 12 - HD3 LYS 33 lone 5 84 - 6 - Peak 1488 from cnoeabs.peaks (3.02, 1.72, 28.64 ppm; 3.10 A): 4 out of 6 assignments used, quality = 1.00: HE2 LYS 33 + HD3 LYS 33 OK 100 100 - 100 - 3.0=100 HE3 LYS 33 + HD2 LYS 33 OK 100 100 - 100 - 3.0=100 * HE3 LYS 33 + HD3 LYS 33 OK 100 100 - 100 - 3.0=100 HE2 LYS 33 + HD2 LYS 33 OK 100 100 - 100 - 3.0=100 HE2 LYS 12 - HD2 LYS 33 lone 5 84 - 6 - HE2 LYS 12 - HD3 LYS 33 lone 5 84 - 6 - Peak 1489 from cnoeabs.peaks (7.25, 1.72, 28.64 ppm; 6.01 A): 4 out of 4 assignments used, quality = 1.00: * H THR 34 + HD3 LYS 33 OK 90 100 - 90 - 6534/3.0=31, 6528/6.1=28...(9) H THR 34 + HD2 LYS 33 OK 90 100 - 90 - 6534/3.0=31, 6528/6.1=28...(9) HH2 TRP 92 + HD3 LYS 33 OK 48 98 - 49 - 1456/3.0=12, 1467/3.0=9...(11) HH2 TRP 92 + HD2 LYS 33 OK 48 98 - 49 - 1456/3.0=12, 1467/3.0=9...(11) Peak 1490 from cnoeabs.peaks (9.30, 3.02, 41.80 ppm; 5.25 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 33 + HE2 LYS 33 OK 95 100 - 95 - 7.5=34, 1446/3.9=26...(17) H LYS 33 + HE3 LYS 33 OK 95 100 - 95 - 7.5=34, 1446/3.9=26...(17) H LEU 6 - HE2 LYS 33 OK 32 90 - 36 - 1446/3.9=10, 1457/3.9=7...(8) H LEU 6 - HE3 LYS 33 OK 32 90 - 36 - 1446/3.9=10, 1457/3.9=7...(8) Peak 1491 from cnoeabs.peaks (4.53, 3.02, 41.80 ppm; 4.79 A): 2 out of 4 assignments used, quality = 1.00: HA LYS 33 + HE3 LYS 33 OK 97 100 - 97 - 6.4=41, 1447/3.9=30...(31) * HA LYS 33 + HE2 LYS 33 OK 97 100 - 97 - 6.4=41, 1447/3.9=30...(31) HA PHE 45 - HE3 LYS 33 OK 14 81 - 17 - 1447/3.9=4, 1458/3.9=3...(7) HA PHE 45 - HE2 LYS 33 OK 14 81 - 17 - 1447/3.9=4, 1458/3.9=3...(7) Peak 1492 from cnoeabs.peaks (1.92, 3.02, 41.80 ppm; 3.89 A): 4 out of 20 assignments used, quality = 1.00: HB2 LYS 33 + HE3 LYS 33 OK 97 100 - 97 - 4.8=54, 2.8/1505=14...(42) * HB2 LYS 33 + HE2 LYS 33 OK 97 100 - 97 - 4.8=54, 2.8/1505=14...(42) HB3 LYS 33 + HE2 LYS 33 OK 97 100 - 97 - 4.8=54, 2.8/1505=14...(42) HB3 LYS 33 + HE3 LYS 33 OK 97 100 - 97 - 4.8=54, 2.8/1505=14...(42) HB2 LYS 13 - HE2 LYS 33 OK 21 100 - 22 - 1448/3.9=2, 3.0/1506=2...(9) HB2 LYS 13 - HE3 LYS 33 OK 21 100 - 22 - 1448/3.9=2, 3.0/1506=2...(9) HB3 LYS 13 - HE2 LYS 33 OK 21 100 - 22 - 1448/3.9=2, 3.0/1506=2...(9) HB3 LYS 13 - HE3 LYS 33 OK 21 100 - 22 - 1448/3.9=2, 3.0/1506=2...(9) HB3 LEU 14 - HE3 LYS 33 lone 6 77 - 8 - 8430/3.0=1, 8430/3.0=1 HB3 LEU 14 - HE2 LYS 33 lone 6 77 - 8 - 8430/3.0=1, 8430/3.0=1 HB3 LYS 47 - HE2 LYS 33 lone 5 97 - 5 - HB3 LYS 47 - HE3 LYS 33 lone 5 97 - 5 - HB2 LYS 94 - HE3 LYS 33 lone 2 99 - 2 - HB2 LYS 94 - HE2 LYS 33 lone 2 99 - 2 - HB3 ARG 19 - HE3 LYS 33 lone 1 87 - 1 - HB3 ARG 19 - HE2 LYS 33 lone 1 87 - 1 - HB2 GLU 43 - HE2 LYS 33 lone 1 90 - 1 - HB2 GLU 43 - HE3 LYS 33 lone 1 90 - 1 - HB3 LYS 20 - HE2 LYS 33 lone 1 70 - 1 - HB3 LYS 20 - HE3 LYS 33 lone 1 70 - 1 - Peak 1493 from cnoeabs.peaks (1.92, 3.02, 41.80 ppm; 3.89 A): 4 out of 22 assignments used, quality = 1.00: * HB3 LYS 33 + HE2 LYS 33 OK 97 100 - 97 - 4.8=54, 2.8/1505=14...(42) HB3 LYS 33 + HE3 LYS 33 OK 97 100 - 97 - 4.8=54, 2.8/1505=14...(42) HB2 LYS 33 + HE2 LYS 33 OK 97 100 - 97 - 4.8=54, 2.8/1505=14...(42) HB2 LYS 33 + HE3 LYS 33 OK 97 100 - 97 - 4.8=54, 2.8/1505=14...(42) HB3 LYS 13 - HE2 LYS 33 OK 21 100 - 22 - 1448/3.9=2, 3.0/1495=2...(9) HB3 LYS 13 - HE3 LYS 33 OK 21 100 - 22 - 1448/3.9=2, 3.0/1495=2...(9) HB2 LYS 13 - HE2 LYS 33 OK 21 100 - 22 - 1448/3.9=2, 3.0/1506=2...(9) HB2 LYS 13 - HE3 LYS 33 OK 21 100 - 22 - 1448/3.9=2, 3.0/1506=2...(9) HB3 LEU 14 - HE3 LYS 33 lone 7 84 - 9 - 8430/3.0=2, 8430/3.0=2 HB3 LEU 14 - HE2 LYS 33 lone 7 84 - 9 - 8430/3.0=2, 8430/3.0=2 HB3 LYS 47 - HE3 LYS 33 lone 5 94 - 5 - HB3 LYS 47 - HE2 LYS 33 lone 5 94 - 5 - HB2 LYS 94 - HE3 LYS 33 lone 2 97 - 2 - HB2 LYS 94 - HE2 LYS 33 lone 2 97 - 2 - HB2 GLU 43 - HE2 LYS 33 lone 1 94 - 1 - HB2 GLU 43 - HE3 LYS 33 lone 1 94 - 1 - HB3 ARG 19 - HE2 LYS 33 lone 1 81 - 1 - HB3 ARG 19 - HE3 LYS 33 lone 1 81 - 1 - HG LEU 42 - HE2 LYS 33 lone 1 61 - 1 - HG LEU 42 - HE3 LYS 33 lone 1 61 - 1 - HB3 LYS 20 - HE2 LYS 33 lone 1 61 - 1 - HB3 LYS 20 - HE3 LYS 33 lone 1 61 - 1 - Peak 1494 from cnoeabs.peaks (1.55, 3.02, 41.80 ppm; 3.47 A): 2 out of 18 assignments used, quality = 1.00: HG2 LYS 33 + HE3 LYS 33 OK 94 100 - 94 - 3.9=68, 1483/3.0=14...(37) * HG2 LYS 33 + HE2 LYS 33 OK 94 100 - 94 - 3.9=68, 1483/3.0=14...(37) HB2 LEU 3 - HE2 LYS 33 lone 7 99 - 7 - 1461/3.9=1, 1483/3.0=1 HB2 LEU 3 - HE3 LYS 33 lone 7 99 - 7 - 1461/3.9=1, 1483/3.0=1 HB3 GLU 28 - HE3 LYS 33 lone 5 77 - 6 - HB3 GLU 28 - HE2 LYS 33 lone 5 77 - 6 - HD3 LYS 53 - HE3 LYS 33 lone 3 99 - 3 - HD3 LYS 53 - HE2 LYS 33 lone 3 99 - 3 - HG12 ILE 56 - HE2 LYS 33 lone 2 70 - 4 - HG12 ILE 56 - HE3 LYS 33 lone 2 70 - 4 - HG3 ARG 79 - HE3 LYS 33 lone 2 84 - 2 - HG3 ARG 79 - HE2 LYS 33 lone 2 84 - 2 - HG2 ARG 79 - HE3 LYS 33 lone 2 81 - 2 - HG2 ARG 79 - HE2 LYS 33 lone 2 81 - 2 - HD3 LYS 82 - HE2 LYS 33 lone 1 65 - 1 - HD3 LYS 82 - HE3 LYS 33 lone 1 65 - 1 - HG3 ARG 30 - HE2 LYS 33 lone 1 65 - 1 - HG3 ARG 30 - HE3 LYS 33 lone 1 65 - 1 - Peak 1495 from cnoeabs.peaks (1.50, 3.02, 41.80 ppm; 3.58 A): 2 out of 28 assignments used, quality = 1.00: HG3 LYS 33 + HE3 LYS 33 OK 96 100 - 96 - 3.9=75, 1.8/1505=15...(33) * HG3 LYS 33 + HE2 LYS 33 OK 96 100 - 96 - 3.9=75, 1.8/1505=15...(33) HG3 LYS 13 - HE3 LYS 33 OK 22 97 - 23 - 1451/3.9=3, 1466=2...(10) HG3 LYS 13 - HE2 LYS 33 OK 22 97 - 23 - 1451/3.9=3, 1465=2...(10) HG3 LYS 24 - HE2 LYS 33 OK 12 99 - 12 - 1451/3.9=2, 1465=2...(5) HG3 LYS 24 - HE3 LYS 33 OK 12 99 - 12 - 1451/3.9=2, 1465=2...(5) HB2 LEU 14 - HE3 LYS 33 lone 5 65 - 8 - ~8430=1 HB2 LEU 14 - HE2 LYS 33 lone 5 65 - 8 - ~8430=1 HG2 LYS 47 - HE2 LYS 33 lone 5 84 - 5 - HG2 LYS 47 - HE3 LYS 33 lone 5 84 - 5 - HG LEU 57 - HE2 LYS 33 lone 3 100 - 3 - HG LEU 57 - HE3 LYS 33 lone 3 100 - 3 - HB ILE 7 - HE2 LYS 33 lone 3 65 - 4 - 8732/8735=1 HB ILE 7 - HE3 LYS 33 lone 3 65 - 4 - 8732/8735=1 HG LEU 2 - HE3 LYS 33 lone 2 90 - 2 - HG LEU 2 - HE2 LYS 33 lone 2 90 - 2 - HG3 LYS 66 - HE3 LYS 33 lone 2 90 - 2 - HG3 LYS 66 - HE2 LYS 33 lone 2 90 - 2 - HG2 LYS 73 - HE3 LYS 33 lone 2 87 - 2 - HG2 LYS 73 - HE2 LYS 33 lone 2 87 - 2 - HG2 LYS 66 - HE2 LYS 33 lone 2 84 - 2 - HG2 LYS 66 - HE3 LYS 33 lone 2 84 - 2 - HB3 LEU 64 - HE2 LYS 33 lone 1 81 - 1 - HB3 LEU 64 - HE3 LYS 33 lone 1 81 - 1 - HB3 LEU 103 - HE2 LYS 33 lone 1 61 - 1 - HB3 LEU 103 - HE3 LYS 33 lone 1 61 - 1 - HB2 ARG 91 - HE2 LYS 33 lone 1 65 - 1 - HB2 ARG 91 - HE3 LYS 33 lone 1 65 - 1 - Peak 1496 from cnoeabs.peaks (1.72, 3.02, 41.80 ppm; 2.76 A): 4 out of 14 assignments used, quality = 1.00: HD2 LYS 33 + HE3 LYS 33 OK 89 100 - 89 - 3.0=82, 3.0/1494=7...(19) * HD2 LYS 33 + HE2 LYS 33 OK 89 100 - 89 - 3.0=82, 3.0/1494=7...(19) HD3 LYS 33 + HE3 LYS 33 OK 89 100 - 89 - 3.0=82, 3.0/1494=7...(19) HD3 LYS 33 + HE2 LYS 33 OK 89 100 - 89 - 3.0=82, 3.0/1494=7...(19) HB ILE 15 - HE3 LYS 33 lone 7 99 - 7 - 3.0/8451=2, ~8451=1 HB ILE 15 - HE2 LYS 33 lone 7 99 - 7 - 3.0/8451=2, ~8451=1 HD2 ARG 81 - HE3 LYS 33 lone 5 100 - 5 - HD2 ARG 81 - HE2 LYS 33 lone 5 100 - 5 - HB2 GLU 28 - HE2 LYS 33 lone 2 65 - 3 - HB2 GLU 28 - HE3 LYS 33 lone 2 65 - 3 - HD2 LYS 90 - HE3 LYS 33 lone 2 77 - 2 - HD2 LYS 90 - HE2 LYS 33 lone 2 77 - 2 - HB3 LEU 70 - HE2 LYS 33 lone 1 94 - 1 - HB3 LEU 70 - HE3 LYS 33 lone 1 94 - 1 - Peak 1497 from cnoeabs.peaks (1.72, 3.02, 41.80 ppm; 2.76 A): 4 out of 14 assignments used, quality = 1.00: HD2 LYS 33 + HE3 LYS 33 OK 89 100 - 89 - 3.0=82, 3.0/1494=7...(19) HD2 LYS 33 + HE2 LYS 33 OK 89 100 - 89 - 3.0=82, 3.0/1494=7...(19) HD3 LYS 33 + HE3 LYS 33 OK 89 100 - 89 - 3.0=82, 3.0/1494=7...(19) * HD3 LYS 33 + HE2 LYS 33 OK 89 100 - 89 - 3.0=82, 3.0/1494=7...(19) HB ILE 15 - HE3 LYS 33 lone 7 99 - 7 - 3.0/8451=2, ~8451=1 HB ILE 15 - HE2 LYS 33 lone 7 99 - 7 - 3.0/8451=2, ~8451=1 HD2 ARG 81 - HE3 LYS 33 lone 5 100 - 5 - HD2 ARG 81 - HE2 LYS 33 lone 5 100 - 5 - HB2 GLU 28 - HE2 LYS 33 lone 2 65 - 3 - HB2 GLU 28 - HE3 LYS 33 lone 2 65 - 3 - HD2 LYS 90 - HE3 LYS 33 lone 2 77 - 2 - HD2 LYS 90 - HE2 LYS 33 lone 2 77 - 2 - HB3 LEU 70 - HE2 LYS 33 lone 1 94 - 1 - HB3 LEU 70 - HE3 LYS 33 lone 1 94 - 1 - Peak 1498 from cnoeabs.peaks (3.02, 3.02, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 33 + HE3 LYS 33 OK 100 100 - 100 * HE2 LYS 33 + HE2 LYS 33 OK 100 100 - 100 Peak 1499 from cnoeabs.peaks (3.02, 3.02, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 33 + HE3 LYS 33 OK 100 100 - 100 HE2 LYS 33 + HE2 LYS 33 OK 100 100 - 100 Reference assignment not found: HE3 LYS 33 - HE2 LYS 33 Peak 1501 from cnoeabs.peaks (9.30, 3.02, 41.80 ppm; 5.25 A): 2 out of 4 assignments used, quality = 1.00: H LYS 33 + HE2 LYS 33 OK 95 100 - 95 - 7.5=34, 1446/3.9=26...(17) * H LYS 33 + HE3 LYS 33 OK 95 100 - 95 - 7.5=34, 1446/3.9=26...(17) H LEU 6 - HE2 LYS 33 OK 32 90 - 36 - 1446/3.9=10, 1457/3.9=7...(8) H LEU 6 - HE3 LYS 33 OK 32 90 - 36 - 1446/3.9=10, 1457/3.9=7...(8) Peak 1502 from cnoeabs.peaks (4.53, 3.02, 41.80 ppm; 4.79 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 33 + HE3 LYS 33 OK 97 100 - 97 - 6.4=41, 1447/3.9=30...(31) HA LYS 33 + HE2 LYS 33 OK 97 100 - 97 - 6.4=41, 1447/3.9=30...(31) HA PHE 45 - HE3 LYS 33 OK 14 81 - 17 - 1447/3.9=4, 1458/3.9=3...(7) HA PHE 45 - HE2 LYS 33 OK 14 81 - 17 - 1447/3.9=4, 1458/3.9=3...(7) Peak 1503 from cnoeabs.peaks (1.92, 3.02, 41.80 ppm; 3.89 A): 4 out of 20 assignments used, quality = 1.00: * HB2 LYS 33 + HE3 LYS 33 OK 97 100 - 97 - 4.8=54, 2.8/1505=14...(42) HB2 LYS 33 + HE2 LYS 33 OK 97 100 - 97 - 4.8=54, 2.8/1505=14...(42) HB3 LYS 33 + HE2 LYS 33 OK 97 100 - 97 - 4.8=54, 2.8/1505=14...(42) HB3 LYS 33 + HE3 LYS 33 OK 97 100 - 97 - 4.8=54, 2.8/1505=14...(42) HB2 LYS 13 - HE2 LYS 33 OK 21 100 - 22 - 1448/3.9=2, 3.0/1506=2...(9) HB2 LYS 13 - HE3 LYS 33 OK 21 100 - 22 - 1448/3.9=2, 3.0/1506=2...(9) HB3 LYS 13 - HE2 LYS 33 OK 21 100 - 22 - 1448/3.9=2, 3.0/1506=2...(9) HB3 LYS 13 - HE3 LYS 33 OK 21 100 - 22 - 1448/3.9=2, 3.0/1506=2...(9) HB3 LEU 14 - HE3 LYS 33 lone 6 77 - 8 - 8430/3.0=1, 8430/3.0=1 HB3 LEU 14 - HE2 LYS 33 lone 6 77 - 8 - 8430/3.0=1, 8430/3.0=1 HB3 LYS 47 - HE2 LYS 33 lone 5 97 - 5 - HB3 LYS 47 - HE3 LYS 33 lone 5 97 - 5 - HB2 LYS 94 - HE3 LYS 33 lone 2 99 - 2 - HB2 LYS 94 - HE2 LYS 33 lone 2 99 - 2 - HB3 ARG 19 - HE3 LYS 33 lone 1 87 - 1 - HB3 ARG 19 - HE2 LYS 33 lone 1 87 - 1 - HB2 GLU 43 - HE2 LYS 33 lone 1 90 - 1 - HB2 GLU 43 - HE3 LYS 33 lone 1 90 - 1 - HB3 LYS 20 - HE2 LYS 33 lone 1 70 - 1 - HB3 LYS 20 - HE3 LYS 33 lone 1 70 - 1 - Peak 1504 from cnoeabs.peaks (1.92, 3.02, 41.80 ppm; 3.89 A): 4 out of 22 assignments used, quality = 1.00: HB3 LYS 33 + HE2 LYS 33 OK 97 100 - 97 - 4.8=54, 2.8/1505=14...(42) * HB3 LYS 33 + HE3 LYS 33 OK 97 100 - 97 - 4.8=54, 2.8/1505=14...(42) HB2 LYS 33 + HE2 LYS 33 OK 97 100 - 97 - 4.8=54, 2.8/1505=14...(42) HB2 LYS 33 + HE3 LYS 33 OK 97 100 - 97 - 4.8=54, 2.8/1505=14...(42) HB3 LYS 13 - HE2 LYS 33 OK 21 100 - 22 - 1448/3.9=2, 3.0/1495=2...(9) HB3 LYS 13 - HE3 LYS 33 OK 21 100 - 22 - 1448/3.9=2, 3.0/1495=2...(9) HB2 LYS 13 - HE2 LYS 33 OK 21 100 - 22 - 1448/3.9=2, 3.0/1506=2...(9) HB2 LYS 13 - HE3 LYS 33 OK 21 100 - 22 - 1448/3.9=2, 3.0/1506=2...(9) HB3 LEU 14 - HE3 LYS 33 lone 7 84 - 9 - 8430/3.0=2, 8430/3.0=2 HB3 LEU 14 - HE2 LYS 33 lone 7 84 - 9 - 8430/3.0=2, 8430/3.0=2 HB3 LYS 47 - HE3 LYS 33 lone 5 94 - 5 - HB3 LYS 47 - HE2 LYS 33 lone 5 94 - 5 - HB2 LYS 94 - HE3 LYS 33 lone 2 97 - 2 - HB2 LYS 94 - HE2 LYS 33 lone 2 97 - 2 - HB2 GLU 43 - HE2 LYS 33 lone 1 94 - 1 - HB2 GLU 43 - HE3 LYS 33 lone 1 94 - 1 - HB3 ARG 19 - HE2 LYS 33 lone 1 81 - 1 - HB3 ARG 19 - HE3 LYS 33 lone 1 81 - 1 - HG LEU 42 - HE2 LYS 33 lone 1 61 - 1 - HG LEU 42 - HE3 LYS 33 lone 1 61 - 1 - HB3 LYS 20 - HE2 LYS 33 lone 1 61 - 1 - HB3 LYS 20 - HE3 LYS 33 lone 1 61 - 1 - Peak 1505 from cnoeabs.peaks (1.55, 3.02, 41.80 ppm; 3.47 A): 2 out of 18 assignments used, quality = 1.00: * HG2 LYS 33 + HE3 LYS 33 OK 94 100 - 94 - 3.9=68, 1483/3.0=14...(37) HG2 LYS 33 + HE2 LYS 33 OK 94 100 - 94 - 3.9=68, 1483/3.0=14...(37) HB2 LEU 3 - HE2 LYS 33 lone 7 99 - 7 - 1461/3.9=1, 1483/3.0=1 HB2 LEU 3 - HE3 LYS 33 lone 7 99 - 7 - 1461/3.9=1, 1483/3.0=1 HB3 GLU 28 - HE3 LYS 33 lone 5 77 - 6 - HB3 GLU 28 - HE2 LYS 33 lone 5 77 - 6 - HD3 LYS 53 - HE3 LYS 33 lone 3 99 - 3 - HD3 LYS 53 - HE2 LYS 33 lone 3 99 - 3 - HG12 ILE 56 - HE2 LYS 33 lone 2 70 - 4 - HG12 ILE 56 - HE3 LYS 33 lone 2 70 - 4 - HG3 ARG 79 - HE3 LYS 33 lone 2 84 - 2 - HG3 ARG 79 - HE2 LYS 33 lone 2 84 - 2 - HG2 ARG 79 - HE3 LYS 33 lone 2 81 - 2 - HG2 ARG 79 - HE2 LYS 33 lone 2 81 - 2 - HD3 LYS 82 - HE2 LYS 33 lone 1 65 - 1 - HD3 LYS 82 - HE3 LYS 33 lone 1 65 - 1 - HG3 ARG 30 - HE2 LYS 33 lone 1 65 - 1 - HG3 ARG 30 - HE3 LYS 33 lone 1 65 - 1 - Peak 1506 from cnoeabs.peaks (1.50, 3.02, 41.80 ppm; 3.58 A): 2 out of 28 assignments used, quality = 1.00: * HG3 LYS 33 + HE3 LYS 33 OK 96 100 - 96 - 3.9=75, 1.8/1505=15...(33) HG3 LYS 33 + HE2 LYS 33 OK 96 100 - 96 - 3.9=75, 1.8/1505=15...(33) HG3 LYS 13 - HE3 LYS 33 OK 22 97 - 23 - 1451/3.9=3, 1466=2...(10) HG3 LYS 13 - HE2 LYS 33 OK 22 97 - 23 - 1451/3.9=3, 1465=2...(10) HG3 LYS 24 - HE2 LYS 33 OK 12 99 - 12 - 1451/3.9=2, 1465=2...(5) HG3 LYS 24 - HE3 LYS 33 OK 12 99 - 12 - 1451/3.9=2, 1465=2...(5) HB2 LEU 14 - HE3 LYS 33 lone 5 65 - 8 - ~8430=1 HB2 LEU 14 - HE2 LYS 33 lone 5 65 - 8 - ~8430=1 HG2 LYS 47 - HE2 LYS 33 lone 5 84 - 5 - HG2 LYS 47 - HE3 LYS 33 lone 5 84 - 5 - HG LEU 57 - HE2 LYS 33 lone 3 100 - 3 - HG LEU 57 - HE3 LYS 33 lone 3 100 - 3 - HB ILE 7 - HE2 LYS 33 lone 3 65 - 4 - 8732/8735=1 HB ILE 7 - HE3 LYS 33 lone 3 65 - 4 - 8732/8735=1 HG LEU 2 - HE3 LYS 33 lone 2 90 - 2 - HG LEU 2 - HE2 LYS 33 lone 2 90 - 2 - HG3 LYS 66 - HE3 LYS 33 lone 2 90 - 2 - HG3 LYS 66 - HE2 LYS 33 lone 2 90 - 2 - HG2 LYS 73 - HE3 LYS 33 lone 2 87 - 2 - HG2 LYS 73 - HE2 LYS 33 lone 2 87 - 2 - HG2 LYS 66 - HE2 LYS 33 lone 2 84 - 2 - HG2 LYS 66 - HE3 LYS 33 lone 2 84 - 2 - HB3 LEU 64 - HE2 LYS 33 lone 1 81 - 1 - HB3 LEU 64 - HE3 LYS 33 lone 1 81 - 1 - HB3 LEU 103 - HE2 LYS 33 lone 1 61 - 1 - HB3 LEU 103 - HE3 LYS 33 lone 1 61 - 1 - HB2 ARG 91 - HE2 LYS 33 lone 1 65 - 1 - HB2 ARG 91 - HE3 LYS 33 lone 1 65 - 1 - Peak 1507 from cnoeabs.peaks (1.72, 3.02, 41.80 ppm; 2.76 A): 4 out of 14 assignments used, quality = 1.00: * HD2 LYS 33 + HE3 LYS 33 OK 89 100 - 89 - 3.0=82, 3.0/1494=7...(19) HD2 LYS 33 + HE2 LYS 33 OK 89 100 - 89 - 3.0=82, 3.0/1494=7...(19) HD3 LYS 33 + HE3 LYS 33 OK 89 100 - 89 - 3.0=82, 3.0/1494=7...(19) HD3 LYS 33 + HE2 LYS 33 OK 89 100 - 89 - 3.0=82, 3.0/1494=7...(19) HB ILE 15 - HE3 LYS 33 lone 7 99 - 7 - 3.0/8451=2, ~8451=1 HB ILE 15 - HE2 LYS 33 lone 7 99 - 7 - 3.0/8451=2, ~8451=1 HD2 ARG 81 - HE3 LYS 33 lone 5 100 - 5 - HD2 ARG 81 - HE2 LYS 33 lone 5 100 - 5 - HB2 GLU 28 - HE2 LYS 33 lone 2 65 - 3 - HB2 GLU 28 - HE3 LYS 33 lone 2 65 - 3 - HD2 LYS 90 - HE3 LYS 33 lone 2 77 - 2 - HD2 LYS 90 - HE2 LYS 33 lone 2 77 - 2 - HB3 LEU 70 - HE2 LYS 33 lone 1 94 - 1 - HB3 LEU 70 - HE3 LYS 33 lone 1 94 - 1 - Peak 1508 from cnoeabs.peaks (1.72, 3.02, 41.80 ppm; 2.76 A): 4 out of 14 assignments used, quality = 1.00: HD2 LYS 33 + HE3 LYS 33 OK 89 100 - 89 - 3.0=82, 3.0/1494=7...(19) HD2 LYS 33 + HE2 LYS 33 OK 89 100 - 89 - 3.0=82, 3.0/1494=7...(19) * HD3 LYS 33 + HE3 LYS 33 OK 89 100 - 89 - 3.0=82, 3.0/1494=7...(19) HD3 LYS 33 + HE2 LYS 33 OK 89 100 - 89 - 3.0=82, 3.0/1494=7...(19) HB ILE 15 - HE3 LYS 33 lone 7 99 - 7 - 3.0/8451=2, ~8451=1 HB ILE 15 - HE2 LYS 33 lone 7 99 - 7 - 3.0/8451=2, ~8451=1 HD2 ARG 81 - HE3 LYS 33 lone 5 100 - 5 - HD2 ARG 81 - HE2 LYS 33 lone 5 100 - 5 - HB2 GLU 28 - HE2 LYS 33 lone 2 65 - 3 - HB2 GLU 28 - HE3 LYS 33 lone 2 65 - 3 - HD2 LYS 90 - HE3 LYS 33 lone 2 77 - 2 - HD2 LYS 90 - HE2 LYS 33 lone 2 77 - 2 - HB3 LEU 70 - HE2 LYS 33 lone 1 94 - 1 - HB3 LEU 70 - HE3 LYS 33 lone 1 94 - 1 - Peak 1509 from cnoeabs.peaks (3.02, 3.02, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 33 + HE3 LYS 33 OK 100 100 - 100 HE2 LYS 33 + HE2 LYS 33 OK 100 100 - 100 Reference assignment not found: HE2 LYS 33 - HE3 LYS 33 Peak 1510 from cnoeabs.peaks (3.02, 3.02, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 33 + HE3 LYS 33 OK 100 100 - 100 HE2 LYS 33 + HE2 LYS 33 OK 100 100 - 100 Peak 1513 from cnoeabs.peaks (4.78, 4.78, 58.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 34 + HA THR 34 OK 100 100 - 100 Peak 1515 from cnoeabs.peaks (1.17, 4.78, 58.86 ppm; 4.51 A): 1 out of 4 assignments used, quality = 1.00: * QG2 THR 34 + HA THR 34 OK 100 100 - 100 - 3.2=100 HB2 LEU 6 - HA THR 34 OK 39 99 - 40 - 6542/3.0=9, 1520/3.0=7...(10) HB2 LEU 29 - HA THR 34 lone 6 77 - 7 - 6542/3.0=2 HG2 LYS 40 - HA THR 34 lone 5 70 - 8 - 6542/3.0=3 Peak 1516 from cnoeabs.peaks (9.17, 4.78, 58.86 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 35 + HA THR 34 OK 100 100 - 100 - 3.6=100 H ILE 56 - HA THR 34 OK 11 81 - 14 - 6543/3.0=5, 1526/3.2=4 Peak 1517 from cnoeabs.peaks (7.25, 4.59, 73.02 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * H THR 34 + HB THR 34 OK 100 100 - 100 - 4.0=100 HH2 TRP 92 - HB THR 34 OK 22 98 - 23 - 1522/2.1=8, 14658/3.0=7...(6) Peak 1518 from cnoeabs.peaks (4.78, 4.59, 73.02 ppm; 3.02 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 34 + HB THR 34 OK 100 100 - 100 - 3.0=100 HA VAL 83 - HB THR 34 OK 13 73 - 18 - 1523/2.1=4, 3.2/9800=3...(6) Peak 1519 from cnoeabs.peaks (4.59, 4.59, 73.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 34 + HB THR 34 OK 100 100 - 100 Peak 1520 from cnoeabs.peaks (1.17, 4.59, 73.02 ppm; 2.93 A): 1 out of 4 assignments used, quality = 1.00: * QG2 THR 34 + HB THR 34 OK 100 100 - 100 - 2.1=100 HB2 LEU 6 - HB THR 34 OK 21 99 - 21 - 1515/3.0=3, 6542/4.0=3...(10) HB2 LEU 29 - HB THR 34 lone 3 77 - 3 - HG2 LYS 40 - HB THR 34 lone 2 70 - 3 - Peak 1521 from cnoeabs.peaks (9.17, 4.59, 73.02 ppm; 3.52 A): 1 out of 2 assignments used, quality = 0.80: * H GLU 35 + HB THR 34 OK 80 100 - 80 - 4.4=51, 6546/3.0=30...(7) H ILE 56 - HB THR 34 poor 10 81 - 12 - 1526/2.1=4, 6543/4.0=3 Peak 1522 from cnoeabs.peaks (7.25, 1.17, 21.62 ppm; 3.54 A): 2 out of 2 assignments used, quality = 0.93: * H THR 34 + QG2 THR 34 OK 91 100 - 91 - 4.0=70, 3.0/1523=28...(17) HH2 TRP 92 + QG2 THR 34 OK 19 98 - 20 - 1517/2.1=4, 14658/3.2=4...(6) Peak 1523 from cnoeabs.peaks (4.78, 1.17, 21.62 ppm; 2.97 A): 2 out of 2 assignments used, quality = 0.91: * HA THR 34 + QG2 THR 34 OK 90 100 - 90 - 3.2=79, 1518/2.1=26...(6) HA VAL 83 + QG2 THR 34 OK 13 73 - 17 - 1518/2.1=4, 3.0/8758=3...(6) Peak 1524 from cnoeabs.peaks (4.59, 1.17, 21.62 ppm; 2.92 A): 1 out of 5 assignments used, quality = 1.00: * HB THR 34 + QG2 THR 34 OK 100 100 - 100 - 2.1=100 HA ILE 8 - QG2 THR 34 lone 5 73 - 6 - 8822/8830=1 HA ASP 11 - QG2 THR 34 lone 3 100 - 3 - HA THR 84 - QG2 THR 34 lone 2 73 - 2 - HA HIS 105 - QG2 THR 34 lone 1 100 - 1 - Peak 1525 from cnoeabs.peaks (1.17, 1.17, 21.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 34 + QG2 THR 34 OK 100 100 - 100 Peak 1526 from cnoeabs.peaks (9.17, 1.17, 21.62 ppm; 4.09 A): 1 out of 2 assignments used, quality = 0.98: * H GLU 35 + QG2 THR 34 OK 98 100 - 98 - 4.2=93, 6547/2.1=38...(8) H ILE 56 - QG2 THR 34 OK 17 81 - 21 - 1521/2.1=4, 6543/4.0=4...(7) Peak 1527 from cnoeabs.peaks (9.17, 3.89, 59.23 ppm; 3.92 A): 2 out of 6 assignments used, quality = 1.00: * H GLU 35 + HA GLU 35 OK 100 100 - 100 - 3.0=100 H GLU 35 + HA GLU 43 OK 48 92 - 53 - 6549=11, 6554/2.9=9...(21) H GLU 35 - HA ARG 91 OK 25 99 - 25 - 6549=5, 8776/3.0=4...(8) H ILE 56 - HA GLU 35 poor 9 81 - 11 - 6556/3.6=3, 1541/3.0=2 H ILE 56 - HA ARG 91 lone 2 79 - 3 - H ILE 56 - HA GLU 43 lone 2 69 - 3 - Peak 1528 from cnoeabs.peaks (3.89, 3.89, 59.23 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA GLU 35 + HA GLU 35 OK 100 100 - 100 HA ARG 91 + HA ARG 91 OK 99 99 - 100 HA GLU 43 + HA GLU 43 OK 91 91 - 100 Peak 1529 from cnoeabs.peaks (2.01, 3.89, 59.23 ppm; 2.93 A): 1 out of 27 assignments used, quality = 0.97: * HB2 GLU 35 + HA GLU 35 OK 97 100 - 97 - 3.0=92, 1534/3.0=15...(22) HB2 GLU 35 - HA GLU 43 OK 41 92 - 45 - 1535=8, 1540/2.9=5...(18) QE MET 74 - HA GLU 43 OK 29 88 - 33 - 9585/2.9=9, 9589/3.6=7...(5) HB3 MET 1 - HA GLU 35 OK 19 99 - 19 - 19/4.1=2, 19/4.1=2...(7) QE MET 74 - HA GLU 35 OK 19 98 - 19 - 9585/3.6=3, 9610=3...(5) HB2 GLU 35 - HA ARG 91 OK 16 99 - 17 - 1535=3, 1.8/1542=2...(5) HB3 LYS 94 - HA GLU 43 OK 15 66 - 24 - 4196=4, 1.8/4184=4...(5) HB3 GLU 44 - HA GLU 43 OK 14 87 - 16 - 2002/3.6=7, 12303/2.9=3...(6) HB2 GLU 44 - HA GLU 43 OK 14 87 - 16 - 2002/3.6=7, 12303/2.9=3...(6) HB3 LYS 94 - HA ARG 91 OK 12 75 - 15 - 4.0/7502=3, 4196=3...(6) HB3 LYS 94 - HA GLU 35 OK 11 77 - 14 - 4196=2, 1.8/4184=2...(4) HB2 GLU 62 - HA GLU 35 lone 9 96 - 9 - 2737/3.0=2 HB3 GLU 17 - HA GLU 35 lone 8 100 - 8 - 1535=1 HB2 GLU 44 - HA GLU 35 lone 7 97 - 7 - 3.9/6705=2 HB3 GLU 44 - HA GLU 35 lone 7 97 - 7 - 3.9/6705=2 QE MET 74 - HA ARG 91 lone 5 97 - 6 - 9610=1 HB3 MET 1 - HA GLU 43 lone 4 90 - 5 - HB3 GLU 44 - HA ARG 91 lone 4 96 - 4 - HB2 GLU 44 - HA ARG 91 lone 4 96 - 4 - HB3 GLU 17 - HA GLU 43 lone 3 92 - 3 - HB3 MET 1 - HA ARG 91 lone 3 98 - 3 - HB3 GLU 17 - HA ARG 91 lone 2 99 - 2 - HB2 GLN 50 - HA GLU 35 lone 1 73 - 2 - HB2 GLU 62 - HA ARG 91 lone 1 94 - 1 - HB2 GLU 62 - HA GLU 43 lone 1 85 - 2 - HB2 GLN 50 - HA GLU 43 lone 1 62 - 2 - HB2 GLN 50 - HA ARG 91 lone 1 72 - 1 - Peak 1530 from cnoeabs.peaks (2.08, 3.89, 59.23 ppm; 2.92 A): 2 out of 36 assignments used, quality = 0.99: * HB3 GLU 35 + HA GLU 35 OK 96 100 - 96 - 3.0=91, 1541/3.0=13...(22) HB3 GLU 43 + HA GLU 43 OK 60 62 - 96 - 3.0=91, 1975/3.7=7...(15) HB3 GLU 35 - HA GLU 43 OK 41 92 - 45 - 1.8/1535=6, 1542=6...(19) HB3 GLU 88 - HA ARG 91 OK 34 99 - 34 - 3.0/9956=5, 10306=5...(15) HB3 LEU 38 - HA GLU 43 OK 30 85 - 36 - 3.8/12057=4, 1635=3...(18) HB3 LEU 38 - HA GLU 35 OK 29 96 - 30 - 3.8/12057=6, 6551/3.0=3...(12) HB3 GLU 43 - HA GLU 35 OK 28 73 - 38 - 1.8/1963=5, 1971=4...(15) HB3 GLU 35 - HA ARG 91 OK 17 99 - 17 - 1542=2, 1.8/1535=2...(4) HB3 LEU 38 - HA ARG 91 OK 17 94 - 18 - 3.8/12057=2, 3.1/10168=2...(7) HB3 GLU 88 - HA GLU 35 OK 16 100 - 16 - 10306=2, 3.0/9956=2...(7) HB2 GLU 23 - HA ARG 91 OK 14 97 - 15 - ~10461=2, 10462/4.0=2...(5) HB3 GLU 43 - HA ARG 91 OK 11 72 - 16 - 1.8/1963=2, 1971=2...(5) HB2 GLU 16 - HA GLU 35 OK 11 99 - 10 - 1542=1, 1537/3.0=1 HB3 GLU 62 - HA GLU 35 lone 9 96 - 9 - 2743/3.0=2, 1.8/4023=1 HB2 GLU 16 - HA GLU 43 lone 8 90 - 9 - 1542=1, 4.0/1958=1 HB2 MET 74 - HA GLU 35 poor 8 65 - 12 - 4.2/9610=1, ~3348=1...(4) HB2 GLU 23 - HA GLU 35 lone 7 98 - 7 - HB3 GLU 88 - HA GLU 43 lone 7 91 - 8 - 10306=1, 3.0/9956=1 HB2 MET 74 - HA GLU 43 poor 6 55 - 11 - 4.2/9610=3, 6707/3.6=2...(4) QE MET 21 - HA ARG 91 lone 3 64 - 5 - 8539/3.0=2 HB2 GLU 16 - HA ARG 91 lone 3 98 - 3 - HB2 GLU 23 - HA GLU 43 lone 2 88 - 2 - HB3 GLU 62 - HA ARG 91 lone 2 94 - 2 - HB2 MET 74 - HA ARG 91 lone 2 64 - 2 - HB3 GLU 62 - HA GLU 43 lone 1 85 - 2 - HG3 GLU 104 - HA GLU 35 lone 1 70 - 2 - HG3 GLU 104 - HA ARG 91 lone 1 68 - 2 - QE MET 21 - HA GLU 35 lone 1 65 - 1 - QE MET 21 - HA GLU 43 lone 1 55 - 2 - HG2 GLU 28 - HA GLU 43 lone 1 59 - 1 - HG3 GLU 28 - HA GLU 43 lone 1 59 - 1 - HG3 GLU 28 - HA ARG 91 lone 1 68 - 1 - HG2 GLU 28 - HA ARG 91 lone 1 68 - 1 - HG3 GLU 28 - HA GLU 35 lone 1 70 - 1 - HG2 GLU 28 - HA GLU 35 lone 1 70 - 1 - HG3 GLU 104 - HA GLU 43 lone 0 59 - 1 - Peak 1531 from cnoeabs.peaks (2.20, 3.89, 59.23 ppm; 3.12 A): 5 out of 27 assignments used, quality = 1.00: HG3 GLU 35 + HA GLU 35 OK 82 100 - 82 - 4.1=45, 2.9/4023=9...(24) * HG2 GLU 35 + HA GLU 35 OK 82 100 - 82 - 4.1=45, 2.9/4023=9...(24) HG2 GLU 43 + HA GLU 43 OK 71 85 - 83 - 3.7=62, 1974/3.0=13...(13) HG3 GLU 35 + HA GLU 43 OK 48 92 - 52 - 1974/3.0=6, 1549=6...(22) HG2 GLU 35 + HA GLU 43 OK 48 92 - 52 - 1974/3.0=6, 1549=6...(22) HG2 GLU 43 - HA GLU 35 OK 31 96 - 33 - 1.8/1985=5, 3.0/1971=4...(12) HG2 MET 1 - HA GLU 35 OK 17 100 - 18 - 25/3.0=3, 1.8/10353=2...(7) HG3 PRO 86 - HA ARG 91 OK 15 99 - 15 - 3846/3.6=3, ~10990=2...(4) HG2 GLU 43 - HA ARG 91 OK 14 94 - 15 - 1.8/1985=2, 3.0/1971=2...(6) HG3 GLU 35 - HA ARG 91 OK 13 99 - 13 - 2.9/1535=2, 2.9/1542=2...(4) HG2 GLU 35 - HA ARG 91 OK 13 99 - 13 - 2.9/1535=2, 2.9/1542=2...(4) HG2 MET 1 - HA GLU 43 lone 6 92 - 7 - HB2 GLU 95 - HA GLU 35 lone 6 96 - 6 - 4.0/7524=2, ~8777=1 HB2 GLU 95 - HA GLU 43 lone 5 85 - 6 - 4.0/7524=3 HB2 GLU 63 - HA GLU 35 lone 5 100 - 5 - HG3 PRO 86 - HA GLU 35 lone 5 100 - 5 - HB2 GLU 63 - HA GLU 43 lone 4 92 - 5 - HB2 GLU 95 - HA ARG 91 lone 4 94 - 5 - 4.0/7524=3 HG2 MET 1 - HA ARG 91 lone 4 99 - 4 - HG3 PRO 86 - HA GLU 43 lone 4 92 - 4 - HB3 GLU 75 - HA GLU 35 lone 3 97 - 3 - HB3 GLU 75 - HA GLU 43 lone 2 87 - 3 - HB2 GLU 63 - HA ARG 91 lone 2 99 - 2 - HB3 GLU 75 - HA ARG 91 lone 2 96 - 2 - HG2 GLU 98 - HA ARG 91 lone 1 60 - 1 - HG2 GLU 98 - HA GLU 35 lone 0 61 - 1 - HG2 GLU 98 - HA GLU 43 lone 0 52 - 1 - Peak 1532 from cnoeabs.peaks (2.20, 3.89, 59.23 ppm; 3.12 A): 5 out of 27 assignments used, quality = 1.00: * HG3 GLU 35 + HA GLU 35 OK 82 100 - 82 - 4.1=45, 2.9/4023=9...(24) HG2 GLU 35 + HA GLU 35 OK 82 100 - 82 - 4.1=45, 2.9/4023=9...(24) HG2 GLU 43 + HA GLU 43 OK 71 85 - 83 - 3.7=62, 1974/3.0=13...(13) HG3 GLU 35 + HA GLU 43 OK 48 92 - 52 - 1974/3.0=6, 1549=6...(22) HG2 GLU 35 + HA GLU 43 OK 48 92 - 52 - 1974/3.0=6, 1549=6...(22) HG2 GLU 43 - HA GLU 35 OK 31 96 - 33 - 1.8/1985=5, 3.0/1971=4...(12) HG2 MET 1 - HA GLU 35 OK 17 100 - 18 - 25/3.0=3, 1.8/10353=2...(7) HG3 PRO 86 - HA ARG 91 OK 15 99 - 15 - 3846/3.6=3, ~10990=2...(4) HG2 GLU 43 - HA ARG 91 OK 14 94 - 15 - 1.8/1985=2, 3.0/1971=2...(6) HG3 GLU 35 - HA ARG 91 OK 13 99 - 13 - 2.9/1535=2, 2.9/1542=2...(4) HG2 GLU 35 - HA ARG 91 OK 13 99 - 13 - 2.9/1535=2, 2.9/1542=2...(4) HG2 MET 1 - HA GLU 43 lone 6 92 - 7 - HB2 GLU 95 - HA GLU 35 lone 6 96 - 6 - 4.0/7524=2, ~8777=1 HB2 GLU 95 - HA GLU 43 lone 5 85 - 6 - 4.0/7524=3 HB2 GLU 63 - HA GLU 35 lone 5 100 - 5 - HG3 PRO 86 - HA GLU 35 lone 5 100 - 5 - HB2 GLU 63 - HA GLU 43 lone 4 92 - 5 - HB2 GLU 95 - HA ARG 91 lone 4 94 - 5 - 4.0/7524=3 HG2 MET 1 - HA ARG 91 lone 4 99 - 4 - HG3 PRO 86 - HA GLU 43 lone 4 92 - 4 - HB3 GLU 75 - HA GLU 35 lone 3 97 - 3 - HB3 GLU 75 - HA GLU 43 lone 2 87 - 3 - HB2 GLU 63 - HA ARG 91 lone 2 99 - 2 - HB3 GLU 75 - HA ARG 91 lone 2 96 - 2 - HG2 GLU 98 - HA ARG 91 lone 1 60 - 1 - HG2 GLU 98 - HA GLU 35 lone 0 61 - 1 - HG2 GLU 98 - HA GLU 43 lone 0 52 - 1 - Peak 1533 from cnoeabs.peaks (8.19, 3.89, 59.23 ppm; 3.48 A): 3 out of 9 assignments used, quality = 1.00: * H ASP 36 + HA GLU 35 OK 97 100 - 97 - 3.6=93, 6556/3.0=24...(13) H GLU 43 + HA GLU 43 OK 85 85 - 100 - 2.9=100 H GLU 43 + HA GLU 35 OK 51 96 - 54 - 1547/3.0=8, 6692=8...(18) H ASP 36 - HA GLU 43 OK 39 92 - 43 - 6557=8, 1970/3.0=6...(11) H GLU 43 - HA ARG 91 OK 17 94 - 18 - 6692=3, 4.0/1963=2...(6) H LYS 68 - HA GLU 43 OK 16 92 - 17 - 6704/3.6=3, 1970/3.0=3...(6) H ASP 36 - HA ARG 91 OK 15 99 - 15 - 6557=3, 4.6/1527=2...(5) H LYS 68 - HA GLU 35 OK 12 100 - 12 - 6554/3.0=2, 1562/4.9=2...(4) H LYS 68 - HA ARG 91 lone 3 99 - 3 - Peak 1534 from cnoeabs.peaks (9.17, 2.01, 29.38 ppm; 3.82 A): 1 out of 4 assignments used, quality = 0.95: * H GLU 35 + HB2 GLU 35 OK 95 100 - 95 - 4.0=84, 1541/1.8=30...(15) H ILE 56 - HB2 GLU 35 lone 7 81 - 8 - 1541/1.8=2, 6556/4.7=2 H GLU 35 - HB3 GLU 17 lone 5 64 - 8 - 6550=2, 3.0/1535=1, 4.0/1543=1 H ILE 56 - HB3 GLU 17 lone 1 44 - 3 - Peak 1535 from cnoeabs.peaks (3.89, 2.01, 29.38 ppm; 3.34 A): 2 out of 16 assignments used, quality = 1.00: * HA GLU 35 + HB2 GLU 35 OK 100 100 - 100 - 3.0=100 HA GLU 43 + HB2 GLU 35 OK 53 99 - 53 - 2.9/1540=7, 1542/1.8=6...(26) HA LEU 38 - HB2 GLU 35 OK 23 84 - 28 - ~12057=4, 1542/1.8=3...(10) HA ARG 91 - HB2 GLU 35 OK 19 100 - 19 - 1542/1.8=2, 1529=2...(6) HA GLU 35 - HB3 GLU 17 poor 7 64 - 11 - 1529=1, 3.0/1543=1, 3.0/6550=1 HA ALA 89 - HB2 GLU 35 lone 5 81 - 6 - ~9933=1, ~7403=1 HA3 GLY 101 - HB2 GLU 35 lone 4 98 - 4 - HA GLU 43 - HB3 GLU 17 lone 3 62 - 4 - 2.9/12303=1 HA3 GLY 101 - HB3 GLU 17 lone 3 60 - 4 - 4450/4.0=2 HA ALA 89 - HB3 GLU 17 lone 2 44 - 4 - HB2 SER 85 - HB2 GLU 35 lone 2 73 - 2 - HB2 SER 102 - HB2 GLU 35 lone 1 97 - 1 - HA ARG 91 - HB3 GLU 17 lone 1 64 - 2 - HA LEU 38 - HB3 GLU 17 lone 1 47 - 2 - HB2 SER 102 - HB3 GLU 17 lone 1 59 - 2 - HB2 SER 85 - HB3 GLU 17 lone 0 40 - 1 - Peak 1536 from cnoeabs.peaks (2.01, 2.01, 29.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 35 + HB2 GLU 35 OK 100 100 - 100 HB3 GLU 17 + HB3 GLU 17 OK 64 64 - 100 Peak 1537 from cnoeabs.peaks (2.08, 2.01, 29.38 ppm; 2.40 A): 1 out of 24 assignments used, quality = 1.00: * HB3 GLU 35 + HB2 GLU 35 OK 100 100 - 100 - 1.8=100 HB3 GLU 43 - HB2 GLU 35 OK 20 73 - 27 - 3.0/1535=3, 4.0/1540=2...(11) HB3 LEU 38 - HB2 GLU 35 OK 15 96 - 15 - ~1629=1, 3.0/1535=1...(6) HB2 GLU 16 - HB3 GLU 17 OK 10 61 - 17 - 6250/4.0=4, 697/2.9=3...(5) HB3 GLU 62 - HB2 GLU 35 poor 10 96 - 10 - 2743=2, 3.0/2726=1 HB2 GLU 16 - HB2 GLU 35 lone 9 99 - 9 - 1543=2 HB3 GLU 88 - HB2 GLU 35 lone 8 100 - 8 - 10306/3.0=1 HB2 MET 74 - HB2 GLU 35 poor 8 65 - 12 - 1.8/3348=2, 2.9/3356=1...(5) HB2 GLU 23 - HB2 GLU 35 lone 6 98 - 5 - 1543=1 HB3 GLU 35 - HB3 GLU 17 lone 5 64 - 8 - 1543=2 HB2 GLU 23 - HB3 GLU 17 lone 4 60 - 7 - 1019/2.9=2, 6250/4.0=1...(4) HB3 GLU 62 - HB3 GLU 17 lone 4 57 - 7 - 2743=2 HB2 MET 74 - HB3 GLU 17 lone 2 35 - 6 - 1.8/3348=1 HB3 GLU 88 - HB3 GLU 17 lone 2 63 - 3 - HG3 GLU 104 - HB2 GLU 35 lone 1 70 - 1 - HB3 GLU 43 - HB3 GLU 17 lone 1 40 - 2 - HB3 LEU 38 - HB3 GLU 17 lone 1 57 - 1 - QE MET 21 - HB2 GLU 35 lone 0 65 - 0 - HG2 GLU 28 - HB2 GLU 35 lone 0 70 - 0 - HG3 GLU 28 - HB2 GLU 35 lone 0 70 - 0 - QE MET 21 - HB3 GLU 17 lone 0 35 - 0 - HG3 GLU 104 - HB3 GLU 17 lone 0 37 - 0 - HG2 GLU 28 - HB3 GLU 17 lone 0 37 - 0 - HG3 GLU 28 - HB3 GLU 17 lone 0 37 - 0 - Peak 1538 from cnoeabs.peaks (2.20, 2.01, 29.38 ppm; 2.57 A): 2 out of 18 assignments used, quality = 0.97: * HG2 GLU 35 + HB2 GLU 35 OK 83 100 - 83 - 2.9=67, 1546/1.8=10...(20) HG3 GLU 35 + HB2 GLU 35 OK 83 100 - 83 - 2.9=67, 1546/1.8=10...(20) HG2 GLU 43 - HB2 GLU 35 OK 27 96 - 28 - 1550=3, 3.7/1535=3...(14) HG2 MET 1 - HB3 GLU 17 OK 25 63 - 40 - 25=7, 1.8/32=5, 24/1.8=5...(14) HG2 MET 1 - HB2 GLU 35 OK 19 100 - 19 - 25=3, 1.8/32=3, 3.0/11=2...(7) HB2 GLU 63 - HB2 GLU 35 lone 5 100 - 5 - 4.0/7015=1 HG3 PRO 86 - HB2 GLU 35 lone 5 100 - 5 - HG2 GLU 35 - HB3 GLU 17 lone 4 64 - 6 - HG3 GLU 35 - HB3 GLU 17 lone 4 64 - 6 - HB2 GLU 95 - HB2 GLU 35 lone 3 96 - 3 - HB3 GLU 75 - HB2 GLU 35 lone 2 97 - 3 - HG3 PRO 86 - HB3 GLU 17 lone 2 64 - 3 - HB3 GLU 75 - HB3 GLU 17 lone 1 59 - 2 - HB2 GLU 63 - HB3 GLU 17 lone 1 64 - 1 - HG2 GLU 43 - HB3 GLU 17 lone 1 57 - 2 - HB2 GLU 95 - HB3 GLU 17 lone 1 57 - 1 - HG2 GLU 98 - HB2 GLU 35 lone 0 61 - 0 - HG2 GLU 98 - HB3 GLU 17 lone 0 32 - 0 - Peak 1539 from cnoeabs.peaks (2.20, 2.01, 29.38 ppm; 2.57 A): 2 out of 18 assignments used, quality = 0.97: HG2 GLU 35 + HB2 GLU 35 OK 83 100 - 83 - 2.9=67, 1546/1.8=10...(20) * HG3 GLU 35 + HB2 GLU 35 OK 83 100 - 83 - 2.9=67, 1546/1.8=10...(20) HG2 GLU 43 - HB2 GLU 35 OK 27 96 - 28 - 1550=3, 3.7/1535=3...(14) HG2 MET 1 - HB3 GLU 17 OK 25 63 - 40 - 25=7, 1.8/32=5, 24/1.8=5...(14) HG2 MET 1 - HB2 GLU 35 OK 19 100 - 19 - 25=3, 1.8/32=3, 3.0/11=2...(7) HB2 GLU 63 - HB2 GLU 35 lone 5 100 - 5 - 4.0/7015=1 HG3 PRO 86 - HB2 GLU 35 lone 5 100 - 5 - HG2 GLU 35 - HB3 GLU 17 lone 4 64 - 6 - HG3 GLU 35 - HB3 GLU 17 lone 4 64 - 6 - HB2 GLU 95 - HB2 GLU 35 lone 3 96 - 3 - HB3 GLU 75 - HB2 GLU 35 lone 2 97 - 3 - HG3 PRO 86 - HB3 GLU 17 lone 2 64 - 3 - HB3 GLU 75 - HB3 GLU 17 lone 1 59 - 2 - HB2 GLU 63 - HB3 GLU 17 lone 1 64 - 1 - HG2 GLU 43 - HB3 GLU 17 lone 1 57 - 2 - HB2 GLU 95 - HB3 GLU 17 lone 1 57 - 1 - HG2 GLU 98 - HB2 GLU 35 lone 0 61 - 0 - HG2 GLU 98 - HB3 GLU 17 lone 0 32 - 0 - Peak 1540 from cnoeabs.peaks (8.19, 2.01, 29.38 ppm; 3.95 A): 3 out of 6 assignments used, quality = 0.95: * H ASP 36 + HB2 GLU 35 OK 86 100 - 86 - 4.7=61, 6556/4.0=23...(8) H GLU 43 + HB2 GLU 35 OK 60 96 - 63 - 1547/1.8=13, 12303=11...(23) H LYS 68 + HB2 GLU 35 OK 13 100 - 13 - 1547/1.8=3, 6554/4.0=2 H GLU 43 - HB3 GLU 17 poor 7 57 - 12 - 4.6/8916=2, 12303=2...(4) H ASP 36 - HB3 GLU 17 lone 5 64 - 8 - 6558=2 H LYS 68 - HB3 GLU 17 lone 2 64 - 3 - Peak 1541 from cnoeabs.peaks (9.17, 2.08, 29.38 ppm; 3.88 A): 1 out of 6 assignments used, quality = 0.97: * H GLU 35 + HB3 GLU 35 OK 97 100 - 97 - 4.0=88, 1534/1.8=33...(15) H ILE 56 - HB3 GLU 35 lone 8 81 - 9 - 1534/1.8=2, 6556/4.7=2 H GLU 35 - HB2 GLU 16 lone 7 83 - 8 - 6551=2, 4.0/1537=1, 3.0/1542=1 H GLU 35 - HB2 GLU 23 lone 5 73 - 6 - 6551=1 H ILE 56 - HB2 GLU 23 lone 1 51 - 2 - H ILE 56 - HB2 GLU 16 lone 1 60 - 1 - Peak 1542 from cnoeabs.peaks (3.89, 2.08, 29.38 ppm; 3.24 A): 2 out of 24 assignments used, quality = 1.00: * HA GLU 35 + HB3 GLU 35 OK 100 100 - 100 - 3.0=100 HA GLU 43 + HB3 GLU 35 OK 51 99 - 52 - 1535/1.8=8, 2.9/1547=7...(26) HA LEU 38 - HB3 GLU 35 OK 28 84 - 33 - ~12057=4, 1535/1.8=3...(12) HA ARG 91 - HB3 GLU 35 OK 20 100 - 20 - 1535/1.8=3, 3.0/12058=2...(5) HA ARG 91 - HB2 GLU 23 OK 12 73 - 16 - ~10461=3, 3.0/12058=2...(6) HA GLU 35 - HB2 GLU 16 OK 11 83 - 13 - 3.0/1537=2, 3.0/1541=1, 1530=1 HA GLU 43 - HB2 GLU 16 poor 9 81 - 11 - 1958/4.0=2 HA3 GLY 101 - HB2 GLU 16 poor 9 78 - 11 - 3.0/696=2, ~704=2...(4) HA ALA 89 - HB2 GLU 23 poor 9 51 - 17 - 3.0/7403=5, 2.1/9933=4...(6) HA LEU 38 - HB2 GLU 16 poor 7 63 - 11 - 3.0/1629=1, 1618=1 HA GLU 35 - HB2 GLU 23 lone 7 73 - 9 - HA ALA 89 - HB3 GLU 35 lone 7 81 - 8 - 3.0/7403=2, 2.1/9933=2 HB2 SER 85 - HB2 GLU 23 lone 4 46 - 10 - 9869/1.8=2, ~9872=2...(5) HA LEU 38 - HB2 GLU 23 lone 4 54 - 8 - HA3 GLY 101 - HB3 GLU 35 lone 4 98 - 4 - HA ARG 91 - HB2 GLU 16 lone 3 83 - 4 - HA ALA 89 - HB2 GLU 16 lone 2 60 - 4 - 3.0/7403=1, 2.1/9933=1 HB2 SER 102 - HB2 GLU 23 lone 2 67 - 3 - 4460/4.0=1 HA GLU 43 - HB2 GLU 23 lone 2 71 - 3 - HB2 SER 102 - HB2 GLU 16 lone 2 77 - 3 - HA3 GLY 101 - HB2 GLU 23 lone 2 68 - 3 - HB2 SER 85 - HB3 GLU 35 lone 2 73 - 2 - HB2 SER 102 - HB3 GLU 35 lone 2 97 - 2 - HB2 SER 85 - HB2 GLU 16 lone 1 54 - 2 - Peak 1543 from cnoeabs.peaks (2.01, 2.08, 29.38 ppm; 2.40 A): 1 out of 27 assignments used, quality = 1.00: * HB2 GLU 35 + HB3 GLU 35 OK 100 100 - 100 - 1.8=100 HB3 MET 1 - HB3 GLU 35 OK 15 99 - 16 - 19/2.9=2, 19/2.9=2, ~11=1 HB3 GLU 17 - HB2 GLU 16 OK 14 83 - 17 - 4.0/6250=4, 1537=2...(6) HB2 GLU 62 - HB2 GLU 23 OK 11 65 - 17 - 2737=4, 3.0/2727=2...(7) HB2 GLU 62 - HB3 GLU 35 lone 9 96 - 10 - 2737=2, ~2743=1 QE MET 74 - HB3 GLU 35 lone 9 98 - 9 - 9610/3.0=2, 9585/4.7=1 HB2 GLU 35 - HB2 GLU 16 lone 8 83 - 10 - 1537=2 HB3 GLU 17 - HB3 GLU 35 lone 7 100 - 7 - 1537=1 HB3 LYS 94 - HB3 GLU 35 lone 5 77 - 6 - 4196/3.0=1 HB3 GLU 17 - HB2 GLU 23 lone 5 73 - 6 - 4.0/6250=1, 2.9/1019=1...(4) HB2 GLU 35 - HB2 GLU 23 lone 4 73 - 6 - 1537=1 HB3 GLU 44 - HB3 GLU 35 lone 4 97 - 4 - HB2 GLU 44 - HB3 GLU 35 lone 4 97 - 4 - QE MET 74 - HB2 GLU 16 lone 3 78 - 4 - HB2 GLN 50 - HB2 GLU 16 lone 3 54 - 6 - HB2 GLU 62 - HB2 GLU 16 lone 3 75 - 4 - HB3 LYS 94 - HB2 GLU 23 lone 3 49 - 6 - ~12257=1, ~10465=1, ~12255=1 HB3 MET 1 - HB2 GLU 16 lone 2 80 - 3 - 6256/4.6=1 HB2 GLU 44 - HB2 GLU 16 lone 2 77 - 2 - HB3 GLU 44 - HB2 GLU 16 lone 2 77 - 2 - HB3 MET 1 - HB2 GLU 23 lone 1 70 - 2 - HB2 GLN 50 - HB3 GLU 35 lone 1 73 - 1 - QE MET 74 - HB2 GLU 23 lone 0 68 - 1 - HB3 LYS 94 - HB2 GLU 16 lone 0 57 - 1 - HB2 GLU 44 - HB2 GLU 23 lone 0 67 - 1 - HB3 GLU 44 - HB2 GLU 23 lone 0 67 - 1 - HB2 GLN 50 - HB2 GLU 23 lone 0 46 - 0 - Peak 1544 from cnoeabs.peaks (2.08, 2.08, 29.38 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 35 + HB3 GLU 35 OK 100 100 - 100 HB2 GLU 16 + HB2 GLU 16 OK 80 80 - 100 HB2 GLU 23 + HB2 GLU 23 OK 68 68 - 100 Peak 1545 from cnoeabs.peaks (2.20, 2.08, 29.38 ppm; 2.40 A): 2 out of 27 assignments used, quality = 0.93: * HG2 GLU 35 + HB3 GLU 35 OK 73 100 - 73 - 2.9=54, 1538/1.8=9...(15) HG3 GLU 35 + HB3 GLU 35 OK 73 100 - 73 - 2.9=54, 1538/1.8=9...(15) HG2 GLU 43 - HB3 GLU 35 OK 20 96 - 21 - 1538/1.8=3, 1558=2...(10) HB2 GLU 95 - HB2 GLU 23 OK 16 65 - 25 - 4288/1.8=5, 4289/2.9=3...(7) HG2 MET 1 - HB3 GLU 35 OK 13 100 - 13 - 25/1.8=3, ~32=1, 3.0/1543=1 HB2 GLU 63 - HB2 GLU 16 OK 10 83 - 12 - 2776/3.0=2, 3.0/720=2, ~2783=1 HG3 GLU 35 - HB2 GLU 16 lone 6 83 - 7 - 1558=1 HG2 GLU 35 - HB2 GLU 16 lone 6 83 - 7 - 1558=1 HB2 GLU 95 - HB2 GLU 16 lone 6 75 - 8 - 4288/1.8=2 HG2 GLU 43 - HB2 GLU 16 lone 4 75 - 6 - HB2 GLU 63 - HB3 GLU 35 lone 4 100 - 4 - HG3 PRO 86 - HB3 GLU 35 lone 4 100 - 4 - HG3 GLU 35 - HB2 GLU 23 lone 3 73 - 4 - HG2 GLU 35 - HB2 GLU 23 lone 3 73 - 4 - HB3 GLU 75 - HB2 GLU 16 lone 3 77 - 3 - HB2 GLU 95 - HB3 GLU 35 lone 2 96 - 2 - HB3 GLU 75 - HB3 GLU 35 lone 1 97 - 2 - HB3 GLU 75 - HB2 GLU 23 lone 1 67 - 2 - HB2 GLU 63 - HB2 GLU 23 lone 1 73 - 2 - HG2 MET 1 - HB2 GLU 16 lone 1 82 - 1 - HG2 MET 1 - HB2 GLU 23 lone 1 72 - 1 - HG3 PRO 86 - HB2 GLU 23 lone 1 73 - 1 - HG3 PRO 86 - HB2 GLU 16 lone 1 83 - 1 - HG2 GLU 43 - HB2 GLU 23 lone 0 65 - 1 - HG2 GLU 98 - HB2 GLU 23 lone 0 37 - 1 - HG2 GLU 98 - HB3 GLU 35 lone 0 61 - 0 - HG2 GLU 98 - HB2 GLU 16 lone 0 44 - 0 - Peak 1546 from cnoeabs.peaks (2.20, 2.08, 29.38 ppm; 2.40 A): 2 out of 27 assignments used, quality = 0.93: HG2 GLU 35 + HB3 GLU 35 OK 73 100 - 73 - 2.9=54, 1538/1.8=9...(15) * HG3 GLU 35 + HB3 GLU 35 OK 73 100 - 73 - 2.9=54, 1538/1.8=9...(15) HG2 GLU 43 - HB3 GLU 35 OK 20 96 - 21 - 1538/1.8=3, 1558=2...(10) HB2 GLU 95 - HB2 GLU 23 OK 16 65 - 25 - 4288/1.8=5, 4289/2.9=3...(7) HG2 MET 1 - HB3 GLU 35 OK 13 100 - 13 - 25/1.8=3, ~32=1, 3.0/1543=1 HB2 GLU 63 - HB2 GLU 16 OK 10 83 - 12 - 2776/3.0=2, 3.0/720=2, ~2783=1 HG3 GLU 35 - HB2 GLU 16 lone 6 83 - 7 - 1558=1 HG2 GLU 35 - HB2 GLU 16 lone 6 83 - 7 - 1558=1 HB2 GLU 95 - HB2 GLU 16 lone 6 75 - 8 - 4288/1.8=2 HG2 GLU 43 - HB2 GLU 16 lone 4 75 - 6 - HB2 GLU 63 - HB3 GLU 35 lone 4 100 - 4 - HG3 PRO 86 - HB3 GLU 35 lone 4 100 - 4 - HG3 GLU 35 - HB2 GLU 23 lone 3 73 - 4 - HG2 GLU 35 - HB2 GLU 23 lone 3 73 - 4 - HB3 GLU 75 - HB2 GLU 16 lone 3 77 - 3 - HB2 GLU 95 - HB3 GLU 35 lone 2 96 - 2 - HB3 GLU 75 - HB3 GLU 35 lone 1 97 - 2 - HB3 GLU 75 - HB2 GLU 23 lone 1 67 - 2 - HB2 GLU 63 - HB2 GLU 23 lone 1 73 - 2 - HG2 MET 1 - HB2 GLU 16 lone 1 82 - 1 - HG2 MET 1 - HB2 GLU 23 lone 1 72 - 1 - HG3 PRO 86 - HB2 GLU 23 lone 1 73 - 1 - HG3 PRO 86 - HB2 GLU 16 lone 1 83 - 1 - HG2 GLU 43 - HB2 GLU 23 lone 0 65 - 1 - HG2 GLU 98 - HB2 GLU 23 lone 0 37 - 1 - HG2 GLU 98 - HB3 GLU 35 lone 0 61 - 0 - HG2 GLU 98 - HB2 GLU 16 lone 0 44 - 0 - Peak 1547 from cnoeabs.peaks (8.19, 2.08, 29.38 ppm; 3.47 A): 2 out of 9 assignments used, quality = 0.85: * H ASP 36 + HB3 GLU 35 OK 73 100 - 73 - 4.7=42, 6558/1.8=18...(8) H GLU 43 + HB3 GLU 35 OK 45 96 - 47 - 1540/1.8=10, 6695/2.9=6...(17) H LYS 68 - HB3 GLU 35 lone 9 100 - 9 - 1540/1.8=2, 6554/4.0=2 H ASP 36 - HB2 GLU 16 lone 5 83 - 6 - 6559=2 H GLU 43 - HB2 GLU 16 lone 5 75 - 7 - 6696/3.0=1 H ASP 36 - HB2 GLU 23 lone 4 73 - 6 - 6559=2 H LYS 68 - HB2 GLU 23 lone 2 73 - 3 - H GLU 43 - HB2 GLU 23 lone 2 65 - 2 - H LYS 68 - HB2 GLU 16 lone 1 83 - 2 - Peak 1548 from cnoeabs.peaks (9.17, 2.20, 36.41 ppm; 4.06 A): 2 out of 6 assignments used, quality = 0.99: H GLU 35 + HG3 GLU 35 OK 89 100 - 89 - 4.9=56, 1534/2.9=28...(16) * H GLU 35 + HG2 GLU 35 OK 89 100 - 89 - 4.9=56, 1534/2.9=28...(16) H GLU 35 - HG2 GLU 43 OK 31 71 - 44 - 6553=8, 1527/3.7=7...(15) H ILE 56 - HG3 GLU 35 lone 6 81 - 8 - 1541/2.9=2, 1534/2.9=2 H ILE 56 - HG2 GLU 35 lone 6 81 - 8 - 1541/2.9=2, 1534/2.9=2 H ILE 56 - HG2 GLU 43 lone 1 50 - 3 - Peak 1549 from cnoeabs.peaks (3.89, 2.20, 36.41 ppm; 3.12 A): 5 out of 24 assignments used, quality = 1.00: HA GLU 35 + HG3 GLU 35 OK 82 100 - 82 - 4.1=45, 4023/2.9=9...(24) * HA GLU 35 + HG2 GLU 35 OK 82 100 - 82 - 4.1=45, 4023/2.9=9...(24) HA GLU 43 + HG2 GLU 43 OK 57 69 - 83 - 3.7=61, 3.0/1974=13...(13) HA GLU 43 + HG2 GLU 35 OK 51 99 - 51 - 3.0/1974=6, 1535/2.9=5...(22) HA GLU 43 + HG3 GLU 35 OK 51 99 - 51 - 3.0/1974=6, 1535/2.9=5...(22) HA GLU 35 - HG2 GLU 43 OK 23 71 - 32 - 1985/1.8=5, 1971/3.0=4...(12) HA LEU 38 - HG2 GLU 35 OK 15 84 - 18 - 1535/2.9=2, 3.6/8954=2...(6) HA LEU 38 - HG3 GLU 35 OK 15 84 - 18 - 1535/2.9=2, 3.6/8954=2...(6) HA LEU 38 - HG2 GLU 43 OK 15 52 - 29 - 1985/1.8=5, 1971/3.0=4...(14) HA ARG 91 - HG2 GLU 35 OK 13 100 - 13 - 1535/2.9=2, 1542/2.9=2...(4) HA ARG 91 - HG3 GLU 35 OK 13 100 - 13 - 1535/2.9=2, 1542/2.9=2...(4) HA ARG 91 - HG2 GLU 43 OK 10 70 - 14 - 1985/1.8=2, 1971/3.0=2...(6) HA3 GLY 101 - HG2 GLU 43 lone 4 66 - 5 - HA ALA 89 - HG3 GLU 35 lone 3 81 - 4 - HA ALA 89 - HG2 GLU 35 lone 3 81 - 4 - HA3 GLY 101 - HG3 GLU 35 lone 3 98 - 3 - HA3 GLY 101 - HG2 GLU 35 lone 3 98 - 3 - HB2 SER 85 - HG3 GLU 35 lone 2 73 - 3 - HB2 SER 85 - HG2 GLU 35 lone 2 73 - 3 - HA ALA 89 - HG2 GLU 43 lone 2 50 - 3 - HB2 SER 102 - HG2 GLU 35 lone 1 97 - 1 - HB2 SER 102 - HG3 GLU 35 lone 1 97 - 1 - HB2 SER 85 - HG2 GLU 43 lone 1 44 - 1 - HB2 SER 102 - HG2 GLU 43 lone 1 65 - 1 - Peak 1550 from cnoeabs.peaks (2.01, 2.20, 36.41 ppm; 2.63 A): 2 out of 27 assignments used, quality = 0.98: * HB2 GLU 35 + HG2 GLU 35 OK 86 100 - 86 - 2.9=71, 1539/1.8=10...(21) HB2 GLU 35 + HG3 GLU 35 OK 86 100 - 86 - 2.9=71, 1539/1.8=10...(21) HB3 MET 1 - HG3 GLU 35 OK 25 99 - 26 - 19=4, 19/1.8=3, 1.8/12=3...(9) HB3 MET 1 - HG2 GLU 35 OK 25 99 - 26 - 19=4, 19/1.8=3, 1.8/12=3...(9) HB2 GLU 35 - HG2 GLU 43 OK 21 71 - 31 - 1538=5, 1535/3.7=3...(15) QE MET 74 - HG2 GLU 43 OK 13 66 - 20 - 10280/1.8=7, 9585/5.0=3...(4) QE MET 74 - HG2 GLU 35 lone 9 98 - 10 - 9610/4.1=1, 3368/2.9=1 QE MET 74 - HG3 GLU 35 lone 9 98 - 10 - 9610/4.1=1, 3368/2.9=1 HB2 GLU 62 - HG3 GLU 35 lone 7 96 - 8 - 2737/2.9=1 HB2 GLU 62 - HG2 GLU 35 lone 7 96 - 8 - 2737/2.9=1 HB3 GLU 17 - HG3 GLU 35 lone 6 100 - 6 - HB3 GLU 17 - HG2 GLU 35 lone 6 100 - 6 - HB3 LYS 94 - HG3 GLU 35 lone 6 77 - 8 - HB3 LYS 94 - HG2 GLU 35 lone 6 77 - 8 - HB3 LYS 94 - HG2 GLU 43 poor 6 47 - 13 - 4196/3.7=2, 4.0/11007=1...(4) HB3 GLU 44 - HG2 GLU 35 lone 4 97 - 4 - 3.9/6708=1 HB3 GLU 44 - HG3 GLU 35 lone 4 97 - 4 - 3.9/6708=1 HB2 GLU 44 - HG2 GLU 35 lone 4 97 - 4 - 3.9/6708=1 HB2 GLU 44 - HG3 GLU 35 lone 4 97 - 4 - 3.9/6708=1 HB2 GLU 44 - HG2 GLU 43 lone 3 65 - 5 - 3.9/6708=2, 12303/5.0=1 HB3 GLU 44 - HG2 GLU 43 lone 3 65 - 5 - 3.9/6708=2, 12303/5.0=1 HB3 MET 1 - HG2 GLU 43 lone 3 68 - 4 - HB3 GLU 17 - HG2 GLU 43 lone 1 70 - 2 - HB2 GLN 50 - HG2 GLU 35 lone 1 73 - 1 - HB2 GLN 50 - HG3 GLU 35 lone 1 73 - 1 - HB2 GLU 62 - HG2 GLU 43 lone 1 63 - 1 - HB2 GLN 50 - HG2 GLU 43 lone 1 44 - 1 - Peak 1551 from cnoeabs.peaks (2.08, 2.20, 36.41 ppm; 2.42 A): 2 out of 36 assignments used, quality = 0.93: HB3 GLU 35 + HG3 GLU 35 OK 74 100 - 74 - 2.9=56, 1.8/1538=9...(17) * HB3 GLU 35 + HG2 GLU 35 OK 74 100 - 74 - 2.9=56, 1.8/1538=9...(17) HB3 GLU 43 - HG2 GLU 43 OK 28 44 - 63 - 3.0=52, 1975/1.8=10...(8) HB3 GLU 43 - HG3 GLU 35 OK 23 73 - 32 - 1974=5, 1.8/1966=4...(10) HB3 GLU 43 - HG2 GLU 35 OK 23 73 - 32 - 1974=5, 1.8/1966=4...(10) HB3 GLU 35 - HG2 GLU 43 OK 16 71 - 23 - 1545=4, 1.8/1538=3...(11) HB3 LEU 38 - HG2 GLU 43 OK 15 63 - 23 - 1987/1.8=2, ~1624=2...(10) HB3 LEU 38 - HG3 GLU 35 OK 11 96 - 11 - 1537/2.9=1 HB3 LEU 38 - HG2 GLU 35 OK 11 96 - 11 - 1537/2.9=1 HB2 GLU 16 - HG2 GLU 35 lone 7 99 - 7 - 1546=1 HB2 GLU 16 - HG3 GLU 35 lone 7 99 - 7 - 1546=1 HB3 GLU 62 - HG3 GLU 35 lone 6 96 - 6 - 2743/2.9=1 HB3 GLU 62 - HG2 GLU 35 lone 6 96 - 6 - 2743/2.9=1 HB3 GLU 88 - HG3 GLU 35 lone 5 100 - 5 - HB3 GLU 88 - HG2 GLU 35 lone 5 100 - 5 - HB2 GLU 23 - HG2 GLU 35 lone 4 98 - 4 - HB2 GLU 23 - HG3 GLU 35 lone 4 98 - 4 - HB2 GLU 16 - HG2 GLU 43 lone 4 68 - 6 - HB2 MET 74 - HG2 GLU 35 lone 3 65 - 5 - HB2 MET 74 - HG3 GLU 35 lone 3 65 - 5 - HB2 MET 74 - HG2 GLU 43 lone 2 39 - 4 - HB3 GLU 88 - HG2 GLU 43 lone 1 70 - 2 - HG3 GLU 104 - HG3 GLU 35 lone 1 70 - 1 - HG3 GLU 104 - HG2 GLU 35 lone 1 70 - 1 - HB2 GLU 23 - HG2 GLU 43 lone 1 66 - 1 - HB3 GLU 62 - HG2 GLU 43 lone 0 63 - 1 - HG3 GLU 28 - HG2 GLU 43 lone 0 42 - 1 - HG2 GLU 28 - HG2 GLU 43 lone 0 42 - 1 - QE MET 21 - HG2 GLU 35 lone 0 65 - 0 - QE MET 21 - HG3 GLU 35 lone 0 65 - 0 - HG2 GLU 28 - HG2 GLU 35 lone 0 70 - 0 - HG3 GLU 28 - HG2 GLU 35 lone 0 70 - 0 - HG2 GLU 28 - HG3 GLU 35 lone 0 70 - 0 - HG3 GLU 28 - HG3 GLU 35 lone 0 70 - 0 - QE MET 21 - HG2 GLU 43 lone 0 39 - 0 - HG3 GLU 104 - HG2 GLU 43 lone 0 42 - 0 - Peak 1552 from cnoeabs.peaks (2.20, 2.20, 36.41 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 GLU 35 + HG3 GLU 35 OK 100 100 - 100 * HG2 GLU 35 + HG2 GLU 35 OK 100 100 - 100 HG2 GLU 43 + HG2 GLU 43 OK 63 63 - 100 Peak 1553 from cnoeabs.peaks (2.20, 2.20, 36.41 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 GLU 35 + HG3 GLU 35 OK 100 100 - 100 HG2 GLU 35 + HG2 GLU 35 OK 100 100 - 100 HG2 GLU 43 + HG2 GLU 43 OK 63 63 - 100 Reference assignment not found: HG3 GLU 35 - HG2 GLU 35 Peak 1554 from cnoeabs.peaks (8.19, 2.20, 36.41 ppm; 3.61 A): 5 out of 9 assignments used, quality = 0.99: H ASP 36 + HG3 GLU 35 OK 63 100 - 63 - 6558/2.9=15, 1547/2.9=14...(9) * H ASP 36 + HG2 GLU 35 OK 63 100 - 63 - 6558/2.9=15, 1547/2.9=14...(9) H GLU 43 + HG3 GLU 35 OK 56 96 - 59 - 6695=9, 1547/2.9=9...(23) H GLU 43 + HG2 GLU 35 OK 56 96 - 59 - 6695=9, 1547/2.9=9...(23) H GLU 43 + HG2 GLU 43 OK 46 63 - 73 - 5.0=37, 1984/1.8=19...(10) H ASP 36 - HG2 GLU 43 OK 27 71 - 39 - 6561=8, 1984/1.8=8...(10) H LYS 68 - HG2 GLU 43 OK 11 70 - 15 - 1984/1.8=4, 1970/3.0=3...(4) H LYS 68 - HG3 GLU 35 lone 10 100 - 10 - 1540/2.9=2, 1547/2.9=2 H LYS 68 - HG2 GLU 35 lone 10 100 - 10 - 1540/2.9=2, 1547/2.9=2 Peak 1555 from cnoeabs.peaks (9.17, 2.20, 36.41 ppm; 4.06 A): 2 out of 6 assignments used, quality = 0.99: * H GLU 35 + HG3 GLU 35 OK 89 100 - 89 - 4.9=56, 1534/2.9=28...(16) H GLU 35 + HG2 GLU 35 OK 89 100 - 89 - 4.9=56, 1534/2.9=28...(16) H GLU 35 - HG2 GLU 43 OK 31 71 - 44 - 6553=8, 1527/3.7=7...(15) H ILE 56 - HG3 GLU 35 lone 6 81 - 8 - 1541/2.9=2, 1534/2.9=2 H ILE 56 - HG2 GLU 35 lone 6 81 - 8 - 1541/2.9=2, 1534/2.9=2 H ILE 56 - HG2 GLU 43 lone 1 50 - 3 - Peak 1556 from cnoeabs.peaks (3.89, 2.20, 36.41 ppm; 3.12 A): 5 out of 24 assignments used, quality = 1.00: * HA GLU 35 + HG3 GLU 35 OK 82 100 - 82 - 4.1=45, 4023/2.9=9...(24) HA GLU 35 + HG2 GLU 35 OK 82 100 - 82 - 4.1=45, 4023/2.9=9...(24) HA GLU 43 + HG2 GLU 43 OK 57 69 - 83 - 3.7=61, 3.0/1974=13...(13) HA GLU 43 + HG2 GLU 35 OK 51 99 - 51 - 3.0/1974=6, 1535/2.9=5...(22) HA GLU 43 + HG3 GLU 35 OK 51 99 - 51 - 3.0/1974=6, 1535/2.9=5...(22) HA GLU 35 - HG2 GLU 43 OK 23 71 - 32 - 1985/1.8=5, 1971/3.0=4...(12) HA LEU 38 - HG2 GLU 35 OK 15 84 - 18 - 1535/2.9=2, 3.6/8954=2...(6) HA LEU 38 - HG3 GLU 35 OK 15 84 - 18 - 1535/2.9=2, 3.6/8954=2...(6) HA LEU 38 - HG2 GLU 43 OK 15 52 - 29 - 1985/1.8=5, 1971/3.0=4...(14) HA ARG 91 - HG2 GLU 35 OK 13 100 - 13 - 1535/2.9=2, 1542/2.9=2...(4) HA ARG 91 - HG3 GLU 35 OK 13 100 - 13 - 1535/2.9=2, 1542/2.9=2...(4) HA ARG 91 - HG2 GLU 43 OK 10 70 - 14 - 1985/1.8=2, 1971/3.0=2...(6) HA3 GLY 101 - HG2 GLU 43 lone 4 66 - 5 - HA ALA 89 - HG3 GLU 35 lone 3 81 - 4 - HA ALA 89 - HG2 GLU 35 lone 3 81 - 4 - HA3 GLY 101 - HG3 GLU 35 lone 3 98 - 3 - HA3 GLY 101 - HG2 GLU 35 lone 3 98 - 3 - HB2 SER 85 - HG3 GLU 35 lone 2 73 - 3 - HB2 SER 85 - HG2 GLU 35 lone 2 73 - 3 - HA ALA 89 - HG2 GLU 43 lone 2 50 - 3 - HB2 SER 102 - HG2 GLU 35 lone 1 97 - 1 - HB2 SER 102 - HG3 GLU 35 lone 1 97 - 1 - HB2 SER 85 - HG2 GLU 43 lone 1 44 - 1 - HB2 SER 102 - HG2 GLU 43 lone 1 65 - 1 - Peak 1557 from cnoeabs.peaks (2.01, 2.20, 36.41 ppm; 2.63 A): 2 out of 27 assignments used, quality = 0.98: HB2 GLU 35 + HG2 GLU 35 OK 86 100 - 86 - 2.9=71, 1539/1.8=10...(21) * HB2 GLU 35 + HG3 GLU 35 OK 86 100 - 86 - 2.9=71, 1539/1.8=10...(21) HB3 MET 1 - HG3 GLU 35 OK 25 99 - 26 - 19=4, 19/1.8=3, 1.8/12=3...(9) HB3 MET 1 - HG2 GLU 35 OK 25 99 - 26 - 19=4, 19/1.8=3, 1.8/12=3...(9) HB2 GLU 35 - HG2 GLU 43 OK 21 71 - 31 - 1538=5, 1535/3.7=3...(15) QE MET 74 - HG2 GLU 43 OK 13 66 - 20 - 10280/1.8=7, 9585/5.0=3...(4) QE MET 74 - HG2 GLU 35 lone 9 98 - 10 - 9610/4.1=1, 3368/2.9=1 QE MET 74 - HG3 GLU 35 lone 9 98 - 10 - 9610/4.1=1, 3368/2.9=1 HB2 GLU 62 - HG3 GLU 35 lone 7 96 - 8 - 2737/2.9=1 HB2 GLU 62 - HG2 GLU 35 lone 7 96 - 8 - 2737/2.9=1 HB3 GLU 17 - HG3 GLU 35 lone 6 100 - 6 - HB3 GLU 17 - HG2 GLU 35 lone 6 100 - 6 - HB3 LYS 94 - HG3 GLU 35 lone 6 77 - 8 - HB3 LYS 94 - HG2 GLU 35 lone 6 77 - 8 - HB3 LYS 94 - HG2 GLU 43 poor 6 47 - 13 - 4196/3.7=2, 4.0/11007=1...(4) HB3 GLU 44 - HG2 GLU 35 lone 4 97 - 4 - 3.9/6708=1 HB3 GLU 44 - HG3 GLU 35 lone 4 97 - 4 - 3.9/6708=1 HB2 GLU 44 - HG2 GLU 35 lone 4 97 - 4 - 3.9/6708=1 HB2 GLU 44 - HG3 GLU 35 lone 4 97 - 4 - 3.9/6708=1 HB2 GLU 44 - HG2 GLU 43 lone 3 65 - 5 - 3.9/6708=2, 12303/5.0=1 HB3 GLU 44 - HG2 GLU 43 lone 3 65 - 5 - 3.9/6708=2, 12303/5.0=1 HB3 MET 1 - HG2 GLU 43 lone 3 68 - 4 - HB3 GLU 17 - HG2 GLU 43 lone 1 70 - 2 - HB2 GLN 50 - HG2 GLU 35 lone 1 73 - 1 - HB2 GLN 50 - HG3 GLU 35 lone 1 73 - 1 - HB2 GLU 62 - HG2 GLU 43 lone 1 63 - 1 - HB2 GLN 50 - HG2 GLU 43 lone 1 44 - 1 - Peak 1558 from cnoeabs.peaks (2.08, 2.20, 36.41 ppm; 2.42 A): 2 out of 36 assignments used, quality = 0.93: * HB3 GLU 35 + HG3 GLU 35 OK 74 100 - 74 - 2.9=56, 1.8/1538=9...(17) HB3 GLU 35 + HG2 GLU 35 OK 74 100 - 74 - 2.9=56, 1.8/1538=9...(17) HB3 GLU 43 - HG2 GLU 43 OK 28 44 - 63 - 3.0=52, 1975/1.8=10...(8) HB3 GLU 43 - HG3 GLU 35 OK 23 73 - 32 - 1974=5, 1.8/1966=4...(10) HB3 GLU 43 - HG2 GLU 35 OK 23 73 - 32 - 1974=5, 1.8/1966=4...(10) HB3 GLU 35 - HG2 GLU 43 OK 16 71 - 23 - 1545=4, 1.8/1538=3...(11) HB3 LEU 38 - HG2 GLU 43 OK 15 63 - 23 - 1987/1.8=2, ~1624=2...(10) HB3 LEU 38 - HG3 GLU 35 OK 11 96 - 11 - 1537/2.9=1 HB3 LEU 38 - HG2 GLU 35 OK 11 96 - 11 - 1537/2.9=1 HB2 GLU 16 - HG2 GLU 35 lone 7 99 - 7 - 1546=1 HB2 GLU 16 - HG3 GLU 35 lone 7 99 - 7 - 1546=1 HB3 GLU 62 - HG3 GLU 35 lone 6 96 - 6 - 2743/2.9=1 HB3 GLU 62 - HG2 GLU 35 lone 6 96 - 6 - 2743/2.9=1 HB3 GLU 88 - HG3 GLU 35 lone 5 100 - 5 - HB3 GLU 88 - HG2 GLU 35 lone 5 100 - 5 - HB2 GLU 23 - HG2 GLU 35 lone 4 98 - 4 - HB2 GLU 23 - HG3 GLU 35 lone 4 98 - 4 - HB2 GLU 16 - HG2 GLU 43 lone 4 68 - 6 - HB2 MET 74 - HG2 GLU 35 lone 3 65 - 5 - HB2 MET 74 - HG3 GLU 35 lone 3 65 - 5 - HB2 MET 74 - HG2 GLU 43 lone 2 39 - 4 - HB3 GLU 88 - HG2 GLU 43 lone 1 70 - 2 - HG3 GLU 104 - HG3 GLU 35 lone 1 70 - 1 - HG3 GLU 104 - HG2 GLU 35 lone 1 70 - 1 - HB2 GLU 23 - HG2 GLU 43 lone 1 66 - 1 - HB3 GLU 62 - HG2 GLU 43 lone 0 63 - 1 - HG3 GLU 28 - HG2 GLU 43 lone 0 42 - 1 - HG2 GLU 28 - HG2 GLU 43 lone 0 42 - 1 - QE MET 21 - HG2 GLU 35 lone 0 65 - 0 - QE MET 21 - HG3 GLU 35 lone 0 65 - 0 - HG2 GLU 28 - HG2 GLU 35 lone 0 70 - 0 - HG3 GLU 28 - HG2 GLU 35 lone 0 70 - 0 - HG2 GLU 28 - HG3 GLU 35 lone 0 70 - 0 - HG3 GLU 28 - HG3 GLU 35 lone 0 70 - 0 - QE MET 21 - HG2 GLU 43 lone 0 39 - 0 - HG3 GLU 104 - HG2 GLU 43 lone 0 42 - 0 - Peak 1559 from cnoeabs.peaks (2.20, 2.20, 36.41 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 GLU 35 + HG3 GLU 35 OK 100 100 - 100 HG2 GLU 35 + HG2 GLU 35 OK 100 100 - 100 HG2 GLU 43 + HG2 GLU 43 OK 63 63 - 100 Reference assignment not found: HG2 GLU 35 - HG3 GLU 35 Peak 1560 from cnoeabs.peaks (2.20, 2.20, 36.41 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 35 + HG3 GLU 35 OK 100 100 - 100 HG2 GLU 35 + HG2 GLU 35 OK 100 100 - 100 HG2 GLU 43 + HG2 GLU 43 OK 63 63 - 100 Peak 1561 from cnoeabs.peaks (8.19, 2.20, 36.41 ppm; 3.61 A): 5 out of 9 assignments used, quality = 0.99: * H ASP 36 + HG3 GLU 35 OK 63 100 - 63 - 6558/2.9=15, 1547/2.9=14...(9) H ASP 36 + HG2 GLU 35 OK 63 100 - 63 - 6558/2.9=15, 1547/2.9=14...(9) H GLU 43 + HG3 GLU 35 OK 56 96 - 59 - 6695=9, 1547/2.9=9...(23) H GLU 43 + HG2 GLU 35 OK 56 96 - 59 - 6695=9, 1547/2.9=9...(23) H GLU 43 + HG2 GLU 43 OK 46 63 - 73 - 5.0=37, 1984/1.8=19...(10) H ASP 36 - HG2 GLU 43 OK 27 71 - 39 - 6561=8, 1984/1.8=8...(10) H LYS 68 - HG2 GLU 43 OK 11 70 - 15 - 1984/1.8=4, 1970/3.0=3...(4) H LYS 68 - HG3 GLU 35 lone 10 100 - 10 - 1540/2.9=2, 1547/2.9=2 H LYS 68 - HG2 GLU 35 lone 10 100 - 10 - 1540/2.9=2, 1547/2.9=2 Peak 1562 from cnoeabs.peaks (8.19, 4.29, 56.96 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 36 + HA ASP 36 OK 100 100 - 100 - 3.0=100 H GLU 43 - HA ASP 36 OK 23 96 - 25 - 6567/3.6=5, 4.6/10537=3...(12) H LYS 68 - HA ASP 36 OK 19 100 - 19 - 6567/3.6=2, 4.6/10562=2...(10) Peak 1563 from cnoeabs.peaks (4.29, 4.29, 56.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 36 + HA ASP 36 OK 100 100 - 100 Peak 1564 from cnoeabs.peaks (2.50, 4.29, 56.96 ppm; 2.97 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ASP 36 + HA ASP 36 OK 98 100 - 98 - 3.0=97, 1.8/1573=15...(11) HB3 ASP 36 + HA ASP 36 OK 98 100 - 98 - 3.0=97, 1.8/1573=15...(11) HB2 ASP 87 - HA ASP 36 lone 7 96 - 7 - 1568=1, 6563/3.0=1 HB3 ASP 87 - HA ASP 36 lone 7 96 - 7 - 1568=1, 6563/3.0=1 HB2 ASP 61 - HA ASP 36 lone 7 99 - 7 - 1573=1, ~2721=1, ~2717=1 HG3 GLU 63 - HA ASP 36 lone 4 92 - 4 - HD2 ARG 91 - HA ASP 36 lone 2 61 - 3 - HG3 GLU 23 - HA ASP 36 lone 1 77 - 2 - Peak 1565 from cnoeabs.peaks (2.51, 4.29, 56.96 ppm; 2.97 A): 2 out of 9 assignments used, quality = 1.00: * HB3 ASP 36 + HA ASP 36 OK 98 100 - 98 - 3.0=97, 1.8/1573=15...(11) HB2 ASP 36 + HA ASP 36 OK 98 100 - 98 - 3.0=97, 1.8/1573=15...(11) HB2 ASP 61 - HA ASP 36 lone 7 100 - 7 - 1573=1, ~2721=1, ~2717=1 HB2 ASP 87 - HA ASP 36 lone 7 94 - 7 - 1568=1, 6563/3.0=1 HB3 ASP 87 - HA ASP 36 lone 7 94 - 7 - 1568=1, 6563/3.0=1 HG3 GLU 63 - HA ASP 36 lone 4 94 - 4 - HD2 ARG 91 - HA ASP 36 lone 2 57 - 3 - HG3 GLU 23 - HA ASP 36 lone 1 73 - 2 - HG3 GLU 95 - HA ASP 36 lone 1 61 - 2 - Peak 1566 from cnoeabs.peaks (7.74, 4.29, 56.96 ppm; 4.05 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 37 + HA ASP 36 OK 100 100 - 100 - 3.6=100 H MET 74 - HA ASP 36 OK 20 99 - 20 - 6565/3.0=7, 6.0/10536=3...(6) H ASN 60 - HA ASP 36 lone 8 90 - 9 - 6565/3.0=2, 1576/3.0=1 H VAL 78 - HA ASP 36 lone 4 84 - 5 - 6565/3.0=2 H SER 49 - HA ASP 36 lone 2 73 - 3 - Peak 1567 from cnoeabs.peaks (8.19, 2.50, 40.21 ppm; 2.99 A): 2 out of 15 assignments used, quality = 0.96: * H ASP 36 + HB2 ASP 36 OK 79 100 - 79 - 3.6=59, 6563/1.8=16...(9) H ASP 36 + HB3 ASP 36 OK 79 100 - 79 - 3.6=59, 6563/1.8=16...(9) H GLU 43 - HB2 ASP 36 lone 9 96 - 10 - 6567/4.0=3, 1562/3.0=3 H GLU 43 - HB3 ASP 36 lone 9 95 - 9 - 6567/4.0=3, 1562/3.0=3 H LYS 68 - HB3 ASP 36 lone 9 100 - 9 - 1562/3.0=3, 6567/4.0=2 H LYS 68 - HB2 ASP 36 lone 9 100 - 8 - 1562/3.0=3, 6567/4.0=2 H ASP 36 - HB3 ASP 87 poor 7 70 - 10 - 8772/4.6=3, 6563=2, 6563/1.8=2 H ASP 36 - HB2 ASP 87 poor 7 70 - 10 - 8772/4.6=3, 6563=2, 6563/1.8=2 H ASP 36 - HB2 ASP 61 lone 2 88 - 3 - H LYS 68 - HB2 ASP 61 lone 1 88 - 1 - H LYS 68 - HB3 ASP 87 lone 1 70 - 1 - H LYS 68 - HB2 ASP 87 lone 1 70 - 1 - H GLU 43 - HB2 ASP 87 lone 1 62 - 1 - H GLU 43 - HB3 ASP 87 lone 1 62 - 1 - H GLU 43 - HB2 ASP 61 lone 1 80 - 1 - Peak 1568 from cnoeabs.peaks (4.29, 2.50, 40.21 ppm; 2.91 A): 2 out of 10 assignments used, quality = 1.00: * HA ASP 36 + HB2 ASP 36 OK 95 100 - 95 - 3.0=91, 1564/1.8=14...(11) HA ASP 36 + HB3 ASP 36 OK 95 100 - 95 - 3.0=91, 1564/1.8=14...(11) HA ASP 36 - HB2 ASP 61 lone 6 88 - 7 - 1565=1, ~2721=1 HA ASP 36 - HB3 ASP 87 lone 5 70 - 7 - 1564=1, 3.0/6563=1, 1564/1.8=1 HA ASP 36 - HB2 ASP 87 lone 5 70 - 7 - 1564=1, 3.0/6563=1, 1564/1.8=1 HA LEU 103 - HB2 ASP 36 lone 3 87 - 4 - HA LEU 103 - HB3 ASP 36 lone 3 86 - 4 - HA LEU 103 - HB2 ASP 61 lone 0 71 - 0 - HA LEU 103 - HB3 ASP 87 lone 0 54 - 1 - HA LEU 103 - HB2 ASP 87 lone 0 54 - 1 - Peak 1569 from cnoeabs.peaks (2.50, 2.50, 40.21 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 ASP 36 + HB2 ASP 36 OK 100 100 - 100 HB3 ASP 36 + HB3 ASP 36 OK 100 100 - 100 HB2 ASP 61 + HB2 ASP 61 OK 86 86 - 100 HB3 ASP 87 + HB3 ASP 87 OK 62 62 - 100 HB2 ASP 87 + HB2 ASP 87 OK 62 62 - 100 Peak 1570 from cnoeabs.peaks (2.51, 2.50, 40.21 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB2 ASP 36 + HB2 ASP 36 OK 100 100 - 100 HB3 ASP 36 + HB3 ASP 36 OK 100 100 - 100 HB2 ASP 61 + HB2 ASP 61 OK 87 87 - 100 HB3 ASP 87 + HB3 ASP 87 OK 61 61 - 100 HB2 ASP 87 + HB2 ASP 87 OK 61 61 - 100 Reference assignment not found: HB3 ASP 36 - HB2 ASP 36 Peak 1571 from cnoeabs.peaks (7.74, 2.50, 40.21 ppm; 3.42 A): 2 out of 25 assignments used, quality = 0.96: * H GLU 37 + HB2 ASP 36 OK 80 100 - 80 - 4.0=60, 6565/3.6=17...(11) H GLU 37 + HB3 ASP 36 OK 80 100 - 80 - 4.0=60, 6565/3.6=17...(11) H ASN 60 - HB2 ASP 61 OK 19 73 - 26 - 4.6/6997=7, 9435/4.4=6...(7) H ASN 60 - HB3 ASP 36 OK 10 89 - 11 - 4.6/8799=3, 4.0/9424=2...(5) H ASN 60 - HB2 ASP 36 OK 10 90 - 11 - 4.6/8799=3, 4.0/9424=2...(5) H MET 74 - HB2 ASP 36 OK 10 99 - 10 - 6565/3.6=4, 1566/3.0=3 H MET 74 - HB3 ASP 36 poor 10 99 - 10 - 6565/3.6=4, 1566/3.0=3 H GLU 37 - HB2 ASP 87 poor 7 70 - 10 - 6569=2, 6569/1.8=2, 3.0/8833=1 H GLU 37 - HB3 ASP 87 poor 7 70 - 10 - 6569=2, 6569/1.8=2, 3.0/8833=1 H GLU 37 - HB2 ASP 61 lone 5 88 - 6 - 6569=1, 6990/4.0=1 H VAL 78 - HB2 ASP 36 lone 2 84 - 3 - H VAL 78 - HB3 ASP 36 lone 2 83 - 3 - H SER 49 - HB2 ASP 61 lone 2 58 - 4 - 6990/4.0=1 H MET 74 - HB2 ASP 61 lone 1 85 - 2 - H SER 49 - HB2 ASP 36 lone 1 73 - 2 - H SER 49 - HB3 ASP 36 lone 1 73 - 2 - H ASN 60 - HB2 ASP 87 lone 1 56 - 2 - H ASN 60 - HB3 ASP 87 lone 1 56 - 2 - H MET 74 - HB3 ASP 87 lone 1 67 - 1 - H MET 74 - HB2 ASP 87 lone 1 67 - 1 - H VAL 78 - HB2 ASP 61 lone 0 68 - 1 - H VAL 78 - HB2 ASP 87 lone 0 52 - 1 - H VAL 78 - HB3 ASP 87 lone 0 52 - 1 - H SER 49 - HB3 ASP 87 lone 0 44 - 1 - H SER 49 - HB2 ASP 87 lone 0 44 - 1 - Peak 1572 from cnoeabs.peaks (8.19, 2.51, 40.21 ppm; 2.99 A): 2 out of 15 assignments used, quality = 0.96: H ASP 36 + HB2 ASP 36 OK 79 100 - 79 - 3.6=59, 6563/1.8=16...(9) * H ASP 36 + HB3 ASP 36 OK 79 100 - 79 - 3.6=59, 6563/1.8=16...(9) H GLU 43 - HB3 ASP 36 lone 9 96 - 10 - 6567/4.0=3, 1562/3.0=3 H GLU 43 - HB2 ASP 36 lone 9 95 - 9 - 6567/4.0=3, 1562/3.0=3 H LYS 68 - HB3 ASP 36 lone 9 100 - 9 - 1562/3.0=3, 6567/4.0=2 H LYS 68 - HB2 ASP 36 lone 9 100 - 9 - 1562/3.0=3, 6567/4.0=2 H ASP 36 - HB3 ASP 87 lone 6 62 - 10 - 8772/4.6=3, 6563=2, 6563/1.8=2 H ASP 36 - HB2 ASP 87 lone 6 62 - 10 - 8772/4.6=3, 6563=2, 6563/1.8=2 H ASP 36 - HB2 ASP 61 lone 2 91 - 2 - H LYS 68 - HB2 ASP 61 lone 1 91 - 1 - H LYS 68 - HB3 ASP 87 lone 1 62 - 1 - H LYS 68 - HB2 ASP 87 lone 1 62 - 1 - H GLU 43 - HB2 ASP 87 lone 1 55 - 1 - H GLU 43 - HB3 ASP 87 lone 1 55 - 1 - H GLU 43 - HB2 ASP 61 lone 1 84 - 1 - Peak 1573 from cnoeabs.peaks (4.29, 2.51, 40.21 ppm; 2.91 A): 2 out of 10 assignments used, quality = 1.00: * HA ASP 36 + HB3 ASP 36 OK 95 100 - 95 - 3.0=91, 1564/1.8=14...(11) HA ASP 36 + HB2 ASP 36 OK 95 100 - 95 - 3.0=91, 1564/1.8=14...(11) HA ASP 36 - HB2 ASP 61 lone 6 91 - 7 - 1565=1, ~2721=1 HA ASP 36 - HB3 ASP 87 lone 4 62 - 7 - 1564=1, 3.0/6563=1, 1564/1.8=1 HA ASP 36 - HB2 ASP 87 lone 4 62 - 7 - 1564=1, 3.0/6563=1, 1564/1.8=1 HA LEU 103 - HB3 ASP 36 lone 3 87 - 4 - HA LEU 103 - HB2 ASP 36 lone 3 86 - 4 - HA LEU 103 - HB2 ASP 61 lone 0 74 - 0 - HA LEU 103 - HB3 ASP 87 lone 0 48 - 1 - HA LEU 103 - HB2 ASP 87 lone 0 48 - 1 - Peak 1574 from cnoeabs.peaks (2.50, 2.51, 40.21 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 ASP 36 + HB3 ASP 36 OK 100 100 - 100 HB2 ASP 36 + HB2 ASP 36 OK 100 100 - 100 HB2 ASP 61 + HB2 ASP 61 OK 89 89 - 100 HB3 ASP 87 + HB3 ASP 87 OK 55 55 - 100 HB2 ASP 87 + HB2 ASP 87 OK 55 55 - 100 Reference assignment not found: HB2 ASP 36 - HB3 ASP 36 Peak 1575 from cnoeabs.peaks (2.51, 2.51, 40.21 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 ASP 36 + HB3 ASP 36 OK 100 100 - 100 HB2 ASP 36 + HB2 ASP 36 OK 100 100 - 100 HB2 ASP 61 + HB2 ASP 61 OK 90 90 - 100 HB3 ASP 87 + HB3 ASP 87 OK 54 54 - 100 HB2 ASP 87 + HB2 ASP 87 OK 54 54 - 100 Peak 1576 from cnoeabs.peaks (7.74, 2.51, 40.21 ppm; 3.42 A): 2 out of 25 assignments used, quality = 0.96: * H GLU 37 + HB3 ASP 36 OK 80 100 - 80 - 4.0=60, 6565/3.6=17...(11) H GLU 37 + HB2 ASP 36 OK 80 100 - 80 - 4.0=60, 6565/3.6=17...(11) H ASN 60 - HB2 ASP 61 OK 20 77 - 27 - 4.6/6997=7, 9435/4.4=6...(8) H ASN 60 - HB3 ASP 36 OK 10 90 - 12 - 4.6/8799=3, 4.0/9424=2...(5) H ASN 60 - HB2 ASP 36 OK 10 89 - 11 - 4.6/8799=3, 4.0/9424=2...(5) H MET 74 - HB2 ASP 36 poor 10 99 - 10 - 6565/3.6=4, 1566/3.0=3 H MET 74 - HB3 ASP 36 poor 10 99 - 10 - 6565/3.6=4, 1566/3.0=3 H GLU 37 - HB3 ASP 87 poor 6 62 - 10 - 6569=2, 6569/1.8=2, 3.0/8833=1 H GLU 37 - HB2 ASP 87 poor 6 62 - 10 - 6569=2, 6569/1.8=2, 3.0/8833=1 H GLU 37 - HB2 ASP 61 lone 5 91 - 6 - 6569=1, 6990/4.0=1 H VAL 78 - HB3 ASP 36 lone 2 84 - 3 - H VAL 78 - HB2 ASP 36 lone 2 83 - 3 - H SER 49 - HB2 ASP 61 lone 2 61 - 4 - 6990/4.0=1 H MET 74 - HB2 ASP 61 lone 1 88 - 2 - H SER 49 - HB3 ASP 36 lone 1 73 - 2 - H SER 49 - HB2 ASP 36 lone 1 73 - 2 - H ASN 60 - HB2 ASP 87 lone 1 50 - 2 - H ASN 60 - HB3 ASP 87 lone 1 50 - 2 - H MET 74 - HB3 ASP 87 lone 1 59 - 1 - H MET 74 - HB2 ASP 87 lone 1 59 - 1 - H VAL 78 - HB2 ASP 61 lone 0 71 - 1 - H VAL 78 - HB2 ASP 87 lone 0 45 - 1 - H VAL 78 - HB3 ASP 87 lone 0 45 - 1 - H SER 49 - HB3 ASP 87 lone 0 38 - 1 - H SER 49 - HB2 ASP 87 lone 0 38 - 1 - Peak 1577 from cnoeabs.peaks (7.74, 3.71, 58.70 ppm; 3.57 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 37 + HA GLU 37 OK 100 100 - 100 - 3.0=100 H MET 74 - HA GLU 37 OK 38 99 - 39 - 1594/3.0=7, 1587/3.0=7...(11) H ASN 60 - HA GLU 37 lone 8 90 - 9 - 1594/3.0=2, 1587/3.0=1...(4) H VAL 78 - HA GLU 37 lone 7 84 - 8 - 1594/3.0=1, 6579/3.6=1 H SER 49 - HA GLU 37 lone 6 73 - 8 - 4.6/1584=1, 1587/3.0=1 Peak 1578 from cnoeabs.peaks (3.71, 3.71, 58.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 37 + HA GLU 37 OK 100 100 - 100 Peak 1579 from cnoeabs.peaks (1.98, 3.71, 58.70 ppm; 3.25 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLU 37 + HA GLU 37 OK 100 100 - 100 - 3.0=100 HB3 MET 74 - HA GLU 37 OK 25 77 - 33 - 6572/3.0=5, 4.0/1577=4...(14) HB2 ARG 46 - HA GLU 37 OK 15 100 - 15 - 6581/3.6=3, 4.0/6737=2...(5) HB2 LYS 47 - HA GLU 37 lone 9 94 - 10 - 6572/3.0=1, 4.7/1584=1 QE MET 1 - HA GLU 37 lone 8 100 - 8 - 6572/3.0=1 HB3 ARG 46 - HA GLU 37 poor 7 65 - 11 - 4.0/6737=2, 6581/3.6=1, ~6572=1 HB2 LYS 24 - HA GLU 37 lone 4 77 - 5 - HB3 LYS 24 - HA GLU 37 lone 4 77 - 5 - Peak 1580 from cnoeabs.peaks (2.13, 3.71, 58.70 ppm; 3.04 A): 2 out of 11 assignments used, quality = 1.00: * HB3 GLU 37 + HA GLU 37 OK 100 100 - 100 - 3.0=100 HG3 GLU 37 + HA GLU 37 OK 56 73 - 77 - 3.9=48, 1.8/1581=12...(15) HB2 PRO 86 - HA GLU 37 lone 6 98 - 5 - 2.3/1586=1 HG2 GLU 44 - HA GLU 37 lone 5 94 - 5 - 4.8/6703=2 HB2 GLU 75 - HA GLU 37 lone 5 92 - 5 - 6573/3.0=1, ~9625=1 HB2 LEU 64 - HA GLU 37 lone 4 84 - 5 - 6582/3.6=1 HB3 GLU 69 - HA GLU 37 lone 3 100 - 3 - HB2 GLU 69 - HA GLU 37 lone 3 100 - 3 - HB VAL 83 - HA GLU 37 lone 3 84 - 3 - HG2 GLU 69 - HA GLU 37 lone 2 100 - 2 - HG2 GLU 88 - HA GLU 37 lone 1 73 - 2 - Peak 1581 from cnoeabs.peaks (2.26, 3.71, 58.70 ppm; 3.68 A): 1 out of 6 assignments used, quality = 0.97: * HG2 GLU 37 + HA GLU 37 OK 97 100 - 97 - 3.9=85, 1.8/1609=26...(16) HG2 GLU 62 - HA GLU 37 OK 44 99 - 45 - 1598/3.0=6, 1591/3.0=6...(13) HG3 GLU 62 - HA GLU 37 OK 44 99 - 45 - 1598/3.0=6, 1591/3.0=6...(13) HG2 GLU 23 - HA GLU 37 lone 7 87 - 7 - 6574/3.0=1, 6583/3.6=1 HG2 GLU 95 - HA GLU 37 lone 5 84 - 6 - 6574/3.0=1 HG2 GLU 17 - HA GLU 37 lone 3 81 - 3 - Peak 1582 from cnoeabs.peaks (2.11, 3.71, 58.70 ppm; 3.04 A): 2 out of 11 assignments used, quality = 0.95: * HG3 GLU 37 + HA GLU 37 OK 80 100 - 80 - 3.9=48, 1614/3.6=13...(16) HB3 GLU 37 + HA GLU 37 OK 73 73 - 100 - 3.0=100 HB3 PRO 86 - HA GLU 37 lone 7 99 - 7 - 2.3/1586=1, 6575/3.0=1 HB2 LEU 64 - HA GLU 37 lone 6 100 - 6 - 6584/3.6=2, 6575/3.0=1 HB2 PRO 86 - HA GLU 37 lone 5 92 - 5 - 2.3/1586=1 HB VAL 83 - HA GLU 37 lone 4 100 - 4 - QE MET 21 - HA GLU 37 lone 2 90 - 2 - HG3 GLU 104 - HA GLU 37 lone 1 87 - 2 - HB2 GLU 69 - HA GLU 37 lone 1 70 - 2 - HB3 GLU 69 - HA GLU 37 lone 1 70 - 2 - HG2 GLU 69 - HA GLU 37 lone 1 70 - 1 - Peak 1583 from cnoeabs.peaks (7.53, 3.71, 58.70 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + HA GLU 37 OK 100 100 - 100 - 3.6=100 Peak 1584 from cnoeabs.peaks (7.63, 3.71, 58.70 ppm; 3.76 A): 1 out of 3 assignments used, quality = 0.73: * H LYS 40 + HA GLU 37 OK 73 100 - 73 - 6616/3.6=23, 6615=23...(14) HE22 GLN 50 - HA GLU 37 lone 9 94 - 9 - 6592/3.6=3, 1783/1585=1 H GLU 48 - HA GLU 37 poor 8 70 - 11 - 6592/3.6=2, 4.7/1579=1 Peak 1585 from cnoeabs.peaks (1.65, 3.71, 58.70 ppm; 3.22 A): 2 out of 10 assignments used, quality = 0.65: * HB2 LYS 40 + HA GLU 37 OK 61 100 - 61 - 1782=15, 1.8/1586=14...(15) HB ILE 76 + HA GLU 37 OK 12 100 - 12 - 3.2/10878=2, ~8837=2, ~9626=1 HB3 LEU 6 - HA GLU 37 lone 10 100 - 10 - ~8830=3, 1.8/8835=3, ~8838=1 HD3 LYS 39 - HA GLU 37 lone 9 99 - 9 - 6.0/6595=3, 6625/1584=2 HD2 LYS 39 - HA GLU 37 lone 8 96 - 8 - 6.0/6595=3, 6624/1584=1 HG2 LYS 68 - HA GLU 37 lone 5 99 - 5 - HD3 LYS 73 - HA GLU 37 lone 5 61 - 7 - 1.8/1586=1, ~3281=1 HD3 LYS 68 - HA GLU 37 lone 4 99 - 4 - HD2 LYS 68 - HA GLU 37 lone 4 98 - 4 - HB3 ARG 79 - HA GLU 37 lone 1 96 - 1 - Peak 1586 from cnoeabs.peaks (1.68, 3.71, 58.70 ppm; 3.18 A): 2 out of 23 assignments used, quality = 0.70: * HB3 LYS 40 + HA GLU 37 OK 66 100 - 66 - 1.8/1585=18, 1794=16...(18) HB3 ARG 91 + HA GLU 37 OK 10 100 - 10 - 8852/3.6=2 HG LEU 70 - HA GLU 37 poor 8 77 - 10 - ~8837=2, ~8840=2 HG3 LYS 20 - HA GLU 37 lone 7 94 - 8 - 1.8/12310=1 HD2 LYS 20 - HA GLU 37 lone 7 98 - 7 - HB3 LYS 53 - HA GLU 37 lone 7 100 - 7 - HB ILE 52 - HA GLU 37 lone 7 84 - 8 - 8852/3.6=1 HG2 PRO 86 - HA GLU 37 lone 7 94 - 7 - 2.3/1582=1 HD2 LYS 73 - HA GLU 37 lone 7 73 - 9 - 1.8/1585=1, 8828/3.0=1, ~3281=1 HD2 LYS 47 - HA GLU 37 lone 6 100 - 6 - HD3 LYS 47 - HA GLU 37 lone 6 100 - 6 - HD3 LYS 20 - HA GLU 37 lone 6 94 - 7 - HD3 LYS 73 - HA GLU 37 lone 5 65 - 7 - 8828/3.0=1, ~3281=1 HG12 ILE 15 - HA GLU 37 lone 3 92 - 3 - HD2 LYS 24 - HA GLU 37 lone 2 87 - 2 - HD3 LYS 24 - HA GLU 37 lone 2 84 - 2 - HD3 LYS 12 - HA GLU 37 lone 1 70 - 2 - HD2 LYS 12 - HA GLU 37 lone 1 70 - 2 - HD3 LYS 90 - HA GLU 37 lone 1 84 - 2 - HB2 LEU 2 - HA GLU 37 lone 1 65 - 2 - HD2 LYS 13 - HA GLU 37 lone 1 70 - 1 - HD3 LYS 13 - HA GLU 37 lone 1 61 - 1 - HD3 LYS 66 - HA GLU 37 lone 1 65 - 1 - Peak 1587 from cnoeabs.peaks (7.74, 1.98, 30.20 ppm; 3.82 A): 1 out of 5 assignments used, quality = 0.96: * H GLU 37 + HB2 GLU 37 OK 96 100 - 96 - 4.1=84, 1594/1.8=24...(16) H MET 74 - HB2 GLU 37 OK 43 99 - 44 - 1594/1.8=10, 1608/3.0=7...(12) H ASN 60 - HB2 GLU 37 lone 9 90 - 10 - 1594/1.8=2, 1608/3.0=2...(4) H SER 49 - HB2 GLU 37 poor 8 73 - 10 - 1594/1.8=1, 3.6/8823=1 H VAL 78 - HB2 GLU 37 lone 7 84 - 8 - 1594/1.8=2, 1608/3.0=1 Peak 1588 from cnoeabs.peaks (3.71, 1.98, 30.20 ppm; 3.59 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 37 + HB2 GLU 37 OK 100 100 - 100 - 3.0=100 HA LEU 42 + HB2 GLU 37 OK 49 99 - 50 - 10343=11, 10345/3.0=10...(13) HA3 GLY 100 - HB2 GLU 37 OK 16 97 - 16 - 1595/1.8=4, 1609/3.0=2...(7) Peak 1589 from cnoeabs.peaks (1.98, 1.98, 30.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 37 + HB2 GLU 37 OK 100 100 - 100 Peak 1590 from cnoeabs.peaks (2.13, 1.98, 30.20 ppm; 2.75 A): 2 out of 11 assignments used, quality = 1.00: * HB3 GLU 37 + HB2 GLU 37 OK 100 100 - 100 - 1.8=100 HG3 GLU 37 + HB2 GLU 37 OK 62 73 - 84 - 3.0=76, ~1604=6...(10) HB2 PRO 86 - HB2 GLU 37 lone 4 98 - 4 - HB2 GLU 75 - HB2 GLU 37 lone 4 92 - 4 - HB2 LEU 64 - HB2 GLU 37 lone 3 84 - 4 - HB VAL 83 - HB2 GLU 37 lone 2 84 - 3 - HG2 GLU 44 - HB2 GLU 37 lone 2 94 - 2 - HB2 GLU 69 - HB2 GLU 37 lone 2 100 - 2 - HB3 GLU 69 - HB2 GLU 37 lone 2 100 - 2 - HG2 GLU 69 - HB2 GLU 37 lone 1 100 - 1 - HG2 GLU 88 - HB2 GLU 37 lone 1 73 - 1 - Peak 1591 from cnoeabs.peaks (2.26, 1.98, 30.20 ppm; 3.76 A): 3 out of 6 assignments used, quality = 1.00: * HG2 GLU 37 + HB2 GLU 37 OK 100 100 - 100 - 3.0=100 HG2 GLU 62 + HB2 GLU 37 OK 49 99 - 50 - 1598/1.8=9, 1581/3.0=6...(15) HG3 GLU 62 + HB2 GLU 37 OK 49 99 - 50 - 1598/1.8=9, 1581/3.0=6...(15) HG2 GLU 23 - HB2 GLU 37 lone 6 87 - 7 - 1598/1.8=1, 1581/3.0=1 HG2 GLU 95 - HB2 GLU 37 lone 6 84 - 7 - 8754/8752=1, 1598/1.8=1 HG2 GLU 17 - HB2 GLU 37 lone 3 81 - 4 - Peak 1592 from cnoeabs.peaks (2.11, 1.98, 30.20 ppm; 2.75 A): 2 out of 11 assignments used, quality = 0.96: * HG3 GLU 37 + HB2 GLU 37 OK 86 100 - 86 - 3.0=76, 1609/3.0=11...(10) HB3 GLU 37 + HB2 GLU 37 OK 73 73 - 100 - 1.8=100 HB3 PRO 86 - HB2 GLU 37 lone 5 99 - 5 - HB2 LEU 64 - HB2 GLU 37 lone 5 100 - 4 - HB2 PRO 86 - HB2 GLU 37 lone 4 92 - 4 - HB VAL 83 - HB2 GLU 37 lone 4 100 - 4 - QE MET 21 - HB2 GLU 37 lone 2 90 - 3 - HG3 GLU 104 - HB2 GLU 37 lone 1 87 - 1 - HB2 GLU 69 - HB2 GLU 37 lone 1 70 - 1 - HB3 GLU 69 - HB2 GLU 37 lone 1 70 - 1 - HG2 GLU 69 - HB2 GLU 37 lone 1 70 - 1 - Peak 1593 from cnoeabs.peaks (7.53, 1.98, 30.20 ppm; 4.16 A): 1 out of 1 assignment used, quality = 0.95: * H LEU 38 + HB2 GLU 37 OK 95 100 - 95 - 4.6=73, 1600/1.8=38...(13) Peak 1594 from cnoeabs.peaks (7.74, 2.13, 30.20 ppm; 3.67 A): 2 out of 5 assignments used, quality = 0.96: * H GLU 37 + HB3 GLU 37 OK 93 100 - 93 - 4.1=74, 6572/1.8=23...(16) H MET 74 + HB3 GLU 37 OK 41 99 - 42 - 1587/1.8=9, 1608/3.0=7...(13) H ASN 60 - HB3 GLU 37 lone 9 90 - 9 - 1587/1.8=2, 1608/3.0=2...(4) H VAL 78 - HB3 GLU 37 lone 6 84 - 8 - 1587/1.8=2, 1608/3.0=1 H SER 49 - HB3 GLU 37 lone 5 73 - 7 - 1587/1.8=2, 1577/3.0=1 Peak 1595 from cnoeabs.peaks (3.71, 2.13, 30.20 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 37 + HB3 GLU 37 OK 100 100 - 100 - 3.0=100 HA LEU 42 - HB3 GLU 37 OK 43 99 - 43 - 1588/1.8=11...(11) HA3 GLY 100 - HB3 GLU 37 OK 16 97 - 16 - 1588/1.8=4, 1609/3.0=3...(7) Peak 1596 from cnoeabs.peaks (1.98, 2.13, 30.20 ppm; 2.90 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLU 37 + HB3 GLU 37 OK 100 100 - 100 - 1.8=100 HB3 MET 74 - HB3 GLU 37 OK 16 77 - 22 - 4.0/1594=3, 1579/3.0=3...(11) HB2 ARG 46 - HB3 GLU 37 OK 10 100 - 10 - 1579/3.0=2, 6581/4.6=1...(4) HB2 LYS 47 - HB3 GLU 37 lone 5 94 - 5 - 1579/3.0=1 HB3 ARG 46 - HB3 GLU 37 lone 5 65 - 7 - QE MET 1 - HB3 GLU 37 lone 5 100 - 4 - HB2 LYS 24 - HB3 GLU 37 lone 3 77 - 4 - HB3 LYS 24 - HB3 GLU 37 lone 3 77 - 4 - Peak 1597 from cnoeabs.peaks (2.13, 2.13, 30.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 37 + HB3 GLU 37 OK 100 100 - 100 Peak 1598 from cnoeabs.peaks (2.26, 2.13, 30.20 ppm; 3.31 A): 1 out of 6 assignments used, quality = 1.00: * HG2 GLU 37 + HB3 GLU 37 OK 100 100 - 100 - 3.0=100 HG2 GLU 62 - HB3 GLU 37 OK 39 99 - 40 - 1591/1.8=7, 1581/3.0=5...(12) HG3 GLU 62 - HB3 GLU 37 OK 39 99 - 40 - 1591/1.8=7, 1581/3.0=5...(12) HG2 GLU 23 - HB3 GLU 37 lone 5 87 - 5 - HG2 GLU 95 - HB3 GLU 37 lone 5 84 - 5 - 8754/8753=1 HG2 GLU 17 - HB3 GLU 37 lone 3 81 - 3 - Peak 1599 from cnoeabs.peaks (2.11, 2.13, 30.20 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: HB3 GLU 37 + HB3 GLU 37 OK 73 73 - 100 Reference assignment not found: HG3 GLU 37 - HB3 GLU 37 Peak 1600 from cnoeabs.peaks (7.53, 2.13, 30.20 ppm; 4.15 A): 1 out of 1 assignment used, quality = 0.95: * H LEU 38 + HB3 GLU 37 OK 95 100 - 95 - 4.6=72, 1593/1.8=38...(14) Peak 1601 from cnoeabs.peaks (7.74, 2.26, 36.95 ppm; 3.71 A): 4 out of 15 assignments used, quality = 0.94: * H GLU 37 + HG2 GLU 37 OK 84 100 - 84 - 5.0=42, 6575/1.8=21...(14) H MET 74 + HG2 GLU 37 OK 37 99 - 38 - 1608/1.8=9, 1594/3.0=7...(10) H GLU 37 + HG3 GLU 62 OK 25 62 - 41 - 6574=10, 6574/1.8=8...(10) H GLU 37 + HG2 GLU 62 OK 25 62 - 41 - 6574=10, 6574/1.8=8...(10) H ASN 60 - HG2 GLU 37 lone 7 90 - 8 - 1608/1.8=2, 1594/3.0=2...(4) H VAL 78 - HG2 GLU 37 lone 6 84 - 7 - 1608/1.8=2, 1594/3.0=1 H SER 49 - HG2 GLU 37 lone 5 73 - 6 - 1587/3.0=1, 1608/1.8=1 H ASN 60 - HG3 GLU 62 lone 5 50 - 9 - 9435/4.9=6 H ASN 60 - HG2 GLU 62 lone 5 50 - 9 - 9435/4.9=6 H MET 74 - HG3 GLU 62 lone 4 59 - 6 - H MET 74 - HG2 GLU 62 lone 4 59 - 6 - H SER 49 - HG2 GLU 62 lone 1 38 - 3 - H SER 49 - HG3 GLU 62 lone 1 38 - 3 - H VAL 78 - HG3 GLU 62 lone 1 45 - 1 - H VAL 78 - HG2 GLU 62 lone 1 45 - 1 - Peak 1602 from cnoeabs.peaks (3.71, 2.26, 36.95 ppm; 3.76 A): 1 out of 9 assignments used, quality = 0.98: * HA GLU 37 + HG2 GLU 37 OK 98 100 - 98 - 3.9=91, 1609/1.8=27...(16) HA LEU 42 - HG2 GLU 37 OK 42 99 - 43 - 10345=16, 1609/1.8=9...(7) HA GLU 37 - HG3 GLU 62 OK 31 62 - 51 - 1581=11, 1581/1.8=8...(13) HA GLU 37 - HG2 GLU 62 OK 31 62 - 51 - 1581=11, 1581/1.8=8...(13) HA3 GLY 100 - HG2 GLU 37 OK 13 97 - 13 - 1609/1.8=4, 1595/3.0=3...(4) HA LEU 42 - HG3 GLU 62 poor 8 60 - 13 - 10345=4, 10345/1.8=4 HA LEU 42 - HG2 GLU 62 poor 8 60 - 13 - 10345=4, 10345/1.8=4 HA3 GLY 100 - HG3 GLU 62 lone 4 57 - 7 - 10097/4.0=2, 10106/2.9=1 HA3 GLY 100 - HG2 GLU 62 lone 4 57 - 7 - 10097/4.0=2, 10106/2.9=1 Peak 1603 from cnoeabs.peaks (1.98, 2.26, 36.95 ppm; 3.23 A): 1 out of 24 assignments used, quality = 1.00: * HB2 GLU 37 + HG2 GLU 37 OK 100 100 - 100 - 3.0=100 HB2 GLU 37 - HG2 GLU 62 OK 26 62 - 42 - 1591=7, 1.8/1598=7...(12) HB2 GLU 37 - HG3 GLU 62 OK 26 62 - 42 - 1591=7, 1.8/1598=7...(12) HB3 MET 74 - HG2 GLU 37 OK 17 77 - 22 - 1610/1.8=4, 1596/3.0=3...(9) HB2 ARG 46 - HG2 GLU 37 OK 10 100 - 10 - 1610/1.8=2, 1596/3.0=2 HB2 LYS 47 - HG2 GLU 37 lone 6 94 - 6 - 1610/1.8=2, 1579/3.9=1 QE MET 1 - HG2 GLU 37 lone 5 100 - 5 - 1610/1.8=1 HB3 ARG 46 - HG2 GLU 37 lone 5 65 - 8 - ~1610=1, 1610/1.8=1 HB3 LYS 24 - HG2 GLU 37 lone 3 77 - 4 - HB2 LYS 24 - HG2 GLU 37 lone 3 77 - 4 - HB3 MET 74 - HG2 GLU 62 lone 2 41 - 4 - HB3 MET 74 - HG3 GLU 62 lone 2 41 - 4 - QE MET 1 - HG3 GLU 62 lone 1 62 - 2 - QE MET 1 - HG2 GLU 62 lone 1 62 - 2 - HB2 LYS 24 - HG3 GLU 62 lone 1 41 - 2 - HB2 LYS 24 - HG2 GLU 62 lone 1 41 - 2 - HB3 LYS 24 - HG3 GLU 62 lone 1 41 - 2 - HB3 LYS 24 - HG2 GLU 62 lone 1 41 - 2 - HB2 ARG 46 - HG3 GLU 62 lone 1 61 - 1 - HB2 ARG 46 - HG2 GLU 62 lone 1 61 - 1 - HB2 LYS 47 - HG3 GLU 62 lone 1 54 - 1 - HB2 LYS 47 - HG2 GLU 62 lone 1 54 - 1 - HB3 ARG 46 - HG3 GLU 62 lone 0 34 - 1 - HB3 ARG 46 - HG2 GLU 62 lone 0 34 - 1 - Peak 1604 from cnoeabs.peaks (2.13, 2.26, 36.95 ppm; 2.46 A): 4 out of 33 assignments used, quality = 0.94: HG3 GLU 37 + HG2 GLU 37 OK 73 73 - 100 - 1.8=100 * HB3 GLU 37 + HG2 GLU 37 OK 69 100 - 69 - 3.0=54, ~1592=6...(11) HB3 GLU 37 + HG3 GLU 62 OK 15 62 - 25 - 1598=4, 1598/1.8=4...(10) HB3 GLU 37 + HG2 GLU 62 OK 15 62 - 25 - 1598=4, 1598/1.8=4...(10) HG3 GLU 37 - HG3 GLU 62 poor 7 38 - 19 - 1612=3, 3.0/1598=3...(8) HG3 GLU 37 - HG2 GLU 62 poor 7 38 - 19 - 1612=3, 3.0/1598=3...(8) HB2 PRO 86 - HG2 GLU 37 lone 3 98 - 3 - HB2 LEU 64 - HG2 GLU 37 lone 2 84 - 3 - HB VAL 83 - HG2 GLU 37 lone 2 84 - 2 - HB2 GLU 75 - HG2 GLU 37 lone 1 92 - 2 - HG2 GLU 44 - HG2 GLU 37 lone 1 94 - 1 - HB3 GLU 69 - HG2 GLU 37 lone 1 100 - 1 - HB2 GLU 69 - HG2 GLU 37 lone 1 100 - 1 - HG2 GLU 69 - HG2 GLU 37 lone 1 100 - 1 - HG2 GLU 88 - HG2 GLU 37 lone 1 73 - 1 - HB2 PRO 86 - HG2 GLU 62 lone 0 58 - 1 - HB2 PRO 86 - HG3 GLU 62 lone 0 58 - 1 - HG2 GLU 88 - HG3 GLU 62 lone 0 38 - 1 - HG2 GLU 88 - HG2 GLU 62 lone 0 38 - 1 - HG2 GLU 44 - HG3 GLU 62 lone 0 54 - 0 - HG2 GLU 44 - HG2 GLU 62 lone 0 54 - 0 - HB2 LEU 64 - HG2 GLU 62 lone 0 45 - 1 - HB2 LEU 64 - HG3 GLU 62 lone 0 45 - 1 - HB3 GLU 69 - HG3 GLU 62 lone 0 62 - 0 - HB3 GLU 69 - HG2 GLU 62 lone 0 62 - 0 - HB2 GLU 69 - HG2 GLU 62 lone 0 62 - 0 - HB2 GLU 69 - HG3 GLU 62 lone 0 62 - 0 - HB VAL 83 - HG2 GLU 62 lone 0 45 - 0 - HB VAL 83 - HG3 GLU 62 lone 0 45 - 0 - HG2 GLU 69 - HG3 GLU 62 lone 0 62 - 0 - HG2 GLU 69 - HG2 GLU 62 lone 0 62 - 0 - HB2 GLU 75 - HG3 GLU 62 lone 0 52 - 0 - HB2 GLU 75 - HG2 GLU 62 lone 0 52 - 0 - Peak 1605 from cnoeabs.peaks (2.26, 2.26, 36.95 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLU 37 + HG2 GLU 37 OK 100 100 - 100 HG3 GLU 62 + HG3 GLU 62 OK 59 59 - 100 HG2 GLU 62 + HG2 GLU 62 OK 59 59 - 100 Peak 1606 from cnoeabs.peaks (2.11, 2.26, 36.95 ppm; 2.46 A): 2 out of 33 assignments used, quality = 1.00: * HG3 GLU 37 + HG2 GLU 37 OK 100 100 - 100 - 1.8=100 HB3 GLU 37 + HG2 GLU 37 OK 50 73 - 68 - 3.0=54, ~1592=6...(9) HG3 GLU 37 - HG3 GLU 62 OK 14 62 - 23 - 1612=6, 1612/1.8=4...(8) HG3 GLU 37 - HG2 GLU 62 OK 14 62 - 23 - 1612=6, 1612/1.8=4...(8) HB3 GLU 37 - HG3 GLU 62 poor 8 38 - 22 - 1.8/1591=3, 3.0/1581=3...(10) HB3 GLU 37 - HG2 GLU 62 poor 8 38 - 22 - 1.8/1591=3, 3.0/1581=3...(10) HB3 PRO 86 - HG2 GLU 37 lone 3 99 - 3 - HB2 LEU 64 - HG2 GLU 37 lone 3 100 - 3 - HB2 PRO 86 - HG2 GLU 37 lone 3 92 - 3 - HB VAL 83 - HG2 GLU 37 lone 2 100 - 2 - HG3 GLU 104 - HG3 GLU 62 lone 2 48 - 5 - 4543/4.0=1 HG3 GLU 104 - HG2 GLU 62 lone 2 48 - 5 - 4543/4.0=1 HB2 LEU 64 - HG2 GLU 62 lone 2 61 - 3 - 10250/4.9=2 HB2 LEU 64 - HG3 GLU 62 lone 2 61 - 3 - 10250/4.9=2 QE MET 21 - HG2 GLU 37 lone 1 90 - 2 - HG3 GLU 104 - HG2 GLU 37 lone 1 87 - 1 - HB3 PRO 86 - HG2 GLU 62 lone 1 59 - 1 - HB3 PRO 86 - HG3 GLU 62 lone 1 59 - 1 - HB3 GLU 69 - HG2 GLU 37 lone 0 70 - 1 - HB2 GLU 69 - HG2 GLU 37 lone 0 70 - 1 - QE MET 21 - HG2 GLU 62 lone 0 50 - 1 - QE MET 21 - HG3 GLU 62 lone 0 50 - 1 - HB2 PRO 86 - HG2 GLU 62 lone 0 52 - 1 - HB2 PRO 86 - HG3 GLU 62 lone 0 52 - 1 - HG2 GLU 69 - HG2 GLU 37 lone 0 70 - 0 - HB VAL 83 - HG2 GLU 62 lone 0 61 - 1 - HB VAL 83 - HG3 GLU 62 lone 0 61 - 1 - HB3 GLU 69 - HG2 GLU 62 lone 0 36 - 0 - HB2 GLU 69 - HG3 GLU 62 lone 0 36 - 0 - HB2 GLU 69 - HG2 GLU 62 lone 0 36 - 0 - HB3 GLU 69 - HG3 GLU 62 lone 0 36 - 0 - HG2 GLU 69 - HG3 GLU 62 lone 0 36 - 0 - HG2 GLU 69 - HG2 GLU 62 lone 0 36 - 0 - Peak 1607 from cnoeabs.peaks (7.53, 2.26, 36.95 ppm; 4.83 A): 2 out of 3 assignments used, quality = 0.96: * H LEU 38 + HG2 GLU 37 OK 94 100 - 94 - 1614/1.8=45, 1600/3.0=39...(14) H LEU 38 + HG3 GLU 62 OK 29 62 - 48 - 6583=10, 6583/1.8=9...(10) H LEU 38 - HG2 GLU 62 OK 29 62 - 48 - 6583=10, 6583/1.8=9...(10) Peak 1608 from cnoeabs.peaks (7.74, 2.11, 36.95 ppm; 3.89 A): 2 out of 5 assignments used, quality = 0.94: * H GLU 37 + HG3 GLU 37 OK 90 100 - 90 - 5.0=48, 6574/1.8=23...(18) H MET 74 + HG3 GLU 37 OK 41 99 - 42 - 1594/3.0=8, 1587/3.0=8...(11) H ASN 60 - HG3 GLU 37 poor 10 90 - 11 - 1594/3.0=2, 1587/3.0=2...(4) H VAL 78 - HG3 GLU 37 lone 7 84 - 8 - 1594/3.0=1, 1587/3.0=1...(4) H SER 49 - HG3 GLU 37 lone 5 73 - 6 - 1587/3.0=1, 1594/3.0=1 Peak 1609 from cnoeabs.peaks (3.71, 2.11, 36.95 ppm; 3.56 A): 1 out of 3 assignments used, quality = 0.94: * HA GLU 37 + HG3 GLU 37 OK 94 100 - 95 - 3.9=77, 3.6/1614=18...(17) HA LEU 42 - HG3 GLU 37 OK 34 99 - 34 - 10345/1.8=12, 1588/3.0=8...(8) HA3 GLY 100 - HG3 GLU 37 OK 12 97 - 12 - 1595/3.0=3, 1588/3.0=3...(5) Peak 1610 from cnoeabs.peaks (1.98, 2.11, 36.95 ppm; 3.03 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLU 37 + HG3 GLU 37 OK 100 100 - 100 - 3.0=100 HB3 MET 74 - HG3 GLU 37 OK 16 77 - 21 - 4.0/1608=3, 3.0/8827=3...(8) HB2 ARG 46 - HG3 GLU 37 lone 9 100 - 9 - 1596/3.0=2, 1603/1.8=2 HB2 LYS 47 - HG3 GLU 37 lone 6 94 - 6 - QE MET 1 - HG3 GLU 37 lone 5 100 - 5 - HB3 ARG 46 - HG3 GLU 37 lone 4 65 - 6 - HB2 LYS 24 - HG3 GLU 37 lone 3 77 - 4 - HB3 LYS 24 - HG3 GLU 37 lone 3 77 - 4 - Peak 1611 from cnoeabs.peaks (2.13, 2.11, 36.95 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: HG3 GLU 37 + HG3 GLU 37 OK 73 73 - 100 Reference assignment not found: HB3 GLU 37 - HG3 GLU 37 Peak 1612 from cnoeabs.peaks (2.26, 2.11, 36.95 ppm; 2.64 A): 1 out of 6 assignments used, quality = 1.00: * HG2 GLU 37 + HG3 GLU 37 OK 100 100 - 100 - 1.8=100 HG2 GLU 62 - HG3 GLU 37 OK 22 99 - 23 - 1598/3.0=3, 1606=3...(8) HG3 GLU 62 - HG3 GLU 37 OK 22 99 - 23 - 1598/3.0=3, 1606=3...(8) HG2 GLU 23 - HG3 GLU 37 lone 3 87 - 3 - HG2 GLU 95 - HG3 GLU 37 lone 3 84 - 3 - HG2 GLU 17 - HG3 GLU 37 lone 1 81 - 2 - Peak 1613 from cnoeabs.peaks (2.11, 2.11, 36.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 37 + HG3 GLU 37 OK 100 100 - 100 Peak 1614 from cnoeabs.peaks (7.53, 2.11, 36.95 ppm; 4.35 A): 1 out of 1 assignment used, quality = 0.90: * H LEU 38 + HG3 GLU 37 OK 90 100 - 90 - 1600/3.0=33, 1593/3.0=33...(17) Peak 1615 from cnoeabs.peaks (7.53, 3.87, 58.30 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + HA LEU 38 OK 100 100 - 100 - 2.9=100 Peak 1616 from cnoeabs.peaks (3.87, 3.87, 58.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 38 + HA LEU 38 OK 100 100 - 100 Peak 1617 from cnoeabs.peaks (1.46, 3.87, 58.30 ppm; 3.33 A): 2 out of 15 assignments used, quality = 1.00: * HB2 LEU 38 + HA LEU 38 OK 100 100 - 100 - 3.0=100 HG LEU 38 + HA LEU 38 OK 93 99 - 93 - 3.7=75, 2.1/1621=22...(17) HD2 LYS 40 - HA LEU 38 OK 35 94 - 37 - 3.0/1818=4, 3.5/1784=3...(17) HD3 LYS 40 - HA LEU 38 OK 34 92 - 37 - 3.0/1818=4, 3.5/1784=3...(17) HG13 ILE 52 - HA LEU 38 OK 23 100 - 23 - 1642/2.9=3, ~8856=2...(11) HG3 ARG 91 - HA LEU 38 OK 23 100 - 23 - 1642/2.9=3, 1.8/4045=2...(11) HG3 LYS 39 - HA LEU 38 OK 20 81 - 25 - 1713/3.6=5, 3.0/10561=4...(8) HG2 LYS 20 - HA LEU 38 OK 10 100 - 10 - HD2 LYS 82 - HA LEU 38 OK 10 99 - 10 - 10940/3.8=2 HG2 LYS 12 - HA LEU 38 poor 9 92 - 10 - 425/3.6=4 HB2 LEU 27 - HA LEU 38 lone 8 100 - 8 - 3.1/8855=2 HG2 LYS 53 - HA LEU 38 lone 6 96 - 6 - HD2 LYS 53 - HA LEU 38 lone 5 99 - 5 - HG3 LYS 53 - HA LEU 38 lone 5 84 - 6 - HG13 ILE 76 - HA LEU 38 lone 3 61 - 5 - 6607/3.6=1 Peak 1618 from cnoeabs.peaks (2.07, 3.87, 58.30 ppm; 3.69 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LEU 38 + HA LEU 38 OK 100 100 - 100 - 3.0=100 HB3 GLU 43 + HA LEU 38 OK 58 96 - 61 - 1969=8, 3.0/1624=8...(24) HB3 GLU 35 - HA LEU 38 OK 38 96 - 41 - ~12057=5, 6587/2.9=5...(16) HB2 MET 74 - HA LEU 38 OK 34 92 - 37 - 2.9/1625=6, 4.2/9610=4...(16) HB2 GLU 16 - HA LEU 38 OK 16 100 - 16 - 1629/3.0=2, 10420/3.8=1...(7) HB3 GLU 88 - HA LEU 38 OK 15 99 - 15 - 6587/2.9=2, ~8853=1...(5) HB2 GLU 23 - HA LEU 38 poor 9 81 - 11 - 1629/3.0=1, ~10463=1 HB3 GLU 62 - HA LEU 38 lone 6 73 - 9 - ~6583=2, ~1607=2, 6587/2.9=1 HG2 GLU 28 - HA LEU 38 lone 5 94 - 5 - HG3 GLU 28 - HA LEU 38 lone 5 94 - 5 - Peak 1619 from cnoeabs.peaks (1.46, 3.87, 58.30 ppm; 3.33 A): 2 out of 14 assignments used, quality = 1.00: HB2 LEU 38 + HA LEU 38 OK 99 99 - 100 - 3.0=100 * HG LEU 38 + HA LEU 38 OK 93 100 - 93 - 3.7=75, 2.1/1621=22...(17) HD2 LYS 40 - HA LEU 38 OK 37 99 - 38 - 3.0/1818=4, 3.5/1784=3...(17) HD3 LYS 40 - HA LEU 38 OK 36 98 - 37 - 3.0/1818=4, 3.5/1784=3...(17) HG13 ILE 52 - HA LEU 38 OK 23 100 - 23 - 1642/2.9=3, ~8856=2...(11) HG3 ARG 91 - HA LEU 38 OK 22 97 - 23 - 1642/2.9=3, 1.8/4045=2...(11) HG3 LYS 39 - HA LEU 38 OK 15 65 - 23 - 6598/3.6=4, 3.0/10561=4...(8) HD2 LYS 82 - HA LEU 38 OK 10 100 - 10 - 10940/3.8=2 HG2 LYS 20 - HA LEU 38 OK 10 100 - 10 - HB2 LEU 27 - HA LEU 38 lone 8 100 - 8 - 3.1/8855=2 HG2 LYS 12 - HA LEU 38 lone 7 81 - 9 - 425/3.6=3 HG2 LYS 53 - HA LEU 38 lone 7 99 - 7 - HG3 LYS 53 - HA LEU 38 lone 6 94 - 6 - HD2 LYS 53 - HA LEU 38 lone 6 100 - 5 - Peak 1620 from cnoeabs.peaks (0.82, 3.87, 58.30 ppm; 3.02 A): 3 out of 8 assignments used, quality = 0.93: * QD2 LEU 38 + HA LEU 38 OK 81 100 - 81 - 3.8=49, 2.1/1621=19...(16) QG2 VAL 32 + HA LEU 38 OK 42 94 - 45 - 10162=11, ~8937=8...(14) QD2 LEU 103 + HA LEU 38 OK 32 99 - 32 - 2.1/1621=8, 4504/3.8=4...(10) QD1 LEU 70 - HA LEU 38 OK 22 97 - 22 - 9540=4, 2.1/9541=3...(8) QD2 LEU 70 - HA LEU 38 OK 15 77 - 19 - 2.1/9540=3, 6601/3.6=2...(7) QG2 ILE 15 - HA LEU 38 poor 9 84 - 10 - 4.0/1622=2, 6601/3.6=1...(4) QD2 LEU 2 - HA LEU 38 poor 9 81 - 11 - 12040/3.0=2, 2.1/10124=2 QD1 LEU 57 - HA LEU 38 lone 7 99 - 7 - 6589/2.9=1 Peak 1621 from cnoeabs.peaks (0.86, 3.87, 58.30 ppm; 2.93 A): 3 out of 3 assignments used, quality = 0.88: * QD1 LEU 38 + HA LEU 38 OK 77 100 - 77 - 3.8=45, 1658/2.9=13...(18) QD1 LEU 103 + HA LEU 38 OK 32 99 - 32 - 1632/3.0=6, 1640/3.0=6...(10) QD2 LEU 64 + HA LEU 38 OK 22 100 - 22 - 2.1/8855=5, 1632/3.0=4...(7) Peak 1622 from cnoeabs.peaks (8.08, 3.87, 58.30 ppm; 4.47 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 39 + HA LEU 38 OK 100 100 - 100 - 3.6=100 H GLU 75 - HA LEU 38 OK 38 97 - 39 - 6591/2.9=8, 1641/3.0=7...(9) H LYS 13 - HA LEU 38 OK 38 96 - 40 - 1633/3.0=7, 1641/3.0=7...(10) H ILE 15 - HA LEU 38 OK 30 94 - 31 - 1633/3.0=5, 6591/2.9=5...(11) H GLU 17 - HA LEU 38 lone 6 57 - 10 - 4.6/1618=2, 1633/3.0=1 Peak 1623 from cnoeabs.peaks (7.82, 3.87, 58.30 ppm; 4.62 A): 2 out of 4 assignments used, quality = 0.84: * H TYR 41 + HA LEU 38 OK 82 100 - 82 - 8884/2.9=29, 6613/3.6=16...(19) H SER 9 + HA LEU 38 OK 10 87 - 12 - 6613/3.6=2, 1891/1625=1 H ASN 26 - HA LEU 38 poor 9 70 - 13 - 3.8/10481=3, 6613/3.6=2 H LYS 73 - HA LEU 38 poor 8 65 - 13 - 4.7/10858=5, 6613/3.6=3 Peak 1624 from cnoeabs.peaks (2.31, 3.87, 58.30 ppm; 4.45 A): 4 out of 7 assignments used, quality = 0.91: * HB2 TYR 41 + HA LEU 38 OK 68 100 - 68 - 1.8/1625=20, 4.0/1623=18...(9) HG3 GLU 43 + HA LEU 38 OK 64 96 - 67 - 1987/3.0=8, 10549/3.8=8...(22) HD3 ARG 81 + HA LEU 38 OK 13 98 - 13 - 9746/3.8=4, 10549/3.8=3 HG3 GLU 16 + HA LEU 38 OK 10 73 - 14 - 10549/3.8=2, 3.0/1618=2...(5) HB2 GLU 48 - HA LEU 38 lone 5 73 - 7 - 4.0/10622=2 HG2 GLU 63 - HA LEU 38 lone 4 61 - 7 - HG2 GLU 48 - HA LEU 38 lone 3 61 - 5 - 4.9/10622=1 Peak 1625 from cnoeabs.peaks (2.64, 3.87, 58.30 ppm; 4.46 A): 4 out of 4 assignments used, quality = 0.87: * HB3 TYR 41 + HA LEU 38 OK 71 100 - 71 - 8875/3.8=21, 4.0/1623=19...(10) HG3 MET 74 + HA LEU 38 OK 37 77 - 48 - 3.4/9610=7, ~9584=5...(17) HB3 ASP 77 + HA LEU 38 OK 19 100 - 19 - 10548/3.8=5, ~9674=3...(5) HB3 ASP 65 + HA LEU 38 OK 13 100 - 13 - 10548/3.8=4, 9495/3.0=1 Peak 1626 from cnoeabs.peaks (7.53, 1.46, 40.84 ppm; 3.73 A): 1 out of 1 assignment used, quality = 0.99: * H LEU 38 + HB2 LEU 38 OK 99 100 - 99 - 3.8=93, 1634/1.8=38...(19) Peak 1627 from cnoeabs.peaks (3.87, 1.46, 40.84 ppm; 3.68 A): 3 out of 12 assignments used, quality = 1.00: * HA LEU 38 + HB2 LEU 38 OK 100 100 - 100 - 3.0=100 HA LYS 40 + HB2 LEU 38 OK 57 94 - 61 - 1781/1.8=16, 1659/3.1=6...(27) HA GLU 43 + HB2 LEU 38 OK 52 94 - 56 - 3.0/1629=7, 1635/1.8=6...(25) HA GLU 35 - HB2 LEU 38 OK 36 84 - 43 - 12057/3.8=5, 1635/1.8=4...(23) HA ARG 91 - HB2 LEU 38 OK 28 81 - 35 - 3.0/4030=3, 3.0/7445=3...(18) HA2 GLY 100 - HB2 LEU 38 OK 11 96 - 12 - ~8933=2, 1635/1.8=1...(4) HA LYS 94 - HB2 LEU 38 OK 11 96 - 11 - 1635/1.8=1 HB3 SER 49 - HB2 LEU 38 poor 10 70 - 14 - 9071/3.1=2, ~9056=2...(5) HA LYS 12 - HB2 LEU 38 poor 9 61 - 15 - 3.6/1633=4, 6597/4.6=1...(5) HA2 GLY 101 - HB2 LEU 38 lone 8 96 - 8 - HA3 GLY 101 - HB2 LEU 38 lone 4 61 - 6 - HB2 SER 102 - HB2 LEU 38 lone 1 57 - 2 - Peak 1628 from cnoeabs.peaks (1.46, 1.46, 40.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 38 + HB2 LEU 38 OK 100 100 - 100 Peak 1629 from cnoeabs.peaks (2.07, 1.46, 40.84 ppm; 3.28 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LEU 38 + HB2 LEU 38 OK 100 100 - 100 - 1.8=100 HB3 GLU 43 + HB2 LEU 38 OK 56 96 - 59 - 1969/3.0=5, ~1965=5...(28) HB3 GLU 35 - HB2 LEU 38 OK 33 96 - 35 - 1618/3.0=3, 6587/3.8=3...(15) HB2 MET 74 - HB2 LEU 38 OK 21 92 - 23 - 1618/3.0=3, 6587/3.8=2...(13) HB2 GLU 16 - HB2 LEU 38 OK 15 100 - 15 - 10420/3.1=1, 1618/3.0=1...(4) HB3 GLU 88 - HB2 LEU 38 OK 11 99 - 11 - 1618/3.0=1, 1.8/10550=1 HB2 GLU 23 - HB2 LEU 38 OK 11 81 - 14 - 3.0/10463=2, 10462=1 HG3 GLU 28 - HB2 LEU 38 lone 5 94 - 6 - HG2 GLU 28 - HB2 LEU 38 lone 5 94 - 6 - HB3 GLU 62 - HB2 LEU 38 lone 4 73 - 5 - Peak 1630 from cnoeabs.peaks (1.46, 1.46, 40.84 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: HB2 LEU 38 + HB2 LEU 38 OK 99 99 - 100 Reference assignment not found: HG LEU 38 - HB2 LEU 38 Peak 1631 from cnoeabs.peaks (0.82, 1.46, 40.84 ppm; 3.28 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 38 + HB2 LEU 38 OK 100 100 - 100 - 3.1=100 QD2 LEU 103 + HB2 LEU 38 OK 48 99 - 48 - 2.1/1632=9, 4504/3.1=7...(18) QG2 VAL 32 - HB2 LEU 38 OK 36 94 - 39 - 10162/3.0=9, 2.1/8944=8...(12) QD1 LEU 70 - HB2 LEU 38 OK 23 97 - 24 - 1639/1.8=3, 1620/3.0=3...(10) QD2 LEU 70 - HB2 LEU 38 OK 16 77 - 21 - 10278/1.8=2, 1620/3.0=2...(9) QD2 LEU 2 - HB2 LEU 38 OK 14 81 - 17 - 12040=4, 2.1/12039=3...(7) QG2 ILE 15 - HB2 LEU 38 OK 12 84 - 14 - 4.0/1633=2, 1639/1.8=2...(4) QD1 LEU 57 - HB2 LEU 38 lone 9 99 - 9 - 1639/1.8=1, 10698/3.0=1 Peak 1632 from cnoeabs.peaks (0.86, 1.46, 40.84 ppm; 3.39 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 38 + HB2 LEU 38 OK 100 100 - 100 - 3.1=100 QD1 LEU 103 + HB2 LEU 38 OK 53 99 - 54 - 1640/1.8=10, 1656/3.1=8...(18) QD2 LEU 64 - HB2 LEU 38 OK 33 100 - 33 - 1640/1.8=6, 1621/3.0=5...(11) Peak 1633 from cnoeabs.peaks (8.08, 1.46, 40.84 ppm; 4.26 A): 2 out of 5 assignments used, quality = 0.97: * H LYS 39 + HB2 LEU 38 OK 94 100 - 94 - 4.6=78, 6596/3.8=32...(15) H LYS 13 + HB2 LEU 38 OK 42 96 - 44 - 1641/1.8=8, ~8385=6...(14) H GLU 75 - HB2 LEU 38 OK 30 97 - 31 - 1641/1.8=8, 6591/3.8=6...(7) H ILE 15 - HB2 LEU 38 OK 28 94 - 30 - 1641/1.8=5, 1622/3.0=4...(11) H GLU 17 - HB2 LEU 38 poor 7 57 - 12 - 4.6/12063=2, 4.6/1629=2...(4) Peak 1634 from cnoeabs.peaks (7.53, 2.07, 40.84 ppm; 3.68 A): 1 out of 1 assignment used, quality = 0.98: * H LEU 38 + HB3 LEU 38 OK 98 100 - 98 - 3.8=89, 1626/1.8=36...(15) Peak 1635 from cnoeabs.peaks (3.87, 2.07, 40.84 ppm; 3.59 A): 3 out of 12 assignments used, quality = 1.00: * HA LEU 38 + HB3 LEU 38 OK 100 100 - 100 - 3.0=100 HA LYS 40 + HB3 LEU 38 OK 53 94 - 57 - 1781=16, 1627/1.8=6...(23) HA GLU 43 + HB3 LEU 38 OK 52 94 - 56 - 3.0/1965=6, 1627/1.8=6...(26) HA GLU 35 - HB3 LEU 38 OK 34 84 - 40 - 12057/3.8=5, 1627/1.8=4...(19) HA ARG 91 - HB3 LEU 38 OK 21 81 - 26 - 1627/1.8=3, 12057/3.8=2...(12) HA LYS 94 - HB3 LEU 38 OK 11 96 - 11 - 1627/1.8=1 HA2 GLY 100 - HB3 LEU 38 OK 10 96 - 10 - ~8933=2, 1627/1.8=1 HA LYS 12 - HB3 LEU 38 poor 9 61 - 14 - 3.6/1641=4, 3.0/10546=1...(5) HB3 SER 49 - HB3 LEU 38 poor 8 70 - 11 - 9071/3.1=2, ~9056=2...(4) HA2 GLY 101 - HB3 LEU 38 lone 7 96 - 7 - HA3 GLY 101 - HB3 LEU 38 lone 3 61 - 5 - HB2 SER 102 - HB3 LEU 38 lone 1 57 - 1 - Peak 1636 from cnoeabs.peaks (1.46, 2.07, 40.84 ppm; 3.00 A): 2 out of 15 assignments used, quality = 1.00: * HB2 LEU 38 + HB3 LEU 38 OK 100 100 - 100 - 1.8=100 HG LEU 38 + HB3 LEU 38 OK 99 99 - 100 - 3.0=100 HD2 LYS 40 - HB3 LEU 38 OK 27 94 - 29 - 5.2/1781=3, 1619/3.0=2...(11) HD3 LYS 40 - HB3 LEU 38 OK 27 92 - 29 - 5.2/1781=3, 1619/3.0=2...(12) HG13 ILE 52 - HB3 LEU 38 OK 23 100 - 23 - ~8856=3, 2.1/8857=3...(11) HG3 ARG 91 - HB3 LEU 38 OK 22 100 - 22 - 1642/3.8=2, ~4049=2...(12) HG3 LYS 39 - HB3 LEU 38 OK 15 81 - 19 - 5.2/1641=4, 3.0/10545=2...(7) HD2 LYS 82 - HB3 LEU 38 OK 12 99 - 12 - ~10942=2, 10940/3.1=2, ~12331=2 HG2 LYS 20 - HB3 LEU 38 OK 11 100 - 11 - 3.0/10546=1 HG2 LYS 12 - HB3 LEU 38 lone 8 92 - 8 - 425/4.6=2 HB2 LEU 27 - HB3 LEU 38 lone 5 100 - 5 - HG2 LYS 53 - HB3 LEU 38 lone 5 96 - 5 - HG3 LYS 53 - HB3 LEU 38 lone 4 84 - 5 - HD2 LYS 53 - HB3 LEU 38 lone 4 99 - 3 - HG13 ILE 76 - HB3 LEU 38 lone 2 61 - 4 - Peak 1637 from cnoeabs.peaks (2.07, 2.07, 40.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 38 + HB3 LEU 38 OK 100 100 - 100 Peak 1638 from cnoeabs.peaks (1.46, 2.07, 40.84 ppm; 3.00 A): 2 out of 14 assignments used, quality = 1.00: * HG LEU 38 + HB3 LEU 38 OK 100 100 - 100 - 3.0=100 HB2 LEU 38 + HB3 LEU 38 OK 99 99 - 100 - 1.8=100 HD2 LYS 40 - HB3 LEU 38 OK 29 99 - 29 - 5.2/1781=3, 1619/3.0=2...(11) HD3 LYS 40 - HB3 LEU 38 OK 29 98 - 29 - 5.2/1781=3, 1619/3.0=2...(12) HG13 ILE 52 - HB3 LEU 38 OK 23 100 - 23 - ~8856=3, 2.1/8857=3...(11) HG3 ARG 91 - HB3 LEU 38 OK 22 97 - 22 - 1642/3.8=2, ~4049=2...(12) HG3 LYS 39 - HB3 LEU 38 OK 12 65 - 19 - 5.2/1641=4, 3.0/10545=2...(7) HD2 LYS 82 - HB3 LEU 38 OK 12 100 - 12 - ~10942=2, 10940/3.1=2, ~12331=2 HG2 LYS 20 - HB3 LEU 38 OK 11 100 - 11 - 3.0/10546=1 HG2 LYS 12 - HB3 LEU 38 lone 6 81 - 8 - 425/4.6=2 HB2 LEU 27 - HB3 LEU 38 lone 5 100 - 5 - HG2 LYS 53 - HB3 LEU 38 lone 5 99 - 5 - HG3 LYS 53 - HB3 LEU 38 lone 4 94 - 5 - HD2 LYS 53 - HB3 LEU 38 lone 4 100 - 4 - Peak 1639 from cnoeabs.peaks (0.82, 2.07, 40.84 ppm; 3.27 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 38 + HB3 LEU 38 OK 100 100 - 100 - 3.1=100 QD2 LEU 103 + HB3 LEU 38 OK 47 99 - 48 - 2.1/1640=9, 4504/3.1=7...(18) QG2 VAL 32 - HB3 LEU 38 OK 33 94 - 35 - 10162/3.0=9, 1631/1.8=5...(11) QD1 LEU 70 - HB3 LEU 38 OK 23 97 - 23 - 1631/1.8=3, 1620/3.0=3...(10) QD2 LEU 70 - HB3 LEU 38 OK 16 77 - 21 - 1631/1.8=2, 1620/3.0=2...(10) QG2 ILE 15 - HB3 LEU 38 OK 11 84 - 13 - 4.0/1641=2, 1631/1.8=2...(5) QD2 LEU 2 - HB3 LEU 38 OK 11 81 - 13 - 12040/1.8=3, 12040/3.0=2...(5) QD1 LEU 57 - HB3 LEU 38 lone 9 99 - 9 - 1631/1.8=1, 10698/3.0=1 Peak 1640 from cnoeabs.peaks (0.86, 2.07, 40.84 ppm; 3.45 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 38 + HB3 LEU 38 OK 100 100 - 100 - 3.1=100 QD1 LEU 103 + HB3 LEU 38 OK 54 99 - 55 - 1632/1.8=10, 1656/3.1=8...(18) QD2 LEU 64 - HB3 LEU 38 OK 33 100 - 33 - 1632/1.8=7, 1621/3.0=5...(11) Peak 1641 from cnoeabs.peaks (8.08, 2.07, 40.84 ppm; 4.01 A): 3 out of 5 assignments used, quality = 0.95: * H LYS 39 + HB3 LEU 38 OK 89 100 - 89 - 4.6=65, 6596/3.8=28...(12) H LYS 13 + HB3 LEU 38 OK 36 96 - 38 - 1633/1.8=7, 2.9/493=6...(11) H GLU 75 + HB3 LEU 38 OK 35 97 - 36 - 6591/3.8=5, 1633/1.8=5...(13) H ILE 15 - HB3 LEU 38 OK 24 94 - 25 - 1633/1.8=5, 1622/3.0=4...(9) H GLU 17 - HB3 LEU 38 poor 6 57 - 10 - 4.6/6237=1, 3.6/687=1 Peak 1642 from cnoeabs.peaks (7.53, 1.46, 27.00 ppm; 4.10 A): 1 out of 3 assignments used, quality = 0.94: * H LEU 38 + HG LEU 38 OK 94 100 - 94 - 5.3=47, 1634/3.0=34...(18) H LEU 38 - HG3 ARG 91 OK 20 68 - 29 - 12057/4.0=5, 8852/2.8=4...(12) H LEU 38 - HG13 ILE 52 OK 19 91 - 21 - 4.5/1648=3, 8852/3.0=3...(9) Peak 1643 from cnoeabs.peaks (3.87, 1.46, 27.00 ppm; 3.71 A): 2 out of 36 assignments used, quality = 1.00: * HA LEU 38 + HG LEU 38 OK 100 100 - 100 - 3.7=100 HA LYS 40 + HG LEU 38 OK 52 94 - 56 - 1781/3.0=12, 1659/2.1=7...(22) HA ARG 91 - HG3 ARG 91 OK 45 48 - 94 - 4.0=80, 3.0/4030=13...(19) HA GLU 43 - HG LEU 38 OK 44 94 - 47 - 1659/2.1=6, 1651/2.1=5...(17) HA GLU 35 - HG LEU 38 OK 31 84 - 37 - ~8775=4, 1659/2.1=4...(17) HB3 SER 49 - HG13 ILE 52 OK 30 58 - 52 - ~9172=8, ~9171=8...(15) HA LEU 38 - HG13 ILE 52 OK 27 91 - 29 - 2.9/1642=4, ~8856=3...(13) HA ARG 91 - HG LEU 38 OK 25 81 - 31 - 3.0/4030=3, 1659/2.1=3...(16) HA LEU 38 - HG3 ARG 91 OK 20 68 - 29 - 2.9/1642=4, 1617=3...(15) HA LYS 40 - HG13 ILE 52 OK 15 82 - 18 - 9165/3.2=2, 1775=2...(5) HA GLU 35 - HG3 ARG 91 OK 12 50 - 23 - 4016/1.8=3, 4026/2.8=3...(10) HA2 GLY 100 - HG LEU 38 poor 10 96 - 10 - ~8933=2, 1659/2.1=1 HB3 SER 49 - HG LEU 38 poor 10 70 - 14 - 9071/2.1=2, ~9056=2...(4) HA GLU 43 - HG3 ARG 91 poor 9 59 - 16 - 4045/1.8=2, 4026/2.8=2...(5) HA ARG 91 - HG13 ILE 52 poor 9 68 - 13 - 3.0/4030=1, 3.6/7460=1 HA GLU 43 - HG13 ILE 52 poor 9 82 - 11 - ~6690=3, 3.7/10604=1 HA LYS 94 - HG LEU 38 lone 7 96 - 8 - 1635/3.0=1, 1659/2.1=1 HA2 GLY 100 - HG3 ARG 91 poor 7 61 - 11 - ~4052=2, ~4070=2...(6) HA2 GLY 101 - HG LEU 38 lone 7 96 - 7 - HA LYS 12 - HG LEU 38 poor 6 61 - 10 - 3.6/1649=2 HA LYS 40 - HG3 ARG 91 poor 6 59 - 10 - 1771/2.8=1 HA LYS 94 - HG13 ILE 52 lone 5 84 - 6 - ~9152=2 HA2 GLY 101 - HG3 ARG 91 lone 4 61 - 7 - ~10102=1 HA GLU 35 - HG13 ILE 52 lone 4 71 - 6 - HA3 GLY 101 - HG LEU 38 lone 3 61 - 5 - HA2 GLY 101 - HG13 ILE 52 lone 3 84 - 3 - HA LYS 12 - HG13 ILE 52 lone 3 50 - 5 - HA2 GLY 100 - HG13 ILE 52 lone 2 84 - 3 - HA3 GLY 101 - HG3 ARG 91 lone 2 35 - 5 - HA LYS 94 - HG3 ARG 91 lone 2 61 - 3 - HA3 GLY 101 - HG13 ILE 52 lone 1 50 - 3 - HB3 SER 49 - HG3 ARG 91 lone 1 40 - 2 - HB2 SER 102 - HG LEU 38 lone 1 57 - 2 - HB2 SER 102 - HG3 ARG 91 lone 1 32 - 3 - HA LYS 12 - HG3 ARG 91 lone 1 35 - 2 - HB2 SER 102 - HG13 ILE 52 lone 0 47 - 1 - Peak 1644 from cnoeabs.peaks (1.46, 1.46, 27.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG LEU 38 + HG LEU 38 OK 99 99 - 100 HG13 ILE 52 + HG13 ILE 52 OK 91 91 - 100 HG3 ARG 91 + HG3 ARG 91 OK 67 67 - 100 Reference assignment not found: HB2 LEU 38 - HG LEU 38 Peak 1645 from cnoeabs.peaks (2.07, 1.46, 27.00 ppm; 3.64 A): 2 out of 30 assignments used, quality = 1.00: * HB3 LEU 38 + HG LEU 38 OK 100 100 - 100 - 3.0=100 HB3 GLU 43 + HG LEU 38 OK 60 96 - 63 - 1661/2.1=7, ~12068=7...(28) HB3 GLU 35 - HG LEU 38 OK 36 96 - 38 - 1653/2.1=4, 1661/2.1=4...(19) HB3 LEU 38 - HG13 ILE 52 OK 31 91 - 34 - 8857/2.1=4, ~8856=4...(16) HB3 GLU 88 - HG3 ARG 91 OK 27 65 - 41 - ~9960=9, ~4024=6...(10) HB3 LEU 38 - HG3 ARG 91 OK 23 68 - 33 - 1636=3, 3.8/1642=3...(18) HB2 MET 74 - HG LEU 38 OK 20 92 - 22 - 9584/5.3=3, 1618/3.7=3...(11) HB2 GLU 16 - HG LEU 38 OK 17 100 - 17 - 10420/2.1=2, 1661/2.1=2...(7) HB2 GLU 23 - HG3 ARG 91 OK 15 48 - 33 - 3.0/10463=6, ~10461=4...(12) HB3 GLU 35 - HG3 ARG 91 OK 15 61 - 24 - 12058/2.8=3, ~4045=2...(12) HB2 GLU 23 - HG LEU 38 OK 13 81 - 16 - 3.0/10463=3, 10462=2...(8) HB3 GLU 43 - HG3 ARG 91 OK 12 61 - 19 - 12312/4.8=3, 1971/4.0=2...(5) HB3 GLU 88 - HG LEU 38 OK 11 99 - 11 - 1661/2.1=1, 1629/3.0=1...(5) HB2 GLU 16 - HG13 ILE 52 poor 10 90 - 11 - ~10421=1, ~10424=1, ~9176=1 HB3 GLU 43 - HG13 ILE 52 poor 9 84 - 11 - ~10607=2, 3.0/10604=1, ~10603=1 HG3 GLU 28 - HG LEU 38 lone 6 94 - 6 - HG2 GLU 28 - HG LEU 38 lone 6 94 - 6 - HB2 MET 74 - HG13 ILE 52 lone 6 79 - 8 - ~12317=2, ~9615=2, ~9598=1 HB3 GLU 35 - HG13 ILE 52 lone 4 84 - 5 - HB3 GLU 62 - HG LEU 38 lone 4 73 - 6 - HB2 GLU 16 - HG3 ARG 91 lone 4 67 - 6 - ~10992=2 HB2 GLU 23 - HG13 ILE 52 lone 4 68 - 5 - 3.0/10463=1 HG2 GLU 28 - HG13 ILE 52 lone 3 82 - 3 - HG3 GLU 28 - HG13 ILE 52 lone 3 82 - 3 - HB2 MET 74 - HG3 ARG 91 lone 2 57 - 4 - 9595/1.8=1 HB3 GLU 88 - HG13 ILE 52 lone 2 88 - 2 - HB3 GLU 62 - HG13 ILE 52 lone 1 61 - 1 - HB3 GLU 62 - HG3 ARG 91 lone 1 43 - 2 - HG2 GLU 28 - HG3 ARG 91 lone 1 59 - 1 - HG3 GLU 28 - HG3 ARG 91 lone 1 59 - 1 - Peak 1646 from cnoeabs.peaks (1.46, 1.46, 27.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG LEU 38 + HG LEU 38 OK 100 100 - 100 HG13 ILE 52 + HG13 ILE 52 OK 91 91 - 100 HG3 ARG 91 + HG3 ARG 91 OK 63 63 - 100 Peak 1647 from cnoeabs.peaks (0.82, 1.46, 27.00 ppm; 3.23 A): 2 out of 24 assignments used, quality = 1.00: * QD2 LEU 38 + HG LEU 38 OK 100 100 - 100 - 2.1=100 QD2 LEU 103 + HG LEU 38 OK 47 99 - 48 - 4504/2.1=9, 2.1/1648=7...(16) QG2 VAL 32 - HG LEU 38 OK 31 94 - 33 - 10162/3.7=7, 2.1/8944=6...(11) QD2 LEU 2 - HG13 ILE 52 OK 27 68 - 39 - 12040=9, 2.1/12039=9...(8) QD2 LEU 38 - HG13 ILE 52 OK 25 91 - 28 - 2.1/1648=3, 1654=3...(14) QD1 LEU 70 - HG LEU 38 OK 18 97 - 19 - 1663/2.1=2, 1639/3.0=2...(7) QD2 LEU 38 - HG3 ARG 91 OK 16 68 - 24 - 1652=3, 2.1/1648=2...(11) QD2 LEU 70 - HG LEU 38 OK 13 77 - 16 - 10278/3.0=2, 1631/3.0=2...(7) QD2 LEU 2 - HG LEU 38 OK 12 81 - 15 - 12040=3, 2.1/12039=3...(6) QD1 LEU 57 - HG LEU 38 lone 9 99 - 9 - QG2 ILE 15 - HG LEU 38 poor 9 84 - 10 - 1631/3.0=1, 1639/3.0=1 QG2 VAL 32 - HG13 ILE 52 lone 8 82 - 9 - 2.1/8944=2, ~10640=1, 4.0/2373=1 QD1 LEU 57 - HG13 ILE 52 lone 7 88 - 7 - ~10696=1 QD1 LEU 57 - HG3 ARG 91 lone 5 65 - 7 - 10698/4.0=2, 2645/2.8=1 QD1 LEU 70 - HG13 ILE 52 lone 4 85 - 4 - ~9544=1 QG2 ILE 15 - HG13 ILE 52 lone 3 71 - 4 - QD2 LEU 70 - HG13 ILE 52 lone 3 65 - 4 - ~9544=1 QD2 LEU 2 - HG3 ARG 91 lone 2 48 - 5 - 12040=1, 2.1/12039=1 QG2 VAL 32 - HG3 ARG 91 lone 2 59 - 3 - QD2 LEU 103 - HG13 ILE 52 lone 2 89 - 2 - QG2 ILE 15 - HG3 ARG 91 lone 2 50 - 3 - QD1 LEU 70 - HG3 ARG 91 lone 1 63 - 2 - QD2 LEU 103 - HG3 ARG 91 lone 1 66 - 2 - QD2 LEU 70 - HG3 ARG 91 lone 1 45 - 2 - Peak 1648 from cnoeabs.peaks (0.86, 1.46, 27.00 ppm; 3.37 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 38 + HG LEU 38 OK 100 100 - 100 - 2.1=100 QD1 LEU 103 + HG LEU 38 OK 53 99 - 53 - 1656/2.1=10, 1632/3.0=7...(16) QD2 LEU 64 - HG LEU 38 OK 30 100 - 30 - 1632/3.0=5, 1656/2.1=5...(9) QD1 LEU 38 - HG13 ILE 52 OK 27 91 - 30 - 1662=3, 12070/3.0=3...(13) QD1 LEU 38 - HG3 ARG 91 OK 18 68 - 27 - 12070/2.8=3, 1660=3...(13) QD2 LEU 64 - HG3 ARG 91 lone 6 68 - 9 - QD2 LEU 64 - HG13 ILE 52 lone 4 91 - 5 - QD1 LEU 103 - HG13 ILE 52 lone 2 89 - 3 - QD1 LEU 103 - HG3 ARG 91 lone 2 66 - 3 - Peak 1649 from cnoeabs.peaks (8.08, 1.46, 27.00 ppm; 5.35 A): 3 out of 15 assignments used, quality = 0.95: * H LYS 39 + HG LEU 38 OK 86 100 - 86 - 6596/5.3=33, 6602/2.1=26...(17) H LYS 13 + HG LEU 38 OK 49 96 - 51 - ~8385=11, 1633/3.0=9...(9) H GLU 75 + HG LEU 38 OK 37 97 - 38 - 1641/3.0=8, 1665/2.1=7...(7) H ILE 15 - HG LEU 38 OK 34 94 - 36 - 1633/3.0=6, 1665/2.1=6...(9) H LYS 39 - HG13 ILE 52 OK 28 91 - 31 - 8947/2.1=6, 4.6/1642=5...(10) H LYS 39 - HG3 ARG 91 OK 13 68 - 18 - 4.6/1642=5, 3.6/1617=3...(5) H ILE 15 - HG13 ILE 52 OK 11 82 - 13 - 6214/2.1=2, ~12021=1, 4.6/8473=1 H GLU 17 - HG LEU 38 poor 8 57 - 13 - 4.6/8473=2, 1633/3.0=1...(7) H LYS 13 - HG13 ILE 52 lone 7 84 - 8 - H LYS 13 - HG3 ARG 91 lone 5 61 - 8 - 6177/2.8=1 H GLU 75 - HG13 ILE 52 lone 4 85 - 5 - H GLU 17 - HG13 ILE 52 lone 4 47 - 9 - ~9171=2, ~9164=1, 4.6/8473=1 H ILE 15 - HG3 ARG 91 lone 4 59 - 6 - 4.6/8473=1 H GLU 75 - HG3 ARG 91 lone 3 63 - 4 - H GLU 17 - HG3 ARG 91 lone 2 32 - 7 - ~10992=2, 4.6/8473=1 Peak 1650 from cnoeabs.peaks (7.53, 0.82, 25.55 ppm; 5.31 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 38 + QD2 LEU 38 OK 100 100 - 100 - 4.5=100 H LEU 38 - QD1 LEU 70 OK 22 49 - 45 - 4.6/6601=6, 2.9/1620=5...(15) Peak 1651 from cnoeabs.peaks (3.87, 0.82, 25.55 ppm; 3.20 A): 3 out of 24 assignments used, quality = 0.95: * HA LEU 38 + QD2 LEU 38 OK 87 100 - 87 - 3.8=58, 1621/2.1=21...(16) HA LYS 40 + QD2 LEU 38 OK 38 94 - 40 - 1781/3.1=9, 1659/2.1=6...(15) HA GLU 43 + QD2 LEU 38 OK 35 94 - 38 - 1659/2.1=5, 3.0/1653=4...(17) HA GLU 35 - QD2 LEU 38 OK 23 84 - 28 - 10167=3, 12057/4.5=3...(12) HA ARG 91 - QD2 LEU 38 OK 16 81 - 20 - 10167=2, 1659/2.1=2...(8) HA LYS 94 - QD1 LEU 70 OK 15 43 - 34 - 9541/2.1=6, 4175/3.1=5...(14) HA LEU 38 - QD1 LEU 70 OK 12 49 - 25 - 1620=5, 9541/2.1=3...(9) HA LYS 40 - QD1 LEU 70 OK 10 42 - 24 - 9541/2.1=4, 2.9/8862=3...(8) HA2 GLY 100 - QD2 LEU 38 lone 7 96 - 7 - ~8933=2, 1659/2.1=1 HA GLU 35 - QD1 LEU 70 poor 7 35 - 19 - ~10278=3, 10167=2...(7) HB3 SER 49 - QD2 LEU 38 lone 6 70 - 8 - ~9056=2, 9071/2.1=2 HA LYS 94 - QD2 LEU 38 lone 5 96 - 6 - HA GLU 43 - QD1 LEU 70 poor 5 42 - 12 - 9541/2.1=2, ~10608=2...(5) HA2 GLY 101 - QD2 LEU 38 lone 5 96 - 5 - HA LYS 12 - QD2 LEU 38 lone 4 61 - 7 - 3.6/1657=2 HA3 GLY 101 - QD2 LEU 38 lone 2 61 - 3 - HA LYS 12 - QD1 LEU 70 lone 2 24 - 8 - 9541/2.1=1, 392/3.1=1 HB2 SER 102 - QD2 LEU 38 lone 2 57 - 3 - 4.5/7652=3 HA2 GLY 100 - QD1 LEU 70 lone 1 43 - 3 - HA2 GLY 101 - QD1 LEU 70 lone 1 43 - 3 - HA ARG 91 - QD1 LEU 70 lone 1 33 - 3 - HB3 SER 49 - QD1 LEU 70 lone 1 28 - 3 - HA3 GLY 101 - QD1 LEU 70 lone 0 24 - 2 - HB2 SER 102 - QD1 LEU 70 lone 0 22 - 1 - Peak 1652 from cnoeabs.peaks (1.46, 0.82, 25.55 ppm; 2.98 A): 2 out of 30 assignments used, quality = 1.00: HG LEU 38 + QD2 LEU 38 OK 99 99 - 100 - 2.1=100 * HB2 LEU 38 + QD2 LEU 38 OK 92 100 - 92 - 3.1=86, 1626/4.5=11...(12) HG13 ILE 52 - QD2 LEU 38 OK 23 100 - 24 - 1648/2.1=3, 1647=3...(12) HD2 LYS 40 - QD2 LEU 38 OK 23 94 - 24 - 3.5/12071=3, 1662/2.1=2...(11) HD3 LYS 40 - QD2 LEU 38 OK 22 92 - 24 - 3.5/12071=3, 1662/2.1=2...(11) HG3 ARG 91 - QD2 LEU 38 OK 19 100 - 20 - 1648/2.1=2, 1647=2...(9) HG3 LYS 39 - QD2 LEU 38 OK 13 81 - 16 - 5.2/6601=3, 3.9/8952=2...(7) HD2 LYS 82 - QD2 LEU 38 OK 12 99 - 12 - ~10942=3, 10940/2.1=2, ~12331=2 HB2 LEU 38 - QD1 LEU 70 OK 11 49 - 23 - 1631=3, 1.8/1639=3...(11) HG2 LYS 20 - QD2 LEU 38 OK 10 100 - 10 - ~12070=1, 1660/2.1=1 HG LEU 38 - QD1 LEU 70 poor 8 48 - 18 - 2.1/1663=2, 1647=2...(8) HD2 LYS 40 - QD1 LEU 70 poor 5 42 - 12 - 3.5/12071=1, 6.2/8862=1 HD3 LYS 40 - QD1 LEU 70 poor 5 40 - 12 - 3.5/12071=1, 6.2/8862=1 HG2 LYS 53 - QD2 LEU 38 lone 5 96 - 5 - HG3 LYS 39 - QD1 LEU 70 poor 5 33 - 14 - ~10569=3, ~8956=2...(4) HG2 LYS 12 - QD2 LEU 38 lone 4 92 - 4 - HG3 LYS 53 - QD2 LEU 38 lone 4 84 - 4 - HB2 LEU 27 - QD2 LEU 38 lone 3 100 - 3 - HD2 LYS 53 - QD2 LEU 38 lone 3 99 - 3 - HG13 ILE 52 - QD1 LEU 70 lone 2 49 - 4 - HG2 LYS 12 - QD1 LEU 70 lone 2 40 - 4 - HG13 ILE 76 - QD2 LEU 38 lone 1 61 - 2 - HG13 ILE 76 - QD1 LEU 70 lone 1 24 - 5 - HG3 ARG 91 - QD1 LEU 70 lone 1 48 - 2 - HB2 LEU 27 - QD1 LEU 70 lone 1 49 - 1 - HD2 LYS 82 - QD1 LEU 70 lone 0 48 - 1 - HG2 LYS 20 - QD1 LEU 70 lone 0 49 - 1 - HD2 LYS 53 - QD1 LEU 70 lone 0 48 - 1 - HG2 LYS 53 - QD1 LEU 70 lone 0 43 - 1 - HG3 LYS 53 - QD1 LEU 70 lone 0 35 - 1 - Peak 1653 from cnoeabs.peaks (2.07, 0.82, 25.55 ppm; 3.41 A): 2 out of 20 assignments used, quality = 1.00: * HB3 LEU 38 + QD2 LEU 38 OK 100 100 - 100 - 3.1=100 HB3 GLU 43 + QD2 LEU 38 OK 52 96 - 54 - 1661/2.1=7, ~12068=6...(22) HB3 GLU 35 - QD2 LEU 38 OK 33 96 - 35 - 1661/2.1=4, 1629/3.1=3...(12) HB2 MET 74 - QD2 LEU 38 OK 19 92 - 21 - 9584/4.5=3, 1661/2.1=2...(12) HB2 GLU 16 - QD2 LEU 38 OK 15 100 - 14 - 10420=2, 1661/2.1=2...(6) HB3 LEU 38 - QD1 LEU 70 OK 13 49 - 27 - 1639=5, 1.8/1631=3...(10) HB3 GLU 88 - QD2 LEU 38 OK 10 99 - 10 - 1661/2.1=1, 1629/3.1=1 HB3 GLU 35 - QD1 LEU 70 OK 10 43 - 24 - 10527/2.1=4, 10420=3...(10) HB2 GLU 23 - QD2 LEU 38 poor 8 81 - 10 - ~10463=1, ~10461=1...(5) HB3 GLU 43 - QD1 LEU 70 poor 7 43 - 16 - 10608/2.1=4, ~10606=2...(8) HG3 GLU 28 - QD2 LEU 38 lone 5 94 - 5 - HG2 GLU 28 - QD2 LEU 38 lone 5 94 - 5 - HB3 GLU 62 - QD2 LEU 38 lone 3 73 - 5 - HB2 MET 74 - QD1 LEU 70 lone 3 40 - 7 - ~9614=2, 4.0/9592=1 HB2 GLU 16 - QD1 LEU 70 lone 2 48 - 4 - HB3 GLU 88 - QD1 LEU 70 lone 1 47 - 3 - HB3 GLU 62 - QD1 LEU 70 lone 1 30 - 2 - HB2 GLU 23 - QD1 LEU 70 lone 0 33 - 1 - HG2 GLU 28 - QD1 LEU 70 lone 0 42 - 1 - HG3 GLU 28 - QD1 LEU 70 lone 0 42 - 1 - Peak 1654 from cnoeabs.peaks (1.46, 0.82, 25.55 ppm; 2.98 A): 2 out of 28 assignments used, quality = 1.00: * HG LEU 38 + QD2 LEU 38 OK 100 100 - 100 - 2.1=100 HB2 LEU 38 + QD2 LEU 38 OK 92 99 - 92 - 3.1=86, 1626/4.5=11...(12) HD2 LYS 40 - QD2 LEU 38 OK 24 99 - 25 - 3.5/12071=3, 1662/2.1=2...(11) HD3 LYS 40 - QD2 LEU 38 OK 24 98 - 25 - 3.5/12071=3, 1662/2.1=2...(11) HG13 ILE 52 - QD2 LEU 38 OK 24 100 - 24 - 1648/2.1=3, 1647=3...(12) HG3 ARG 91 - QD2 LEU 38 OK 19 97 - 20 - 1648/2.1=2, 1647=2...(9) HD2 LYS 82 - QD2 LEU 38 OK 12 100 - 12 - ~10942=3, 10940/2.1=2, ~12331=2 HB2 LEU 38 - QD1 LEU 70 OK 11 48 - 23 - 1631=3, 1.8/1639=3...(11) HG3 LYS 39 - QD2 LEU 38 OK 10 65 - 16 - 5.2/6601=3, 3.9/8952=2...(7) HG2 LYS 20 - QD2 LEU 38 OK 10 100 - 10 - 1662/2.1=1, ~12070=1 HG LEU 38 - QD1 LEU 70 poor 9 49 - 18 - 1647=2, 2.1/1663=2...(8) HD2 LYS 40 - QD1 LEU 70 poor 6 47 - 12 - 3.5/12071=1, 6.2/8862=1 HD3 LYS 40 - QD1 LEU 70 poor 6 46 - 12 - 3.5/12071=1, 6.2/8862=1 HG2 LYS 53 - QD2 LEU 38 lone 5 99 - 5 - HG3 LYS 53 - QD2 LEU 38 lone 4 94 - 4 - HB2 LEU 27 - QD2 LEU 38 lone 4 100 - 3 - HG3 LYS 39 - QD1 LEU 70 poor 3 26 - 14 - ~10569=3, ~8956=2...(4) HD2 LYS 53 - QD2 LEU 38 lone 3 100 - 3 - HG2 LYS 12 - QD2 LEU 38 lone 3 81 - 4 - HG13 ILE 52 - QD1 LEU 70 lone 2 49 - 4 - HG2 LYS 12 - QD1 LEU 70 lone 1 33 - 3 - HG3 ARG 91 - QD1 LEU 70 lone 1 45 - 2 - HB2 LEU 27 - QD1 LEU 70 lone 1 49 - 1 - HD2 LYS 82 - QD1 LEU 70 lone 0 49 - 1 - HD2 LYS 53 - QD1 LEU 70 lone 0 49 - 1 - HG2 LYS 20 - QD1 LEU 70 lone 0 49 - 1 - HG2 LYS 53 - QD1 LEU 70 lone 0 48 - 1 - HG3 LYS 53 - QD1 LEU 70 lone 0 42 - 1 - Peak 1655 from cnoeabs.peaks (0.82, 0.82, 25.55 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 38 + QD2 LEU 38 OK 100 100 - 100 QD1 LEU 70 - QD1 LEU 70 OK 45 45 - 100 Peak 1656 from cnoeabs.peaks (0.86, 0.82, 25.55 ppm; 2.40 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 38 + QD2 LEU 38 OK 100 100 - 100 - 2.1=100 QD1 LEU 103 - QD2 LEU 38 OK 38 99 - 39 - 4511=10, 1648/2.1=3...(17) QD2 LEU 64 - QD2 LEU 38 OK 17 100 - 17 - 4511=3, 1632/3.1=2...(8) QD1 LEU 38 - QD1 LEU 70 poor 6 49 - 12 - 1663=3, 3.1/1639=1...(4) QD1 LEU 103 - QD1 LEU 70 lone 2 48 - 4 - QD2 LEU 64 - QD1 LEU 70 lone 1 49 - 2 - Peak 1657 from cnoeabs.peaks (8.08, 0.82, 25.55 ppm; 5.00 A): 3 out of 10 assignments used, quality = 0.95: * H LYS 39 + QD2 LEU 38 OK 85 100 - 85 - 6596/4.5=35, 6602/2.1=25...(14) H LYS 13 + QD2 LEU 38 OK 46 96 - 48 - ~8385=10, 1633/3.1=8...(11) H GLU 75 + QD2 LEU 38 OK 36 97 - 37 - 1641/3.1=7, 6591/4.5=7...(8) H ILE 15 - QD2 LEU 38 OK 32 94 - 34 - 1633/3.1=5, 1641/3.1=5...(9) H LYS 39 - QD1 LEU 70 OK 30 49 - 61 - ~10822=28, 6601=8...(12) H ILE 15 - QD1 LEU 70 OK 18 42 - 42 - 6217/3.1=5, 6218/2.1=5...(15) H GLU 75 - QD1 LEU 70 poor 8 45 - 17 - 4.6/9592=3, 4.3/9596=2...(7) H GLU 17 - QD2 LEU 38 poor 6 57 - 11 - 4.6/1653=2, 1633/3.1=1...(4) H LYS 13 - QD1 LEU 70 poor 6 43 - 13 - 6179/2.1=1, 4.8/10394=1 H GLU 17 - QD1 LEU 70 lone 1 22 - 7 - 4.6/6232=1 Peak 1658 from cnoeabs.peaks (7.53, 0.86, 23.57 ppm; 4.39 A): 1 out of 1 assignment used, quality = 0.99: * H LEU 38 + QD1 LEU 38 OK 99 100 - 99 - 4.5=93, 1634/3.1=36...(16) Peak 1659 from cnoeabs.peaks (3.87, 0.86, 23.57 ppm; 3.04 A): 5 out of 12 assignments used, quality = 0.95: * HA LEU 38 + QD1 LEU 38 OK 81 100 - 81 - 3.8=50, 2.9/1658=14...(18) HA LYS 40 + QD1 LEU 38 OK 37 94 - 40 - 1781/3.1=8, 1651/2.1=4...(14) HA GLU 43 + QD1 LEU 38 OK 33 94 - 35 - 3.0/12068=6, 3.0/1661=4...(16) HA GLU 35 + QD1 LEU 38 OK 20 84 - 24 - 12057/4.5=3, ~8775=2...(10) HA ARG 91 + QD1 LEU 38 OK 14 81 - 18 - 3.0/12070=3, 1651/2.1=2...(8) HA2 GLY 100 - QD1 LEU 38 lone 7 96 - 7 - 1.8/8933=2 HB3 SER 49 - QD1 LEU 38 lone 6 70 - 8 - 3.0/9056=2, 9071=1 HA LYS 94 - QD1 LEU 38 lone 5 96 - 5 - HA2 GLY 101 - QD1 LEU 38 lone 4 96 - 4 - HA LYS 12 - QD1 LEU 38 lone 4 61 - 6 - 3.6/1665=2 HA3 GLY 101 - QD1 LEU 38 lone 2 61 - 3 - HB2 SER 102 - QD1 LEU 38 lone 2 57 - 3 - 4.5/7653=2 Peak 1660 from cnoeabs.peaks (1.46, 0.86, 23.57 ppm; 2.97 A): 2 out of 15 assignments used, quality = 1.00: HG LEU 38 + QD1 LEU 38 OK 99 99 - 100 - 2.1=100 * HB2 LEU 38 + QD1 LEU 38 OK 92 100 - 92 - 3.1=86, 3.0/1621=14...(13) HD2 LYS 40 - QD1 LEU 38 OK 24 94 - 26 - 3.5/12070=3, 10940=2...(10) HG13 ILE 52 - QD1 LEU 38 OK 24 100 - 24 - 1648=4, 3.0/12070=2...(11) HD3 LYS 40 - QD1 LEU 38 OK 24 92 - 26 - 3.5/12070=3, 1.8/10940=2...(11) HG3 ARG 91 - QD1 LEU 38 OK 21 100 - 21 - 1648=2, 2.8/12070=2...(9) HD2 LYS 82 - QD1 LEU 38 OK 20 99 - 20 - 3.5/9756=3, 3.5/9758=3...(6) HG2 LYS 20 - QD1 LEU 38 OK 13 100 - 13 - 1.8/12070=2, 3.0/12068=2...(4) HG3 LYS 39 - QD1 LEU 38 OK 12 81 - 15 - 5.2/6602=4, ~10545=1...(4) HG2 LYS 53 - QD1 LEU 38 lone 6 96 - 6 - HG3 LYS 53 - QD1 LEU 38 lone 5 84 - 5 - HB2 LEU 27 - QD1 LEU 38 lone 4 100 - 4 - HG2 LYS 12 - QD1 LEU 38 lone 4 92 - 5 - HD2 LYS 53 - QD1 LEU 38 lone 4 99 - 4 - HG13 ILE 76 - QD1 LEU 38 lone 1 61 - 2 - Peak 1661 from cnoeabs.peaks (2.07, 0.86, 23.57 ppm; 3.72 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LEU 38 + QD1 LEU 38 OK 100 100 - 100 - 3.1=100 HB3 GLU 43 + QD1 LEU 38 OK 61 96 - 64 - 1.8/12068=11, 1653/2.1=7...(26) HB3 GLU 35 - QD1 LEU 38 OK 33 96 - 35 - 1653/2.1=4, 1629/3.1=4...(14) HB2 MET 74 - QD1 LEU 38 OK 22 92 - 24 - 9584/4.5=3, 2.9/10548=3...(11) HB2 GLU 16 - QD1 LEU 38 OK 16 100 - 16 - 10420/2.1=2, 1629/3.1=2...(6) HB3 GLU 88 - QD1 LEU 38 OK 12 99 - 11 - 1653/2.1=1, 1629/3.1=1...(4) HB2 GLU 23 - QD1 LEU 38 poor 10 81 - 12 - ~10463=2, ~10461=2...(5) HG3 GLU 28 - QD1 LEU 38 lone 6 94 - 6 - HG2 GLU 28 - QD1 LEU 38 lone 6 94 - 6 - HB3 GLU 62 - QD1 LEU 38 lone 4 73 - 5 - Peak 1662 from cnoeabs.peaks (1.46, 0.86, 23.57 ppm; 2.97 A): 2 out of 14 assignments used, quality = 1.00: * HG LEU 38 + QD1 LEU 38 OK 100 100 - 100 - 2.1=100 HB2 LEU 38 + QD1 LEU 38 OK 92 99 - 92 - 3.1=86, 3.0/1621=14...(13) HD2 LYS 40 - QD1 LEU 38 OK 26 99 - 26 - 3.5/12070=3, 10940=2...(10) HD3 LYS 40 - QD1 LEU 38 OK 26 98 - 26 - 3.5/12070=3, 1.8/10940=2...(11) HG13 ILE 52 - QD1 LEU 38 OK 24 100 - 24 - 1648=4, 3.0/12070=2...(11) HG3 ARG 91 - QD1 LEU 38 OK 20 97 - 21 - 1648=3, 2.8/12070=2...(9) HD2 LYS 82 - QD1 LEU 38 OK 20 100 - 20 - 3.5/9756=3, 3.5/9758=3...(6) HG2 LYS 20 - QD1 LEU 38 OK 13 100 - 13 - 1.8/12070=2, 3.0/12068=2...(4) HG3 LYS 39 - QD1 LEU 38 poor 10 65 - 15 - 5.2/6602=4, ~10545=1...(4) HG2 LYS 53 - QD1 LEU 38 lone 6 99 - 6 - HG3 LYS 53 - QD1 LEU 38 lone 5 94 - 6 - HB2 LEU 27 - QD1 LEU 38 lone 4 100 - 4 - HD2 LYS 53 - QD1 LEU 38 lone 4 100 - 4 - HG2 LYS 12 - QD1 LEU 38 lone 3 81 - 4 - Peak 1663 from cnoeabs.peaks (0.82, 0.86, 23.57 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 38 + QD1 LEU 38 OK 100 100 - 100 - 2.1=100 QD2 LEU 103 - QD1 LEU 38 OK 37 99 - 38 - 4504=11, 2.1/4496=3...(18) QG2 VAL 32 - QD1 LEU 38 OK 16 94 - 17 - 10162/3.8=3, 1631/3.1=2...(9) QD1 LEU 70 - QD1 LEU 38 poor 10 97 - 10 - 1656=2, 1639/3.1=1...(4) QD2 LEU 70 - QD1 LEU 38 lone 6 77 - 8 - QD2 LEU 2 - QD1 LEU 38 lone 5 81 - 6 - 12040/2.1=1, 12040/3.1=1 QD1 LEU 57 - QD1 LEU 38 lone 4 99 - 4 - QG2 ILE 15 - QD1 LEU 38 lone 4 84 - 5 - Peak 1664 from cnoeabs.peaks (0.86, 0.86, 23.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 38 + QD1 LEU 38 OK 100 100 - 100 Peak 1665 from cnoeabs.peaks (8.08, 0.86, 23.57 ppm; 5.62 A): 3 out of 5 assignments used, quality = 0.97: * H LYS 39 + QD1 LEU 38 OK 90 100 - 90 - 6596/4.5=41, 3.6/1621=29...(16) H LYS 13 + QD1 LEU 38 OK 54 96 - 56 - 2.9/8385=17, 1633/3.1=9...(10) H GLU 75 + QD1 LEU 38 OK 43 97 - 45 - 1641/3.1=8, 6591/4.5=8...(10) H ILE 15 - QD1 LEU 38 OK 37 94 - 39 - 1633/3.1=6, 1641/3.1=6...(12) H GLU 17 - QD1 LEU 38 poor 8 57 - 13 - 4.6/1661=2, 1633/3.1=2...(6) Peak 1666 from cnoeabs.peaks (8.08, 3.61, 60.29 ppm; 3.70 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 39 + HA LYS 39 OK 100 100 - 100 - 3.0=100 H LYS 13 - HA LYS 39 OK 38 96 - 40 - 1680/3.0=6, 6618/3.6=5...(12) H ILE 15 - HA LYS 39 OK 27 94 - 29 - 1680/3.0=5, 6618/3.6=3...(12) H GLU 75 - HA LYS 39 OK 20 97 - 21 - 1680/3.0=3, 1713/3.9=3...(8) H GLU 17 - HA LYS 39 lone 3 57 - 6 - 4.0/8951=1 Peak 1667 from cnoeabs.peaks (3.61, 3.61, 60.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HA LYS 39 OK 100 100 - 100 Peak 1668 from cnoeabs.peaks (1.80, 3.61, 60.29 ppm; 3.30 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 39 + HA LYS 39 OK 100 100 - 100 - 3.0=100 HB2 LEU 42 + HA LYS 39 OK 74 94 - 78 - 1.8/1679=19, 1909=17...(22) HB2 GLU 104 - HA LYS 39 OK 19 90 - 21 - 4524/3.0=2, 1.8/1669=2...(10) HB ILE 93 - HA LYS 39 OK 17 99 - 17 - 1715/3.9=2, 1704/3.9=2...(8) HG3 ARG 46 - HA LYS 39 OK 16 90 - 18 - 9601/9609=2, 1715/3.9=2...(11) HB2 LYS 90 - HA LYS 39 OK 10 81 - 13 - 2.8/1679=2 HB2 GLU 88 - HA LYS 39 lone 7 90 - 7 - HB VAL 78 - HA LYS 39 lone 5 65 - 8 - Peak 1669 from cnoeabs.peaks (1.86, 3.61, 60.29 ppm; 3.43 A): 4 out of 7 assignments used, quality = 1.00: * HB3 LYS 39 + HA LYS 39 OK 100 100 - 100 - 3.0=100 HB2 LYS 12 + HA LYS 39 OK 57 100 - 57 - 1692=9, 1.8/1692=7...(25) HB3 LYS 12 + HA LYS 39 OK 56 99 - 57 - 1692=8, 1.8/1692=7...(25) HB3 LYS 68 + HA LYS 39 OK 56 94 - 60 - 2.9/1703=7, 1692=7...(30) HB3 GLU 104 - HA LYS 39 OK 20 96 - 21 - 1.8/1678=3, 4530/3.0=3...(8) HB VAL 5 - HA LYS 39 OK 11 100 - 11 - 10193/3.9=2, 1683/3.0=1, ~181=1 HB3 LYS 66 - HA LYS 39 lone 8 100 - 8 - 9516/10822=1 Peak 1670 from cnoeabs.peaks (1.34, 3.61, 60.29 ppm; 3.75 A): 2 out of 12 assignments used, quality = 0.99: * HG2 LYS 39 + HA LYS 39 OK 98 100 - 98 - 3.9=91, 3.0/1736=19...(36) HG3 LYS 68 + HA LYS 39 OK 68 99 - 69 - 1703=12, 1684/3.0=7...(32) HG3 LYS 40 - HA LYS 39 OK 28 81 - 35 - 1817/3.6=10, 3.8/8950=4...(11) HG LEU 14 - HA LYS 39 OK 27 99 - 27 - 2.1/8953=6, 617/3.0=3...(11) QB ALA 67 - HA LYS 39 OK 20 96 - 21 - 3.6/10557=4, 10784/3.0=3...(8) HB2 LYS 82 - HA LYS 39 OK 14 100 - 14 - 3657/6.3=3, 1684/3.0=2...(6) HG2 LYS 94 - HA LYS 39 OK 14 98 - 14 - 1684/3.0=2, 3.7/8950=2...(7) HB3 LEU 27 - HA LYS 39 OK 13 100 - 13 - 1684/3.0=2, 6622/3.6=1 HB3 LEU 2 - HA LYS 39 OK 12 87 - 14 - 4.6/10559=2, 3.1/8952=2...(4) QB ALA 25 - HA LYS 39 lone 7 98 - 7 - 3.6/10559=2 HG12 ILE 8 - HA LYS 39 poor 7 65 - 10 - 2.1/8953=2, ~8947=1, 6632/3.6=1 QB ALA 89 - HA LYS 39 lone 4 98 - 4 - Peak 1671 from cnoeabs.peaks (1.44, 3.61, 60.29 ppm; 3.77 A): 3 out of 15 assignments used, quality = 1.00: * HG3 LYS 39 + HA LYS 39 OK 99 100 - 99 - 3.9=93, 3.0/1736=19...(33) HB2 LEU 38 + HA LYS 39 OK 52 81 - 65 - 3.8/10547=15, ~6599=8...(22) HG2 LYS 12 + HA LYS 39 OK 47 99 - 47 - 425/3.0=7, 3.0/1692=7...(18) HG13 ILE 76 - HA LYS 39 OK 41 99 - 42 - 2.1/8952=6, ~8956=4...(17) HG LEU 38 - HA LYS 39 OK 40 65 - 61 - 5.3/10547=11, ~6602=8...(21) HG LEU 29 - HA LYS 39 OK 17 98 - 17 - 1685/3.0=2, ~8671=2...(8) HG2 LYS 13 - HA LYS 39 OK 13 90 - 14 - 4.8/1666=4, 517/3.0=1 HG12 ILE 7 - HA LYS 39 OK 11 70 - 16 - 3.2/8952=1, ~8285=1...(7) HG13 ILE 52 - HA LYS 39 OK 11 73 - 15 - 2.1/8953=5, ~8947=2...(4) QB ALA 22 - HA LYS 39 lone 9 98 - 9 - 8582/3.0=2 HB2 LEU 27 - HA LYS 39 poor 8 73 - 11 - 1.8/1670=2 HD2 LYS 82 - HA LYS 39 lone 6 65 - 9 - 3.5/1670=1, 1707/3.9=1 HG3 ARG 91 - HA LYS 39 lone 4 90 - 5 - HG2 LYS 20 - HA LYS 39 lone 2 73 - 3 - HD2 LYS 53 - HA LYS 39 lone 2 65 - 2 - Peak 1672 from cnoeabs.peaks (1.65, 3.61, 60.29 ppm; 4.26 A): 6 out of 12 assignments used, quality = 1.00: * HD2 LYS 39 + HA LYS 39 OK 97 100 - 97 - 4.9=64, 1.8/1736=30...(39) HD3 LYS 39 + HA LYS 39 OK 81 84 - 96 - 4.9=64, 1737/3.0=15...(41) HD2 LYS 68 + HA LYS 39 OK 77 100 - 78 - 1725=11, 3.0/1703=10...(41) HD3 LYS 68 + HA LYS 39 OK 77 100 - 77 - 1725=11, 3.0/1703=10...(41) HG2 LYS 68 + HA LYS 39 OK 66 87 - 76 - 1.8/1703=13, 3.0/1725=8...(38) HB2 LYS 40 + HA LYS 39 OK 57 96 - 60 - 1783/3.6=23, 4.3/6643=18...(16) HB ILE 76 - HA LYS 39 OK 36 92 - 39 - 3.2/8952=5, 10884/1918=4...(16) HB ILE 52 - HA LYS 39 OK 14 73 - 19 - 3.2/8953=5, ~8947=2...(7) HB3 LEU 6 - HA LYS 39 OK 13 98 - 13 - 3.1/8953=3, 206/8966=2, ~10566=1 HD3 LYS 73 - HA LYS 39 lone 7 90 - 8 - 6.4/10559=2, 9600/9609=1 HD2 LYS 73 - HA LYS 39 lone 7 84 - 8 - 6.4/10559=2, 9600/9609=1 HB3 ARG 79 - HA LYS 39 lone 3 100 - 3 - Peak 1673 from cnoeabs.peaks (1.64, 3.61, 60.29 ppm; 4.26 A): 6 out of 11 assignments used, quality = 1.00: * HD3 LYS 39 + HA LYS 39 OK 97 100 - 97 - 4.9=64, 1737/3.0=21...(42) HD2 LYS 39 + HA LYS 39 OK 81 84 - 96 - 4.9=64, 1.8/1736=30...(38) HG2 LYS 68 + HA LYS 39 OK 78 100 - 78 - 1.8/1703=13, 3024/3.0=9...(40) HD3 LYS 68 + HA LYS 39 OK 69 92 - 75 - 3.0/1703=10, 1.8/1725=10...(41) HD2 LYS 68 + HA LYS 39 OK 67 90 - 75 - 3.0/1703=10, 1.8/1725=10...(41) HB2 LYS 40 + HA LYS 39 OK 60 99 - 61 - 1783/3.6=25, 4.3/6643=18...(16) HB ILE 76 - HA LYS 39 OK 41 100 - 41 - 3.2/8952=5, 10884/1918=5...(17) HB3 LEU 6 - HA LYS 39 OK 12 97 - 12 - 3.1/8953=3, 206/8966=2, ~10566=1 HD2 LYS 94 - HA LYS 39 OK 11 70 - 15 - 4.7/8950=2, 3.5/8951=2...(4) HB3 ARG 79 - HA LYS 39 lone 2 84 - 2 - HG3 LYS 47 - HA LYS 39 lone 1 61 - 2 - Peak 1676 from cnoeabs.peaks (7.63, 3.61, 60.29 ppm; 4.34 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 40 + HA LYS 39 OK 100 100 - 100 - 3.6=100 HE22 GLN 50 - HA LYS 39 OK 26 94 - 27 - 1690/3.0=6, 6612/3.0=6...(8) H GLU 48 - HA LYS 39 OK 12 70 - 17 - 1690/3.0=3, 6612/3.0=3...(7) Peak 1677 from cnoeabs.peaks (7.96, 3.61, 60.29 ppm; 4.32 A): 2 out of 2 assignments used, quality = 0.96: * H LEU 42 + HA LYS 39 OK 93 100 - 93 - 6663=50, 4.0/1909=24...(13) H LEU 70 + HA LYS 39 OK 50 100 - 50 - 4.6/10822=20, 6638/3.6=9...(10) Peak 1678 from cnoeabs.peaks (1.81, 3.61, 60.29 ppm; 3.35 A): 2 out of 8 assignments used, quality = 0.99: HB2 LYS 39 + HA LYS 39 OK 94 94 - 100 - 3.0=100 * HB2 LEU 42 + HA LYS 39 OK 80 100 - 80 - 1909=21, 1.8/1679=19...(23) HB2 GLU 104 - HA LYS 39 OK 22 100 - 21 - 4524/3.0=3, 1.8/1669=2...(10) HB ILE 93 - HA LYS 39 OK 17 99 - 17 - 1715/3.9=2, 6604/3.0=1...(7) HB2 LYS 90 - HA LYS 39 OK 13 99 - 13 - 2.8/1679=2, 1921/1918=1 HB2 GLU 88 - HA LYS 39 lone 8 100 - 8 - HG2 ARG 46 - HA LYS 39 poor 7 65 - 10 - 2091/3.0=1, ~2109=1...(7) HB3 LEU 57 - HA LYS 39 lone 3 70 - 4 - Peak 1679 from cnoeabs.peaks (1.30, 3.61, 60.29 ppm; 3.99 A): 4 out of 4 assignments used, quality = 0.93: * HB3 LEU 42 + HA LYS 39 OK 89 100 - 89 - 1.8/1909=31, 1918=30...(19) HG LEU 3 + HA LYS 39 OK 13 99 - 13 - 5.0/10559=2, 6674/6663=2...(6) HG2 ARG 30 + HA LYS 39 OK 10 94 - 11 - 1938/8966=2, 1913/1909=2...(6) HG2 LYS 90 + HA LYS 39 OK 10 73 - 14 - 1913/1909=2, 2.8/1678=2...(6) Peak 1680 from cnoeabs.peaks (8.08, 1.80, 32.18 ppm; 3.31 A): 4 out of 5 assignments used, quality = 0.92: * H LYS 39 + HB2 LYS 39 OK 81 100 - 81 - 4.0=55, 6605/1.8=13...(16) H LYS 13 + HB2 LYS 39 OK 32 96 - 33 - 6165/1.8=5, 1713/3.0=5...(11) H ILE 15 + HB2 LYS 39 OK 23 94 - 24 - 1666/3.0=3, 1713/3.0=3...(9) H GLU 75 + HB2 LYS 39 OK 17 97 - 17 - 1713/3.0=3, 1666/3.0=2...(7) H GLU 17 - HB2 LYS 39 lone 2 57 - 3 - Peak 1681 from cnoeabs.peaks (3.61, 1.80, 32.18 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 3.0=100 Peak 1682 from cnoeabs.peaks (1.80, 1.80, 32.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 Peak 1683 from cnoeabs.peaks (1.86, 1.80, 32.18 ppm; 2.40 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 1.8=100 HB3 LYS 68 - HB2 LYS 39 OK 37 94 - 40 - 1693=4, 1716/3.0=3...(15) HB2 LYS 12 - HB2 LYS 39 OK 32 100 - 32 - 1693=5, 1.8/1693=3...(13) HB3 LYS 12 - HB2 LYS 39 OK 31 99 - 31 - 1693=4, 1.8/1693=3...(13) HB3 GLU 104 - HB2 LYS 39 OK 15 96 - 16 - 4530=3, ~4524=1 HB VAL 5 - HB2 LYS 39 lone 7 100 - 7 - 10193/3.0=1 HB3 LYS 66 - HB2 LYS 39 lone 5 100 - 5 - Peak 1684 from cnoeabs.peaks (1.34, 1.80, 32.18 ppm; 3.46 A): 2 out of 12 assignments used, quality = 1.00: * HG2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 3.0=100 HG3 LYS 68 + HB2 LYS 39 OK 72 99 - 73 - 1717/3.0=7, 1703/3.0=7...(42) HG3 LYS 40 - HB2 LYS 39 OK 28 81 - 35 - 4.9/1690=10, 3.8/10561=4...(13) HG LEU 14 - HB2 LYS 39 OK 24 99 - 24 - ~10570=3, 1670/3.0=2...(12) HB2 LYS 82 - HB2 LYS 39 OK 19 100 - 19 - 3657/4.9=3, 1739/3.6=2...(5) HG2 LYS 94 - HB2 LYS 39 OK 18 98 - 18 - 4214/3.6=2, 1717/3.0=2...(6) HB3 LEU 27 - HB2 LYS 39 OK 16 100 - 16 - 1717/3.0=2, ~10484=1...(4) QB ALA 67 - HB2 LYS 39 OK 15 96 - 16 - 10784/1.8=3, 1670/3.0=2...(6) HB3 LEU 2 - HB2 LYS 39 OK 12 87 - 14 - 3.1/8956=2 QB ALA 89 - HB2 LYS 39 lone 7 98 - 7 - HG12 ILE 8 - HB2 LYS 39 lone 6 65 - 9 - 3.1/8956=1 QB ALA 25 - HB2 LYS 39 lone 5 98 - 5 - Peak 1685 from cnoeabs.peaks (1.44, 1.80, 32.18 ppm; 3.69 A): 3 out of 15 assignments used, quality = 1.00: * HG3 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 3.0=100 HG2 LYS 12 + HB2 LYS 39 OK 49 99 - 49 - 3.0/1683=6, 3.0/1683=5...(20) HG13 ILE 76 + HB2 LYS 39 OK 49 99 - 50 - 2.1/8956=9, 1.8/9666=5...(20) HB2 LEU 38 - HB2 LYS 39 OK 34 81 - 42 - 4.6/1680=10, 3.0/10561=5...(14) HG LEU 29 - HB2 LYS 39 OK 28 98 - 28 - ~10568=7, ~8671=2...(14) HG LEU 38 - HB2 LYS 39 OK 20 65 - 31 - 3.7/10561=4, 3.0/10545=4...(9) HG12 ILE 7 - HB2 LYS 39 OK 13 70 - 19 - 3.2/8956=3, ~12172=2...(6) HD2 LYS 82 - HB2 LYS 39 OK 13 65 - 19 - ~3705=2, 3.0/1688=2...(9) QB ALA 22 - HB2 LYS 39 OK 12 98 - 12 - 8582/1.8=2 HB2 LEU 27 - HB2 LYS 39 OK 12 73 - 16 - 1.8/1684=2, ~10484=1, 1707/3.0=1 HG2 LYS 13 - HB2 LYS 39 OK 11 90 - 13 - 4.8/1680=4, 517/4.0=1 HG13 ILE 52 - HB2 LYS 39 poor 9 73 - 13 - 2.1/10566=2, ~8953=2 HG3 ARG 91 - HB2 LYS 39 lone 6 90 - 6 - HG2 LYS 20 - HB2 LYS 39 lone 2 73 - 3 - HD2 LYS 53 - HB2 LYS 39 lone 1 65 - 2 - Peak 1686 from cnoeabs.peaks (1.65, 1.80, 32.18 ppm; 3.30 A): 5 out of 12 assignments used, quality = 1.00: * HD2 LYS 39 + HB2 LYS 39 OK 96 100 - 96 - 3.6=78, 1.8/1737=20...(39) HD3 LYS 39 + HB2 LYS 39 OK 80 84 - 96 - 3.6=78, 1738/1.8=11...(43) HD2 LYS 68 + HB2 LYS 39 OK 69 100 - 70 - 1726=8, 1.8/1726=5...(47) HD3 LYS 68 + HB2 LYS 39 OK 69 100 - 70 - 1726=7, 1.8/1726=6...(47) HG2 LYS 68 + HB2 LYS 39 OK 56 87 - 65 - 1.8/1684=7, 3024/1.8=6...(35) HB2 LYS 40 - HB2 LYS 39 OK 36 96 - 37 - 4.1/1690=12, 4.3/8883=4...(12) HB ILE 76 - HB2 LYS 39 OK 28 92 - 31 - 3.2/8956=6, 3.0/9666=3...(12) HB3 LEU 6 - HB2 LYS 39 lone 7 98 - 7 - 3.1/10566=1 HB ILE 52 - HB2 LYS 39 lone 6 73 - 8 - 3.2/10566=1, ~8953=1 HD3 LYS 73 - HB2 LYS 39 lone 3 90 - 3 - HD2 LYS 73 - HB2 LYS 39 lone 2 84 - 3 - HB3 ARG 79 - HB2 LYS 39 lone 2 100 - 2 - Peak 1687 from cnoeabs.peaks (1.64, 1.80, 32.18 ppm; 3.30 A): 5 out of 11 assignments used, quality = 1.00: * HD3 LYS 39 + HB2 LYS 39 OK 96 100 - 96 - 3.6=78, 1738/1.8=15...(43) HD2 LYS 39 + HB2 LYS 39 OK 80 84 - 96 - 3.6=78, 1.8/1737=20...(39) HG2 LYS 68 + HB2 LYS 39 OK 66 100 - 67 - 3024/1.8=8, 1.8/1684=7...(35) HD3 LYS 68 + HB2 LYS 39 OK 62 92 - 67 - 1.8/1726=6, 3.0/1684=5...(46) HD2 LYS 68 + HB2 LYS 39 OK 60 90 - 67 - 1.8/1726=5, 3.0/1684=5...(47) HB2 LYS 40 - HB2 LYS 39 OK 37 99 - 38 - 4.1/1690=12, 4.3/8883=4...(12) HB ILE 76 - HB2 LYS 39 OK 32 100 - 32 - 3.2/8956=6, 3422/3.0=3...(13) HD2 LYS 94 - HB2 LYS 39 poor 9 70 - 13 - 3.0/1684=1 HB3 LEU 6 - HB2 LYS 39 lone 6 97 - 6 - 3.1/10566=1 HG3 LYS 47 - HB2 LYS 39 lone 2 61 - 3 - 4.9/6766=1 HB3 ARG 79 - HB2 LYS 39 lone 1 84 - 1 - Peak 1688 from cnoeabs.peaks (2.87, 1.80, 32.18 ppm; 4.35 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 39 + HB2 LYS 39 OK 98 100 - 98 - 4.9=68, 3.0/1737=22...(44) HE3 LYS 39 + HB2 LYS 39 OK 96 98 - 98 - 4.9=68, 3.0/1737=22...(44) HE3 LYS 82 - HB2 LYS 39 OK 14 73 - 19 - 1710/3.0=2, ~3716=2...(8) Peak 1689 from cnoeabs.peaks (2.88, 1.80, 32.18 ppm; 4.35 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 39 + HB2 LYS 39 OK 98 100 - 98 - 4.9=68, 3.0/1737=22...(45) HE2 LYS 39 + HB2 LYS 39 OK 96 98 - 98 - 4.9=68, 3.0/1737=22...(44) HE2 LYS 66 - HB2 LYS 39 poor 9 65 - 13 - 1722/3.0=1, ~2933=1, ~2944=1 HB2 ASN 60 - HB2 LYS 39 lone 3 77 - 4 - Peak 1690 from cnoeabs.peaks (7.63, 1.80, 32.18 ppm; 3.93 A): 2 out of 3 assignments used, quality = 0.91: * H LYS 40 + HB2 LYS 39 OK 88 100 - 88 - 4.6=62, 6612/4.0=20...(17) HE22 GLN 50 + HB2 LYS 39 OK 20 94 - 21 - 1676/3.0=5, 1723/3.0=4...(5) H GLU 48 - HB2 LYS 39 poor 10 70 - 14 - 1676/3.0=2, 1723/3.0=2...(6) Peak 1691 from cnoeabs.peaks (8.08, 1.86, 32.18 ppm; 3.15 A): 4 out of 20 assignments used, quality = 0.97: * H LYS 39 + HB3 LYS 39 OK 72 100 - 73 - 4.0=47, 1680/1.8=17...(11) H LYS 13 + HB2 LYS 12 OK 58 83 - 70 - 4.2=42, 6163/4.0=13...(13) H LYS 13 + HB3 LYS 12 OK 54 77 - 70 - 4.2=42, 6163/4.0=13...(13) H LYS 39 + HB2 LYS 12 OK 36 90 - 40 - 6605=8, 6605/1.8=6...(15) H LYS 39 - HB3 LYS 12 OK 33 84 - 40 - 6605=8, 6605/1.8=6...(15) H LYS 13 - HB3 LYS 39 OK 32 96 - 33 - 6165=7, 1680/1.8=7...(10) H LYS 39 - HB3 LYS 68 OK 25 65 - 38 - 6605=7, 3.0/1669=4...(16) H ILE 15 - HB3 LYS 39 OK 19 94 - 20 - 1680/1.8=5, 1666/3.0=3...(7) H ILE 15 - HB2 LYS 12 OK 18 80 - 23 - 6206/3.0=5, 6160/4.0=4...(9) H ILE 15 - HB3 LYS 12 OK 17 75 - 23 - 6206/3.0=5, 6160/4.0=4...(9) H GLU 75 - HB3 LYS 39 OK 15 97 - 15 - 1680/1.8=4, 1713/3.0=2...(6) H GLU 75 - HB2 LYS 12 lone 6 84 - 7 - 390/3.0=1, 425/3.0=1 H LYS 13 - HB3 LYS 68 lone 6 58 - 9 - 6166=2, 3.6/382=1 H GLU 75 - HB3 LYS 12 lone 5 79 - 7 - 390/3.0=1, 425/3.0=1 H ILE 15 - HB3 LYS 68 lone 4 57 - 6 - H GLU 75 - HB3 LYS 68 lone 2 60 - 4 - H GLU 17 - HB2 LYS 12 lone 2 46 - 5 - H GLU 17 - HB3 LYS 12 lone 2 42 - 5 - H GLU 17 - HB3 LYS 39 lone 2 57 - 3 - H GLU 17 - HB3 LYS 68 lone 0 31 - 1 - Peak 1692 from cnoeabs.peaks (3.61, 1.86, 32.18 ppm; 3.72 A): 3 out of 4 assignments used, quality = 1.00: * HA LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 3.0=100 HA LYS 39 + HB2 LYS 12 OK 57 90 - 63 - 1669=9, 1669/1.8=7...(31) HA LYS 39 + HB3 LYS 12 OK 53 84 - 63 - 1669=9, 1669/1.8=7...(31) HA LYS 39 - HB3 LYS 68 OK 44 65 - 67 - 1669=9, 1703/2.9=8...(34) Peak 1693 from cnoeabs.peaks (1.80, 1.86, 32.18 ppm; 2.40 A): 1 out of 32 assignments used, quality = 1.00: * HB2 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 1.8=100 HB2 LEU 42 - HB3 LYS 39 OK 35 94 - 37 - 1909/3.0=6, ~1918=5...(18) HB2 LYS 39 - HB2 LYS 12 OK 31 90 - 34 - 1683=7, 1683/1.8=4...(13) HB2 LYS 39 - HB3 LYS 12 OK 29 84 - 34 - 1683=7, 1683/1.8=4...(13) HB2 LYS 39 - HB3 LYS 68 OK 27 65 - 42 - 1683=8, 3.0/1716=3...(15) HB2 GLU 104 - HB3 LYS 39 OK 16 90 - 17 - 4524=3, 3.0/4538=2...(6) HG3 ARG 46 - HB3 LYS 39 OK 10 90 - 12 - ~2091=1, 1715/3.0=1 HB ILE 93 - HB3 LYS 39 OK 10 99 - 10 - 1715/3.0=1 HB2 LYS 90 - HB3 LYS 68 poor 9 46 - 20 - 3927/1.8=3, 1.8/3001=3...(9) HB2 LYS 90 - HB3 LYS 39 lone 5 81 - 6 - HB2 GLU 104 - HB2 LYS 12 lone 4 76 - 6 - 4524=1 HB VAL 78 - HB3 LYS 68 poor 4 36 - 12 - 2.1/10351=3, 2.1/10350=2...(4) HB2 GLU 104 - HB3 LYS 12 lone 4 70 - 6 - 4524=1 HB2 GLU 88 - HB3 LYS 39 lone 4 90 - 4 - HB2 LYS 90 - HB2 LYS 12 lone 3 67 - 5 - HB VAL 78 - HB3 LYS 39 lone 3 65 - 5 - HB2 LYS 90 - HB3 LYS 12 lone 3 61 - 5 - HB2 LEU 42 - HB2 LYS 12 lone 3 80 - 4 - HB2 GLU 104 - HB3 LYS 68 lone 3 53 - 5 - 4524=1 HB2 LEU 42 - HB3 LYS 12 lone 3 75 - 4 - HB2 LEU 42 - HB3 LYS 68 lone 3 57 - 5 - 1917/4.0=1 HG3 ARG 46 - HB3 LYS 68 lone 3 53 - 5 - HB ILE 93 - HB2 LYS 12 lone 2 87 - 2 - HB ILE 93 - HB3 LYS 12 lone 2 81 - 2 - HB ILE 93 - HB3 LYS 68 lone 1 63 - 2 - HB VAL 78 - HB2 LYS 12 lone 1 53 - 2 - HB2 GLU 88 - HB3 LYS 68 lone 1 53 - 2 - HB VAL 78 - HB3 LYS 12 lone 1 49 - 2 - HG3 ARG 46 - HB2 LYS 12 lone 1 76 - 1 - HG3 ARG 46 - HB3 LYS 12 lone 1 70 - 1 - HB2 GLU 88 - HB2 LYS 12 lone 1 76 - 1 - HB2 GLU 88 - HB3 LYS 12 lone 1 70 - 1 - Peak 1694 from cnoeabs.peaks (1.86, 1.86, 32.18 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 HB2 LYS 12 + HB2 LYS 12 OK 90 90 - 100 HB3 LYS 12 + HB3 LYS 12 OK 83 83 - 100 HB3 LYS 68 + HB3 LYS 68 OK 57 57 - 100 Peak 1695 from cnoeabs.peaks (1.34, 1.86, 32.18 ppm; 3.23 A): 5 out of 48 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 3.0=100 HG3 LYS 68 + HB3 LYS 39 OK 66 99 - 67 - 1.8/3024=7, 1684/1.8=7...(37) HG3 LYS 68 + HB3 LYS 68 OK 64 64 - 100 - 2.9=100 HG2 LYS 39 + HB2 LYS 12 OK 47 90 - 52 - 1.8/1716=6, 1705=5...(22) HG2 LYS 39 + HB3 LYS 68 OK 46 65 - 70 - 1.8/1716=7, 1705=7...(40) HG2 LYS 39 - HB3 LYS 12 OK 44 84 - 52 - 1.8/1716=6, 1705=5...(22) HG3 LYS 68 - HB2 LYS 12 OK 25 88 - 28 - 1.8/3024=3, 3035=3...(9) HG3 LYS 68 - HB3 LYS 12 OK 23 83 - 28 - 1.8/3024=3, 3035=3...(8) HG3 LYS 40 - HB3 LYS 39 OK 22 81 - 27 - 1817/4.6=6, 1684/1.8=3...(11) QB ALA 67 - HB3 LYS 68 OK 21 58 - 36 - 2985/4.0=12, 2.9/7087=5...(9) HG LEU 14 - HB3 LYS 39 OK 20 99 - 20 - ~10570=3, 1684/1.8=2...(7) HB3 LEU 27 - HB2 LYS 12 OK 19 90 - 21 - 3.1/10484=3, ~10484=2...(5) QB ALA 67 - HB3 LYS 39 OK 18 96 - 18 - 3.6/7108=3, 10784=3...(7) HB3 LEU 27 - HB3 LYS 12 OK 17 84 - 21 - 3.1/10484=3, ~10484=2...(5) QB ALA 67 - HB2 LYS 12 OK 17 83 - 20 - 2.9/7087=3, 10784=3...(8) HB2 LYS 82 - HB3 LYS 39 OK 17 100 - 17 - 3657/4.9=3, 1684/1.8=2...(5) QB ALA 67 - HB3 LYS 12 OK 16 77 - 21 - 2.9/7087=3, 10784=3...(7) HG2 LYS 94 - HB3 LYS 68 OK 15 61 - 24 - 4214/2.9=3, 3003/1.8=2...(9) HB3 LEU 27 - HB3 LYS 39 OK 15 100 - 15 - 1684/1.8=2, 3.1/10484=1 HG2 LYS 94 - HB3 LYS 39 OK 14 98 - 14 - 1684/1.8=2, 4214/3.6=1 HG3 LYS 40 - HB3 LYS 68 OK 11 46 - 25 - 3026/2.9=3, 4.9/6621=2...(12) HB3 LEU 2 - HB3 LYS 39 poor 10 87 - 11 - 1684/1.8=1, ~8956=1 HB3 LEU 27 - HB3 LYS 68 poor 9 65 - 13 - 3.1/10484=1, 3003/1.8=1 HG2 LYS 94 - HB2 LYS 12 lone 8 86 - 9 - 4209/3.0=1 HG2 LYS 94 - HB3 LYS 12 lone 8 80 - 9 - 4209/3.0=1 HG3 LYS 40 - HB2 LYS 12 poor 7 67 - 10 - 4.9/6621=2 HG LEU 14 - HB3 LYS 68 poor 7 63 - 11 - 3026/2.9=1, ~10570=1 HG3 LYS 40 - HB3 LYS 12 poor 6 61 - 10 - 4.9/6621=2 HG LEU 14 - HB2 LYS 12 lone 5 87 - 6 - 617/4.2=3 HG12 ILE 8 - HB3 LYS 39 lone 5 65 - 7 - HB2 LYS 82 - HB3 LYS 68 lone 5 65 - 7 - HG LEU 14 - HB3 LYS 12 lone 5 81 - 6 - 617/4.2=3 QB ALA 89 - HB3 LYS 39 lone 5 98 - 5 - QB ALA 25 - HB3 LYS 39 lone 4 98 - 4 - QB ALA 25 - HB2 LYS 12 lone 4 86 - 4 - 10334/3.0=1 QB ALA 25 - HB3 LYS 12 lone 3 80 - 4 - 10334/3.0=1 HB3 LEU 2 - HB2 LYS 12 lone 3 73 - 4 - HB3 LEU 2 - HB3 LYS 12 lone 3 67 - 4 - QB ALA 25 - HB3 LYS 68 lone 3 61 - 4 - QB ALA 89 - HB3 LYS 68 lone 2 61 - 4 - HB2 LYS 82 - HB2 LYS 12 lone 2 90 - 2 - HB2 LYS 82 - HB3 LYS 12 lone 2 84 - 2 - HB3 LEU 2 - HB3 LYS 68 lone 2 50 - 4 - HG12 ILE 8 - HB3 LYS 68 lone 1 36 - 4 - QB ALA 89 - HB2 LYS 12 lone 1 86 - 1 - HG12 ILE 8 - HB2 LYS 12 lone 1 53 - 2 - QB ALA 89 - HB3 LYS 12 lone 1 80 - 1 - HG12 ILE 8 - HB3 LYS 12 lone 1 49 - 2 - Peak 1696 from cnoeabs.peaks (1.44, 1.86, 32.18 ppm; 3.00 A): 4 out of 60 assignments used, quality = 1.00: * HG3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 3.0=100 HG2 LYS 12 + HB2 LYS 12 OK 88 88 - 100 - 3.0=100 HG2 LYS 12 + HB3 LYS 12 OK 83 83 - 100 - 3.0=100 HG3 LYS 39 + HB2 LYS 12 OK 46 90 - 51 - 1716=8, 1716/1.8=5...(22) HG3 LYS 39 - HB3 LYS 68 OK 43 65 - 65 - 1716=10, 1717/2.9=6...(33) HG3 LYS 39 - HB3 LYS 12 OK 42 84 - 50 - 1716=7, 1716/1.8=5...(21) HG13 ILE 76 - HB3 LYS 39 OK 35 99 - 35 - ~8956=4, 1685/1.8=3...(15) HG2 LYS 12 - HB3 LYS 39 OK 34 99 - 34 - 417=5, 1685/1.8=3...(16) HG LEU 29 - HB2 LYS 12 OK 22 86 - 26 - 3.6/8668=2, 3.0/8670=2...(12) HG2 LYS 13 - HB2 LYS 12 OK 21 76 - 28 - 517/4.2=5, 384/3.0=2...(7) HG LEU 29 - HB3 LYS 12 OK 21 80 - 26 - 3.6/8668=2, 3.0/8670=2...(12) HG LEU 29 - HB3 LYS 39 OK 20 98 - 21 - ~10568=4, 1685/1.8=2...(7) HG2 LYS 13 - HB3 LYS 12 OK 19 70 - 28 - 517/4.2=5, 384/3.0=2...(7) HB2 LEU 38 - HB3 LYS 39 OK 18 81 - 23 - 4.6/6605=4, 1671/3.0=3...(10) HG LEU 29 - HB3 LYS 68 OK 16 61 - 26 - ~8671=3, ~8685=3...(13) HG2 LYS 12 - HB3 LYS 68 OK 12 64 - 18 - 418=3, 1.8/429=1, 787/3.0=1 HG LEU 38 - HB3 LYS 39 OK 11 65 - 17 - 6598/4.0=2, 1671/3.0=2...(7) HB2 LEU 27 - HB2 LYS 12 OK 11 60 - 18 - 3.1/10484=2, ~10484=2...(4) HB2 LEU 27 - HB3 LYS 12 poor 10 55 - 18 - 3.1/10484=2, ~10484=2...(4) HG13 ILE 76 - HB2 LYS 12 poor 10 87 - 11 - 384/3.0=1, 6176/4.2=1 HG13 ILE 76 - HB3 LYS 12 poor 9 81 - 11 - 384/3.0=1, 6176/4.2=1 HG12 ILE 7 - HB3 LYS 39 poor 8 70 - 12 - ~8285=1, 3.2/8957=1 QB ALA 22 - HB2 LYS 12 lone 8 86 - 10 - 8582/1.8=1, 8581/3.0=1 QB ALA 22 - HB3 LYS 39 lone 8 98 - 8 - HB2 LEU 27 - HB3 LYS 39 poor 8 73 - 11 - 3.1/10484=1 HD2 LYS 82 - HB3 LYS 39 poor 8 65 - 12 - ~3705=1 QB ALA 22 - HB3 LYS 12 lone 8 80 - 10 - 8581/3.0=1, 8582/1.8=1 HB2 LEU 38 - HB2 LYS 12 poor 7 67 - 11 - 4.6/6605=2, 1633/4.2=2 HG2 LYS 13 - HB3 LYS 39 lone 7 90 - 8 - 4.8/6165=2 HG13 ILE 76 - HB3 LYS 68 poor 7 63 - 11 - HB2 LEU 38 - HB3 LYS 12 poor 7 61 - 11 - 4.6/6605=2, 1633/4.2=2 QB ALA 22 - HB3 LYS 68 poor 7 61 - 11 - 1007/3.0=3, ~786=2, 8582=1 HG13 ILE 52 - HB3 LYS 39 lone 6 73 - 7 - ~8953=1, ~10566=1 HB2 LEU 27 - HB3 LYS 68 lone 3 41 - 8 - 3.1/10484=1 HG LEU 38 - HB2 LYS 12 lone 3 53 - 6 - HG LEU 38 - HB3 LYS 12 lone 3 49 - 6 - HB2 LEU 38 - HB3 LYS 68 lone 3 46 - 6 - 4.6/6605=2, ~12320=1 HG3 ARG 91 - HB3 LYS 39 lone 2 90 - 3 - HG13 ILE 52 - HB2 LYS 12 lone 2 60 - 4 - HD2 LYS 53 - HB3 LYS 68 lone 2 36 - 6 - ~2450=2, 2439/1.8=1 HG3 ARG 91 - HB2 LYS 12 lone 2 76 - 3 - HG13 ILE 52 - HB3 LYS 12 lone 2 55 - 4 - HG3 ARG 91 - HB3 LYS 12 lone 2 70 - 3 - HG2 LYS 20 - HB3 LYS 68 lone 2 41 - 5 - HG12 ILE 7 - HB2 LYS 12 lone 2 57 - 3 - HG LEU 38 - HB3 LYS 68 lone 2 36 - 5 - ~12320=1 HG12 ILE 7 - HB3 LYS 12 lone 2 52 - 3 - HG2 LYS 13 - HB3 LYS 68 lone 1 53 - 2 - HG2 LYS 20 - HB3 LYS 39 lone 1 73 - 2 - HG12 ILE 7 - HB3 LYS 68 lone 1 38 - 3 - HD2 LYS 82 - HB2 LYS 12 lone 1 53 - 2 - HG2 LYS 20 - HB2 LYS 12 lone 1 60 - 2 - HD2 LYS 82 - HB3 LYS 68 lone 1 36 - 3 - HG2 LYS 20 - HB3 LYS 12 lone 1 55 - 2 - HD2 LYS 82 - HB3 LYS 12 lone 1 49 - 2 - HD2 LYS 53 - HB3 LYS 39 lone 1 65 - 1 - HD2 LYS 53 - HB2 LYS 12 lone 1 53 - 1 - HD2 LYS 53 - HB3 LYS 12 lone 1 49 - 1 - HG13 ILE 52 - HB3 LYS 68 lone 1 41 - 1 - HG3 ARG 91 - HB3 LYS 68 lone 1 53 - 1 - Peak 1697 from cnoeabs.peaks (1.65, 1.86, 32.18 ppm; 2.66 A): 6 out of 48 assignments used, quality = 0.99: * HD2 LYS 39 + HB3 LYS 39 OK 77 100 - 77 - 3.6=40, 1.8/1738=10...(32) HD3 LYS 39 + HB3 LYS 39 OK 64 84 - 76 - 3.6=40, 1737/1.8=9...(34) HD2 LYS 68 + HB3 LYS 68 OK 49 65 - 75 - 3.5=44, 3056/1.8=7...(33) HD3 LYS 68 + HB3 LYS 68 OK 48 64 - 75 - 3.5=44, 3056/1.8=7...(33) HD2 LYS 68 + HB3 LYS 39 OK 47 100 - 48 - 1726/1.8=4, 3.0/3024=3...(23) HD3 LYS 68 + HB3 LYS 39 OK 47 100 - 47 - 1726/1.8=4, 3.0/3024=3...(23) HG2 LYS 68 - HB3 LYS 68 OK 44 50 - 88 - 2.9=79, 3005/1.8=5...(20) HG2 LYS 68 - HB3 LYS 39 OK 40 87 - 47 - 3024=4, 3026/3.0=3...(22) HD2 LYS 39 - HB3 LYS 68 OK 29 65 - 45 - 1.8/1738=6, 3045/1.8=4...(20) HD2 LYS 39 - HB2 LYS 12 OK 27 90 - 30 - 1.8/1738=4, 3.0/1716=3...(12) HD2 LYS 39 - HB3 LYS 12 OK 26 84 - 30 - 1.8/1738=4, 3.0/1716=3...(12) HD3 LYS 39 - HB3 LYS 68 OK 23 48 - 47 - 1738=5, 3.0/1716=4...(23) HD3 LYS 39 - HB2 LYS 12 OK 22 70 - 31 - 1738=4, 1738/1.8=3...(12) HD3 LYS 39 - HB3 LYS 12 OK 20 64 - 31 - 1738=4, 1738/1.8=3...(12) HB2 LYS 40 - HB3 LYS 39 OK 19 96 - 20 - 1783/4.6=6, 1686/1.8=2...(8) HB ILE 76 - HB3 LYS 39 OK 16 92 - 18 - ~8956=2, 3422/3.0=2...(7) HD2 LYS 68 - HB2 LYS 12 OK 15 90 - 17 - 3.0/3024=1, 1727=1, 3.5/3001=1 HD3 LYS 68 - HB2 LYS 12 OK 15 89 - 17 - 3.0/3024=1, 1727=1, 3.5/3001=1 HD2 LYS 68 - HB3 LYS 12 OK 14 84 - 17 - 3.0/3024=1, 1727=1, 3.5/3001=1 HD3 LYS 68 - HB3 LYS 12 OK 14 83 - 17 - 3.0/3024=1, 1727=1, 3.5/3001=1 HG2 LYS 68 - HB2 LYS 12 OK 12 73 - 17 - 3024/1.8=2, 3024=2...(4) HG2 LYS 68 - HB3 LYS 12 OK 11 67 - 17 - 3024=2, 3024/1.8=2...(4) HB2 LYS 40 - HB3 LYS 68 poor 8 58 - 14 - 4.1/6621=2, 1788/2.9=2, ~1800=1 HB2 LYS 40 - HB2 LYS 12 lone 8 83 - 9 - 4.1/6621=2 HB2 LYS 40 - HB3 LYS 12 lone 7 77 - 9 - 4.1/6621=2 HD3 LYS 73 - HB2 LYS 12 lone 5 76 - 6 - HD3 LYS 73 - HB3 LYS 12 lone 4 70 - 6 - HD2 LYS 73 - HB2 LYS 12 lone 4 70 - 6 - HB3 LEU 6 - HB3 LYS 39 lone 4 98 - 4 - HD2 LYS 73 - HB3 LYS 12 lone 4 64 - 6 - HB ILE 76 - HB2 LYS 12 lone 4 78 - 5 - HB ILE 76 - HB3 LYS 12 lone 4 72 - 5 - HB3 LEU 6 - HB3 LYS 68 lone 3 61 - 6 - 4.0/6060=1 HB ILE 52 - HB3 LYS 39 lone 3 73 - 4 - HB ILE 76 - HB3 LYS 68 lone 3 55 - 5 - HD3 LYS 73 - HB3 LYS 39 lone 1 90 - 1 - HB3 LEU 6 - HB2 LYS 12 lone 1 86 - 2 - HB3 ARG 79 - HB3 LYS 68 lone 1 65 - 2 - HB3 LEU 6 - HB3 LYS 12 lone 1 80 - 2 - HD2 LYS 73 - HB3 LYS 39 lone 1 84 - 1 - HB ILE 52 - HB2 LYS 12 lone 1 60 - 2 - HB ILE 52 - HB3 LYS 12 lone 1 55 - 2 - HB3 ARG 79 - HB3 LYS 39 lone 1 100 - 1 - HB3 ARG 79 - HB2 LYS 12 lone 1 90 - 1 - HB3 ARG 79 - HB3 LYS 12 lone 1 84 - 1 - HD3 LYS 73 - HB3 LYS 68 lone 1 53 - 1 - HD2 LYS 73 - HB3 LYS 68 lone 1 48 - 1 - HB ILE 52 - HB3 LYS 68 lone 0 41 - 1 - Peak 1698 from cnoeabs.peaks (1.64, 1.86, 32.18 ppm; 2.66 A): 4 out of 44 assignments used, quality = 0.98: * HD3 LYS 39 + HB3 LYS 39 OK 79 100 - 79 - 3.6=40, 1737/1.8=13...(34) HD2 LYS 39 + HB3 LYS 39 OK 64 84 - 76 - 3.6=40, 1.8/1738=10...(32) HG2 LYS 68 + HB3 LYS 68 OK 58 65 - 88 - 2.9=79, 3002/1.8=6...(20) HG2 LYS 68 + HB3 LYS 39 OK 49 100 - 49 - 3024=6, 3026/3.0=4...(22) HD3 LYS 68 - HB3 LYS 39 OK 42 92 - 45 - 3.0/3024=3, 1687/1.8=3...(23) HD3 LYS 68 - HB3 LYS 68 OK 41 55 - 74 - 3.5=44, 3056/1.8=6...(33) HD2 LYS 68 - HB3 LYS 39 OK 40 90 - 45 - 3.0/3024=3, 1687/1.8=3...(23) HD2 LYS 68 - HB3 LYS 68 OK 39 53 - 74 - 3.5=44, 3056/1.8=6...(33) HD3 LYS 39 - HB3 LYS 68 OK 32 65 - 50 - 1738=7, 1739/2.9=5...(23) HD3 LYS 39 - HB2 LYS 12 OK 30 90 - 34 - 1738=5, 1738/1.8=4...(12) HD3 LYS 39 - HB3 LYS 12 OK 28 84 - 34 - 1738=5, 1738/1.8=4...(12) HD2 LYS 39 - HB3 LYS 68 OK 21 48 - 44 - 1.8/1738=6, 3.0/1716=4...(19) HD2 LYS 39 - HB2 LYS 12 OK 20 70 - 29 - 1.8/1738=4, 3.0/1716=3...(11) HB2 LYS 40 - HB3 LYS 39 OK 20 99 - 20 - 1783/4.6=6, 1687/1.8=2...(8) HD2 LYS 39 - HB3 LYS 12 OK 18 64 - 29 - 1.8/1738=4, 3.0/1716=3...(11) HB ILE 76 - HB3 LYS 39 OK 18 100 - 18 - 3422/3.0=2, ~8956=2...(7) HG2 LYS 68 - HB2 LYS 12 OK 16 90 - 18 - 3024/1.8=2, 3024=2...(4) HG2 LYS 68 - HB3 LYS 12 OK 15 84 - 18 - 3024=2, 3024/1.8=2...(4) HD3 LYS 68 - HB2 LYS 12 OK 12 78 - 16 - 3.0/3024=1, 3.5/3001=1 HD2 LYS 68 - HB2 LYS 12 OK 12 76 - 16 - 3.0/3024=1, 3.5/3001=1 HD3 LYS 68 - HB3 LYS 12 OK 11 72 - 16 - 3.0/3024=1, 3.5/3001=1 HD2 LYS 68 - HB3 LYS 12 OK 11 70 - 16 - 3.0/3024=1, 3.5/3001=1 HB2 LYS 40 - HB3 LYS 68 poor 9 63 - 15 - 1788/2.9=2, 4.1/6621=2, ~1800=1 HB2 LYS 40 - HB2 LYS 12 lone 8 87 - 9 - 4.1/6621=2 HB2 LYS 40 - HB3 LYS 12 lone 7 81 - 9 - 4.1/6621=2 HD2 LYS 94 - HB3 LYS 68 poor 7 38 - 19 - 4234/2.9=1, ~4245=1 HB ILE 76 - HB2 LYS 12 lone 5 89 - 5 - HD2 LYS 94 - HB3 LYS 39 lone 5 70 - 6 - HB ILE 76 - HB3 LYS 12 lone 4 83 - 5 - HB3 LEU 6 - HB3 LYS 39 lone 4 97 - 4 - HB ILE 76 - HB3 LYS 68 lone 4 64 - 6 - HB3 LEU 6 - HB3 LYS 68 lone 3 60 - 6 - 4.0/6060=1 HD2 LYS 94 - HB2 LYS 12 lone 3 57 - 5 - HD2 LYS 94 - HB3 LYS 12 lone 3 52 - 5 - HB3 LEU 6 - HB2 LYS 12 lone 1 84 - 2 - HB3 LEU 6 - HB3 LYS 12 lone 1 79 - 2 - HB3 ARG 79 - HB3 LYS 68 lone 1 48 - 2 - HG3 LYS 47 - HB2 LYS 12 lone 1 50 - 1 - HB3 ARG 79 - HB3 LYS 39 lone 1 84 - 1 - HG3 LYS 47 - HB3 LYS 12 lone 1 45 - 1 - HB3 ARG 79 - HB2 LYS 12 lone 1 70 - 1 - HB3 ARG 79 - HB3 LYS 12 lone 1 64 - 1 - HG3 LYS 47 - HB3 LYS 39 lone 0 61 - 1 - HG3 LYS 47 - HB3 LYS 68 lone 0 33 - 1 - Peak 1699 from cnoeabs.peaks (2.87, 1.86, 32.18 ppm; 3.86 A): 2 out of 12 assignments used, quality = 0.99: * HE2 LYS 39 + HB3 LYS 39 OK 94 100 - 94 - 4.9=48, 1743/3.6=15...(37) HE3 LYS 39 + HB3 LYS 39 OK 92 98 - 94 - 4.9=48, 1743/3.6=15...(37) HE2 LYS 39 - HB3 LYS 68 OK 42 65 - 65 - 3.0/1738=8, 3.5/1716=6...(37) HE2 LYS 39 - HB2 LYS 12 OK 40 90 - 45 - 3.0/1738=6, 3.5/1716=5...(19) HE3 LYS 39 - HB3 LYS 68 OK 39 61 - 64 - 3.0/1738=8, 3.5/1716=6...(37) HE3 LYS 39 - HB2 LYS 12 OK 38 86 - 45 - 3.0/1738=6, 3.5/1716=5...(19) HE2 LYS 39 - HB3 LYS 12 OK 38 84 - 45 - 3.0/1738=6, 3.5/1716=5...(19) HE3 LYS 39 - HB3 LYS 12 OK 36 80 - 45 - 3.0/1738=6, 3.5/1716=5...(19) HE3 LYS 82 - HB3 LYS 39 OK 11 73 - 15 - 1688/1.8=2, 1710/3.0=2...(6) HE3 LYS 82 - HB3 LYS 68 lone 2 41 - 4 - HE3 LYS 82 - HB2 LYS 12 lone 1 60 - 2 - HE3 LYS 82 - HB3 LYS 12 lone 1 55 - 2 - Peak 1700 from cnoeabs.peaks (2.88, 1.86, 32.18 ppm; 3.86 A): 2 out of 16 assignments used, quality = 0.99: * HE3 LYS 39 + HB3 LYS 39 OK 94 100 - 94 - 4.9=48, 1744/3.6=16...(37) HE2 LYS 39 + HB3 LYS 39 OK 92 98 - 94 - 4.9=48, 1744/3.6=15...(37) HE3 LYS 39 - HB3 LYS 68 OK 42 65 - 65 - 3.0/1738=8, 3.5/1716=6...(37) HE3 LYS 39 - HB2 LYS 12 OK 41 90 - 45 - 3.0/1738=6, 3.5/1716=5...(19) HE2 LYS 39 - HB3 LYS 68 OK 39 61 - 64 - 3.0/1738=8, 3.5/1716=6...(37) HE2 LYS 39 - HB2 LYS 12 OK 38 86 - 45 - 3.0/1738=6, 3.5/1716=5...(19) HE3 LYS 39 - HB3 LYS 12 OK 38 84 - 45 - 3.0/1738=6, 3.5/1716=5...(19) HE2 LYS 39 - HB3 LYS 12 OK 35 80 - 44 - 3.0/1738=6, 3.5/1716=5...(19) HE2 LYS 66 - HB2 LYS 12 OK 27 53 - 50 - 2.9/2933=7, 2.9/2944=6...(21) HE2 LYS 66 - HB3 LYS 12 OK 24 49 - 50 - 2.9/2933=7, 2.9/2944=6...(21) HE2 LYS 66 - HB3 LYS 68 OK 12 36 - 34 - 2.9/2944=3, 2.9/2933=3...(17) HE2 LYS 66 - HB3 LYS 39 poor 8 65 - 12 - 1689/1.8=1, 2.9/2933=1 HB2 ASN 60 - HB3 LYS 39 lone 2 77 - 2 - HB2 ASN 60 - HB2 LYS 12 lone 1 64 - 2 - HB2 ASN 60 - HB3 LYS 12 lone 1 58 - 2 - HB2 ASN 60 - HB3 LYS 68 lone 1 43 - 1 - Peak 1701 from cnoeabs.peaks (7.63, 1.86, 32.18 ppm; 3.80 A): 3 out of 12 assignments used, quality = 0.93: * H LYS 40 + HB3 LYS 39 OK 83 100 - 84 - 4.6=56, 1690/1.8=26...(11) H LYS 40 + HB2 LYS 12 OK 38 90 - 42 - 6621=9, 6621/1.8=8...(12) H LYS 40 + HB3 LYS 12 OK 35 84 - 42 - 6621=9, 6621/1.8=8...(12) H LYS 40 - HB3 LYS 68 OK 24 65 - 36 - 6621=7, 3.6/1669=5...(11) HE22 GLN 50 - HB3 LYS 39 OK 19 94 - 20 - 1690/1.8=6, 1676/3.0=5...(5) H GLU 48 - HB3 LYS 39 poor 8 70 - 11 - 1690/1.8=3, 1676/3.0=2...(5) HE22 GLN 50 - HB2 LYS 12 lone 3 80 - 4 - HE22 GLN 50 - HB3 LYS 12 lone 3 75 - 4 - H GLU 48 - HB2 LYS 12 lone 2 57 - 4 - ~10619=1 H GLU 48 - HB3 LYS 12 lone 2 52 - 4 - ~10619=1 HE22 GLN 50 - HB3 LYS 68 lone 2 57 - 3 - H GLU 48 - HB3 LYS 68 lone 1 38 - 2 - Peak 1702 from cnoeabs.peaks (8.08, 1.34, 25.61 ppm; 4.44 A): 3 out of 10 assignments used, quality = 0.98: * H LYS 39 + HG2 LYS 39 OK 94 100 - 94 - 5.2=63, 1680/3.0=22...(17) H LYS 13 + HG2 LYS 39 OK 47 96 - 49 - 1713/1.8=11, 1680/3.0=9...(13) H ILE 15 + HG2 LYS 39 OK 45 94 - 48 - 1713/1.8=7, 1680/3.0=6...(17) H LYS 39 - HG3 LYS 68 OK 40 61 - 66 - 3.0/1703=11, 6606=10...(21) H GLU 75 - HG2 LYS 39 OK 30 97 - 31 - 1713/1.8=6, 1735/3.0=5...(10) H ILE 15 - HG3 LYS 68 poor 10 52 - 18 - 6213=2, 4.9/10570=2...(7) H LYS 13 - HG3 LYS 68 poor 9 54 - 17 - ~10790=2, 6166/2.9=2...(7) H GLU 17 - HG2 LYS 39 lone 5 57 - 9 - 4.6/8334=1 H GLU 75 - HG3 LYS 68 lone 4 56 - 8 - H GLU 17 - HG3 LYS 68 lone 1 28 - 4 - Peak 1703 from cnoeabs.peaks (3.61, 1.34, 25.61 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.9=100 HA LYS 39 - HG3 LYS 68 OK 44 61 - 73 - 1670=11, 3.0/1684=8...(34) Peak 1704 from cnoeabs.peaks (1.80, 1.34, 25.61 ppm; 3.50 A): 3 out of 16 assignments used, quality = 1.00: * HB2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.0=100 HB2 LEU 42 + HG2 LYS 39 OK 51 94 - 55 - 1909/3.9=14, 3.1/10570=9...(18) HB2 LYS 39 + HG3 LYS 68 OK 45 61 - 75 - 1684=11, 3.0/1717=8...(43) HB ILE 93 - HG2 LYS 39 OK 28 99 - 28 - 1715/1.8=4, 2.1/10320=3...(12) HG3 ARG 46 - HG2 LYS 39 OK 23 90 - 26 - 1715/1.8=3, ~12073=2...(11) HB2 GLU 104 - HG2 LYS 39 OK 23 90 - 26 - 1715/1.8=3, 4524/3.0=3...(11) HB2 LYS 90 - HG3 LYS 68 OK 15 42 - 37 - ~3023=5, 3927/2.9=4...(21) HB2 LYS 90 - HG2 LYS 39 OK 12 81 - 14 - 1715/1.8=2, 1737/3.0=1...(4) HB VAL 78 - HG2 LYS 39 OK 11 65 - 16 - 1737/3.0=2, ~9690=2...(4) HB VAL 78 - HG3 LYS 68 poor 8 33 - 24 - ~10351=4, ~10289=3...(10) HB2 GLU 88 - HG2 LYS 39 lone 8 90 - 8 - HB2 LEU 42 - HG3 LYS 68 poor 7 52 - 14 - 1917/4.6=3, 1909/1703=2 HG3 ARG 46 - HG3 LYS 68 lone 5 49 - 10 - ~3023=1 HB ILE 93 - HG3 LYS 68 lone 5 58 - 8 - 4.4/7515=1, 2.1/10320=1 HB2 GLU 104 - HG3 LYS 68 lone 4 49 - 8 - HB2 GLU 88 - HG3 LYS 68 lone 3 49 - 5 - Peak 1705 from cnoeabs.peaks (1.86, 1.34, 25.61 ppm; 3.18 A): 5 out of 14 assignments used, quality = 1.00: * HB3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.0=100 HB3 LYS 68 + HG2 LYS 39 OK 63 94 - 67 - 1716/1.8=7, 2.9/3026=6...(37) HB3 LYS 68 + HG3 LYS 68 OK 52 52 - 100 - 2.9=100 HB2 LYS 12 + HG2 LYS 39 OK 48 100 - 49 - 1716/1.8=6, 1683/3.0=4...(22) HB3 LYS 12 + HG2 LYS 39 OK 48 99 - 48 - 1716/1.8=6, 1683/3.0=4...(22) HB3 LYS 39 - HG3 LYS 68 OK 39 61 - 64 - 1.8/1684=7, 3024/1.8=7...(34) HB3 GLU 104 - HG2 LYS 39 OK 19 96 - 20 - 4530/3.0=3, 1716/1.8=2...(9) HB2 LYS 12 - HG3 LYS 68 OK 16 60 - 26 - 3024/1.8=3, ~3024=2...(9) HB VAL 5 - HG2 LYS 39 OK 15 100 - 15 - 10193/1.8=3, 2.1/10194=1...(5) HB3 LYS 12 - HG3 LYS 68 OK 15 59 - 26 - 3024/1.8=3, 3001/2.9=2...(8) HB3 LYS 66 - HG3 LYS 68 OK 13 61 - 22 - 7108/4.6=2, 3024/1.8=2...(10) HB3 LYS 66 - HG2 LYS 39 OK 11 100 - 11 - HB VAL 5 - HG3 LYS 68 poor 9 61 - 15 - 10368/4.0=2, 3024/1.8=2...(6) HB3 GLU 104 - HG3 LYS 68 lone 4 54 - 7 - Peak 1706 from cnoeabs.peaks (1.34, 1.34, 25.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 HG3 LYS 68 + HG3 LYS 68 OK 59 59 - 100 Peak 1707 from cnoeabs.peaks (1.44, 1.34, 25.61 ppm; 2.65 A): 1 out of 30 assignments used, quality = 1.00: * HG3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 1.8=100 HG3 LYS 39 - HG3 LYS 68 OK 33 61 - 55 - 1717=11, 3.0/1739=4...(23) HG13 ILE 76 - HG2 LYS 39 OK 29 99 - 29 - 2.1/10569=4, 1740/3.0=3...(14) HG2 LYS 12 - HG2 LYS 39 OK 25 99 - 25 - 1740/3.0=2, 417/3.0=2...(10) HG LEU 29 - HG2 LYS 39 OK 15 98 - 15 - ~10568=4, ~1307=1...(5) HB2 LEU 38 - HG2 LYS 39 OK 12 81 - 15 - 4.6/1702=2, 1671/3.9=2...(4) HD2 LYS 82 - HG2 LYS 39 OK 10 65 - 16 - 1.8/3705=2, 2.9/3683=1...(6) HB2 LEU 27 - HG2 LYS 39 poor 9 73 - 12 - 1191=1 HG12 ILE 7 - HG2 LYS 39 poor 7 70 - 10 - 2.1/12172=2, 3.2/10569=1 HG LEU 38 - HG2 LYS 39 poor 7 65 - 11 - 1671/3.9=1 QB ALA 22 - HG2 LYS 39 lone 7 98 - 7 - 2.1/1006=1 HG2 LYS 12 - HG3 LYS 68 poor 6 59 - 10 - 418/2.9=1 HG LEU 29 - HG3 LYS 68 lone 5 57 - 9 - ~8671=1, 10284/2.9=1, 787/4.0=1 HG2 LYS 13 - HG2 LYS 39 lone 5 90 - 6 - 4.8/1702=1 HG13 ILE 76 - HG3 LYS 68 lone 5 58 - 8 - HG13 ILE 52 - HG2 LYS 39 lone 4 73 - 5 - 2.1/10570=1 QB ALA 22 - HG3 LYS 68 lone 3 57 - 5 - 1007/4.0=1, 8582/2.9=1 HB2 LEU 27 - HG3 LYS 68 lone 3 37 - 7 - HB2 LEU 38 - HG3 LYS 68 lone 2 42 - 5 - 4.6/6606=1, ~12320=1 HG3 ARG 91 - HG2 LYS 39 lone 2 90 - 2 - HG2 LYS 20 - HG3 LYS 68 lone 2 37 - 4 - HD2 LYS 82 - HG3 LYS 68 lone 1 33 - 4 - HG LEU 38 - HG3 LYS 68 lone 1 33 - 4 - ~12320=1 HD2 LYS 53 - HG3 LYS 68 lone 1 33 - 3 - HG2 LYS 20 - HG2 LYS 39 lone 1 73 - 1 - HG12 ILE 7 - HG3 LYS 68 lone 1 35 - 2 - HD2 LYS 53 - HG2 LYS 39 lone 1 65 - 1 - HG2 LYS 13 - HG3 LYS 68 lone 1 49 - 1 - HG3 ARG 91 - HG3 LYS 68 lone 1 49 - 1 - HG13 ILE 52 - HG3 LYS 68 lone 0 37 - 1 - Peak 1708 from cnoeabs.peaks (1.65, 1.34, 25.61 ppm; 2.51 A): 5 out of 24 assignments used, quality = 0.99: * HD2 LYS 39 + HG2 LYS 39 OK 84 100 - 84 - 3.0=61, 1.8/1739=12...(27) HD3 LYS 39 + HG2 LYS 39 OK 70 84 - 84 - 3.0=61, 1740/1.8=9...(28) HG2 LYS 68 + HG3 LYS 68 OK 47 47 - 100 - 1.8=100 HD2 LYS 68 + HG3 LYS 68 OK 46 60 - 76 - 3.0=61, 3056/2.9=4...(15) HD3 LYS 68 + HG3 LYS 68 OK 45 60 - 76 - 3.0=61, 3056/2.9=4...(15) HD2 LYS 68 - HG2 LYS 39 OK 45 100 - 45 - 1719/1.8=4, 3.0/3026=4...(18) HD3 LYS 68 - HG2 LYS 39 OK 44 100 - 45 - 1719/1.8=4, 3.0/3026=4...(18) HG2 LYS 68 - HG2 LYS 39 OK 38 87 - 44 - 3026=6, 1719/1.8=3...(16) HD2 LYS 39 - HG3 LYS 68 OK 23 61 - 39 - 1.8/1739=6, 3.0/1717=4...(13) HB ILE 76 - HG2 LYS 39 OK 18 92 - 19 - 3.2/10569=3, 3422/1.8=2...(4) HD3 LYS 39 - HG3 LYS 68 OK 17 44 - 39 - 1739=6, 3.0/1717=4...(13) HB2 LYS 40 - HG2 LYS 39 OK 17 96 - 18 - 4.1/1712=2, 1719/1.8=2...(6) HB2 LYS 40 - HG3 LYS 68 poor 8 54 - 16 - 4.1/6622=1, ~1797=1...(6) HB3 LEU 6 - HG2 LYS 39 lone 5 98 - 5 - 3.1/10570=1 HB3 LEU 6 - HG3 LYS 68 lone 3 57 - 5 - HB ILE 52 - HG2 LYS 39 lone 3 73 - 4 - HB ILE 76 - HG3 LYS 68 lone 2 51 - 5 - HB3 ARG 79 - HG2 LYS 39 lone 1 100 - 1 - HD3 LYS 73 - HG2 LYS 39 lone 1 90 - 1 - HD2 LYS 73 - HG2 LYS 39 lone 1 84 - 1 - HB3 ARG 79 - HG3 LYS 68 lone 1 61 - 2 - HD3 LYS 73 - HG3 LYS 68 lone 0 49 - 1 - HD2 LYS 73 - HG3 LYS 68 lone 0 44 - 1 - HB ILE 52 - HG3 LYS 68 lone 0 37 - 1 - Peak 1709 from cnoeabs.peaks (1.64, 1.34, 25.61 ppm; 2.51 A): 4 out of 22 assignments used, quality = 0.99: * HD3 LYS 39 + HG2 LYS 39 OK 86 100 - 86 - 3.0=61, 1740/1.8=12...(29) HD2 LYS 39 + HG2 LYS 39 OK 70 84 - 83 - 3.0=61, 1.8/1739=12...(27) HG2 LYS 68 + HG3 LYS 68 OK 61 61 - 100 - 1.8=100 HG2 LYS 68 + HG2 LYS 39 OK 47 100 - 47 - 3026=8, 1720/1.8=4...(17) HD3 LYS 68 - HG2 LYS 39 OK 39 92 - 43 - 3.0/3026=4, 1720/1.8=4...(16) HD2 LYS 68 - HG2 LYS 39 OK 38 90 - 43 - 3.0/3026=4, 1720/1.8=4...(16) HD3 LYS 68 - HG3 LYS 68 OK 38 51 - 75 - 3.0=61, 1.8/3059=4...(15) HD2 LYS 68 - HG3 LYS 68 OK 37 49 - 75 - 3.0=61, 1.8/3059=4...(15) HD3 LYS 39 - HG3 LYS 68 OK 26 61 - 42 - 1739=9, 3.0/1717=4...(14) HB ILE 76 - HG2 LYS 39 OK 20 100 - 20 - 3.2/10569=3, 3422/1.8=3...(5) HB2 LYS 40 - HG2 LYS 39 OK 18 99 - 18 - 4.1/1712=2, 1720/1.8=2...(6) HD2 LYS 39 - HG3 LYS 68 OK 17 44 - 37 - 1.8/1739=6, 3.0/1717=4...(13) HB2 LYS 40 - HG3 LYS 68 poor 9 58 - 16 - 4.1/6622=1, ~1797=1...(6) HD2 LYS 94 - HG3 LYS 68 poor 8 35 - 22 - 1.8/4245=2, 4234=2...(5) HD2 LYS 94 - HG2 LYS 39 lone 7 70 - 10 - 1.8/4245=1 HB3 LEU 6 - HG2 LYS 39 lone 5 97 - 5 - 3.1/10570=1 HB ILE 76 - HG3 LYS 68 lone 3 60 - 5 - HB3 LEU 6 - HG3 LYS 68 lone 3 56 - 5 - HB3 ARG 79 - HG2 LYS 39 lone 1 84 - 1 - HB3 ARG 79 - HG3 LYS 68 lone 1 44 - 2 - HG3 LYS 47 - HG2 LYS 39 lone 1 61 - 1 - HG3 LYS 47 - HG3 LYS 68 lone 0 30 - 1 - Peak 1710 from cnoeabs.peaks (2.87, 1.34, 25.61 ppm; 3.61 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.5=100 HE3 LYS 39 + HG2 LYS 39 OK 98 98 - 100 - 3.5=100 HE2 LYS 39 - HG3 LYS 68 OK 35 61 - 58 - 3.0/1739=8, 3.5/1717=7...(29) HE3 LYS 39 - HG3 LYS 68 OK 32 57 - 57 - 3.0/1739=8, 3.5/1717=7...(29) HE3 LYS 82 - HG2 LYS 39 OK 18 73 - 24 - 1.8/3716=3, 3.0/3705=3...(10) HE3 LYS 82 - HG3 LYS 68 lone 3 37 - 7 - Peak 1711 from cnoeabs.peaks (2.88, 1.34, 25.61 ppm; 3.61 A): 2 out of 8 assignments used, quality = 1.00: * HE3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.5=100 HE2 LYS 39 + HG2 LYS 39 OK 98 98 - 100 - 3.5=100 HE3 LYS 39 - HG3 LYS 68 OK 35 61 - 57 - 3.0/1739=8, 3.5/1717=7...(29) HE2 LYS 39 - HG3 LYS 68 OK 32 57 - 57 - 3.0/1739=8, 3.5/1717=7...(29) HE2 LYS 66 - HG3 LYS 68 poor 8 33 - 24 - ~3030=2, ~3029=1...(6) HE2 LYS 66 - HG2 LYS 39 lone 6 65 - 10 - 1722/1.8=1 HB2 ASN 60 - HG2 LYS 39 lone 3 77 - 4 - 4.0/9416=1 HB2 ASN 60 - HG3 LYS 68 lone 1 40 - 2 - Peak 1712 from cnoeabs.peaks (7.63, 1.34, 25.61 ppm; 5.43 A): 3 out of 6 assignments used, quality = 0.96: * H LYS 40 + HG2 LYS 39 OK 89 100 - 90 - 1690/3.0=34, 6612/5.2=27...(19) H LYS 40 + HG3 LYS 68 OK 38 61 - 63 - 3.6/1703=13, 4.6/1684=9...(19) HE22 GLN 50 + HG2 LYS 39 OK 33 94 - 35 - 1723/1.8=9, 1690/3.0=8...(5) H GLU 48 - HG2 LYS 39 OK 16 70 - 23 - 1723/1.8=5, 1690/3.0=4...(7) HE22 GLN 50 - HG3 LYS 68 lone 4 52 - 8 - 1676/1703=1 H GLU 48 - HG3 LYS 68 lone 3 35 - 7 - Peak 1713 from cnoeabs.peaks (8.08, 1.44, 25.61 ppm; 4.00 A): 3 out of 5 assignments used, quality = 0.95: * H LYS 39 + HG3 LYS 39 OK 87 100 - 87 - 5.2=46, 1680/3.0=19...(19) H LYS 13 + HG3 LYS 39 OK 48 96 - 51 - 1680/3.0=7, 6167=7...(16) H ILE 15 + HG3 LYS 39 OK 29 94 - 31 - 1680/3.0=5, 1702/1.8=5...(10) H GLU 75 - HG3 LYS 39 OK 26 97 - 26 - 1680/3.0=4, 1735/3.0=4...(12) H GLU 17 - HG3 LYS 39 lone 4 57 - 6 - Peak 1714 from cnoeabs.peaks (3.61, 1.44, 25.61 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.9=100 Peak 1715 from cnoeabs.peaks (1.80, 1.44, 25.61 ppm; 3.73 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.0=100 HB2 LEU 42 + HG3 LYS 39 OK 55 94 - 59 - 1909/3.9=16, ~10570=6...(20) HB ILE 93 - HG3 LYS 39 OK 29 99 - 30 - 3.2/10327=5, 2.1/10326=5...(12) HG3 ARG 46 - HG3 LYS 39 OK 27 90 - 31 - 3.0/12073=4, 1704/1.8=3...(17) HB2 GLU 104 - HG3 LYS 39 OK 26 90 - 28 - 4524/3.0=3, 1704/1.8=3...(14) HB2 LYS 90 - HG3 LYS 39 OK 13 81 - 15 - 1704/1.8=1, 1737/3.0=1 HB VAL 78 - HG3 LYS 39 OK 12 65 - 18 - ~9690=2, 1737/3.0=2...(7) HB2 GLU 88 - HG3 LYS 39 lone 7 90 - 8 - Peak 1716 from cnoeabs.peaks (1.86, 1.44, 25.61 ppm; 3.06 A): 4 out of 7 assignments used, quality = 1.00: * HB3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.0=100 HB3 LYS 68 + HG3 LYS 39 OK 60 94 - 64 - 2.9/1717=6, 1738/3.0=5...(34) HB2 LYS 12 + HG3 LYS 39 OK 48 100 - 48 - 1683/3.0=4, 1738/3.0=4...(22) HB3 LYS 12 + HG3 LYS 39 OK 47 99 - 48 - 1683/3.0=4, 1738/3.0=4...(21) HB VAL 5 - HG3 LYS 39 OK 18 100 - 18 - 10193=3, 2.1/10192=1...(7) HB3 GLU 104 - HG3 LYS 39 OK 17 96 - 18 - 1.8/1715=2, 4530/3.0=2...(7) HB3 LYS 66 - HG3 LYS 39 lone 7 100 - 7 - Peak 1717 from cnoeabs.peaks (1.34, 1.44, 25.61 ppm; 2.59 A): 2 out of 12 assignments used, quality = 1.00: * HG2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 1.8=100 HG3 LYS 68 + HG3 LYS 39 OK 50 99 - 50 - 1707=5, 1.8/1720=4...(22) HG3 LYS 40 - HG3 LYS 39 OK 14 81 - 17 - 4.9/1723=3, 1739/3.0=2...(6) HG LEU 14 - HG3 LYS 39 OK 12 99 - 12 - ~10570=3, 1684/3.0=1 HB2 LYS 82 - HG3 LYS 39 OK 12 100 - 12 - 3657/3.5=2, 1739/3.0=1, ~3661=1 HB3 LEU 27 - HG3 LYS 39 OK 10 100 - 10 - HG2 LYS 94 - HG3 LYS 39 lone 10 98 - 10 - 4214/3.0=1 QB ALA 67 - HG3 LYS 39 lone 8 96 - 8 - 10784/3.0=1, 4.9/787=1 HB3 LEU 2 - HG3 LYS 39 lone 6 87 - 7 - QB ALA 89 - HG3 LYS 39 lone 3 98 - 3 - QB ALA 25 - HG3 LYS 39 lone 3 98 - 3 - HG12 ILE 8 - HG3 LYS 39 lone 2 65 - 4 - Peak 1718 from cnoeabs.peaks (1.44, 1.44, 25.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 Peak 1719 from cnoeabs.peaks (1.65, 1.44, 25.61 ppm; 2.54 A): 4 out of 12 assignments used, quality = 0.99: * HD2 LYS 39 + HG3 LYS 39 OK 86 100 - 86 - 3.0=63, 1.8/1740=12...(30) HD3 LYS 39 + HG3 LYS 39 OK 72 84 - 86 - 3.0=63, 1739/1.8=9...(33) HD2 LYS 68 + HG3 LYS 39 OK 47 100 - 48 - 1729=6, 3.0/1717=4...(18) HD3 LYS 68 + HG3 LYS 39 OK 47 100 - 48 - 1729=6, 3.0/1717=4...(18) HG2 LYS 68 - HG3 LYS 39 OK 37 87 - 43 - 1.8/1717=7, 3026/1.8=5...(14) HB ILE 76 - HG3 LYS 39 OK 21 92 - 23 - 2.1/3430=2, 3422=2...(6) HB2 LYS 40 - HG3 LYS 39 OK 17 96 - 18 - 4.1/1723=3, 1788/1.8=2...(6) HB3 LEU 6 - HG3 LYS 39 lone 4 98 - 4 - HB ILE 52 - HG3 LYS 39 lone 3 73 - 4 - HD3 LYS 73 - HG3 LYS 39 lone 1 90 - 1 - HD2 LYS 73 - HG3 LYS 39 lone 1 84 - 1 - HB3 ARG 79 - HG3 LYS 39 lone 1 100 - 1 - Peak 1720 from cnoeabs.peaks (1.64, 1.44, 25.61 ppm; 2.54 A): 2 out of 11 assignments used, quality = 0.97: * HD3 LYS 39 + HG3 LYS 39 OK 88 100 - 88 - 3.0=63, 1739/1.8=13...(33) HD2 LYS 39 + HG3 LYS 39 OK 71 84 - 85 - 3.0=63, 1.8/1740=12...(30) HG2 LYS 68 - HG3 LYS 39 OK 45 100 - 45 - 1.8/1717=7, 3026/1.8=6...(15) HD3 LYS 68 - HG3 LYS 39 OK 41 92 - 45 - 3.0/1717=4, 1729=4...(16) HD2 LYS 68 - HG3 LYS 39 OK 40 90 - 45 - 3.0/1717=4, 1729=4...(17) HB ILE 76 - HG3 LYS 39 OK 24 100 - 24 - 3422=3, 2.1/3430=2...(7) HB2 LYS 40 - HG3 LYS 39 OK 18 99 - 18 - 4.1/1723=3, 1788/1.8=2...(6) HD2 LYS 94 - HG3 LYS 39 lone 6 70 - 8 - HB3 LEU 6 - HG3 LYS 39 lone 4 97 - 4 - HB3 ARG 79 - HG3 LYS 39 lone 1 84 - 1 - HG3 LYS 47 - HG3 LYS 39 lone 0 61 - 1 - Peak 1721 from cnoeabs.peaks (2.87, 1.44, 25.61 ppm; 3.63 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.5=100 HE3 LYS 39 + HG3 LYS 39 OK 98 98 - 100 - 3.5=100 HE3 LYS 82 - HG3 LYS 39 OK 13 73 - 18 - 1710/1.8=2, ~3716=2...(6) Peak 1722 from cnoeabs.peaks (2.88, 1.44, 25.61 ppm; 3.63 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.5=100 HE2 LYS 39 + HG3 LYS 39 OK 98 98 - 100 - 3.5=100 HE2 LYS 66 - HG3 LYS 39 lone 6 65 - 9 - HB2 ASN 60 - HG3 LYS 39 lone 2 77 - 2 - Peak 1723 from cnoeabs.peaks (7.63, 1.44, 25.61 ppm; 5.49 A): 3 out of 3 assignments used, quality = 0.93: * H LYS 40 + HG3 LYS 39 OK 88 100 - 88 - 1690/3.0=35, 6612/5.2=27...(20) HE22 GLN 50 + HG3 LYS 39 OK 30 94 - 32 - 1690/3.0=8, 1712/1.8=8...(5) H GLU 48 + HG3 LYS 39 OK 16 70 - 22 - 1690/3.0=4, 4.0/10574=4...(7) Peak 1724 from cnoeabs.peaks (8.08, 1.65, 29.36 ppm; 4.20 A): 3 out of 15 assignments used, quality = 0.97: * H LYS 39 + HD2 LYS 39 OK 84 100 - 84 - 6.0=34, 1680/3.6=18...(16) H LYS 39 + HD2 LYS 68 OK 56 94 - 59 - 3.0/1725=8, 6608=7...(22) H LYS 39 + HD3 LYS 68 OK 54 92 - 59 - 3.0/1725=8, 6608=7...(21) H LYS 13 - HD2 LYS 39 OK 34 96 - 36 - 1713/3.0=8, 1680/3.6=7...(10) H ILE 15 - HD2 LYS 39 OK 24 94 - 26 - 1680/3.6=5, 1713/3.0=5...(8) H GLU 75 - HD2 LYS 39 OK 22 97 - 22 - 1713/3.0=4, 1680/3.6=4...(10) H LYS 13 - HD2 LYS 68 poor 10 87 - 11 - ~10790=2, 6166/3.5=1 H LYS 13 - HD3 LYS 68 poor 9 85 - 11 - ~10790=2, 6166/3.5=1 H ILE 15 - HD2 LYS 68 lone 7 85 - 8 - 6213/3.0=1 H ILE 15 - HD3 LYS 68 lone 7 83 - 8 - 6213/3.0=1 H GLU 75 - HD2 LYS 68 lone 5 89 - 6 - H GLU 75 - HD3 LYS 68 lone 5 86 - 6 - H GLU 17 - HD2 LYS 39 lone 2 57 - 4 - H GLU 17 - HD2 LYS 68 lone 1 49 - 2 - H GLU 17 - HD3 LYS 68 lone 1 48 - 2 - Peak 1725 from cnoeabs.peaks (3.61, 1.65, 29.36 ppm; 4.79 A): 3 out of 3 assignments used, quality = 1.00: * HA LYS 39 + HD2 LYS 39 OK 99 100 - 99 - 4.9=91, ~1737=17...(40) HA LYS 39 + HD2 LYS 68 OK 79 94 - 84 - 1703/3.0=12, 1669/3.5=7...(46) HA LYS 39 + HD3 LYS 68 OK 77 92 - 84 - 1703/3.0=12, 1669/3.5=7...(46) Peak 1726 from cnoeabs.peaks (1.80, 1.65, 29.36 ppm; 3.17 A): 3 out of 24 assignments used, quality = 0.99: * HB2 LYS 39 + HD2 LYS 39 OK 92 100 - 92 - 3.6=69, ~1736=9, ~1738=8...(39) HB2 LYS 39 + HD2 LYS 68 OK 63 94 - 67 - 1686=7, 1684/3.0=5...(44) HB2 LYS 39 + HD3 LYS 68 OK 62 92 - 67 - 1686=7, 1684/3.0=5...(45) HB2 LEU 42 - HD2 LYS 39 OK 28 94 - 30 - 1909/4.9=8, 1715/3.0=4...(9) HB2 LYS 90 - HD2 LYS 68 OK 22 71 - 30 - 1.8/3045=3, ~3023=3...(18) HB2 LYS 90 - HD3 LYS 68 OK 21 69 - 30 - 1.8/3045=3, ~3023=3...(18) HB ILE 93 - HD2 LYS 39 OK 14 99 - 14 - 1715/3.0=2, 1704/3.0=2...(6) HG3 ARG 46 - HD2 LYS 39 OK 12 90 - 14 - 1715/3.0=2, 1704/3.0=1, ~12073=1 HB VAL 78 - HD2 LYS 68 OK 12 57 - 21 - 2.1/10289=4, ~10289=2...(9) HB VAL 78 - HD3 LYS 68 OK 12 55 - 21 - 2.1/10289=4, ~10289=2...(9) HB2 GLU 104 - HD2 LYS 39 OK 11 90 - 12 - 1715/3.0=2, 4524/3.6=2...(4) HB VAL 78 - HD2 LYS 39 poor 9 65 - 13 - 2.1/10289=2, ~9690=2...(4) HB2 LEU 42 - HD2 LYS 68 lone 7 85 - 9 - 1909/1725=1, 1917/5.9=1 HB2 LEU 42 - HD3 LYS 68 lone 7 83 - 8 - 1917/5.9=1, 1909/1725=1 HB2 LYS 90 - HD2 LYS 39 lone 6 81 - 7 - HG3 ARG 46 - HD2 LYS 68 lone 6 80 - 7 - HG3 ARG 46 - HD3 LYS 68 lone 6 78 - 7 - HB ILE 93 - HD2 LYS 68 lone 5 91 - 5 - HB ILE 93 - HD3 LYS 68 lone 5 89 - 5 - HB2 GLU 104 - HD2 LYS 68 lone 4 80 - 5 - HB2 GLU 104 - HD3 LYS 68 lone 4 78 - 5 - HB2 GLU 88 - HD2 LYS 39 lone 4 90 - 4 - HB2 GLU 88 - HD2 LYS 68 lone 2 80 - 3 - HB2 GLU 88 - HD3 LYS 68 lone 2 78 - 3 - Peak 1727 from cnoeabs.peaks (1.86, 1.65, 29.36 ppm; 2.91 A): 6 out of 21 assignments used, quality = 1.00: * HB3 LYS 39 + HD2 LYS 39 OK 85 100 - 85 - 3.6=53, ~1737=9, ~1736=7...(33) HB3 LYS 68 + HD2 LYS 68 OK 70 85 - 83 - 3.5=57, 1.8/3004=6...(33) HB3 LYS 68 + HD3 LYS 68 OK 68 83 - 83 - 3.5=57, 1.8/3004=6...(33) HB3 LYS 39 + HD2 LYS 68 OK 53 94 - 56 - 1.8/1726=4, 3024/3.0=4...(29) HB3 LYS 39 + HD3 LYS 68 OK 51 92 - 56 - 1.8/1726=4, 3024/3.0=4...(28) HB3 LYS 68 + HD2 LYS 39 OK 46 94 - 49 - 1716/3.0=4, 1.8/3004=3...(22) HB2 LYS 12 - HD2 LYS 39 OK 33 100 - 33 - 1716/3.0=4, 1683/3.6=3...(15) HB3 LYS 12 - HD2 LYS 39 OK 33 99 - 33 - 1716/3.0=3, 1683/3.6=3...(15) HB2 LYS 12 - HD2 LYS 68 OK 19 94 - 20 - 3024/3.0=2, 3001/3.5=1...(5) HB3 LYS 12 - HD2 LYS 68 OK 18 92 - 20 - 3024/3.0=2, 3001/3.5=1 HB2 LYS 12 - HD3 LYS 68 OK 18 92 - 20 - 3024/3.0=2, 3001/3.5=1...(4) HB3 LYS 12 - HD3 LYS 68 OK 18 90 - 20 - 3024/3.0=2, 3001/3.5=1 HB3 LYS 66 - HD2 LYS 68 OK 16 94 - 18 - 2906/3.0=2, 2906/3.0=2...(4) HB3 LYS 66 - HD3 LYS 68 OK 16 92 - 17 - 2906/3.0=2, 2906/3.0=2...(4) HB VAL 5 - HD2 LYS 68 poor 10 94 - 10 - 10368/5.3=1 HB3 GLU 104 - HD2 LYS 39 poor 10 96 - 10 - 4530/3.6=2, 1716/3.0=1, ~1737=1 HB VAL 5 - HD3 LYS 68 poor 10 92 - 10 - 10368/5.3=1 HB VAL 5 - HD2 LYS 39 lone 8 100 - 8 - 10193/3.0=2 HB3 LYS 66 - HD2 LYS 39 lone 5 100 - 5 - HB3 GLU 104 - HD2 LYS 68 lone 4 87 - 4 - HB3 GLU 104 - HD3 LYS 68 lone 4 85 - 4 - Peak 1728 from cnoeabs.peaks (1.34, 1.65, 29.36 ppm; 2.66 A): 5 out of 36 assignments used, quality = 1.00: * HG2 LYS 39 + HD2 LYS 39 OK 90 100 - 90 - 3.0=73, 1.8/1719=9...(27) HG3 LYS 68 + HD2 LYS 68 OK 78 92 - 85 - 3.0=73, 3038/1.8=5...(16) HG3 LYS 68 + HD3 LYS 68 OK 76 90 - 85 - 3.0=73, 3038/1.8=5...(16) HG2 LYS 39 + HD2 LYS 68 OK 48 94 - 51 - 1.8/1719=5, 3026/3.0=4...(23) HG2 LYS 39 + HD3 LYS 68 OK 47 92 - 51 - 1.8/1719=5, 3026/3.0=4...(23) HG3 LYS 68 - HD2 LYS 39 OK 42 99 - 43 - 1717/3.0=5, 3038=3...(14) HG2 LYS 94 - HD2 LYS 68 OK 18 90 - 20 - 4214/3.0=2, 4217/3.0=1 HG2 LYS 94 - HD3 LYS 68 OK 17 88 - 19 - 4214/3.0=2, 4217/3.0=1 HG3 LYS 40 - HD2 LYS 39 OK 17 81 - 21 - 1.8/1808=2, 2.9/1797=2...(9) HG3 LYS 40 - HD2 LYS 68 OK 15 71 - 21 - 1.8/1808=2, 3026/3.0=2...(7) HG3 LYS 40 - HD3 LYS 68 OK 14 69 - 21 - 1.8/1808=2, 3026/3.0=2...(7) HB2 LYS 82 - HD2 LYS 39 OK 14 100 - 14 - 3657/3.0=3, ~3668=2...(5) QB ALA 67 - HD2 LYS 68 OK 12 87 - 14 - 2985/5.9=3, 10784/3.5=2...(5) QB ALA 67 - HD3 LYS 68 OK 12 85 - 14 - 2985/5.9=3, 10784/3.5=2...(5) HG2 LYS 94 - HD2 LYS 39 lone 10 98 - 10 - 4214/1.8=2 HG LEU 14 - HD2 LYS 39 lone 9 99 - 9 - ~10570=2, 1717/3.0=1 QB ALA 67 - HD2 LYS 39 lone 8 96 - 8 - 3.6/7111=1, 10784/3.6=1 HB3 LEU 27 - HD2 LYS 39 lone 7 100 - 7 - HG LEU 14 - HD2 LYS 68 lone 5 91 - 6 - HG LEU 14 - HD3 LYS 68 lone 5 89 - 6 - HB3 LEU 27 - HD2 LYS 68 lone 5 94 - 5 - HB3 LEU 27 - HD3 LYS 68 lone 5 92 - 5 - HB3 LEU 2 - HD2 LYS 39 lone 4 87 - 5 - HB2 LYS 82 - HD2 LYS 68 lone 3 94 - 4 - HB2 LYS 82 - HD3 LYS 68 lone 3 92 - 4 - QB ALA 89 - HD2 LYS 39 lone 2 98 - 2 - QB ALA 25 - HD2 LYS 39 lone 2 98 - 2 - QB ALA 89 - HD2 LYS 68 lone 2 90 - 2 - QB ALA 89 - HD3 LYS 68 lone 2 88 - 2 - HG12 ILE 8 - HD2 LYS 39 lone 2 65 - 2 - QB ALA 25 - HD2 LYS 68 lone 1 90 - 2 - QB ALA 25 - HD3 LYS 68 lone 1 88 - 2 - HB3 LEU 2 - HD2 LYS 68 lone 1 77 - 2 - HB3 LEU 2 - HD3 LYS 68 lone 1 75 - 2 - HG12 ILE 8 - HD2 LYS 68 lone 1 57 - 2 - HG12 ILE 8 - HD3 LYS 68 lone 1 55 - 2 - Peak 1729 from cnoeabs.peaks (1.44, 1.65, 29.36 ppm; 2.65 A): 3 out of 45 assignments used, quality = 0.97: * HG3 LYS 39 + HD2 LYS 39 OK 89 100 - 89 - 3.0=72, 1720/1.8=9...(31) HG3 LYS 39 + HD2 LYS 68 OK 50 94 - 53 - 1719=7, 1719/1.8=5...(24) HG3 LYS 39 + HD3 LYS 68 OK 49 92 - 53 - 1719=7, 1719/1.8=5...(23) HG13 ILE 76 - HD2 LYS 39 OK 29 99 - 30 - 3443/1.8=3, 1.8/3435=3...(16) HG2 LYS 12 - HD2 LYS 39 OK 19 99 - 19 - 1707/3.0=2, 417/3.6=2...(10) HG LEU 29 - HD2 LYS 39 OK 11 98 - 11 - ~10568=3, 1707/3.0=1 HG2 LYS 12 - HD2 LYS 68 poor 10 92 - 10 - HG2 LYS 12 - HD3 LYS 68 poor 9 90 - 10 - HG13 ILE 76 - HD2 LYS 68 poor 9 91 - 10 - HG13 ILE 76 - HD3 LYS 68 poor 9 89 - 10 - HB2 LEU 38 - HD2 LYS 39 poor 8 81 - 10 - 4.6/1724=2, 1685/3.6=1 HD2 LYS 82 - HD2 LYS 39 poor 8 65 - 12 - ~3712=2, ~3690=1, ~3679=1 HG LEU 29 - HD2 LYS 68 lone 7 90 - 8 - ~8671=1, 10284/3.5=1 HG LEU 29 - HD3 LYS 68 lone 7 88 - 8 - ~8671=1, 10284/3.5=1 HG2 LYS 20 - HD2 LYS 68 lone 6 64 - 9 - HG2 LYS 20 - HD3 LYS 68 lone 6 62 - 9 - HG LEU 38 - HD2 LYS 39 lone 5 65 - 8 - 2.1/10263=1 QB ALA 22 - HD2 LYS 39 lone 4 98 - 4 - HB2 LEU 27 - HD2 LYS 39 lone 4 73 - 6 - HB2 LEU 38 - HD2 LYS 68 lone 4 71 - 5 - 4.6/1724=1 HB2 LEU 38 - HD3 LYS 68 lone 4 69 - 5 - 4.6/1724=1 HG12 ILE 7 - HD2 LYS 39 lone 4 70 - 5 - HG2 LYS 13 - HD2 LYS 39 lone 3 90 - 4 - QB ALA 22 - HD2 LYS 68 lone 3 90 - 3 - QB ALA 22 - HD3 LYS 68 lone 3 88 - 3 - HB2 LEU 27 - HD2 LYS 68 lone 3 64 - 4 - HG LEU 38 - HD2 LYS 68 lone 3 57 - 5 - 2.1/10263=1, ~12320=1 HB2 LEU 27 - HD3 LYS 68 lone 3 62 - 4 - HG LEU 38 - HD3 LYS 68 lone 3 55 - 5 - ~12320=1, 2.1/10263=1 HG13 ILE 52 - HD2 LYS 39 lone 2 73 - 3 - HD2 LYS 53 - HD2 LYS 68 lone 2 57 - 3 - HD2 LYS 53 - HD3 LYS 68 lone 2 55 - 3 - HG3 ARG 91 - HD2 LYS 39 lone 2 90 - 2 - HG12 ILE 7 - HD2 LYS 68 lone 1 61 - 2 - HG12 ILE 7 - HD3 LYS 68 lone 1 58 - 2 - HD2 LYS 82 - HD2 LYS 68 lone 1 57 - 2 - HG2 LYS 13 - HD2 LYS 68 lone 1 80 - 1 - HD2 LYS 82 - HD3 LYS 68 lone 1 55 - 2 - HG2 LYS 13 - HD3 LYS 68 lone 1 78 - 1 - HG13 ILE 52 - HD2 LYS 68 lone 1 64 - 1 - HG13 ILE 52 - HD3 LYS 68 lone 1 62 - 1 - HG2 LYS 20 - HD2 LYS 39 lone 1 73 - 1 - HG3 ARG 91 - HD2 LYS 68 lone 1 80 - 1 - HG3 ARG 91 - HD3 LYS 68 lone 1 78 - 1 - HD2 LYS 53 - HD2 LYS 39 lone 0 65 - 1 - Peak 1730 from cnoeabs.peaks (1.65, 1.65, 29.36 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 HD2 LYS 68 + HD2 LYS 68 OK 94 94 - 100 HD3 LYS 68 + HD3 LYS 68 OK 91 91 - 100 Peak 1731 from cnoeabs.peaks (1.64, 1.65, 29.36 ppm; diagonal): 3 out of 3 assignments used, quality = 0.99: HD2 LYS 39 + HD2 LYS 39 OK 84 84 - 100 HD3 LYS 68 + HD3 LYS 68 OK 80 80 - 100 HD2 LYS 68 + HD2 LYS 68 OK 80 80 - 100 Reference assignment not found: HD3 LYS 39 - HD2 LYS 39 Peak 1732 from cnoeabs.peaks (2.87, 1.65, 29.36 ppm; 2.90 A): 2 out of 9 assignments used, quality = 1.00: * HE2 LYS 39 + HD2 LYS 39 OK 96 100 - 96 - 3.0=93, 1753/1.8=6...(21) HE3 LYS 39 + HD2 LYS 39 OK 95 98 - 96 - 3.0=93, 1.8/1752=6...(22) HE2 LYS 39 - HD2 LYS 68 OK 35 94 - 38 - 1752=3, 3.5/1719=3...(18) HE2 LYS 39 - HD3 LYS 68 OK 34 92 - 38 - 1752=3, 3.5/1719=3...(18) HE3 LYS 39 - HD2 LYS 68 OK 34 90 - 38 - 1763=3, 3.5/1719=3...(18) HE3 LYS 39 - HD3 LYS 68 OK 33 88 - 37 - 1763=3, 3.5/1719=3...(18) HE3 LYS 82 - HD2 LYS 39 poor 8 73 - 11 - ~3712=1, 1710/3.0=1, 1721/3.0=1 HE3 LYS 82 - HD2 LYS 68 lone 1 64 - 2 - HE3 LYS 82 - HD3 LYS 68 lone 1 62 - 2 - Peak 1733 from cnoeabs.peaks (2.88, 1.65, 29.36 ppm; 2.90 A): 2 out of 12 assignments used, quality = 1.00: * HE3 LYS 39 + HD2 LYS 39 OK 96 100 - 96 - 3.0=93, 1764/1.8=6...(22) HE2 LYS 39 + HD2 LYS 39 OK 95 98 - 96 - 3.0=93, 1.8/1763=6...(22) HE3 LYS 39 - HD2 LYS 68 OK 35 94 - 38 - 1763=3, 3.5/1719=3...(18) HE3 LYS 39 - HD3 LYS 68 OK 35 92 - 38 - 1763=3, 3.5/1719=3...(18) HE2 LYS 39 - HD2 LYS 68 OK 34 90 - 38 - 1752=3, 3.5/1719=3...(18) HE2 LYS 39 - HD3 LYS 68 OK 33 88 - 37 - 1752=3, 3.5/1719=3...(18) HE2 LYS 66 - HD2 LYS 68 poor 9 57 - 15 - HE2 LYS 66 - HD3 LYS 68 poor 8 55 - 15 - HE2 LYS 66 - HD2 LYS 39 lone 2 65 - 3 - HB2 ASN 60 - HD2 LYS 39 lone 1 77 - 1 - HB2 ASN 60 - HD2 LYS 68 lone 1 68 - 1 - HB2 ASN 60 - HD3 LYS 68 lone 1 65 - 1 - Peak 1735 from cnoeabs.peaks (8.08, 1.64, 29.36 ppm; 4.50 A): 2 out of 5 assignments used, quality = 0.94: * H LYS 39 + HD3 LYS 39 OK 90 100 - 90 - 6.0=42, 3.0/1736=28...(18) H LYS 13 + HD3 LYS 39 OK 42 96 - 44 - 1713/3.0=9, 1680/3.6=8...(10) H GLU 75 - HD3 LYS 39 OK 29 97 - 30 - 1713/3.0=5, 1680/3.6=4...(11) H ILE 15 - HD3 LYS 39 OK 27 94 - 28 - 1680/3.6=5, 1713/3.0=5...(8) H GLU 17 - HD3 LYS 39 lone 3 57 - 5 - Peak 1736 from cnoeabs.peaks (3.61, 1.64, 29.36 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 4.9=98, 3.0/1737=25...(42) Peak 1737 from cnoeabs.peaks (1.80, 1.64, 29.36 ppm; 3.13 A): 1 out of 8 assignments used, quality = 0.93: * HB2 LYS 39 + HD3 LYS 39 OK 93 100 - 93 - 3.6=66, 1.8/1738=14...(42) HB2 LEU 42 - HD3 LYS 39 OK 27 94 - 29 - 1909/4.9=8, 1715/3.0=4...(10) HB ILE 93 - HD3 LYS 39 OK 13 99 - 13 - 1715/3.0=2, 1704/3.0=2...(5) HG3 ARG 46 - HD3 LYS 39 OK 12 90 - 14 - 1715/3.0=2, 1704/3.0=1, ~12073=1 HB2 GLU 104 - HD3 LYS 39 OK 12 90 - 13 - 1715/3.0=2, 4524/3.6=2...(4) HB VAL 78 - HD3 LYS 39 poor 9 65 - 13 - 2.1/10289=2, 2.1/10291=2...(5) HB2 LYS 90 - HD3 LYS 39 lone 6 81 - 8 - HB2 GLU 88 - HD3 LYS 39 lone 4 90 - 4 - Peak 1738 from cnoeabs.peaks (1.86, 1.64, 29.36 ppm; 2.98 A): 2 out of 7 assignments used, quality = 0.95: * HB3 LYS 39 + HD3 LYS 39 OK 90 100 - 90 - 3.6=57, 1.8/1737=17...(36) HB3 LYS 68 + HD3 LYS 39 OK 51 94 - 54 - 2.9/1739=6, 1716/3.0=5...(27) HB2 LYS 12 - HD3 LYS 39 OK 36 100 - 36 - 1716/3.0=4, 1683/3.6=3...(14) HB3 LYS 12 - HD3 LYS 39 OK 36 99 - 36 - 1716/3.0=4, 1683/3.6=3...(14) HB3 GLU 104 - HD3 LYS 39 OK 11 96 - 11 - 1.8/1737=2, 4530/3.6=2 HB VAL 5 - HD3 LYS 39 lone 10 100 - 9 - 10193/3.0=2, 2.1/10197=1 HB3 LYS 66 - HD3 LYS 39 lone 5 100 - 5 - Peak 1739 from cnoeabs.peaks (1.34, 1.64, 29.36 ppm; 2.66 A): 2 out of 12 assignments used, quality = 0.95: * HG2 LYS 39 + HD3 LYS 39 OK 92 100 - 92 - 3.0=72, 1.8/1740=13...(28) HG3 LYS 68 + HD3 LYS 39 OK 45 99 - 46 - 1717/3.0=5, 2.9/1738=4...(16) HG3 LYS 40 - HD3 LYS 39 OK 17 81 - 22 - 1.8/1808=2, 2.9/1797=2...(9) HB2 LYS 82 - HD3 LYS 39 OK 14 100 - 14 - 3657/3.0=3, ~3668=2...(5) HG2 LYS 94 - HD3 LYS 39 lone 9 98 - 9 - HG LEU 14 - HD3 LYS 39 lone 9 99 - 9 - ~10570=2, 1717/3.0=1 QB ALA 67 - HD3 LYS 39 lone 8 96 - 9 - 3.6/7109=2, 10784/3.6=1 HB3 LEU 27 - HD3 LYS 39 lone 7 100 - 7 - HB3 LEU 2 - HD3 LYS 39 lone 4 87 - 5 - QB ALA 25 - HD3 LYS 39 lone 2 98 - 2 - QB ALA 89 - HD3 LYS 39 lone 2 98 - 2 - HG12 ILE 8 - HD3 LYS 39 lone 2 65 - 3 - Peak 1740 from cnoeabs.peaks (1.44, 1.64, 29.36 ppm; 2.76 A): 1 out of 15 assignments used, quality = 0.95: * HG3 LYS 39 + HD3 LYS 39 OK 95 100 - 95 - 3.0=81, 1.8/1739=15...(39) HG13 ILE 76 - HD3 LYS 39 OK 34 99 - 34 - 1.8/3435=4, 2.1/3451=4...(18) HG2 LYS 12 - HD3 LYS 39 OK 24 99 - 25 - 3.0/1738=3, 3.0/1738=3...(8) HG LEU 29 - HD3 LYS 39 OK 12 98 - 13 - ~10568=3, 3443=1, 1707/3.0=1 HB2 LEU 38 - HD3 LYS 39 OK 11 81 - 14 - 4.6/1735=3, 1685/3.6=1 HD2 LYS 82 - HD3 LYS 39 poor 9 65 - 14 - ~3712=2, ~3690=1...(4) HG LEU 38 - HD3 LYS 39 lone 6 65 - 9 - HB2 LEU 27 - HD3 LYS 39 lone 5 73 - 7 - 1.8/1739=1 QB ALA 22 - HD3 LYS 39 lone 5 98 - 5 - HG2 LYS 13 - HD3 LYS 39 lone 5 90 - 5 - 4.8/1735=2 HG12 ILE 7 - HD3 LYS 39 lone 4 70 - 6 - HG13 ILE 52 - HD3 LYS 39 lone 3 73 - 4 - HG3 ARG 91 - HD3 LYS 39 lone 2 90 - 2 - HG2 LYS 20 - HD3 LYS 39 lone 1 73 - 1 - HD2 LYS 53 - HD3 LYS 39 lone 0 65 - 1 - Peak 1741 from cnoeabs.peaks (1.65, 1.64, 29.36 ppm; diagonal): 1 out of 1 assignment used, quality = 0.84: HD3 LYS 39 + HD3 LYS 39 OK 84 84 - 100 Reference assignment not found: HD2 LYS 39 - HD3 LYS 39 Peak 1742 from cnoeabs.peaks (1.64, 1.64, 29.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 Peak 1743 from cnoeabs.peaks (2.87, 1.64, 29.36 ppm; 2.93 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 39 + HD3 LYS 39 OK 98 100 - 98 - 3.0=95, 3.5/1739=9...(23) HE3 LYS 39 + HD3 LYS 39 OK 96 98 - 98 - 3.0=95, 3.5/1739=9...(23) HE3 LYS 82 - HD3 LYS 39 poor 9 73 - 12 - ~3712=1, 1710/3.0=1...(5) Peak 1744 from cnoeabs.peaks (2.88, 1.64, 29.36 ppm; 2.93 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 39 + HD3 LYS 39 OK 98 100 - 98 - 3.0=95, 3.5/1739=9...(23) HE2 LYS 39 + HD3 LYS 39 OK 96 98 - 98 - 3.0=95, 3.5/1739=9...(23) HE2 LYS 66 - HD3 LYS 39 lone 3 65 - 4 - HB2 ASN 60 - HD3 LYS 39 lone 1 77 - 2 - Peak 1748 from cnoeabs.peaks (1.80, 2.87, 41.80 ppm; 3.85 A): 2 out of 16 assignments used, quality = 0.99: * HB2 LYS 39 + HE2 LYS 39 OK 93 100 - 93 - 4.9=48, 1737/3.0=19...(43) HB2 LYS 39 + HE3 LYS 39 OK 81 87 - 93 - 4.9=48, 1737/3.0=19...(44) HB2 LEU 42 - HE2 LYS 39 OK 27 94 - 29 - 1909/6.3=9, 1737/3.0=5...(8) HB2 LEU 42 - HE3 LYS 39 OK 23 77 - 29 - 1909/6.3=9, 1737/3.0=5...(8) HB2 GLU 104 - HE2 LYS 39 OK 13 90 - 15 - 1715/3.5=3, 1737/3.0=2...(5) HB ILE 93 - HE2 LYS 39 OK 12 99 - 12 - 1715/3.5=3, 1737/3.0=3...(4) HG3 ARG 46 - HE2 LYS 39 OK 12 90 - 13 - 1715/3.5=3, 1737/3.0=2...(5) HB2 GLU 104 - HE3 LYS 39 OK 11 72 - 15 - 1715/3.5=3, 1737/3.0=2...(4) HB ILE 93 - HE3 LYS 39 OK 10 84 - 12 - 1715/3.5=3, 1737/3.0=3...(4) HG3 ARG 46 - HE3 LYS 39 poor 10 72 - 13 - 1715/3.5=3, 1737/3.0=2...(5) HB VAL 78 - HE2 LYS 39 poor 8 65 - 12 - ~9690=2, 1737/3.0=2...(6) HB2 LYS 90 - HE2 LYS 39 lone 7 81 - 8 - 1737/3.0=1, 1715/3.5=1 HB VAL 78 - HE3 LYS 39 poor 6 50 - 12 - ~9690=2, 1737/3.0=2...(6) HB2 LYS 90 - HE3 LYS 39 lone 5 64 - 8 - 1737/3.0=1, 1715/3.5=1 HB2 GLU 88 - HE2 LYS 39 lone 4 90 - 4 - HB2 GLU 88 - HE3 LYS 39 lone 3 72 - 4 - Peak 1749 from cnoeabs.peaks (1.86, 2.87, 41.80 ppm; 3.75 A): 4 out of 14 assignments used, quality = 1.00: * HB3 LYS 39 + HE2 LYS 39 OK 92 100 - 92 - 4.9=44, 3.6/1743=15...(37) HB3 LYS 39 + HE3 LYS 39 OK 80 87 - 92 - 4.9=44, 3.6/1744=14...(37) HB3 LYS 68 + HE2 LYS 39 OK 58 94 - 62 - 1738/3.0=7, 1716/3.5=6...(34) HB3 LYS 68 + HE3 LYS 39 OK 47 77 - 61 - 1738/3.0=7, 1716/3.5=6...(34) HB2 LYS 12 - HE2 LYS 39 OK 43 100 - 43 - 1738/3.0=5, 1716/3.5=5...(18) HB3 LYS 12 - HE2 LYS 39 OK 42 99 - 42 - 1738/3.0=5, 1716/3.5=5...(18) HB2 LYS 12 - HE3 LYS 39 OK 37 86 - 43 - 1738/3.0=5, 1716/3.5=5...(19) HB3 LYS 12 - HE3 LYS 39 OK 36 85 - 42 - 1738/3.0=5, 1716/3.5=5...(19) HB3 GLU 104 - HE2 LYS 39 OK 12 96 - 13 - 1716/3.5=2, 1738/3.0=2...(6) HB3 GLU 104 - HE3 LYS 39 OK 10 79 - 13 - 1716/3.5=2, 1738/3.0=2...(7) HB VAL 5 - HE2 LYS 39 lone 9 100 - 9 - 10193/3.5=3, 1738/3.0=1 HB VAL 5 - HE3 LYS 39 lone 8 87 - 9 - 10193/3.5=3, 1738/3.0=1 HB3 LYS 66 - HE2 LYS 39 lone 7 100 - 7 - HB3 LYS 66 - HE3 LYS 39 lone 5 87 - 5 - Peak 1750 from cnoeabs.peaks (1.34, 2.87, 41.80 ppm; 3.37 A): 3 out of 24 assignments used, quality = 1.00: * HG2 LYS 39 + HE2 LYS 39 OK 98 100 - 98 - 3.5=86, 3.0/1743=15...(39) HG2 LYS 39 + HE3 LYS 39 OK 85 87 - 98 - 3.5=86, 3.0/1744=14...(39) HG3 LYS 68 + HE2 LYS 39 OK 52 99 - 52 - 1739/3.0=7, 1717/3.5=6...(25) HG3 LYS 68 - HE3 LYS 39 OK 44 85 - 52 - 1739/3.0=7, 1717/3.5=6...(25) HB2 LYS 82 - HE2 LYS 39 OK 27 100 - 27 - 4.0/9754=7, 1.8/3668=4...(9) HB2 LYS 82 - HE3 LYS 39 OK 22 86 - 25 - 3657/1.8=6, ~3668=5...(7) HG3 LYS 40 - HE2 LYS 39 OK 12 81 - 15 - 1739/3.0=3, 1819/3.0=2...(5) HG3 LYS 40 - HE3 LYS 39 poor 9 64 - 14 - 1739/3.0=3, 1819/3.0=2...(5) HG2 LYS 94 - HE2 LYS 39 lone 9 98 - 9 - 4214/3.0=2, 1717/3.5=1 HB3 LEU 27 - HE2 LYS 39 lone 8 100 - 8 - 1717/3.5=1, 1739/3.0=1 HG LEU 14 - HE2 LYS 39 lone 8 99 - 8 - 1717/3.5=1, 1739/3.0=1 QB ALA 67 - HE2 LYS 39 lone 7 96 - 8 - 10784/4.9=1, 1739/3.0=1 HG2 LYS 94 - HE3 LYS 39 lone 7 83 - 8 - 4214/3.0=2, 1717/3.5=1 HG LEU 14 - HE3 LYS 39 lone 6 84 - 7 - 1717/3.5=1, 1739/3.0=1 HB3 LEU 27 - HE3 LYS 39 lone 6 87 - 7 - 1717/3.5=1, 1739/3.0=1 QB ALA 67 - HE3 LYS 39 lone 6 79 - 7 - 10784/4.9=1, 1739/3.0=1 HB3 LEU 2 - HE2 LYS 39 lone 5 87 - 5 - HB3 LEU 2 - HE3 LYS 39 lone 4 70 - 5 - QB ALA 25 - HE2 LYS 39 lone 3 98 - 3 - QB ALA 89 - HE2 LYS 39 lone 2 98 - 2 - QB ALA 25 - HE3 LYS 39 lone 2 83 - 2 - QB ALA 89 - HE3 LYS 39 lone 2 83 - 2 - HG12 ILE 8 - HE2 LYS 39 lone 1 65 - 2 - HG12 ILE 8 - HE3 LYS 39 lone 1 50 - 2 - Peak 1751 from cnoeabs.peaks (1.44, 2.87, 41.80 ppm; 3.30 A): 2 out of 30 assignments used, quality = 0.99: * HG3 LYS 39 + HE2 LYS 39 OK 97 100 - 97 - 3.5=81, 3.0/1743=14...(42) HG3 LYS 39 + HE3 LYS 39 OK 84 87 - 96 - 3.5=81, 3.0/1744=14...(42) HG13 ILE 76 - HE2 LYS 39 OK 24 99 - 25 - 1740/3.0=5, 2.1/8958=3...(9) HG2 LYS 12 - HE2 LYS 39 OK 24 99 - 24 - 1740/3.0=3, 1707/3.5=2...(12) HG13 ILE 76 - HE3 LYS 39 OK 21 84 - 25 - 1740/3.0=5, 2.1/8958=3...(9) HG2 LYS 12 - HE3 LYS 39 OK 20 85 - 24 - 1740/3.0=3, 1707/3.5=2...(12) HD2 LYS 82 - HE2 LYS 39 OK 14 65 - 22 - 5.8/9754=4, 1.8/3712=3...(8) HD2 LYS 82 - HE3 LYS 39 poor 10 50 - 19 - ~3712=4, ~3679=3...(8) HB2 LEU 38 - HE2 LYS 39 poor 9 81 - 11 - 1740/3.0=2, 1633/7.2=1...(5) HB2 LEU 38 - HE3 LYS 39 poor 7 64 - 11 - 4.6/1757=2, 1740/3.0=2...(5) HG LEU 29 - HE2 LYS 39 lone 7 98 - 7 - 1740/3.0=2, 1707/3.5=1 HG LEU 29 - HE3 LYS 39 lone 6 83 - 7 - 1740/3.0=2, 1707/3.5=1 HG LEU 38 - HE2 LYS 39 lone 5 65 - 8 - HB2 LEU 27 - HE2 LYS 39 lone 5 73 - 6 - HG LEU 38 - HE3 LYS 39 lone 4 50 - 8 - QB ALA 22 - HE2 LYS 39 lone 4 98 - 4 - HG2 LYS 13 - HE2 LYS 39 lone 4 90 - 4 - QB ALA 22 - HE3 LYS 39 lone 3 83 - 4 - HB2 LEU 27 - HE3 LYS 39 lone 3 57 - 6 - HG2 LYS 13 - HE3 LYS 39 lone 3 72 - 4 - HG12 ILE 7 - HE2 LYS 39 lone 3 70 - 4 - HG13 ILE 52 - HE2 LYS 39 lone 2 73 - 3 - HG12 ILE 7 - HE3 LYS 39 lone 2 54 - 4 - HG3 ARG 91 - HE2 LYS 39 lone 2 90 - 2 - HG13 ILE 52 - HE3 LYS 39 lone 2 57 - 3 - HG3 ARG 91 - HE3 LYS 39 lone 1 72 - 2 - HG2 LYS 20 - HE2 LYS 39 lone 1 73 - 1 - HD2 LYS 53 - HE2 LYS 39 lone 1 65 - 1 - HG2 LYS 20 - HE3 LYS 39 lone 1 57 - 1 - HD2 LYS 53 - HE3 LYS 39 lone 0 50 - 1 - Peak 1752 from cnoeabs.peaks (1.65, 2.87, 41.80 ppm; 2.85 A): 4 out of 24 assignments used, quality = 1.00: * HD2 LYS 39 + HE2 LYS 39 OK 95 100 - 95 - 3.0=87, 1.8/1743=15...(21) HD2 LYS 39 + HE3 LYS 39 OK 83 87 - 95 - 3.0=87, 1.8/1744=15...(21) HD3 LYS 39 + HE2 LYS 39 OK 80 84 - 95 - 3.0=87, 1744/1.8=11...(22) HD3 LYS 39 + HE3 LYS 39 OK 63 67 - 95 - 3.0=87, 1744/1.8=11...(22) HD2 LYS 68 - HE2 LYS 39 OK 37 100 - 38 - 1732=5, 1.8/1732=3...(16) HD3 LYS 68 - HE2 LYS 39 OK 37 100 - 38 - 1732=5, 1.8/1732=3...(16) HG2 LYS 68 - HE2 LYS 39 OK 33 87 - 38 - 3026/3.5=3, 1.8/1750=3...(17) HD2 LYS 68 - HE3 LYS 39 OK 32 86 - 37 - 1732=5, 1732/1.8=3...(16) HD3 LYS 68 - HE3 LYS 39 OK 32 86 - 37 - 1732=5, 1732/1.8=3...(16) HG2 LYS 68 - HE3 LYS 39 OK 26 70 - 37 - 3026/3.5=3, 1.8/1711=3...(17) HB ILE 76 - HE2 LYS 39 OK 13 92 - 14 - 3422/3.5=2, 3.2/8958=2...(5) HB ILE 76 - HE3 LYS 39 OK 10 75 - 14 - 3.2/8958=2, 3422/3.5=2...(5) HB2 LYS 40 - HE2 LYS 39 poor 10 96 - 10 - 1788/3.5=1 HB2 LYS 40 - HE3 LYS 39 lone 8 79 - 10 - 1788/3.5=1 HB3 LEU 6 - HE2 LYS 39 lone 3 98 - 3 - HB3 LEU 6 - HE3 LYS 39 lone 3 83 - 3 - HB ILE 52 - HE2 LYS 39 lone 1 73 - 2 - HB3 ARG 79 - HE2 LYS 39 lone 1 100 - 1 - HB ILE 52 - HE3 LYS 39 lone 1 57 - 2 - HB3 ARG 79 - HE3 LYS 39 lone 1 87 - 1 - HD3 LYS 73 - HE2 LYS 39 lone 1 90 - 1 - HD2 LYS 73 - HE2 LYS 39 lone 1 84 - 1 - HD3 LYS 73 - HE3 LYS 39 lone 1 72 - 1 - HD2 LYS 73 - HE3 LYS 39 lone 1 67 - 1 - Peak 1753 from cnoeabs.peaks (1.64, 2.87, 41.80 ppm; 2.85 A): 4 out of 22 assignments used, quality = 1.00: * HD3 LYS 39 + HE2 LYS 39 OK 96 100 - 95 - 3.0=87, 1744/1.8=16...(23) HD3 LYS 39 + HE3 LYS 39 OK 83 87 - 95 - 3.0=87, 1744/1.8=15...(23) HD2 LYS 39 + HE2 LYS 39 OK 80 84 - 95 - 3.0=87, 1.8/1743=15...(21) HD2 LYS 39 + HE3 LYS 39 OK 63 67 - 95 - 3.0=87, 1.8/1744=15...(21) HG2 LYS 68 - HE2 LYS 39 OK 39 100 - 40 - 3026/3.5=4, 1.8/1750=3...(17) HG2 LYS 68 - HE3 LYS 39 OK 34 87 - 39 - 3026/3.5=4, 1.8/1711=3...(17) HD3 LYS 68 - HE2 LYS 39 OK 32 92 - 35 - 1732=3, 1.8/1732=3...(15) HD2 LYS 68 - HE2 LYS 39 OK 31 90 - 35 - 1732=4, 1.8/1732=3...(15) HD3 LYS 68 - HE3 LYS 39 OK 26 75 - 35 - 1732=3, 1.8/1732=3...(15) HD2 LYS 68 - HE3 LYS 39 OK 25 72 - 35 - 1732=3, 1.8/1732=3...(15) HB ILE 76 - HE2 LYS 39 OK 14 100 - 14 - 3422/3.5=2, 3.2/8958=2...(5) HB ILE 76 - HE3 LYS 39 OK 12 86 - 14 - 3422/3.5=2, 3.2/8958=2...(5) HB2 LYS 40 - HE2 LYS 39 OK 10 99 - 10 - 1788/3.5=2, 1720/3.5=1 HB2 LYS 40 - HE3 LYS 39 poor 8 84 - 10 - 1788/3.5=2, 1720/3.5=1 HD2 LYS 94 - HE2 LYS 39 lone 4 70 - 5 - HB3 LEU 6 - HE2 LYS 39 lone 3 97 - 3 - HD2 LYS 94 - HE3 LYS 39 lone 3 54 - 5 - HB3 LEU 6 - HE3 LYS 39 lone 2 81 - 3 - HB3 ARG 79 - HE2 LYS 39 lone 1 84 - 1 - HB3 ARG 79 - HE3 LYS 39 lone 1 67 - 1 - HG3 LYS 47 - HE2 LYS 39 lone 0 61 - 1 - HG3 LYS 47 - HE3 LYS 39 lone 0 47 - 1 - Peak 1754 from cnoeabs.peaks (2.87, 2.87, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE3 LYS 39 + HE3 LYS 39 OK 83 83 - 100 Peak 1755 from cnoeabs.peaks (2.88, 2.87, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 39 + HE2 LYS 39 OK 98 98 - 100 HE3 LYS 39 + HE3 LYS 39 OK 87 87 - 100 Reference assignment not found: HE3 LYS 39 - HE2 LYS 39 Peak 1757 from cnoeabs.peaks (8.08, 2.88, 41.80 ppm; 5.45 A): 2 out of 10 assignments used, quality = 0.98: * H LYS 39 + HE3 LYS 39 OK 90 100 - 90 - 7.2=43, ~1736=23...(15) H LYS 39 + HE2 LYS 39 OK 78 87 - 90 - 7.2=43, ~1736=23...(14) H LYS 13 - HE3 LYS 39 OK 45 96 - 47 - 1713/3.5=11, 1735/3.0=9...(9) H LYS 13 - HE2 LYS 39 OK 37 79 - 46 - 1713/3.5=11, 1735/3.0=9...(9) H ILE 15 - HE3 LYS 39 OK 31 94 - 33 - 1713/3.5=6, 1702/3.5=6...(8) H GLU 75 - HE3 LYS 39 OK 27 97 - 28 - 1735/3.0=7, 1713/3.5=6...(8) H ILE 15 - HE2 LYS 39 OK 25 77 - 33 - 1713/3.5=6, 1702/3.5=6...(7) H GLU 75 - HE2 LYS 39 OK 22 81 - 27 - 1735/3.0=7, 1713/3.5=6...(8) H GLU 17 - HE3 LYS 39 lone 4 57 - 6 - H GLU 17 - HE2 LYS 39 lone 3 44 - 6 - Peak 1759 from cnoeabs.peaks (1.80, 2.88, 41.80 ppm; 3.85 A): 2 out of 16 assignments used, quality = 0.99: * HB2 LYS 39 + HE3 LYS 39 OK 94 100 - 94 - 4.9=48, 1737/3.0=19...(44) HB2 LYS 39 + HE2 LYS 39 OK 81 87 - 93 - 4.9=48, 1737/3.0=19...(44) HB2 LEU 42 - HE3 LYS 39 OK 28 94 - 30 - 1909/6.3=9, 1737/3.0=5...(8) HB2 LEU 42 - HE2 LYS 39 OK 23 77 - 30 - 1909/6.3=9, 1737/3.0=5...(8) HB2 GLU 104 - HE3 LYS 39 OK 13 90 - 15 - 1715/3.5=3, 1737/3.0=2...(4) HG3 ARG 46 - HE3 LYS 39 OK 12 90 - 14 - 1715/3.5=3, 1737/3.0=2...(6) HB ILE 93 - HE3 LYS 39 OK 12 99 - 12 - 1715/3.5=3, 1737/3.0=3...(4) HB2 GLU 104 - HE2 LYS 39 OK 11 72 - 15 - 1715/3.5=3, 1737/3.0=2...(4) HB ILE 93 - HE2 LYS 39 OK 10 84 - 12 - 1715/3.5=3, 1737/3.0=3...(4) HG3 ARG 46 - HE2 LYS 39 poor 10 72 - 14 - 1715/3.5=3, 1737/3.0=2...(5) HB VAL 78 - HE3 LYS 39 poor 8 65 - 12 - ~9690=2, 1737/3.0=2...(6) HB2 LYS 90 - HE3 LYS 39 lone 7 81 - 8 - 1737/3.0=1, 1715/3.5=1 HB VAL 78 - HE2 LYS 39 poor 6 50 - 12 - ~9690=2, 1737/3.0=2...(6) HB2 LYS 90 - HE2 LYS 39 lone 5 64 - 8 - 1737/3.0=1, 1715/3.5=1 HB2 GLU 88 - HE3 LYS 39 lone 4 90 - 5 - HB2 GLU 88 - HE2 LYS 39 lone 3 72 - 4 - Peak 1760 from cnoeabs.peaks (1.86, 2.88, 41.80 ppm; 3.75 A): 4 out of 14 assignments used, quality = 1.00: * HB3 LYS 39 + HE3 LYS 39 OK 92 100 - 92 - 4.9=44, 3.6/1744=15...(37) HB3 LYS 39 + HE2 LYS 39 OK 80 87 - 92 - 4.9=44, 3.6/1744=15...(37) HB3 LYS 68 + HE3 LYS 39 OK 58 94 - 62 - 1738/3.0=7, 1716/3.5=6...(34) HB3 LYS 68 + HE2 LYS 39 OK 47 77 - 61 - 1738/3.0=7, 1716/3.5=6...(34) HB2 LYS 12 - HE3 LYS 39 OK 43 100 - 43 - 1738/3.0=5, 1716/3.5=5...(19) HB3 LYS 12 - HE3 LYS 39 OK 42 99 - 43 - 1738/3.0=5, 1716/3.5=5...(19) HB2 LYS 12 - HE2 LYS 39 OK 37 86 - 43 - 1738/3.0=5, 1716/3.5=5...(19) HB3 LYS 12 - HE2 LYS 39 OK 36 85 - 42 - 1738/3.0=5, 1716/3.5=5...(19) HB3 GLU 104 - HE3 LYS 39 OK 12 96 - 13 - 1716/3.5=2, 1738/3.0=2...(7) HB3 GLU 104 - HE2 LYS 39 OK 10 79 - 13 - 1716/3.5=2, 1738/3.0=2...(6) HB VAL 5 - HE3 LYS 39 lone 9 100 - 9 - 10193/3.5=3, 1738/3.0=1 HB VAL 5 - HE2 LYS 39 lone 8 87 - 9 - 10193/3.5=3, 1738/3.0=1 HB3 LYS 66 - HE3 LYS 39 lone 7 100 - 7 - HB3 LYS 66 - HE2 LYS 39 lone 6 87 - 7 - Peak 1761 from cnoeabs.peaks (1.34, 2.88, 41.80 ppm; 3.37 A): 3 out of 24 assignments used, quality = 1.00: * HG2 LYS 39 + HE3 LYS 39 OK 98 100 - 98 - 3.5=86, 3.0/1744=15...(39) HG2 LYS 39 + HE2 LYS 39 OK 85 87 - 98 - 3.5=86, 3.0/1744=15...(39) HG3 LYS 68 + HE3 LYS 39 OK 52 99 - 52 - 1739/3.0=7, 1717/3.5=6...(25) HG3 LYS 68 - HE2 LYS 39 OK 44 85 - 52 - 1739/3.0=7, 1717/3.5=6...(25) HB2 LYS 82 - HE3 LYS 39 OK 26 100 - 26 - 3657/1.8=6, ~3668=5...(7) HB2 LYS 82 - HE2 LYS 39 OK 18 86 - 21 - 4.0/9754=7, 1739/3.0=2...(8) HG3 LYS 40 - HE3 LYS 39 OK 11 81 - 14 - 1739/3.0=3, 1819/3.0=2...(5) HG3 LYS 40 - HE2 LYS 39 poor 9 64 - 14 - 1739/3.0=3, 1819/3.0=2...(5) HG2 LYS 94 - HE3 LYS 39 lone 9 98 - 9 - 4214/3.0=2, 1717/3.5=1 HG LEU 14 - HE3 LYS 39 lone 8 99 - 8 - 1717/3.5=1, 1739/3.0=1 QB ALA 67 - HE3 LYS 39 lone 7 96 - 8 - 10784/4.9=1, 1739/3.0=1 HG2 LYS 94 - HE2 LYS 39 lone 7 83 - 9 - 4214/3.0=2, 1717/3.5=1 HB3 LEU 27 - HE3 LYS 39 lone 7 100 - 7 - 1717/3.5=1, 1739/3.0=1 HG LEU 14 - HE2 LYS 39 lone 7 84 - 8 - 1717/3.5=1, 1739/3.0=1 HB3 LEU 27 - HE2 LYS 39 lone 6 87 - 7 - 1717/3.5=1, 1739/3.0=1 QB ALA 67 - HE2 LYS 39 lone 6 79 - 8 - 10784/4.9=1, 1739/3.0=1 HB3 LEU 2 - HE3 LYS 39 lone 5 87 - 6 - HB3 LEU 2 - HE2 LYS 39 lone 4 70 - 5 - QB ALA 25 - HE3 LYS 39 lone 2 98 - 2 - QB ALA 89 - HE3 LYS 39 lone 2 98 - 2 - QB ALA 25 - HE2 LYS 39 lone 2 83 - 3 - QB ALA 89 - HE2 LYS 39 lone 2 83 - 2 - HG12 ILE 8 - HE3 LYS 39 lone 1 65 - 2 - HG12 ILE 8 - HE2 LYS 39 lone 1 50 - 2 - Peak 1762 from cnoeabs.peaks (1.44, 2.88, 41.80 ppm; 3.30 A): 2 out of 30 assignments used, quality = 0.99: * HG3 LYS 39 + HE3 LYS 39 OK 97 100 - 97 - 3.5=81, 3.0/1744=14...(43) HG3 LYS 39 + HE2 LYS 39 OK 84 87 - 96 - 3.5=81, 3.0/1744=14...(42) HG13 ILE 76 - HE3 LYS 39 OK 26 99 - 26 - 2.1/8958=5, 1740/3.0=5...(10) HG2 LYS 12 - HE3 LYS 39 OK 24 99 - 24 - 1740/3.0=3, 1707/3.5=2...(12) HG13 ILE 76 - HE2 LYS 39 OK 22 84 - 26 - 1740/3.0=5, 2.1/8958=4...(9) HG2 LYS 12 - HE2 LYS 39 OK 20 85 - 24 - 1740/3.0=3, 1707/3.5=2...(12) HD2 LYS 82 - HE3 LYS 39 OK 13 65 - 19 - ~3712=4, ~3679=3...(8) HB2 LEU 38 - HE3 LYS 39 poor 10 81 - 12 - 4.6/1757=2, 1740/3.0=2...(5) HD2 LYS 82 - HE2 LYS 39 poor 8 50 - 15 - 5.8/9754=4, 1.8/3712=2...(7) HB2 LEU 38 - HE2 LYS 39 poor 7 64 - 12 - 4.6/1757=2, 1740/3.0=2...(5) HG LEU 29 - HE3 LYS 39 lone 7 98 - 7 - 1740/3.0=2, 1707/3.5=1 HG LEU 29 - HE2 LYS 39 lone 6 83 - 7 - 1740/3.0=2, 1707/3.5=1 HG LEU 38 - HE3 LYS 39 lone 6 65 - 9 - HB2 LEU 27 - HE3 LYS 39 lone 4 73 - 6 - HG2 LYS 13 - HE3 LYS 39 lone 4 90 - 5 - 4.8/1757=1 HG LEU 38 - HE2 LYS 39 lone 4 50 - 8 - QB ALA 22 - HE3 LYS 39 lone 4 98 - 4 - QB ALA 22 - HE2 LYS 39 lone 3 83 - 4 - HB2 LEU 27 - HE2 LYS 39 lone 3 57 - 6 - HG2 LYS 13 - HE2 LYS 39 lone 3 72 - 4 - HG12 ILE 7 - HE3 LYS 39 lone 3 70 - 5 - HG12 ILE 7 - HE2 LYS 39 lone 2 54 - 4 - HG13 ILE 52 - HE3 LYS 39 lone 2 73 - 3 - HG3 ARG 91 - HE3 LYS 39 lone 2 90 - 2 - HG13 ILE 52 - HE2 LYS 39 lone 2 57 - 3 - HG3 ARG 91 - HE2 LYS 39 lone 1 72 - 2 - HG2 LYS 20 - HE3 LYS 39 lone 1 73 - 1 - HG2 LYS 20 - HE2 LYS 39 lone 1 57 - 1 - HD2 LYS 53 - HE3 LYS 39 lone 1 65 - 1 - HD2 LYS 53 - HE2 LYS 39 lone 0 50 - 1 - Peak 1763 from cnoeabs.peaks (1.65, 2.88, 41.80 ppm; 2.85 A): 4 out of 24 assignments used, quality = 1.00: * HD2 LYS 39 + HE3 LYS 39 OK 95 100 - 95 - 3.0=87, 1.8/1744=16...(22) HD2 LYS 39 + HE2 LYS 39 OK 83 87 - 95 - 3.0=87, 1.8/1744=15...(21) HD3 LYS 39 + HE3 LYS 39 OK 80 84 - 95 - 3.0=87, 1744/1.8=11...(23) HD3 LYS 39 + HE2 LYS 39 OK 63 67 - 95 - 3.0=87, 1744/1.8=11...(22) HD2 LYS 68 - HE3 LYS 39 OK 38 100 - 38 - 1733=5, 1732/1.8=3...(16) HD3 LYS 68 - HE3 LYS 39 OK 37 100 - 38 - 1733=5, 1732/1.8=3...(16) HG2 LYS 68 - HE3 LYS 39 OK 33 87 - 38 - 1.8/1761=3, 3026/3.5=3...(17) HD2 LYS 68 - HE2 LYS 39 OK 32 86 - 37 - 1732=5, 1733/1.8=3...(16) HD3 LYS 68 - HE2 LYS 39 OK 32 86 - 37 - 1732=5, 1.8/1732=3...(16) HG2 LYS 68 - HE2 LYS 39 OK 26 70 - 37 - 3026/3.5=3, 1.8/1761=3...(17) HB ILE 76 - HE3 LYS 39 OK 13 92 - 15 - 3.2/8958=3, 3422/3.5=2...(5) HB ILE 76 - HE2 LYS 39 OK 11 75 - 14 - 3.2/8958=2, 3422/3.5=2...(5) HB2 LYS 40 - HE3 LYS 39 poor 10 96 - 10 - 1788/3.5=1 HB2 LYS 40 - HE2 LYS 39 lone 8 79 - 10 - 1788/3.5=1 HB3 LEU 6 - HE3 LYS 39 lone 3 98 - 3 - HB3 LEU 6 - HE2 LYS 39 lone 3 83 - 3 - HB ILE 52 - HE3 LYS 39 lone 1 73 - 2 - HB3 ARG 79 - HE3 LYS 39 lone 1 100 - 1 - HD3 LYS 73 - HE3 LYS 39 lone 1 90 - 1 - HB ILE 52 - HE2 LYS 39 lone 1 57 - 2 - HB3 ARG 79 - HE2 LYS 39 lone 1 87 - 1 - HD2 LYS 73 - HE3 LYS 39 lone 1 84 - 1 - HD3 LYS 73 - HE2 LYS 39 lone 1 72 - 1 - HD2 LYS 73 - HE2 LYS 39 lone 1 67 - 1 - Peak 1764 from cnoeabs.peaks (1.64, 2.88, 41.80 ppm; 2.85 A): 4 out of 22 assignments used, quality = 1.00: * HD3 LYS 39 + HE3 LYS 39 OK 95 100 - 95 - 3.0=87, 1744/1.8=15...(23) HD3 LYS 39 + HE2 LYS 39 OK 83 87 - 95 - 3.0=87, 1744/1.8=16...(23) HD2 LYS 39 + HE3 LYS 39 OK 80 84 - 95 - 3.0=87, 1.8/1744=16...(22) HD2 LYS 39 + HE2 LYS 39 OK 63 67 - 95 - 3.0=87, 1.8/1744=15...(21) HG2 LYS 68 - HE3 LYS 39 OK 39 100 - 40 - 3026/3.5=4, 1.8/1761=3...(17) HG2 LYS 68 - HE2 LYS 39 OK 34 87 - 39 - 3026/3.5=4, 1.8/1761=3...(17) HD3 LYS 68 - HE3 LYS 39 OK 32 92 - 35 - 1733=3, 1.8/1733=3...(15) HD2 LYS 68 - HE3 LYS 39 OK 31 90 - 35 - 1733=3, 1.8/1733=3...(15) HD3 LYS 68 - HE2 LYS 39 OK 26 75 - 35 - 1732=3, 1.8/1732=3...(15) HD2 LYS 68 - HE2 LYS 39 OK 25 72 - 35 - 1732=3, 1.8/1732=3...(15) HB ILE 76 - HE3 LYS 39 OK 15 100 - 15 - 3.2/8958=3, 3422/3.5=2...(5) HB ILE 76 - HE2 LYS 39 OK 13 86 - 15 - 3.2/8958=2, 3422/3.5=2...(5) HB2 LYS 40 - HE3 LYS 39 OK 10 99 - 10 - 1788/3.5=2, 1720/3.5=1 HB2 LYS 40 - HE2 LYS 39 lone 8 84 - 10 - 1788/3.5=2, 1720/3.5=1 HD2 LYS 94 - HE3 LYS 39 lone 4 70 - 5 - HB3 LEU 6 - HE3 LYS 39 lone 3 97 - 3 - HD2 LYS 94 - HE2 LYS 39 lone 3 54 - 5 - HB3 LEU 6 - HE2 LYS 39 lone 3 81 - 3 - HB3 ARG 79 - HE3 LYS 39 lone 1 84 - 1 - HB3 ARG 79 - HE2 LYS 39 lone 1 67 - 1 - HG3 LYS 47 - HE3 LYS 39 lone 0 61 - 1 - HG3 LYS 47 - HE2 LYS 39 lone 0 47 - 1 - Peak 1765 from cnoeabs.peaks (2.87, 2.88, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 39 + HE3 LYS 39 OK 98 98 - 100 HE2 LYS 39 + HE2 LYS 39 OK 87 87 - 100 Reference assignment not found: HE2 LYS 39 - HE3 LYS 39 Peak 1766 from cnoeabs.peaks (2.88, 2.88, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 83 83 - 100 Peak 1768 from cnoeabs.peaks (7.63, 3.86, 58.99 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 40 + HA LYS 40 OK 100 100 - 100 - 2.9=100 HE22 GLN 50 - HA LYS 40 OK 22 94 - 23 - 1783/3.0=5, 1795/3.0=5...(5) H GLU 48 - HA LYS 40 OK 14 70 - 20 - 1795/3.0=2, 1783/3.0=2...(10) Peak 1769 from cnoeabs.peaks (3.86, 3.86, 58.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 40 + HA LYS 40 OK 100 100 - 100 Peak 1770 from cnoeabs.peaks (1.65, 3.86, 58.99 ppm; 3.09 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LYS 40 + HA LYS 40 OK 100 100 - 100 - 3.0=100 HD3 LYS 39 - HA LYS 40 OK 40 99 - 40 - 6625/2.9=5, ~1723=4...(19) HD2 LYS 39 - HA LYS 40 OK 38 96 - 40 - 6624/2.9=4, ~1723=4...(19) HG2 LYS 68 - HA LYS 40 OK 33 99 - 33 - 1.8/1773=4, 4.6/1779=3...(13) HD3 LYS 68 - HA LYS 40 OK 28 99 - 29 - 3.0/1773=3, 6624/2.9=2...(14) HD2 LYS 68 - HA LYS 40 OK 28 98 - 29 - 3.0/1773=3, 6624/2.9=2...(14) HB ILE 76 - HA LYS 40 OK 13 100 - 13 - 3.2/9668=2, 3.0/10875=2...(5) HB3 LEU 6 - HA LYS 40 lone 7 100 - 7 - 6646/3.6=1 HD3 LYS 73 - HA LYS 40 lone 2 61 - 4 - HB3 ARG 79 - HA LYS 40 lone 2 96 - 2 - Peak 1771 from cnoeabs.peaks (1.68, 3.86, 58.99 ppm; 3.01 A): 1 out of 23 assignments used, quality = 1.00: * HB3 LYS 40 + HA LYS 40 OK 100 100 - 100 - 3.0=100 HG LEU 70 - HA LYS 40 OK 20 77 - 26 - 2.1/9541=3, 2.1/9540=3...(10) HB3 LYS 53 - HA LYS 40 OK 16 100 - 16 - 1786/3.0=2, 1809/3.8=2...(6) HG3 LYS 20 - HA LYS 40 OK 15 94 - 16 - 3.0/1780=2, 1786/3.0=2...(6) HD2 LYS 20 - HA LYS 40 OK 12 98 - 13 - 3.5/1780=1, 1786/3.0=1 HB ILE 52 - HA LYS 40 OK 12 84 - 14 - 2.1/9165=2, 6647/3.6=1 HD3 LYS 20 - HA LYS 40 OK 12 94 - 12 - 3.5/1780=1, 1786/3.0=1 HG12 ILE 15 - HA LYS 40 OK 11 92 - 12 - 2.1/8446=2, 2.9/644=1...(4) HB3 ARG 91 - HA LYS 40 lone 9 100 - 9 - HD2 LYS 12 - HA LYS 40 poor 8 70 - 12 - 3.0/416=2, 6630/2.9=1 HD3 LYS 12 - HA LYS 40 poor 8 70 - 12 - 3.0/416=2, 6630/2.9=1 HD3 LYS 47 - HA LYS 40 lone 8 100 - 8 - 6647/3.6=1 HD2 LYS 47 - HA LYS 40 lone 8 100 - 8 - 6647/3.6=1 HD2 LYS 13 - HA LYS 40 lone 4 70 - 5 - HG2 PRO 86 - HA LYS 40 lone 3 94 - 3 - HD3 LYS 13 - HA LYS 40 lone 3 61 - 5 - HD2 LYS 73 - HA LYS 40 lone 3 73 - 4 - HB2 LEU 2 - HA LYS 40 lone 3 65 - 4 - HD3 LYS 90 - HA LYS 40 lone 2 84 - 3 - HD3 LYS 73 - HA LYS 40 lone 2 65 - 3 - HD2 LYS 24 - HA LYS 40 lone 2 87 - 2 - HD3 LYS 24 - HA LYS 40 lone 2 84 - 2 - HD3 LYS 66 - HA LYS 40 lone 1 65 - 2 - Peak 1772 from cnoeabs.peaks (1.16, 3.86, 58.99 ppm; 4.03 A): 1 out of 5 assignments used, quality = 1.00: * HG2 LYS 40 + HA LYS 40 OK 100 100 - 100 - 3.8=100 HB3 LEU 3 - HA LYS 40 OK 41 96 - 44 - 1799/3.0=8, 1787/3.0=8...(15) HB2 LEU 29 - HA LYS 40 OK 31 100 - 31 - 1787/3.0=6, 1799/3.0=6...(9) QG2 THR 34 - HA LYS 40 poor 8 70 - 11 - 6648/3.6=1, 8767/1779=1...(4) QG2 THR 31 - HA LYS 40 lone 6 70 - 8 - 6648/3.6=1 Peak 1773 from cnoeabs.peaks (1.36, 3.86, 58.99 ppm; 3.61 A): 2 out of 9 assignments used, quality = 0.98: * HG3 LYS 40 + HA LYS 40 OK 96 100 - 96 - 3.8=87, 1817/2.9=16...(21) HG2 LYS 39 + HA LYS 40 OK 48 81 - 60 - ~1690=8, ~1723=7...(22) HG3 LYS 68 - HA LYS 40 OK 38 92 - 41 - 1.8/1770=5, 4.6/1779=4...(15) HB2 LEU 70 - HA LYS 40 OK 36 92 - 39 - 3.1/9541=4, 3132=4...(14) HG12 ILE 8 - HA LYS 40 OK 19 99 - 19 - 2.9/1780=3, 2.1/8306=3...(9) HB3 LEU 27 - HA LYS 40 OK 15 77 - 19 - 1788/3.0=2, 1800/3.0=2...(5) HG LEU 14 - HA LYS 40 OK 14 94 - 14 - 3.0/1780=2, 6649/3.6=2...(6) HB2 LYS 82 - HA LYS 40 poor 8 73 - 11 - 1788/3.0=2, 1800/3.0=2...(4) HB3 ARG 30 - HA LYS 40 lone 8 87 - 9 - 6649/3.6=1 Peak 1774 from cnoeabs.peaks (1.46, 3.86, 58.99 ppm; 3.26 A): 4 out of 14 assignments used, quality = 0.97: * HD2 LYS 40 + HA LYS 40 OK 68 100 - 68 - 5.2=24, 3.0/1818=10...(21) HD3 LYS 40 + HA LYS 40 OK 68 100 - 68 - 5.2=24, 3.0/1818=10...(21) HB2 LEU 38 + HA LYS 40 OK 49 94 - 52 - 1.8/1781=16, 1627=5...(22) HG LEU 38 + HA LYS 40 OK 45 99 - 46 - 3.0/1781=11, 2.1/1659=5...(18) HG3 LYS 53 - HA LYS 40 OK 17 99 - 17 - 3.0/1771=2, 1802/3.0=1...(5) HG2 LYS 53 - HA LYS 40 OK 17 100 - 17 - 3.0/1771=2, 1802/3.0=1...(5) HG2 LYS 20 - HA LYS 40 OK 15 97 - 16 - 1.8/1771=2, 3.0/1780=2...(4) HB2 LEU 27 - HA LYS 40 OK 14 97 - 14 - 10482/3.8=2, 1.8/1773=2...(7) HG13 ILE 52 - HA LYS 40 OK 14 97 - 14 - 3.2/9165=2, 3.0/1771=1 HD2 LYS 53 - HA LYS 40 OK 14 99 - 14 - 2440/3.0=2, 3.6/1771=1 HD2 LYS 82 - HA LYS 40 lone 9 99 - 10 - 1813/3.8=1, 1824/3.8=1...(4) HG2 LYS 12 - HA LYS 40 poor 9 61 - 15 - ~6621=2, 1.8/427=1...(5) HG3 ARG 91 - HA LYS 40 lone 7 87 - 8 - HG LEU 64 - HA LYS 40 lone 2 73 - 3 - Peak 1775 from cnoeabs.peaks (1.47, 3.86, 58.99 ppm; 3.26 A): 4 out of 13 assignments used, quality = 0.97: HD2 LYS 40 + HA LYS 40 OK 68 100 - 68 - 5.2=24, 3.0/1818=10...(21) * HD3 LYS 40 + HA LYS 40 OK 68 100 - 68 - 5.2=24, 3.0/1818=10...(21) HB2 LEU 38 + HA LYS 40 OK 48 92 - 52 - 1.8/1781=16, 1627=5...(22) HG LEU 38 + HA LYS 40 OK 45 98 - 46 - 3.0/1781=11, 2.1/1659=5...(18) HG3 LYS 53 - HA LYS 40 OK 17 100 - 17 - 3.0/1771=2, 1802/3.0=1...(5) HG2 LYS 53 - HA LYS 40 OK 17 100 - 17 - 3.0/1771=2, 1802/3.0=1...(5) HG2 LYS 20 - HA LYS 40 OK 15 96 - 16 - 1.8/1771=2, 3.0/1780=2...(4) HB2 LEU 27 - HA LYS 40 OK 14 96 - 14 - 10482/3.8=2, 1.8/1773=2...(7) HG13 ILE 52 - HA LYS 40 OK 14 96 - 14 - 3.2/9165=2, 3.0/1771=1 HD2 LYS 53 - HA LYS 40 OK 13 98 - 14 - 2440/3.0=2, 3.6/1771=1 HD2 LYS 82 - HA LYS 40 lone 9 98 - 10 - 1813/3.8=1, 1824/3.8=1...(4) HG3 ARG 91 - HA LYS 40 lone 6 84 - 8 - HG LEU 64 - HA LYS 40 lone 2 77 - 3 - Peak 1778 from cnoeabs.peaks (7.82, 3.86, 58.99 ppm; 4.27 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 41 + HA LYS 40 OK 100 100 - 100 - 3.6=100 H SER 9 - HA LYS 40 OK 35 87 - 40 - 1805/3.0=6, 1793/3.0=6...(12) H ASN 26 - HA LYS 40 OK 16 70 - 22 - 1805/3.0=3, 1793/3.0=3...(7) H LYS 73 - HA LYS 40 OK 15 65 - 22 - 4.7/10858=3, 1793/3.0=3...(7) Peak 1779 from cnoeabs.peaks (8.19, 3.86, 58.99 ppm; 3.38 A): 3 out of 4 assignments used, quality = 0.76: * H GLU 43 + HA LYS 40 OK 54 100 - 54 - 6683/3.6=12, 6682=11...(12) H ASP 36 + HA LYS 40 OK 30 96 - 31 - ~10540=8, ~8863=7...(7) H LYS 68 + HA LYS 40 OK 27 97 - 27 - 7104=5, 6660/3.6=4...(9) H PHE 96 - HA LYS 40 lone 3 61 - 6 - 3.6/11014=1, 4.5/7529=1 Peak 1780 from cnoeabs.peaks (1.91, 3.86, 58.99 ppm; 3.08 A): 4 out of 12 assignments used, quality = 0.60: * HB2 GLU 43 + HA LYS 40 OK 35 100 - 35 - 1.8/1781=13, 1961=9...(6) HG LEU 42 + HA LYS 40 OK 23 92 - 25 - 4.3/10552=4, 2.1/10597=4...(8) HB2 LYS 94 + HA LYS 40 OK 11 73 - 16 - 1.8/4198=3, 2.9/4220=2...(7) HB ILE 8 + HA LYS 40 OK 11 90 - 12 - 4.4/1778=2, 8882/3.6=2...(4) HB3 LEU 14 - HA LYS 40 lone 9 99 - 9 - 4.4/6206=1, 8882/3.6=1 HB2 LYS 20 - HA LYS 40 poor 8 70 - 11 - 3.0/1771=1, 3.0/1775=1 HB3 LYS 13 - HA LYS 40 lone 5 96 - 6 - 3.0/8392=1, 4.0/6164=1 HB2 LYS 13 - HA LYS 40 lone 5 92 - 6 - 3.0/8392=1, 4.0/6164=1 HB3 LYS 47 - HA LYS 40 lone 5 65 - 8 - 4.7/1768=1 HB2 ARG 19 - HA LYS 40 lone 1 81 - 2 - HB3 LYS 33 - HA LYS 40 lone 1 94 - 1 - HB2 LYS 33 - HA LYS 40 lone 1 90 - 1 - Peak 1781 from cnoeabs.peaks (2.06, 3.86, 58.99 ppm; 2.94 A): 2 out of 10 assignments used, quality = 0.54: HB3 LEU 38 + HA LYS 40 OK 34 96 - 36 - 1.8/1775=4, 1635=4...(19) * HB3 GLU 43 + HA LYS 40 OK 30 100 - 30 - 1.8/1780=10, 1969=9...(4) HB2 MET 74 - HA LYS 40 lone 6 100 - 6 - 4.2/9610=2, 4.0/10858=1 HB3 GLU 35 - HA LYS 40 lone 5 73 - 7 - 4.7/1779=3 HB3 GLU 48 - HA LYS 40 lone 4 70 - 6 - 4.0/1768=1, 3.0/10619=1 HB2 GLU 16 - HA LYS 40 lone 2 90 - 2 - HB3 GLU 88 - HA LYS 40 lone 1 84 - 2 - HB2 MET 21 - HA LYS 40 lone 1 81 - 2 - HG3 GLU 28 - HA LYS 40 lone 1 100 - 1 - HG2 GLU 28 - HA LYS 40 lone 1 100 - 1 - Peak 1782 from cnoeabs.peaks (3.71, 1.65, 31.76 ppm; 3.69 A): 3 out of 3 assignments used, quality = 0.92: * HA GLU 37 + HB2 LYS 40 OK 74 100 - 74 - 1585=26, 1586/1.8=17...(15) HA LEU 42 + HB2 LYS 40 OK 46 99 - 47 - 1794/1.8=11, 10552/3.0=7...(13) HA3 GLY 100 + HB2 LYS 40 OK 44 97 - 45 - 1794/1.8=10, 10552/3.0=6...(13) Peak 1783 from cnoeabs.peaks (7.63, 1.65, 31.76 ppm; 3.24 A): 2 out of 3 assignments used, quality = 0.87: * H LYS 40 + HB2 LYS 40 OK 83 100 - 83 - 4.1=51, 1795/1.8=25...(16) HE22 GLN 50 + HB2 LYS 40 OK 21 94 - 22 - 1795/1.8=6, 1768/3.0=4...(7) H GLU 48 - HB2 LYS 40 poor 9 70 - 13 - 1795/1.8=3, 1768/3.0=3...(6) Peak 1784 from cnoeabs.peaks (3.86, 1.65, 31.76 ppm; 3.37 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 40 + HB2 LYS 40 OK 100 100 - 100 - 3.0=100 HA LEU 38 + HB2 LYS 40 OK 46 94 - 49 - 1623/4.3=8, 1796/1.8=6...(21) HA2 GLY 100 - HB2 LYS 40 OK 39 100 - 39 - 1.8/1782=8, ~1794=6...(14) HA GLU 43 - HB2 LYS 40 OK 18 65 - 28 - ~1779=4, ~1781=3...(11) HB3 SER 49 - HB2 LYS 40 OK 13 96 - 13 - 1796/1.8=2, 9080/4.1=1...(5) HA LYS 94 - HB2 LYS 40 OK 11 100 - 11 - 1796/1.8=2, 1818/2.9=1 HA LYS 12 - HB2 LYS 40 OK 11 92 - 12 - 6628/4.1=2, 1796/1.8=1 HA ALA 67 - HB2 LYS 40 lone 9 90 - 10 - 3.6/7109=1, 2979/2.9=1 HA2 GLY 101 - HB2 LYS 40 lone 7 100 - 7 - 1796/1.8=1 HA ALA 71 - HB2 LYS 40 lone 5 61 - 8 - 2.1/10834=2 Peak 1785 from cnoeabs.peaks (1.65, 1.65, 31.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 40 + HB2 LYS 40 OK 100 100 - 100 Peak 1786 from cnoeabs.peaks (1.68, 1.65, 31.76 ppm; 2.40 A): 1 out of 23 assignments used, quality = 1.00: * HB3 LYS 40 + HB2 LYS 40 OK 100 100 - 100 - 1.8=100 HB3 LYS 53 - HB2 LYS 40 OK 12 100 - 12 - 1809/2.9=1, 1820/2.9=1 HG3 LYS 20 - HB2 LYS 40 OK 10 94 - 11 - HG LEU 70 - HB2 LYS 40 poor 10 77 - 12 - 3.0/1788=1, 1771/3.0=1 HD2 LYS 20 - HB2 LYS 40 lone 8 98 - 8 - HD3 LYS 20 - HB2 LYS 40 lone 7 94 - 8 - HB ILE 52 - HB2 LYS 40 lone 6 84 - 7 - HB3 ARG 91 - HB2 LYS 40 lone 5 100 - 5 - HG12 ILE 15 - HB2 LYS 40 lone 4 92 - 5 - HD3 LYS 12 - HB2 LYS 40 lone 3 70 - 5 - HD2 LYS 12 - HB2 LYS 40 lone 3 70 - 5 - HD3 LYS 47 - HB2 LYS 40 lone 3 100 - 3 - HD2 LYS 47 - HB2 LYS 40 lone 3 100 - 3 - HG2 PRO 86 - HB2 LYS 40 lone 2 94 - 2 - HD2 LYS 73 - HB2 LYS 40 lone 1 73 - 2 - HD3 LYS 73 - HB2 LYS 40 lone 1 65 - 2 - HB2 LEU 2 - HB2 LYS 40 lone 1 65 - 2 - HD3 LYS 90 - HB2 LYS 40 lone 1 84 - 1 - HD2 LYS 13 - HB2 LYS 40 lone 1 70 - 1 - HD2 LYS 24 - HB2 LYS 40 lone 1 87 - 1 - HD3 LYS 24 - HB2 LYS 40 lone 1 84 - 1 - HD3 LYS 13 - HB2 LYS 40 lone 1 61 - 1 - HD3 LYS 66 - HB2 LYS 40 lone 0 65 - 1 - Peak 1787 from cnoeabs.peaks (1.16, 1.65, 31.76 ppm; 3.73 A): 1 out of 5 assignments used, quality = 1.00: * HG2 LYS 40 + HB2 LYS 40 OK 100 100 - 100 - 2.9=100 HB3 LEU 3 - HB2 LYS 40 OK 45 96 - 47 - 1799/1.8=9, 1821/2.9=6...(19) HB2 LEU 29 - HB2 LYS 40 OK 34 100 - 34 - 1799/1.8=7, 1821/2.9=5...(15) QG2 THR 34 - HB2 LYS 40 lone 6 70 - 8 - 1799/1.8=1, 1772/3.0=1 QG2 THR 31 - HB2 LYS 40 lone 4 70 - 6 - Peak 1788 from cnoeabs.peaks (1.36, 1.65, 31.76 ppm; 3.75 A): 1 out of 9 assignments used, quality = 1.00: * HG3 LYS 40 + HB2 LYS 40 OK 100 100 - 100 - 2.9=100 HG3 LYS 68 - HB2 LYS 40 OK 35 92 - 38 - 1800/1.8=5, 1773/3.0=4...(15) HG2 LYS 39 - HB2 LYS 40 OK 34 81 - 43 - 1773/3.0=5, 6632/4.1=5...(19) HB2 LEU 70 - HB2 LYS 40 OK 33 92 - 36 - 1800/1.8=4, 1773/3.0=4...(17) HB3 LEU 27 - HB2 LYS 40 OK 26 77 - 34 - 1800/1.8=3, 1811/2.9=3...(16) HG12 ILE 8 - HB2 LYS 40 OK 18 99 - 18 - 1800/1.8=2, 312/4.3=2...(8) HB2 LYS 82 - HB2 LYS 40 OK 18 73 - 25 - 1800/1.8=2, 1811/2.9=2...(15) HG LEU 14 - HB2 LYS 40 OK 12 94 - 12 - 1800/1.8=2, 6649/4.3=2...(4) HB3 ARG 30 - HB2 LYS 40 poor 9 87 - 10 - 1800/1.8=1, 6649/4.3=1 Peak 1789 from cnoeabs.peaks (1.46, 1.65, 31.76 ppm; 3.85 A): 4 out of 14 assignments used, quality = 1.00: * HD2 LYS 40 + HB2 LYS 40 OK 100 100 - 100 - 3.5=100 HD3 LYS 40 + HB2 LYS 40 OK 100 100 - 100 - 3.5=100 HB2 LEU 38 + HB2 LYS 40 OK 57 94 - 61 - ~1781=9, 3.0/1784=6...(28) HG LEU 38 + HB2 LYS 40 OK 53 99 - 54 - 2.1/12071=7, ~1781=5...(22) HG3 LYS 53 - HB2 LYS 40 OK 34 99 - 35 - 3.0/1786=3, 1802/1.8=3...(18) HG2 LYS 53 - HB2 LYS 40 OK 33 100 - 33 - 3.0/1786=3, 1802/1.8=3...(19) HD2 LYS 82 - HB2 LYS 40 OK 31 99 - 32 - 1813/2.9=2, 1824/2.9=2...(20) HB2 LEU 27 - HB2 LYS 40 OK 31 97 - 32 - 10482/2.9=4, 1.8/1788=4...(11) HD2 LYS 53 - HB2 LYS 40 OK 25 99 - 25 - 2440/1.8=3, 3.6/1786=2...(9) HG2 LYS 20 - HB2 LYS 40 OK 24 97 - 24 - 1.8/1786=3, 2.8/1786=2...(10) HG13 ILE 52 - HB2 LYS 40 OK 18 97 - 19 - ~2376=2, 6651/4.3=1...(7) HG3 ARG 91 - HB2 LYS 40 OK 11 87 - 13 - 2.8/1786=1 HG2 LYS 12 - HB2 LYS 40 poor 9 61 - 14 - 416/3.0=1, ~427=1...(4) HG LEU 64 - HB2 LYS 40 lone 6 73 - 7 - 2.1/10243=1, 2.1/10242=1 Peak 1790 from cnoeabs.peaks (1.47, 1.65, 31.76 ppm; 3.85 A): 4 out of 13 assignments used, quality = 1.00: * HD3 LYS 40 + HB2 LYS 40 OK 100 100 - 100 - 3.5=100 HD2 LYS 40 + HB2 LYS 40 OK 100 100 - 100 - 3.5=100 HB2 LEU 38 + HB2 LYS 40 OK 55 92 - 60 - ~1781=9, 3.0/1784=6...(28) HG LEU 38 + HB2 LYS 40 OK 52 98 - 54 - 2.1/12071=7, ~1781=5...(22) HG3 LYS 53 - HB2 LYS 40 OK 35 100 - 35 - 3.0/1786=3, 1802/1.8=3...(18) HG2 LYS 53 - HB2 LYS 40 OK 33 100 - 33 - 3.0/1786=3, 1802/1.8=3...(19) HD2 LYS 82 - HB2 LYS 40 OK 31 98 - 32 - 1813/2.9=2, 1824/2.9=2...(20) HB2 LEU 27 - HB2 LYS 40 OK 30 96 - 32 - 10482/2.9=4, 1.8/1788=4...(11) HD2 LYS 53 - HB2 LYS 40 OK 25 98 - 25 - 2440/1.8=3, 3.6/1786=2...(9) HG2 LYS 20 - HB2 LYS 40 OK 23 96 - 24 - 1.8/1786=3, 2.8/1786=2...(10) HG13 ILE 52 - HB2 LYS 40 OK 18 96 - 19 - ~2376=2, 6651/4.3=1...(7) HG3 ARG 91 - HB2 LYS 40 OK 11 84 - 13 - 2.8/1786=1 HG LEU 64 - HB2 LYS 40 lone 6 77 - 7 - 2.1/10243=1, 2.1/10242=1 Peak 1791 from cnoeabs.peaks (2.77, 1.65, 31.76 ppm; 5.79 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 40 + HB2 LYS 40 OK 100 100 - 100 - 4.8=100 HE3 LYS 40 + HB2 LYS 40 OK 100 100 - 100 - 4.8=100 HB3 ASN 10 - HB2 LYS 40 lone 3 77 - 4 - Peak 1792 from cnoeabs.peaks (2.77, 1.65, 31.76 ppm; 5.79 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 40 + HB2 LYS 40 OK 100 100 - 100 - 4.8=100 HE2 LYS 40 + HB2 LYS 40 OK 100 100 - 100 - 4.8=100 HB3 ASN 10 - HB2 LYS 40 lone 3 73 - 4 - Peak 1793 from cnoeabs.peaks (7.82, 1.65, 31.76 ppm; 3.87 A): 2 out of 4 assignments used, quality = 0.94: * H TYR 41 + HB2 LYS 40 OK 92 100 - 92 - 4.3=70, 1805/1.8=26...(18) H SER 9 + HB2 LYS 40 OK 25 87 - 29 - 1805/1.8=7, 1778/3.0=5...(10) H ASN 26 - HB2 LYS 40 OK 12 70 - 17 - 1805/1.8=3, 1778/3.0=2...(7) H LYS 73 - HB2 LYS 40 OK 10 65 - 15 - 1805/1.8=3, 1778/3.0=2...(5) Peak 1794 from cnoeabs.peaks (3.71, 1.68, 31.76 ppm; 3.59 A): 3 out of 3 assignments used, quality = 0.93: * HA GLU 37 + HB3 LYS 40 OK 76 100 - 76 - 1585/1.8=21, 1586=20...(21) HA LEU 42 + HB3 LYS 40 OK 47 99 - 48 - 1782/1.8=10, 10552/3.0=7...(14) HA3 GLY 100 + HB3 LYS 40 OK 44 97 - 45 - 1782/1.8=9, 10552/3.0=6...(14) Peak 1795 from cnoeabs.peaks (7.63, 1.68, 31.76 ppm; 3.27 A): 3 out of 3 assignments used, quality = 0.89: * H LYS 40 + HB3 LYS 40 OK 84 100 - 85 - 4.1=52, 1783/1.8=26...(15) HE22 GLN 50 + HB3 LYS 40 OK 21 94 - 22 - 1783/1.8=7, 1768/3.0=4...(7) H GLU 48 + HB3 LYS 40 OK 11 70 - 15 - 1783/1.8=3, 1768/3.0=3...(6) Peak 1796 from cnoeabs.peaks (3.86, 1.68, 31.76 ppm; 3.40 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 40 + HB3 LYS 40 OK 100 100 - 100 - 3.0=100 HA LEU 38 + HB3 LYS 40 OK 47 94 - 50 - 1623/4.3=8, 1784/1.8=6...(22) HA2 GLY 100 - HB3 LYS 40 OK 40 100 - 40 - 1.8/1794=9, ~1782=6...(15) HA GLU 43 - HB3 LYS 40 OK 19 65 - 29 - ~1779=4, ~1781=3...(10) HB3 SER 49 - HB3 LYS 40 OK 14 96 - 15 - 1784/1.8=2, 9080/4.1=1...(6) HA LYS 94 - HB3 LYS 40 OK 12 100 - 12 - 1784/1.8=2, 1818/2.9=1...(4) HA LYS 12 - HB3 LYS 40 OK 11 92 - 12 - 6628/4.1=2, 1784/1.8=2...(4) HA ALA 67 - HB3 LYS 40 lone 8 90 - 9 - 1784/1.8=1, 2979/2.9=1 HA2 GLY 101 - HB3 LYS 40 lone 8 100 - 8 - HA ALA 71 - HB3 LYS 40 lone 5 61 - 8 - ~10834=1 Peak 1797 from cnoeabs.peaks (1.65, 1.68, 31.76 ppm; 2.40 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LYS 40 + HB3 LYS 40 OK 100 100 - 100 - 1.8=100 HG2 LYS 68 - HB3 LYS 40 OK 17 99 - 17 - 1.8/1800=2, 1770/3.0=2...(5) HD3 LYS 39 - HB3 LYS 40 OK 16 99 - 16 - 1770/3.0=2, 6625/4.1=2...(6) HD3 LYS 68 - HB3 LYS 40 OK 15 99 - 15 - 1808/2.9=1, 1819/2.9=1...(4) HD2 LYS 68 - HB3 LYS 40 OK 15 98 - 15 - 1808/2.9=1, 1819/2.9=1...(4) HD2 LYS 39 - HB3 LYS 40 OK 15 96 - 16 - 1770/3.0=2, 6624/4.1=2...(5) HB ILE 76 - HB3 LYS 40 lone 6 100 - 6 - HB3 LEU 6 - HB3 LYS 40 lone 4 100 - 4 - HB3 ARG 79 - HB3 LYS 40 lone 1 96 - 1 - HD3 LYS 73 - HB3 LYS 40 lone 1 61 - 2 - Peak 1798 from cnoeabs.peaks (1.68, 1.68, 31.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 40 + HB3 LYS 40 OK 100 100 - 100 Peak 1799 from cnoeabs.peaks (1.16, 1.68, 31.76 ppm; 3.64 A): 2 out of 5 assignments used, quality = 1.00: * HG2 LYS 40 + HB3 LYS 40 OK 100 100 - 100 - 2.9=100 HB3 LEU 3 + HB3 LYS 40 OK 45 96 - 48 - 1787/1.8=8, 1821/2.9=6...(20) HB2 LEU 29 - HB3 LYS 40 OK 33 100 - 33 - 1787/1.8=6, 1821/2.9=5...(14) QG2 THR 34 - HB3 LYS 40 lone 6 70 - 9 - 1787/1.8=1, 1772/3.0=1 QG2 THR 31 - HB3 LYS 40 lone 5 70 - 7 - Peak 1800 from cnoeabs.peaks (1.36, 1.68, 31.76 ppm; 3.75 A): 1 out of 9 assignments used, quality = 1.00: * HG3 LYS 40 + HB3 LYS 40 OK 100 100 - 100 - 2.9=100 HG3 LYS 68 - HB3 LYS 40 OK 38 92 - 42 - 1788/1.8=5, 1.8/1797=4...(14) HB2 LEU 70 - HB3 LYS 40 OK 35 92 - 38 - 1788/1.8=4, 1773/3.0=4...(20) HG2 LYS 39 - HB3 LYS 40 OK 34 81 - 43 - 1773/3.0=5, 6632/4.1=5...(18) HB3 LEU 27 - HB3 LYS 40 OK 26 77 - 34 - 1788/1.8=3, 1811/2.9=3...(16) HB2 LYS 82 - HB3 LYS 40 OK 19 73 - 25 - 1788/1.8=2, 1811/2.9=2...(15) HG12 ILE 8 - HB3 LYS 40 OK 18 99 - 18 - 1788/1.8=2, 312/4.3=2...(8) HG LEU 14 - HB3 LYS 40 OK 12 94 - 12 - 1788/1.8=2, 6649/4.3=2...(5) HB3 ARG 30 - HB3 LYS 40 poor 9 87 - 10 - 1788/1.8=1, 6649/4.3=1 Peak 1801 from cnoeabs.peaks (1.46, 1.68, 31.76 ppm; 3.88 A): 4 out of 14 assignments used, quality = 1.00: * HD2 LYS 40 + HB3 LYS 40 OK 100 100 - 100 - 3.5=100 HD3 LYS 40 + HB3 LYS 40 OK 100 100 - 100 - 3.5=100 HB2 LEU 38 + HB3 LYS 40 OK 58 94 - 62 - ~1781=9, 3.1/12070=6...(27) HG LEU 38 + HB3 LYS 40 OK 56 99 - 57 - 2.1/12070=7, ~1781=5...(26) HG2 LYS 53 - HB3 LYS 40 OK 39 100 - 39 - 3.0/2396=3, 3.0/2440=3...(22) HG3 LYS 53 - HB3 LYS 40 OK 39 99 - 39 - 3.0/2396=3, 3.0/2440=3...(21) HD2 LYS 82 - HB3 LYS 40 OK 32 99 - 33 - 1813/2.9=2, 1790/1.8=2...(20) HB2 LEU 27 - HB3 LYS 40 OK 32 97 - 33 - 10482/2.9=4, 1.8/1800=3...(13) HD2 LYS 53 - HB3 LYS 40 OK 30 99 - 31 - 2440=3, 1.8/2451=3...(15) HG2 LYS 20 - HB3 LYS 40 OK 22 97 - 22 - ~1786=2, 1790/1.8=2...(10) HG13 ILE 52 - HB3 LYS 40 OK 21 97 - 21 - 2.1/2376=2, 1.8/2360=1...(7) HG3 ARG 91 - HB3 LYS 40 OK 14 87 - 16 - 1.8/4047=1 HG2 LYS 12 - HB3 LYS 40 poor 8 61 - 13 - 416/3.0=1, ~427=1...(4) HG LEU 64 - HB3 LYS 40 lone 5 73 - 7 - Peak 1802 from cnoeabs.peaks (1.47, 1.68, 31.76 ppm; 3.88 A): 4 out of 13 assignments used, quality = 1.00: * HD3 LYS 40 + HB3 LYS 40 OK 100 100 - 100 - 3.5=100 HD2 LYS 40 + HB3 LYS 40 OK 100 100 - 100 - 3.5=100 HB2 LEU 38 + HB3 LYS 40 OK 57 92 - 62 - ~1781=9, 3.1/12070=6...(27) HG LEU 38 + HB3 LYS 40 OK 55 98 - 57 - 2.1/12070=7, ~1781=5...(26) HG2 LYS 53 - HB3 LYS 40 OK 39 100 - 39 - 3.0/2396=3, 3.0/2440=3...(22) HG3 LYS 53 - HB3 LYS 40 OK 39 100 - 39 - 3.0/2396=3, 3.0/2440=3...(21) HD2 LYS 82 - HB3 LYS 40 OK 32 98 - 33 - 1813/2.9=2, 1790/1.8=2...(20) HB2 LEU 27 - HB3 LYS 40 OK 31 96 - 33 - 10482/2.9=4, 1.8/1800=3...(13) HD2 LYS 53 - HB3 LYS 40 OK 30 98 - 31 - 2440=3, 1.8/2451=3...(15) HG2 LYS 20 - HB3 LYS 40 OK 21 96 - 22 - ~1786=2, 1790/1.8=2...(10) HG13 ILE 52 - HB3 LYS 40 OK 20 96 - 21 - 2.1/2376=2, 1.8/2360=1...(7) HG3 ARG 91 - HB3 LYS 40 OK 13 84 - 15 - 1.8/4047=1 HG LEU 64 - HB3 LYS 40 lone 6 77 - 7 - Peak 1803 from cnoeabs.peaks (2.77, 1.68, 31.76 ppm; 5.50 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 40 + HB3 LYS 40 OK 100 100 - 100 - 4.8=100 HE3 LYS 40 + HB3 LYS 40 OK 100 100 - 100 - 4.8=100 HB3 ASN 10 - HB3 LYS 40 lone 3 77 - 4 - Peak 1804 from cnoeabs.peaks (2.77, 1.68, 31.76 ppm; 5.50 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 40 + HB3 LYS 40 OK 100 100 - 100 - 4.8=100 HE2 LYS 40 + HB3 LYS 40 OK 100 100 - 100 - 4.8=100 HB3 ASN 10 - HB3 LYS 40 lone 3 73 - 4 - Peak 1805 from cnoeabs.peaks (7.82, 1.68, 31.76 ppm; 3.75 A): 3 out of 4 assignments used, quality = 0.94: * H TYR 41 + HB3 LYS 40 OK 90 100 - 91 - 4.3=64, 1793/1.8=23...(21) H SER 9 + HB3 LYS 40 OK 24 87 - 28 - 1793/1.8=6, 1778/3.0=5...(8) H ASN 26 + HB3 LYS 40 OK 12 70 - 17 - 1793/1.8=3, 1778/3.0=2...(7) H LYS 73 - HB3 LYS 40 poor 10 65 - 14 - 1793/1.8=3, 1778/3.0=2...(5) Peak 1806 from cnoeabs.peaks (7.63, 1.16, 24.65 ppm; 4.33 A): 1 out of 3 assignments used, quality = 0.95: * H LYS 40 + HG2 LYS 40 OK 95 100 - 95 - 4.9=68, 1783/2.9=30...(20) HE22 GLN 50 - HG2 LYS 40 OK 30 94 - 32 - 1817/1.8=9, 1783/2.9=8...(7) H GLU 48 - HG2 LYS 40 OK 14 70 - 19 - 1795/2.9=4, 1817/1.8=4...(7) Peak 1807 from cnoeabs.peaks (3.86, 1.16, 24.65 ppm; 3.91 A): 1 out of 10 assignments used, quality = 1.00: * HA LYS 40 + HG2 LYS 40 OK 100 100 - 100 - 3.8=100 HA LEU 38 - HG2 LYS 40 OK 44 94 - 47 - 1818/1.8=7, 1784/2.9=6...(23) HA2 GLY 100 - HG2 LYS 40 OK 41 100 - 41 - 1.8/8962=7, 1818/1.8=6...(12) HB3 SER 49 - HG2 LYS 40 OK 14 96 - 15 - 1818/1.8=2, 1796/2.9=2...(6) HA LYS 94 - HG2 LYS 40 OK 11 100 - 11 - 1818/1.8=2, 1796/2.9=2...(5) HA LYS 12 - HG2 LYS 40 OK 11 92 - 12 - 1818/1.8=2, 6628/4.9=2...(4) HA ALA 67 - HG2 LYS 40 poor 10 90 - 11 - 4.8/8512=2, 2979/1.8=2...(5) HA GLU 43 - HG2 LYS 40 poor 8 65 - 13 - 1796/2.9=2, 1784/2.9=2...(5) HA2 GLY 101 - HG2 LYS 40 lone 8 100 - 8 - 1818/1.8=1, 1796/2.9=1 HA ALA 71 - HG2 LYS 40 lone 5 61 - 8 - ~7159=1, ~10834=1, 1818/1.8=1 Peak 1808 from cnoeabs.peaks (1.65, 1.16, 24.65 ppm; 3.37 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LYS 40 + HG2 LYS 40 OK 100 100 - 100 - 2.9=100 HG2 LYS 68 - HG2 LYS 40 OK 32 99 - 32 - 1.8/1811=5, 1819/1.8=4...(9) HD3 LYS 68 - HG2 LYS 40 OK 31 99 - 32 - 1819/1.8=4, 3.0/1811=3...(11) HD2 LYS 68 - HG2 LYS 40 OK 31 98 - 31 - 1819/1.8=4, 3.0/1811=3...(11) HD3 LYS 39 - HG2 LYS 40 OK 30 99 - 30 - 1819/1.8=4, 1770/3.8=3...(9) HD2 LYS 39 - HG2 LYS 40 OK 28 96 - 29 - 1819/1.8=4, 1770/3.8=3...(10) HB ILE 76 - HG2 LYS 40 lone 9 100 - 9 - 1819/1.8=1, 1797/2.9=1 HB3 LEU 6 - HG2 LYS 40 lone 8 100 - 8 - HB3 ARG 79 - HG2 LYS 40 lone 3 96 - 3 - HD3 LYS 73 - HG2 LYS 40 lone 2 61 - 4 - Peak 1809 from cnoeabs.peaks (1.68, 1.16, 24.65 ppm; 3.37 A): 1 out of 23 assignments used, quality = 1.00: * HB3 LYS 40 + HG2 LYS 40 OK 100 100 - 100 - 2.9=100 HB3 LYS 53 - HG2 LYS 40 OK 27 100 - 27 - 1820/1.8=3, 1786/2.9=2...(9) HG3 LYS 20 - HG2 LYS 40 OK 20 94 - 21 - 1820/1.8=2, 1786/2.9=2...(6) HG LEU 70 - HG2 LYS 40 OK 16 77 - 21 - 1820/1.8=3, 3.0/1811=2...(11) HD2 LYS 20 - HG2 LYS 40 OK 16 98 - 17 - 1820/1.8=2, 1786/2.9=1...(5) HD3 LYS 20 - HG2 LYS 40 OK 15 94 - 16 - 1820/1.8=2, 1786/2.9=1...(5) HB ILE 52 - HG2 LYS 40 OK 13 84 - 15 - 1820/1.8=1, 4.5/9183=1...(4) HB3 ARG 91 - HG2 LYS 40 OK 11 100 - 11 - 1820/1.8=1 HG12 ILE 15 - HG2 LYS 40 lone 7 92 - 8 - HD3 LYS 47 - HG2 LYS 40 lone 6 100 - 6 - HD2 LYS 47 - HG2 LYS 40 lone 6 100 - 6 - HD3 LYS 12 - HG2 LYS 40 lone 5 70 - 7 - HD2 LYS 12 - HG2 LYS 40 lone 5 70 - 7 - HG2 PRO 86 - HG2 LYS 40 lone 4 94 - 4 - HB2 LEU 2 - HG2 LYS 40 lone 3 65 - 5 - 4.6/6026=1 HD2 LYS 73 - HG2 LYS 40 lone 3 73 - 4 - HD3 LYS 73 - HG2 LYS 40 lone 2 65 - 3 - HD3 LYS 90 - HG2 LYS 40 lone 2 84 - 3 - HD2 LYS 24 - HG2 LYS 40 lone 2 87 - 2 - HD3 LYS 24 - HG2 LYS 40 lone 2 84 - 2 - HD2 LYS 13 - HG2 LYS 40 lone 1 70 - 2 - HD3 LYS 13 - HG2 LYS 40 lone 1 61 - 2 - HD3 LYS 66 - HG2 LYS 40 lone 1 65 - 1 - Peak 1810 from cnoeabs.peaks (1.16, 1.16, 24.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 40 + HG2 LYS 40 OK 100 100 - 100 Peak 1811 from cnoeabs.peaks (1.36, 1.16, 24.65 ppm; 2.68 A): 1 out of 9 assignments used, quality = 1.00: * HG3 LYS 40 + HG2 LYS 40 OK 100 100 - 100 - 1.8=100 HG3 LYS 68 - HG2 LYS 40 OK 20 92 - 21 - 1.8/1808=3, 3.0/1808=2...(10) HG2 LYS 39 - HG2 LYS 40 OK 15 81 - 19 - 1773/3.8=2, 3.0/1808=2...(7) HB3 LEU 27 - HG2 LYS 40 OK 14 77 - 18 - 3.1/10134=2, 1.8/10482=2...(7) HB2 LEU 70 - HG2 LYS 40 OK 14 92 - 15 - 1800/2.9=2, 1788/2.9=2...(4) HB2 LYS 82 - HG2 LYS 40 OK 10 73 - 14 - ~3695=1 HG12 ILE 8 - HG2 LYS 40 lone 8 99 - 8 - HB3 ARG 30 - HG2 LYS 40 lone 6 87 - 6 - 4.0/6477=1 HG LEU 14 - HG2 LYS 40 lone 5 94 - 5 - Peak 1812 from cnoeabs.peaks (1.46, 1.16, 24.65 ppm; 3.22 A): 2 out of 14 assignments used, quality = 1.00: * HD2 LYS 40 + HG2 LYS 40 OK 100 100 - 100 - 3.0=100 HD3 LYS 40 + HG2 LYS 40 OK 100 100 - 100 - 3.0=100 HB2 LEU 38 - HG2 LYS 40 OK 32 94 - 34 - 3.0/1807=3, 1823/1.8=3...(14) HG LEU 38 - HG2 LYS 40 OK 28 99 - 29 - 3.7/1807=3, 1775/3.8=3...(11) HD2 LYS 82 - HG2 LYS 40 OK 27 99 - 28 - 1832=3, 1824/1.8=2...(16) HB2 LEU 27 - HG2 LYS 40 OK 26 97 - 27 - 1.8/1811=3, 3.1/10134=3...(10) HG3 LYS 53 - HG2 LYS 40 OK 24 99 - 24 - 3.0/1809=2, 1824/1.8=2...(8) HG2 LYS 53 - HG2 LYS 40 OK 23 100 - 23 - 3.0/1809=2, 1824/1.8=2...(7) HD2 LYS 53 - HG2 LYS 40 OK 18 99 - 18 - 3.6/1809=2, 2440/2.9=2 HG2 LYS 20 - HG2 LYS 40 OK 16 97 - 17 - 1.8/1809=2, 2.8/1809=1...(5) HG13 ILE 52 - HG2 LYS 40 OK 11 97 - 11 - 3.0/1809=1 HG3 ARG 91 - HG2 LYS 40 lone 7 87 - 8 - 2.8/1809=1 HG2 LYS 12 - HG2 LYS 40 lone 4 61 - 7 - HG LEU 64 - HG2 LYS 40 lone 3 73 - 4 - Peak 1813 from cnoeabs.peaks (1.47, 1.16, 24.65 ppm; 3.22 A): 2 out of 13 assignments used, quality = 1.00: * HD3 LYS 40 + HG2 LYS 40 OK 100 100 - 100 - 3.0=100 HD2 LYS 40 + HG2 LYS 40 OK 100 100 - 100 - 3.0=100 HB2 LEU 38 - HG2 LYS 40 OK 31 92 - 34 - 3.0/1807=3, 1823/1.8=3...(14) HG LEU 38 - HG2 LYS 40 OK 28 98 - 29 - 3.7/1807=3, 1775/3.8=3...(11) HD2 LYS 82 - HG2 LYS 40 OK 27 98 - 28 - 1832=3, 1824/1.8=2...(16) HB2 LEU 27 - HG2 LYS 40 OK 26 96 - 27 - 1.8/1811=3, 3.1/10134=3...(10) HG3 LYS 53 - HG2 LYS 40 OK 24 100 - 24 - 3.0/1809=2, 1824/1.8=2...(8) HG2 LYS 53 - HG2 LYS 40 OK 23 100 - 23 - 3.0/1809=2, 1824/1.8=2...(7) HD2 LYS 53 - HG2 LYS 40 OK 18 98 - 18 - 3.6/1809=2, 2440/2.9=2 HG2 LYS 20 - HG2 LYS 40 OK 16 96 - 17 - 1.8/1809=2, 2.8/1809=1...(5) HG13 ILE 52 - HG2 LYS 40 OK 11 96 - 11 - 3.0/1809=1 HG3 ARG 91 - HG2 LYS 40 lone 7 84 - 8 - 2.8/1809=1 HG LEU 64 - HG2 LYS 40 lone 3 77 - 4 - Peak 1814 from cnoeabs.peaks (2.77, 1.16, 24.65 ppm; 4.10 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 40 + HG2 LYS 40 OK 100 100 - 100 - 4.0=100 HE3 LYS 40 + HG2 LYS 40 OK 100 100 - 100 - 4.0=100 HB3 ASN 10 - HG2 LYS 40 lone 2 77 - 2 - Peak 1815 from cnoeabs.peaks (2.77, 1.16, 24.65 ppm; 4.10 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 40 + HG2 LYS 40 OK 100 100 - 100 - 4.0=100 HE2 LYS 40 + HG2 LYS 40 OK 100 100 - 100 - 4.0=100 HB3 ASN 10 - HG2 LYS 40 lone 1 73 - 2 - Peak 1816 from cnoeabs.peaks (7.82, 1.16, 24.65 ppm; 4.85 A): 2 out of 4 assignments used, quality = 0.95: * H TYR 41 + HG2 LYS 40 OK 92 100 - 92 - 1805/2.9=28, 1793/2.9=27...(19) H SER 9 + HG2 LYS 40 OK 38 87 - 44 - 1827/1.8=9, 1805/2.9=8...(12) H ASN 26 - HG2 LYS 40 OK 19 70 - 27 - 1827/1.8=4, 1805/2.9=4...(11) H LYS 73 - HG2 LYS 40 OK 14 65 - 21 - 1827/1.8=3, 1793/2.9=3...(5) Peak 1817 from cnoeabs.peaks (7.63, 1.36, 24.65 ppm; 4.12 A): 2 out of 3 assignments used, quality = 0.95: * H LYS 40 + HG3 LYS 40 OK 93 100 - 93 - 4.9=59, 1783/2.9=28...(19) HE22 GLN 50 + HG3 LYS 40 OK 28 94 - 29 - 1806/1.8=8, 1783/2.9=7...(6) H GLU 48 - HG3 LYS 40 OK 12 70 - 17 - 1795/2.9=4, 1806/1.8=4...(4) Peak 1818 from cnoeabs.peaks (3.86, 1.36, 24.65 ppm; 3.48 A): 2 out of 10 assignments used, quality = 0.96: * HA LYS 40 + HG3 LYS 40 OK 93 100 - 93 - 3.8=78, 2.9/1817=15...(21) HA LEU 38 + HG3 LYS 40 OK 36 94 - 39 - 1807/1.8=5, 1784/2.9=5...(17) HA2 GLY 100 - HG3 LYS 40 OK 32 100 - 32 - 1807/1.8=5, 1.8/8963=4...(11) HB3 SER 49 - HG3 LYS 40 OK 11 96 - 12 - 1807/1.8=2, 1796/2.9=1...(5) HA LYS 94 - HG3 LYS 40 lone 9 100 - 9 - 1807/1.8=1, 1796/2.9=1 HA LYS 12 - HG3 LYS 40 lone 9 92 - 10 - 6628/4.9=1, 1807/1.8=1...(4) HA ALA 67 - HG3 LYS 40 poor 9 90 - 10 - 2979=2, 1807/1.8=1, 3.6/7110=1 HA GLU 43 - HG3 LYS 40 poor 7 65 - 10 - 1796/2.9=2, 1784/2.9=2...(4) HA2 GLY 101 - HG3 LYS 40 lone 6 100 - 5 - HA ALA 71 - HG3 LYS 40 lone 5 61 - 9 - 3.0/7159=2, 4.9/3126=1 Peak 1819 from cnoeabs.peaks (1.65, 1.36, 24.65 ppm; 3.40 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LYS 40 + HG3 LYS 40 OK 100 100 - 100 - 2.9=100 HG2 LYS 68 - HG3 LYS 40 OK 35 99 - 35 - 1808/1.8=4, 3026=4...(12) HD3 LYS 39 - HG3 LYS 40 OK 32 99 - 33 - 1808/1.8=4, 1770/3.8=3...(13) HD3 LYS 68 - HG3 LYS 40 OK 32 99 - 32 - 1808/1.8=4, 1797/2.9=3...(13) HD2 LYS 68 - HG3 LYS 40 OK 32 98 - 32 - 1808/1.8=4, 1797/2.9=3...(13) HD2 LYS 39 - HG3 LYS 40 OK 30 96 - 32 - 1808/1.8=4, 1770/3.8=3...(13) HB ILE 76 - HG3 LYS 40 lone 9 100 - 9 - 1808/1.8=1, 1797/2.9=1 HB3 LEU 6 - HG3 LYS 40 lone 7 100 - 7 - 1808/1.8=1 HB3 ARG 79 - HG3 LYS 40 lone 4 96 - 4 - HD3 LYS 73 - HG3 LYS 40 lone 3 61 - 4 - Peak 1820 from cnoeabs.peaks (1.68, 1.36, 24.65 ppm; 3.53 A): 1 out of 23 assignments used, quality = 1.00: * HB3 LYS 40 + HG3 LYS 40 OK 100 100 - 100 - 2.9=100 HB3 LYS 53 - HG3 LYS 40 OK 26 100 - 27 - 1809/1.8=4, 1786/2.9=2...(8) HG LEU 70 - HG3 LYS 40 OK 22 77 - 28 - 2.1/3168=3, 2.1/3160=3...(14) HG3 LYS 20 - HG3 LYS 40 OK 21 94 - 23 - 1809/1.8=3, 1786/2.9=2...(7) HD2 LYS 20 - HG3 LYS 40 OK 18 98 - 18 - 1809/1.8=2, 1786/2.9=2...(5) HD3 LYS 20 - HG3 LYS 40 OK 17 94 - 18 - 1809/1.8=2, 1786/2.9=1...(5) HB ILE 52 - HG3 LYS 40 OK 13 84 - 15 - 1809/1.8=2, 1786/2.9=1 HB3 ARG 91 - HG3 LYS 40 OK 12 100 - 12 - 1809/1.8=2, 1786/2.9=1 HG12 ILE 15 - HG3 LYS 40 lone 8 92 - 9 - ~8467=1, 1771/3.8=1, 1809/1.8=1 HD3 LYS 47 - HG3 LYS 40 lone 7 100 - 7 - HD2 LYS 47 - HG3 LYS 40 lone 7 100 - 7 - HD2 LYS 12 - HG3 LYS 40 lone 6 70 - 8 - HD3 LYS 12 - HG3 LYS 40 lone 6 70 - 8 - HG2 PRO 86 - HG3 LYS 40 lone 5 94 - 5 - HD2 LYS 73 - HG3 LYS 40 lone 4 73 - 5 - 6.4/9576=1 HB2 LEU 2 - HG3 LYS 40 lone 3 65 - 4 - HD3 LYS 73 - HG3 LYS 40 lone 3 65 - 4 - 6.4/9576=1 HD3 LYS 90 - HG3 LYS 40 lone 2 84 - 2 - HD2 LYS 24 - HG3 LYS 40 lone 2 87 - 2 - HD3 LYS 24 - HG3 LYS 40 lone 2 84 - 2 - HD2 LYS 13 - HG3 LYS 40 lone 2 70 - 2 - HD3 LYS 13 - HG3 LYS 40 lone 1 61 - 2 - HD3 LYS 66 - HG3 LYS 40 lone 1 65 - 2 - Peak 1821 from cnoeabs.peaks (1.16, 1.36, 24.65 ppm; 2.71 A): 1 out of 5 assignments used, quality = 1.00: * HG2 LYS 40 + HG3 LYS 40 OK 100 100 - 100 - 1.8=100 HB3 LEU 3 - HG3 LYS 40 OK 24 96 - 25 - 1799/2.9=4, 1787/2.9=3...(12) HB2 LEU 29 - HG3 LYS 40 OK 19 100 - 19 - 1787/2.9=3, 1799/2.9=3...(11) QG2 THR 34 - HG3 LYS 40 lone 2 70 - 3 - QG2 THR 31 - HG3 LYS 40 lone 2 70 - 3 - Peak 1822 from cnoeabs.peaks (1.36, 1.36, 24.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 40 + HG3 LYS 40 OK 100 100 - 100 Peak 1823 from cnoeabs.peaks (1.46, 1.36, 24.65 ppm; 2.89 A): 2 out of 14 assignments used, quality = 1.00: * HD2 LYS 40 + HG3 LYS 40 OK 95 100 - 95 - 3.0=93, 1.8/1844=6...(10) HD3 LYS 40 + HG3 LYS 40 OK 95 100 - 95 - 3.0=93, 1.8/1844=6...(10) HB2 LEU 38 - HG3 LYS 40 OK 26 94 - 28 - 3.0/1818=3, 1775/3.8=2...(11) HG LEU 38 - HG3 LYS 40 OK 22 99 - 23 - 3.7/1818=2, 1775/3.8=2...(9) HD2 LYS 82 - HG3 LYS 40 OK 20 99 - 21 - 1813/1.8=2, 1833=2...(6) HB2 LEU 27 - HG3 LYS 40 OK 20 97 - 20 - 10482/1.8=2, 1191=2...(6) HG3 LYS 53 - HG3 LYS 40 OK 17 99 - 18 - 3.0/1820=2, 1813/1.8=2...(5) HG2 LYS 53 - HG3 LYS 40 OK 17 100 - 17 - 3.0/1820=2, 1813/1.8=2...(5) HG2 LYS 20 - HG3 LYS 40 OK 12 97 - 13 - 1.8/1820=2, ~1809=1...(5) HD2 LYS 53 - HG3 LYS 40 OK 12 99 - 12 - 2440/2.9=2, 3.6/1820=1 HG13 ILE 52 - HG3 LYS 40 lone 8 97 - 8 - HG3 ARG 91 - HG3 LYS 40 lone 6 87 - 6 - HG2 LYS 12 - HG3 LYS 40 lone 3 61 - 5 - HG LEU 64 - HG3 LYS 40 lone 3 73 - 4 - Peak 1824 from cnoeabs.peaks (1.47, 1.36, 24.65 ppm; 2.89 A): 2 out of 13 assignments used, quality = 1.00: * HD3 LYS 40 + HG3 LYS 40 OK 95 100 - 95 - 3.0=93, 1.8/1844=6...(10) HD2 LYS 40 + HG3 LYS 40 OK 95 100 - 95 - 3.0=93, 1.8/1844=6...(10) HB2 LEU 38 - HG3 LYS 40 OK 25 92 - 27 - 3.0/1818=3, 1775/3.8=2...(11) HG LEU 38 - HG3 LYS 40 OK 22 98 - 23 - 3.7/1818=2, 1775/3.8=2...(9) HD2 LYS 82 - HG3 LYS 40 OK 20 98 - 21 - 1813/1.8=2, 1833=2...(6) HB2 LEU 27 - HG3 LYS 40 OK 19 96 - 20 - 10482/1.8=2, 1191=2...(6) HG3 LYS 53 - HG3 LYS 40 OK 17 100 - 18 - 3.0/1820=2, 1813/1.8=2...(5) HG2 LYS 53 - HG3 LYS 40 OK 17 100 - 17 - 3.0/1820=2, 1813/1.8=2...(5) HG2 LYS 20 - HG3 LYS 40 OK 12 96 - 13 - 1.8/1820=2, ~1809=1...(5) HD2 LYS 53 - HG3 LYS 40 OK 12 98 - 12 - 2440/2.9=1, 3.6/1820=1 HG13 ILE 52 - HG3 LYS 40 lone 8 96 - 8 - HG3 ARG 91 - HG3 LYS 40 lone 5 84 - 6 - HG LEU 64 - HG3 LYS 40 lone 3 77 - 4 - Peak 1825 from cnoeabs.peaks (2.77, 1.36, 24.65 ppm; 4.26 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 40 + HG3 LYS 40 OK 100 100 - 100 - 4.0=100 HE3 LYS 40 + HG3 LYS 40 OK 100 100 - 100 - 4.0=100 HB3 ASN 10 - HG3 LYS 40 lone 2 77 - 2 - Peak 1826 from cnoeabs.peaks (2.77, 1.36, 24.65 ppm; 4.26 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 40 + HG3 LYS 40 OK 100 100 - 100 - 4.0=100 HE2 LYS 40 + HG3 LYS 40 OK 100 100 - 100 - 4.0=100 HB3 ASN 10 - HG3 LYS 40 lone 2 73 - 2 - Peak 1827 from cnoeabs.peaks (7.82, 1.36, 24.65 ppm; 5.45 A): 2 out of 4 assignments used, quality = 0.97: * H TYR 41 + HG3 LYS 40 OK 94 100 - 94 - 1805/2.9=31, 1793/2.9=31...(20) H SER 9 + HG3 LYS 40 OK 48 87 - 56 - 1816/1.8=11, 1793/2.9=8...(16) H ASN 26 - HG3 LYS 40 OK 22 70 - 32 - 1816/1.8=5, 1805/2.9=4...(11) H LYS 73 - HG3 LYS 40 OK 18 65 - 27 - 1816/1.8=4, 1778/3.8=4...(10) Peak 1828 from cnoeabs.peaks (7.63, 1.46, 28.90 ppm; 5.50 A): 2 out of 9 assignments used, quality = 1.00: * H LYS 40 + HD2 LYS 40 OK 98 100 - 98 - 6.2=72, 1783/3.5=35...(18) H LYS 40 + HD3 LYS 40 OK 98 100 - 98 - 6.2=72, 1783/3.5=35...(18) HE22 GLN 50 - HD2 LYS 40 OK 36 94 - 39 - 1806/3.0=10, 1817/3.0=10...(5) HE22 GLN 50 - HD3 LYS 40 OK 36 94 - 39 - 1806/3.0=10, 1817/3.0=10...(5) H LYS 40 - HD2 LYS 82 OK 19 92 - 21 - 4.9/1813=2, 4.1/1790=2...(8) H GLU 48 - HD2 LYS 40 OK 16 70 - 23 - 1806/3.0=4, 1795/3.5=4...(5) H GLU 48 - HD3 LYS 40 OK 16 69 - 23 - 1806/3.0=4, 1795/3.5=4...(5) HE22 GLN 50 - HD2 LYS 82 lone 3 82 - 4 - H GLU 48 - HD2 LYS 82 lone 2 58 - 3 - Peak 1829 from cnoeabs.peaks (3.86, 1.46, 28.90 ppm; 4.38 A): 4 out of 30 assignments used, quality = 1.00: * HA LYS 40 + HD2 LYS 40 OK 93 100 - 93 - 5.2=59, 1818/3.0=17...(22) HA LYS 40 + HD3 LYS 40 OK 93 100 - 93 - 5.2=59, 1818/3.0=17...(22) HA LEU 38 + HD2 LYS 40 OK 54 94 - 58 - 1818/3.0=6, 1784/3.5=6...(26) HA LEU 38 + HD3 LYS 40 OK 54 94 - 58 - 1818/3.0=6, 1784/3.5=6...(26) HA2 GLY 100 - HD2 LYS 40 OK 45 100 - 44 - 1818/3.0=6, 1807/3.0=6...(11) HA2 GLY 100 - HD3 LYS 40 OK 45 100 - 44 - 1818/3.0=6, 1807/3.0=6...(11) HB3 SER 49 - HD2 LYS 40 OK 21 96 - 21 - 1.8/9064=2, 1818/3.0=2...(10) HB3 SER 49 - HD3 LYS 40 OK 20 95 - 21 - 1.8/9064=2, 1818/3.0=2...(10) HA LYS 40 - HD2 LYS 82 OK 16 92 - 17 - 3.8/1813=2, 3.8/1824=2...(6) HA LEU 38 - HD2 LYS 82 OK 14 82 - 17 - 3.8/10940=3, 3.0/1638=1...(5) HA LYS 12 - HD3 LYS 40 OK 12 91 - 13 - 1818/3.0=2, 1807/3.0=2...(5) HA LYS 94 - HD2 LYS 40 OK 12 100 - 12 - 1818/3.0=2, 1796/3.5=2...(5) HA LYS 12 - HD2 LYS 40 OK 12 92 - 13 - 1818/3.0=2, 1807/3.0=2...(5) HA LYS 94 - HD3 LYS 40 OK 12 100 - 12 - 1818/3.0=2, 1796/3.5=2...(5) HA GLU 43 - HD2 LYS 40 OK 10 65 - 16 - ~10610=3, 1796/3.5=3...(7) HA GLU 43 - HD3 LYS 40 OK 10 65 - 16 - ~10610=3, 1796/3.5=3...(7) HA2 GLY 101 - HD2 LYS 40 lone 10 100 - 9 - ~10102=1, 1.8/10102=1...(5) HA2 GLY 101 - HD3 LYS 40 lone 10 100 - 9 - 1.8/10102=1, ~10102=1...(5) HA ALA 67 - HD2 LYS 40 lone 9 90 - 10 - 2979/3.0=2, 1807/3.0=1...(4) HA ALA 67 - HD3 LYS 40 lone 9 89 - 9 - 2979/3.0=2, 1807/3.0=1...(4) HA ALA 67 - HD2 LYS 82 lone 7 78 - 9 - ~3705=1, 2976/3.5=1...(4) HA ALA 71 - HD2 LYS 40 lone 5 61 - 8 - ~10834=1, ~7159=1 HA ALA 71 - HD3 LYS 40 lone 5 61 - 8 - ~10834=1, ~7159=1 HB3 SER 49 - HD2 LYS 82 lone 4 84 - 5 - HA2 GLY 100 - HD2 LYS 82 lone 4 92 - 4 - HA LYS 94 - HD2 LYS 82 lone 3 92 - 4 - HA2 GLY 101 - HD2 LYS 82 lone 3 92 - 3 - HA LYS 12 - HD2 LYS 82 lone 3 80 - 4 - HA GLU 43 - HD2 LYS 82 lone 2 55 - 3 - HA ALA 71 - HD2 LYS 82 lone 1 51 - 2 - Peak 1830 from cnoeabs.peaks (1.65, 1.46, 28.90 ppm; 4.30 A): 2 out of 30 assignments used, quality = 1.00: * HB2 LYS 40 + HD2 LYS 40 OK 100 100 - 100 - 3.5=100 HB2 LYS 40 + HD3 LYS 40 OK 100 100 - 100 - 3.5=100 HG2 LYS 68 - HD3 LYS 40 OK 44 99 - 44 - 1819/3.0=5, 1808/3.0=5...(18) HG2 LYS 68 - HD2 LYS 40 OK 44 99 - 44 - 1819/3.0=5, 1808/3.0=5...(18) HD3 LYS 68 - HD3 LYS 40 OK 43 99 - 43 - 1808/3.0=4, 1819/3.0=4...(15) HD3 LYS 68 - HD2 LYS 40 OK 43 99 - 43 - 1808/3.0=4, 1819/3.0=4...(15) HD2 LYS 68 - HD2 LYS 40 OK 42 98 - 43 - 1808/3.0=4, 1819/3.0=4...(15) HD2 LYS 68 - HD3 LYS 40 OK 42 98 - 43 - 1808/3.0=4, 1819/3.0=4...(15) HD3 LYS 39 - HD2 LYS 40 OK 42 99 - 43 - 1819/3.0=4, 1808/3.0=4...(17) HD3 LYS 39 - HD3 LYS 40 OK 42 99 - 43 - 1819/3.0=4, 1808/3.0=4...(18) HD2 LYS 39 - HD2 LYS 40 OK 40 96 - 42 - 1819/3.0=4, 1808/3.0=4...(18) HD2 LYS 39 - HD3 LYS 40 OK 39 95 - 42 - 1819/3.0=4, 1808/3.0=4...(19) HB2 LYS 40 - HD2 LYS 82 OK 36 92 - 39 - 1790=3, ~3709=3, ~3699=3...(24) HD3 LYS 39 - HD2 LYS 82 OK 31 89 - 35 - ~3712=5, ~3690=4...(15) HB3 ARG 79 - HD2 LYS 82 OK 28 84 - 33 - ~3704=7, ~3671=5...(7) HD2 LYS 39 - HD2 LYS 82 OK 28 84 - 33 - ~3712=5, ~3690=4...(14) HB ILE 76 - HD2 LYS 40 OK 13 100 - 13 - 1797/3.5=1, 1808/3.0=1...(5) HB ILE 76 - HD3 LYS 40 OK 13 100 - 13 - 1797/3.5=1, 1808/3.0=1...(5) HB3 LEU 6 - HD2 LYS 40 lone 10 100 - 10 - 1808/3.0=1, 1819/3.0=1 HG2 LYS 68 - HD2 LYS 82 poor 10 90 - 11 - 10256/10195=1, 12320/10940=1 HB3 LEU 6 - HD3 LYS 40 lone 10 100 - 10 - 1808/3.0=1, 1819/3.0=1 HB3 ARG 79 - HD2 LYS 40 lone 6 96 - 6 - HB3 ARG 79 - HD3 LYS 40 lone 6 95 - 6 - HD3 LYS 68 - HD2 LYS 82 lone 6 89 - 7 - HD2 LYS 68 - HD2 LYS 82 lone 6 88 - 7 - HB3 LEU 6 - HD2 LYS 82 lone 6 91 - 6 - ~9768=1 HD3 LYS 73 - HD2 LYS 40 lone 3 61 - 5 - HD3 LYS 73 - HD3 LYS 40 lone 3 61 - 5 - HB ILE 76 - HD2 LYS 82 lone 3 91 - 3 - HD3 LYS 73 - HD2 LYS 82 lone 1 51 - 1 - Peak 1831 from cnoeabs.peaks (1.68, 1.46, 28.90 ppm; 4.32 A): 2 out of 69 assignments used, quality = 1.00: * HB3 LYS 40 + HD2 LYS 40 OK 100 100 - 100 - 3.5=100 HB3 LYS 40 + HD3 LYS 40 OK 100 100 - 100 - 3.5=100 HB3 LYS 53 - HD2 LYS 40 OK 42 100 - 42 - 1809/3.0=4, 1820/3.0=4...(21) HB3 LYS 53 - HD3 LYS 40 OK 42 100 - 42 - 1809/3.0=4, 1820/3.0=4...(21) HB3 LYS 40 - HD2 LYS 82 OK 37 92 - 40 - 1802=3, ~3709=3, ~3699=3...(24) HG3 LYS 20 - HD2 LYS 40 OK 36 94 - 38 - 1809/3.0=3, 1820/3.0=3...(15) HG3 LYS 20 - HD3 LYS 40 OK 36 94 - 38 - 1809/3.0=3, 1820/3.0=3...(15) HB3 ARG 91 - HD2 LYS 82 OK 35 92 - 37 - ~4029=4, ~3707=4...(21) HD2 LYS 20 - HD2 LYS 40 OK 32 98 - 33 - 1809/3.0=2, 1820/3.0=2...(10) HD2 LYS 20 - HD3 LYS 40 OK 32 98 - 33 - 1809/3.0=2, 1820/3.0=2...(10) HD3 LYS 20 - HD2 LYS 40 OK 31 94 - 33 - 2.8/897=2, 1809/3.0=2...(11) HB3 LYS 53 - HD2 LYS 82 OK 31 91 - 33 - 2411/1.8=5, ~10935=4...(15) HD3 LYS 20 - HD3 LYS 40 OK 31 94 - 33 - 2.8/897=2, 1809/3.0=2...(11) HG12 ILE 15 - HD2 LYS 82 OK 30 80 - 38 - ~8462=14, ~8463=9...(7) HB ILE 52 - HD2 LYS 40 OK 25 84 - 30 - 1809/3.0=2, 2347=2...(13) HB ILE 52 - HD3 LYS 40 OK 25 83 - 29 - 1809/3.0=2, 1820/3.0=2...(13) HB3 ARG 91 - HD2 LYS 40 OK 23 100 - 23 - 1809/3.0=2, 1820/3.0=2...(4) HB3 ARG 91 - HD3 LYS 40 OK 23 100 - 23 - 1809/3.0=2, 1820/3.0=2...(4) HG LEU 70 - HD2 LYS 40 OK 23 77 - 30 - 1820/3.0=3, 1809/3.0=2...(13) HG LEU 70 - HD3 LYS 40 OK 23 77 - 30 - 1820/3.0=3, 1809/3.0=2...(13) HD3 LYS 47 - HD2 LYS 40 OK 10 100 - 10 - HD3 LYS 47 - HD3 LYS 40 OK 10 100 - 10 - HD2 LYS 47 - HD2 LYS 40 OK 10 100 - 10 - HD2 LYS 47 - HD3 LYS 40 OK 10 100 - 10 - HG12 ILE 15 - HD2 LYS 40 poor 10 92 - 10 - ~8467=1, 1820/3.0=1, 1809/3.0=1 HB ILE 52 - HD2 LYS 82 poor 10 72 - 13 - ~9762=2, ~9768=1...(4) HG12 ILE 15 - HD3 LYS 40 poor 10 91 - 10 - ~8467=1, 1820/3.0=1, 1809/3.0=1 HG2 PRO 86 - HD2 LYS 40 lone 8 94 - 8 - 1.8/9888=1 HG2 PRO 86 - HD3 LYS 40 lone 7 94 - 8 - 1.8/9888=1 HD3 LYS 12 - HD3 LYS 40 poor 7 69 - 10 - HD2 LYS 12 - HD3 LYS 40 poor 7 69 - 10 - HB2 LEU 2 - HD2 LYS 40 poor 7 65 - 11 - 3.1/12039=2, 3.1/12040=2...(4) HD3 LYS 12 - HD2 LYS 40 lone 7 70 - 10 - HD2 LYS 12 - HD2 LYS 40 lone 7 70 - 10 - HB2 LEU 2 - HD3 LYS 40 poor 7 65 - 11 - 3.1/12039=2, 3.1/12040=2...(4) HG3 LYS 20 - HD2 LYS 82 lone 6 82 - 7 - HD2 LYS 20 - HD2 LYS 82 lone 5 88 - 6 - HB2 LEU 2 - HD2 LYS 82 lone 6 55 - 10 - 3.1/12040=2, 3.1/12039=2 HD2 LYS 73 - HD2 LYS 40 lone 5 73 - 7 - HD2 LYS 73 - HD3 LYS 40 lone 5 73 - 7 - HD3 LYS 20 - HD2 LYS 82 lone 5 82 - 6 - HG2 PRO 86 - HD2 LYS 82 lone 4 82 - 5 - ~10958=2 HD3 LYS 73 - HD2 LYS 40 lone 4 65 - 5 - HD3 LYS 73 - HD3 LYS 40 lone 4 65 - 5 - HD3 LYS 90 - HD2 LYS 40 lone 3 84 - 4 - HD3 LYS 90 - HD3 LYS 40 lone 3 83 - 4 - HD2 LYS 24 - HD3 LYS 40 lone 3 86 - 3 - HD2 LYS 24 - HD2 LYS 40 lone 3 87 - 3 - HD3 LYS 24 - HD3 LYS 40 lone 3 83 - 3 - HD3 LYS 24 - HD2 LYS 40 lone 3 84 - 3 - HD3 LYS 90 - HD2 LYS 82 lone 2 72 - 3 - HD2 LYS 13 - HD2 LYS 40 lone 2 70 - 3 - HD2 LYS 13 - HD3 LYS 40 lone 2 69 - 3 - HD3 LYS 47 - HD2 LYS 82 lone 2 91 - 2 - HD2 LYS 47 - HD2 LYS 82 lone 2 91 - 2 - HD3 LYS 13 - HD2 LYS 40 lone 2 61 - 3 - HD3 LYS 66 - HD2 LYS 82 lone 2 55 - 3 - 3.6/3695=1 HD3 LYS 13 - HD3 LYS 40 lone 2 61 - 3 - HD3 LYS 66 - HD2 LYS 40 lone 2 65 - 2 - HD3 LYS 66 - HD3 LYS 40 lone 2 65 - 2 - HG LEU 70 - HD2 LYS 82 lone 1 65 - 2 - HD2 LYS 12 - HD2 LYS 82 lone 1 58 - 2 - HD3 LYS 12 - HD2 LYS 82 lone 1 58 - 2 - HD2 LYS 73 - HD2 LYS 82 lone 1 62 - 2 - HD2 LYS 24 - HD2 LYS 82 lone 1 75 - 1 - HD3 LYS 24 - HD2 LYS 82 lone 1 72 - 1 - HD3 LYS 73 - HD2 LYS 82 lone 1 55 - 1 - HD2 LYS 13 - HD2 LYS 82 lone 1 58 - 1 - HD3 LYS 13 - HD2 LYS 82 lone 1 51 - 1 - Peak 1832 from cnoeabs.peaks (1.16, 1.46, 28.90 ppm; 3.22 A): 2 out of 15 assignments used, quality = 1.00: * HG2 LYS 40 + HD2 LYS 40 OK 100 100 - 100 - 3.0=100 HG2 LYS 40 + HD3 LYS 40 OK 100 100 - 100 - 3.0=100 HB3 LEU 3 - HD2 LYS 82 OK 36 84 - 43 - 110/1.8=6, 1.8/3699=4...(24) HB3 LEU 3 - HD2 LYS 40 OK 35 96 - 37 - 1821/3.0=5, 1799/3.5=4...(19) HB3 LEU 3 - HD3 LYS 40 OK 35 95 - 37 - 1821/3.0=5, 1799/3.5=4...(19) HG2 LYS 40 - HD2 LYS 82 OK 24 92 - 27 - 1813=3, 1.8/1824=2...(15) HB2 LEU 29 - HD2 LYS 40 OK 24 100 - 24 - 1821/3.0=4, 1787/3.5=3...(11) HB2 LEU 29 - HD3 LYS 40 OK 24 100 - 24 - 1821/3.0=4, 1787/3.5=3...(11) QG2 THR 31 - HD2 LYS 82 lone 5 58 - 9 - 3708/1.8=1, ~1382=1 HB2 LEU 29 - HD2 LYS 82 lone 5 91 - 5 - QG2 THR 34 - HD2 LYS 40 lone 4 70 - 5 - QG2 THR 34 - HD3 LYS 40 lone 4 69 - 5 - QG2 THR 31 - HD2 LYS 40 lone 3 70 - 4 - QG2 THR 31 - HD3 LYS 40 lone 3 69 - 4 - QG2 THR 34 - HD2 LYS 82 lone 0 58 - 1 - Peak 1833 from cnoeabs.peaks (1.36, 1.46, 28.90 ppm; 2.94 A): 3 out of 27 assignments used, quality = 1.00: * HG3 LYS 40 + HD2 LYS 40 OK 99 100 - 99 - 3.0=98, 1824/1.8=9...(10) HG3 LYS 40 + HD3 LYS 40 OK 99 100 - 99 - 3.0=98, 1824/1.8=9...(10) HB2 LYS 82 + HD2 LYS 82 OK 47 62 - 76 - 3.5=57, ~3668=7...(14) HB3 LEU 27 - HD2 LYS 82 OK 23 65 - 36 - 1198=4, ~10132=3...(21) HB2 LYS 82 - HD2 LYS 40 OK 23 73 - 31 - 1.8/3665=3, 2.9/3697=2...(18) HB3 LEU 27 - HD2 LYS 40 OK 23 77 - 30 - 1198=3, 1198/1.8=2...(11) HB2 LYS 82 - HD3 LYS 40 OK 23 73 - 31 - 1.8/3665=3, 2.9/3697=2...(18) HB3 LEU 27 - HD3 LYS 40 OK 23 77 - 30 - 1198=3, 1198/1.8=2...(11) HG3 LYS 40 - HD2 LYS 82 OK 20 92 - 22 - 1824=3, 1.8/1813=2...(6) HG3 LYS 68 - HD2 LYS 40 OK 18 92 - 20 - 1811/3.0=3, 1800/3.5=2...(7) HG3 LYS 68 - HD3 LYS 40 OK 18 91 - 20 - 1811/3.0=3, 1800/3.5=2...(7) HG2 LYS 39 - HD2 LYS 40 OK 16 81 - 20 - 1811/3.0=2, 1788/3.5=2...(5) HG2 LYS 39 - HD3 LYS 40 OK 16 80 - 20 - 1811/3.0=2, 1788/3.5=2...(5) HB2 LEU 70 - HD2 LYS 40 OK 14 92 - 15 - 1811/3.0=2, 1800/3.5=2...(4) HB2 LEU 70 - HD3 LYS 40 OK 14 91 - 15 - 1811/3.0=2, 1800/3.5=2...(4) HG LEU 14 - HD2 LYS 82 OK 11 82 - 13 - ~9768=2, ~9760=2...(5) HG2 LYS 39 - HD2 LYS 82 poor 9 69 - 13 - 3.5/3701=1, 3705/1.8=1 HG12 ILE 8 - HD2 LYS 40 lone 9 99 - 9 - 1811/3.0=1 HG12 ILE 8 - HD3 LYS 40 lone 9 99 - 9 - 1811/3.0=1 HG LEU 14 - HD2 LYS 40 lone 5 94 - 5 - HG LEU 14 - HD3 LYS 40 lone 5 94 - 5 - HB3 ARG 30 - HD2 LYS 40 lone 4 87 - 5 - HB3 ARG 30 - HD3 LYS 40 lone 4 86 - 5 - HG3 LYS 68 - HD2 LYS 82 lone 3 80 - 4 - HG12 ILE 8 - HD2 LYS 82 lone 1 90 - 2 - HB3 ARG 30 - HD2 LYS 82 lone 1 75 - 1 - HB2 LEU 70 - HD2 LYS 82 lone 1 80 - 1 - Peak 1834 from cnoeabs.peaks (1.46, 1.46, 28.90 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD2 LYS 40 + HD2 LYS 40 OK 100 100 - 100 HD3 LYS 40 + HD3 LYS 40 OK 100 100 - 100 HD2 LYS 82 + HD2 LYS 82 OK 89 89 - 100 Peak 1835 from cnoeabs.peaks (1.47, 1.46, 28.90 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD2 LYS 40 + HD2 LYS 40 OK 100 100 - 100 HD3 LYS 40 + HD3 LYS 40 OK 100 100 - 100 HD2 LYS 82 + HD2 LYS 82 OK 88 88 - 100 Reference assignment not found: HD3 LYS 40 - HD2 LYS 40 Peak 1836 from cnoeabs.peaks (2.77, 1.46, 28.90 ppm; 3.34 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 40 + HD2 LYS 40 OK 100 100 - 100 - 3.0=100 HE3 LYS 40 + HD2 LYS 40 OK 100 100 - 100 - 3.0=100 HE2 LYS 40 + HD3 LYS 40 OK 100 100 - 100 - 3.0=100 HE3 LYS 40 + HD3 LYS 40 OK 100 100 - 100 - 3.0=100 HE2 LYS 40 - HD2 LYS 82 OK 18 92 - 20 - ~3709=2, ~3699=2...(13) HE3 LYS 40 - HD2 LYS 82 OK 18 92 - 20 - ~3709=2, ~3699=2...(13) HB3 ASN 10 - HD2 LYS 40 lone 2 77 - 2 - HB3 ASN 10 - HD3 LYS 40 lone 2 77 - 2 - HB3 ASN 10 - HD2 LYS 82 lone 1 65 - 1 - Peak 1837 from cnoeabs.peaks (2.77, 1.46, 28.90 ppm; 3.34 A): 4 out of 9 assignments used, quality = 1.00: * HE3 LYS 40 + HD2 LYS 40 OK 100 100 - 100 - 3.0=100 HE2 LYS 40 + HD2 LYS 40 OK 100 100 - 100 - 3.0=100 HE3 LYS 40 + HD3 LYS 40 OK 100 100 - 100 - 3.0=100 HE2 LYS 40 + HD3 LYS 40 OK 100 100 - 100 - 3.0=100 HE3 LYS 40 - HD2 LYS 82 OK 18 92 - 20 - ~3709=2, ~3699=2...(13) HE2 LYS 40 - HD2 LYS 82 OK 18 92 - 20 - ~3709=2, ~3699=2...(13) HB3 ASN 10 - HD2 LYS 40 lone 2 73 - 2 - HB3 ASN 10 - HD3 LYS 40 lone 2 73 - 2 - HB3 ASN 10 - HD2 LYS 82 lone 1 62 - 1 - Peak 1838 from cnoeabs.peaks (7.82, 1.46, 28.90 ppm; 6.50 A): 4 out of 12 assignments used, quality = 1.00: * H TYR 41 + HD2 LYS 40 OK 95 100 - 95 - 1805/3.5=33, 1793/3.5=32...(23) H TYR 41 + HD3 LYS 40 OK 95 100 - 95 - 1805/3.5=33, 1793/3.5=32...(23) H SER 9 + HD2 LYS 40 OK 46 87 - 53 - 1827/3.0=12, 1816/3.0=11...(9) H SER 9 + HD3 LYS 40 OK 46 86 - 53 - 1827/3.0=12, 1816/3.0=11...(9) H ASN 26 - HD2 LYS 40 OK 31 70 - 44 - 1816/3.0=6, 1827/3.0=5...(15) H ASN 26 - HD3 LYS 40 OK 31 69 - 44 - 1816/3.0=6, 1827/3.0=5...(15) H ASN 26 - HD2 LYS 82 OK 28 58 - 49 - ~9769=10, ~9767=10...(9) H LYS 73 - HD2 LYS 40 OK 20 65 - 30 - 1827/3.0=4, 1816/3.0=4...(10) H LYS 73 - HD3 LYS 40 OK 19 65 - 29 - 1827/3.0=4, 1816/3.0=4...(10) H TYR 41 - HD2 LYS 82 OK 19 92 - 21 - 4.3/1790=3, 4.3/1802=3...(6) H SER 9 - HD2 LYS 82 lone 7 75 - 10 - 8314/2.9=3 H LYS 73 - HD2 LYS 82 lone 4 55 - 7 - Peak 1839 from cnoeabs.peaks (7.63, 1.47, 28.90 ppm; 5.74 A): 2 out of 9 assignments used, quality = 1.00: * H LYS 40 + HD3 LYS 40 OK 99 100 - 99 - 6.2=81, 1783/3.5=35...(18) H LYS 40 + HD2 LYS 40 OK 99 100 - 99 - 6.2=81, 1783/3.5=35...(18) HE22 GLN 50 - HD3 LYS 40 OK 38 94 - 40 - 1806/3.0=10, 1817/3.0=10...(5) HE22 GLN 50 - HD2 LYS 40 OK 37 94 - 40 - 1806/3.0=10, 1817/3.0=10...(5) H LYS 40 - HD2 LYS 82 OK 19 87 - 22 - 4.9/1813=3, 4.1/1790=3...(9) H GLU 48 - HD3 LYS 40 OK 17 70 - 24 - 1806/3.0=5, 1795/3.5=4...(5) H GLU 48 - HD2 LYS 40 OK 17 69 - 24 - 1806/3.0=5, 1795/3.5=4...(5) HE22 GLN 50 - HD2 LYS 82 lone 3 77 - 4 - H GLU 48 - HD2 LYS 82 lone 2 54 - 4 - Peak 1840 from cnoeabs.peaks (3.86, 1.47, 28.90 ppm; 4.32 A): 4 out of 30 assignments used, quality = 1.00: * HA LYS 40 + HD3 LYS 40 OK 92 100 - 92 - 5.2=56, 1818/3.0=17...(21) HA LYS 40 + HD2 LYS 40 OK 92 100 - 92 - 5.2=56, 1818/3.0=17...(21) HA LEU 38 + HD3 LYS 40 OK 53 94 - 57 - 1818/3.0=6, 1784/3.5=6...(26) HA LEU 38 + HD2 LYS 40 OK 53 94 - 57 - 1818/3.0=6, 1784/3.5=6...(26) HA2 GLY 100 - HD3 LYS 40 OK 44 100 - 44 - 1818/3.0=6, 1807/3.0=6...(11) HA2 GLY 100 - HD2 LYS 40 OK 44 100 - 44 - 1818/3.0=6, 1807/3.0=6...(11) HB3 SER 49 - HD3 LYS 40 OK 20 96 - 21 - 1.8/9064=2, 1818/3.0=2...(10) HB3 SER 49 - HD2 LYS 40 OK 20 95 - 21 - 1.8/9064=2, 1818/3.0=2...(10) HA LYS 40 - HD2 LYS 82 OK 14 87 - 17 - 3.8/1813=2, 3.8/1824=2...(6) HA LEU 38 - HD2 LYS 82 OK 12 77 - 16 - 3.8/10940=3, 3.0/1638=1...(5) HA LYS 12 - HD3 LYS 40 OK 12 92 - 13 - 1818/3.0=2, 1807/3.0=2...(5) HA LYS 94 - HD2 LYS 40 OK 11 100 - 11 - 1818/3.0=2, 1796/3.5=2...(4) HA LYS 94 - HD3 LYS 40 OK 11 100 - 11 - 1818/3.0=2, 1796/3.5=2...(4) HA LYS 12 - HD2 LYS 40 OK 11 91 - 12 - 1818/3.0=2, 1807/3.0=2...(5) HA GLU 43 - HD3 LYS 40 poor 10 65 - 15 - ~10610=3, 1796/3.5=2...(7) HA GLU 43 - HD2 LYS 40 poor 10 65 - 15 - ~10610=3, 1796/3.5=2...(7) HA2 GLY 101 - HD2 LYS 40 lone 9 100 - 9 - 1.8/10102=1, ~10102=1...(5) HA2 GLY 101 - HD3 LYS 40 lone 9 100 - 9 - 1.8/10102=1, 1807/3.0=1...(5) HA ALA 67 - HD3 LYS 40 lone 8 90 - 9 - 2979/3.0=2, 1807/3.0=1...(4) HA ALA 67 - HD2 LYS 40 lone 8 89 - 9 - 2979/3.0=2, 1807/3.0=1...(4) HA ALA 67 - HD2 LYS 82 lone 6 72 - 8 - ~3705=1, 2976/3.5=1, ~3672=1 HA ALA 71 - HD3 LYS 40 lone 5 61 - 8 - ~10834=1, ~7159=1 HA ALA 71 - HD2 LYS 40 lone 5 61 - 8 - ~10834=1, ~7159=1 HB3 SER 49 - HD2 LYS 82 lone 4 79 - 5 - HA2 GLY 100 - HD2 LYS 82 lone 3 87 - 4 - HA LYS 94 - HD2 LYS 82 lone 3 87 - 4 - HA2 GLY 101 - HD2 LYS 82 lone 3 87 - 3 - HA LYS 12 - HD2 LYS 82 lone 3 75 - 3 - HA GLU 43 - HD2 LYS 82 lone 1 50 - 3 - HA ALA 71 - HD2 LYS 82 lone 1 47 - 2 - Peak 1841 from cnoeabs.peaks (1.65, 1.47, 28.90 ppm; 5.08 A): 12 out of 30 assignments used, quality = 1.00: * HB2 LYS 40 + HD3 LYS 40 OK 100 100 - 100 - 3.5=100 HB2 LYS 40 + HD2 LYS 40 OK 100 100 - 100 - 3.5=100 HG2 LYS 68 + HD3 LYS 40 OK 54 99 - 54 - 1819/3.0=6, 1808/3.0=5...(25) HG2 LYS 68 + HD2 LYS 40 OK 54 99 - 54 - 1819/3.0=6, 1808/3.0=5...(25) HD3 LYS 68 + HD3 LYS 40 OK 54 99 - 54 - 1808/3.0=5, 1819/3.0=5...(24) HD3 LYS 68 + HD2 LYS 40 OK 53 99 - 54 - 1808/3.0=5, 1819/3.0=5...(24) HD2 LYS 68 + HD3 LYS 40 OK 53 98 - 54 - 1808/3.0=5, 1819/3.0=5...(24) HD2 LYS 68 + HD2 LYS 40 OK 53 98 - 54 - 1808/3.0=5, 1819/3.0=5...(24) HD3 LYS 39 + HD3 LYS 40 OK 52 99 - 53 - 1819/3.0=5, 1808/3.0=5...(28) HD3 LYS 39 + HD2 LYS 40 OK 52 99 - 53 - 1819/3.0=5, 1808/3.0=5...(27) HD2 LYS 39 + HD3 LYS 40 OK 50 96 - 52 - 1819/3.0=5, 1808/3.0=5...(26) HD2 LYS 39 + HD2 LYS 40 OK 50 95 - 52 - 1819/3.0=5, 1808/3.0=5...(25) HB2 LYS 40 - HD2 LYS 82 OK 43 87 - 50 - ~3701=4, ~3709=4...(24) HD3 LYS 39 - HD2 LYS 82 OK 37 84 - 44 - ~3712=7, ~3690=6...(16) HB3 ARG 79 - HD2 LYS 82 OK 35 79 - 44 - ~3704=10, ~3671=8...(8) HD2 LYS 39 - HD2 LYS 82 OK 34 79 - 42 - ~3712=7, ~3690=6...(17) HB ILE 76 - HD2 LYS 40 OK 17 100 - 17 - ~3427=2, 1808/3.0=2...(8) HB ILE 76 - HD3 LYS 40 OK 17 100 - 17 - ~3427=2, 1808/3.0=2...(8) HB3 LEU 6 - HD2 LYS 40 OK 13 100 - 13 - 1808/3.0=1, 1819/3.0=1...(4) HB3 LEU 6 - HD3 LYS 40 OK 13 100 - 13 - 1808/3.0=1, 1819/3.0=1...(4) HG2 LYS 68 - HD2 LYS 82 OK 12 85 - 14 - 10256/10195=2...(5) HB3 ARG 79 - HD2 LYS 40 lone 8 95 - 9 - HB3 ARG 79 - HD3 LYS 40 lone 8 96 - 8 - HD3 LYS 68 - HD2 LYS 82 lone 8 84 - 9 - HD2 LYS 68 - HD2 LYS 82 lone 8 83 - 9 - HB3 LEU 6 - HD2 LYS 82 lone 7 86 - 9 - ~9768=2, ~9762=1 HD3 LYS 73 - HD3 LYS 40 lone 5 61 - 8 - HD3 LYS 73 - HD2 LYS 40 lone 5 61 - 8 - HB ILE 76 - HD2 LYS 82 lone 4 86 - 4 - HD3 LYS 73 - HD2 LYS 82 lone 1 47 - 2 - Peak 1842 from cnoeabs.peaks (1.68, 1.47, 28.90 ppm; 4.47 A): 2 out of 69 assignments used, quality = 1.00: * HB3 LYS 40 + HD3 LYS 40 OK 100 100 - 100 - 3.5=100 HB3 LYS 40 + HD2 LYS 40 OK 100 100 - 100 - 3.5=100 HB3 LYS 53 - HD3 LYS 40 OK 44 100 - 44 - 1809/3.0=4, 1820/3.0=4...(25) HB3 LYS 53 - HD2 LYS 40 OK 44 100 - 44 - 1809/3.0=4, 1820/3.0=4...(25) HG3 LYS 20 - HD3 LYS 40 OK 37 94 - 40 - 1809/3.0=3, 1820/3.0=3...(19) HG3 LYS 20 - HD2 LYS 40 OK 37 94 - 40 - 1809/3.0=3, 1820/3.0=3...(19) HB3 LYS 40 - HD2 LYS 82 OK 37 87 - 42 - 1802=3, ~3701=3, ~3709=3...(24) HB3 ARG 91 - HD2 LYS 82 OK 34 87 - 39 - ~4029=4, ~3707=4...(22) HD2 LYS 20 - HD3 LYS 40 OK 34 98 - 34 - 1809/3.0=2, 1820/3.0=2...(11) HD2 LYS 20 - HD2 LYS 40 OK 34 98 - 34 - 1809/3.0=2, 1820/3.0=2...(11) HD3 LYS 20 - HD3 LYS 40 OK 32 94 - 34 - 1809/3.0=2, 1820/3.0=2...(11) HD3 LYS 20 - HD2 LYS 40 OK 32 94 - 34 - 2.8/897=2, 1809/3.0=2...(11) HB3 LYS 53 - HD2 LYS 82 OK 30 86 - 35 - 2411/1.8=5, ~10935=4...(17) HG12 ILE 15 - HD2 LYS 82 OK 30 75 - 40 - ~8462=15, ~8463=10...(7) HB ILE 52 - HD3 LYS 40 OK 26 84 - 31 - 1809/3.0=2, 1820/3.0=2...(14) HB ILE 52 - HD2 LYS 40 OK 26 83 - 31 - 1809/3.0=2, 1820/3.0=2...(14) HB3 ARG 91 - HD2 LYS 40 OK 24 100 - 24 - 1809/3.0=2, 1820/3.0=2...(4) HB3 ARG 91 - HD3 LYS 40 OK 24 100 - 24 - 1809/3.0=2, 1820/3.0=2...(4) HG LEU 70 - HD3 LYS 40 OK 24 77 - 32 - 1820/3.0=3, ~3168=3...(15) HG LEU 70 - HD2 LYS 40 OK 24 77 - 32 - 1820/3.0=3, ~3168=3...(15) HD3 LYS 47 - HD3 LYS 40 OK 11 100 - 11 - HD3 LYS 47 - HD2 LYS 40 OK 11 100 - 11 - HD2 LYS 47 - HD3 LYS 40 OK 11 100 - 11 - HD2 LYS 47 - HD2 LYS 40 OK 11 100 - 11 - HG12 ILE 15 - HD3 LYS 40 OK 10 92 - 11 - ~8467=1, 1820/3.0=1...(5) HG12 ILE 15 - HD2 LYS 40 OK 10 91 - 11 - ~8467=1, 1820/3.0=1...(5) HB ILE 52 - HD2 LYS 82 poor 9 67 - 14 - ~9762=2, ~9768=1...(4) HG2 PRO 86 - HD3 LYS 40 lone 8 94 - 8 - 1.8/9888=1 HG2 PRO 86 - HD2 LYS 40 lone 8 94 - 8 - 1.8/9888=1 HD3 LYS 12 - HD3 LYS 40 poor 7 70 - 11 - HD2 LYS 12 - HD3 LYS 40 poor 7 70 - 11 - HD2 LYS 12 - HD2 LYS 40 poor 7 69 - 11 - HD3 LYS 12 - HD2 LYS 40 poor 7 69 - 11 - HB2 LEU 2 - HD3 LYS 40 poor 7 65 - 11 - 3.1/12039=2, 3.1/12040=2...(4) HB2 LEU 2 - HD2 LYS 40 poor 7 65 - 11 - 3.1/12039=2, 3.1/12040=2...(4) HG3 LYS 20 - HD2 LYS 82 lone 6 77 - 7 - HD2 LYS 73 - HD3 LYS 40 lone 6 73 - 7 - HD2 LYS 73 - HD2 LYS 40 lone 6 73 - 7 - HD2 LYS 20 - HD2 LYS 82 lone 5 83 - 6 - HB2 LEU 2 - HD2 LYS 82 poor 5 50 - 10 - 3.1/12040=2, 3.1/12039=2...(4) HD3 LYS 20 - HD2 LYS 82 lone 5 77 - 6 - HG2 PRO 86 - HD2 LYS 82 lone 4 77 - 5 - ~10958=2 HD3 LYS 73 - HD3 LYS 40 lone 4 65 - 6 - HD3 LYS 73 - HD2 LYS 40 lone 4 65 - 6 - HD3 LYS 90 - HD3 LYS 40 lone 3 84 - 4 - HD3 LYS 90 - HD2 LYS 40 lone 3 83 - 4 - HD2 LYS 24 - HD3 LYS 40 lone 3 87 - 3 - HD2 LYS 24 - HD2 LYS 40 lone 3 86 - 3 - HD3 LYS 24 - HD3 LYS 40 lone 3 84 - 3 - HD3 LYS 24 - HD2 LYS 40 lone 3 83 - 3 - HD2 LYS 13 - HD2 LYS 40 lone 2 69 - 4 - HD2 LYS 13 - HD3 LYS 40 lone 2 70 - 3 - HD3 LYS 90 - HD2 LYS 82 lone 2 67 - 3 - HD3 LYS 47 - HD2 LYS 82 lone 2 86 - 2 - HD2 LYS 47 - HD2 LYS 82 lone 2 86 - 2 - HD3 LYS 13 - HD2 LYS 40 lone 2 61 - 3 - HD3 LYS 13 - HD3 LYS 40 lone 2 61 - 3 - HD3 LYS 66 - HD2 LYS 82 lone 2 50 - 4 - 3.6/3695=1 HD3 LYS 66 - HD2 LYS 40 lone 2 65 - 3 - HD3 LYS 66 - HD3 LYS 40 lone 2 65 - 3 - HG LEU 70 - HD2 LYS 82 lone 1 61 - 2 - HD3 LYS 12 - HD2 LYS 82 lone 1 54 - 2 - HD2 LYS 12 - HD2 LYS 82 lone 1 54 - 2 - HD2 LYS 73 - HD2 LYS 82 lone 1 57 - 2 - HD2 LYS 24 - HD2 LYS 82 lone 1 70 - 1 - HD3 LYS 24 - HD2 LYS 82 lone 1 67 - 1 - HD3 LYS 73 - HD2 LYS 82 lone 1 50 - 2 - HD2 LYS 13 - HD2 LYS 82 lone 1 54 - 1 - HD3 LYS 13 - HD2 LYS 82 lone 1 47 - 1 - Peak 1843 from cnoeabs.peaks (1.16, 1.47, 28.90 ppm; 3.16 A): 2 out of 15 assignments used, quality = 1.00: * HG2 LYS 40 + HD3 LYS 40 OK 100 100 - 100 - 3.0=100 HG2 LYS 40 + HD2 LYS 40 OK 100 100 - 100 - 3.0=100 HB3 LEU 3 - HD3 LYS 40 OK 34 96 - 35 - 1821/3.0=5, 1799/3.5=4...(19) HB3 LEU 3 - HD2 LYS 40 OK 34 95 - 35 - 1821/3.0=5, 1799/3.5=4...(19) HB3 LEU 3 - HD2 LYS 82 OK 32 79 - 41 - 110/1.8=6, 1.8/3699=3...(24) HB2 LEU 29 - HD2 LYS 40 OK 23 100 - 23 - 1821/3.0=4, 1787/3.5=3...(10) HB2 LEU 29 - HD3 LYS 40 OK 23 100 - 23 - 1821/3.0=4, 1787/3.5=3...(10) HG2 LYS 40 - HD2 LYS 82 OK 22 87 - 26 - 1813=3, 1.8/1824=2...(15) QG2 THR 31 - HD2 LYS 82 lone 5 54 - 9 - 3708/1.8=1, ~1382=1 HB2 LEU 29 - HD2 LYS 82 lone 4 86 - 5 - QG2 THR 34 - HD3 LYS 40 lone 3 70 - 5 - QG2 THR 34 - HD2 LYS 40 lone 3 69 - 5 - QG2 THR 31 - HD3 LYS 40 lone 3 70 - 4 - QG2 THR 31 - HD2 LYS 40 lone 3 69 - 4 - QG2 THR 34 - HD2 LYS 82 lone 0 54 - 1 - Peak 1844 from cnoeabs.peaks (1.36, 1.47, 28.90 ppm; 2.92 A): 2 out of 27 assignments used, quality = 1.00: * HG3 LYS 40 + HD3 LYS 40 OK 97 100 - 97 - 3.0=96, 1824/1.8=9...(10) HG3 LYS 40 + HD2 LYS 40 OK 97 100 - 97 - 3.0=96, 1824/1.8=9...(10) HB2 LYS 82 - HD2 LYS 82 OK 43 57 - 75 - 3.5=55, ~3668=7...(14) HB3 LEU 27 - HD3 LYS 40 OK 22 77 - 29 - 1198=3, 1198/1.8=2...(10) HB3 LEU 27 - HD2 LYS 40 OK 22 77 - 29 - 1198=3, 1198/1.8=2...(10) HB2 LYS 82 - HD3 LYS 40 OK 22 73 - 30 - 1.8/3665=3, 3.5/3709=2...(18) HB2 LYS 82 - HD2 LYS 40 OK 22 73 - 30 - 1.8/3665=3, 3.5/3709=2...(18) HB3 LEU 27 - HD2 LYS 82 OK 21 61 - 35 - 1198=4, ~10132=3...(19) HG3 LYS 40 - HD2 LYS 82 OK 19 87 - 22 - 1824=3, 1.8/1813=2...(6) HG3 LYS 68 - HD3 LYS 40 OK 18 92 - 20 - 1811/3.0=3, 1800/3.5=2...(7) HG3 LYS 68 - HD2 LYS 40 OK 18 91 - 20 - 1811/3.0=3, 1800/3.5=2...(7) HG2 LYS 39 - HD3 LYS 40 OK 15 81 - 19 - 1811/3.0=2, 1788/3.5=2...(5) HG2 LYS 39 - HD2 LYS 40 OK 15 80 - 19 - 1811/3.0=2, 1788/3.5=2...(5) HB2 LEU 70 - HD3 LYS 40 OK 14 92 - 15 - 1811/3.0=2, 1800/3.5=2...(4) HB2 LEU 70 - HD2 LYS 40 OK 14 91 - 15 - 1811/3.0=2, 1800/3.5=2...(4) HG LEU 14 - HD2 LYS 82 poor 10 77 - 13 - ~9768=2, ~9760=2...(5) HG12 ILE 8 - HD3 LYS 40 lone 8 99 - 8 - 1811/3.0=1 HG12 ILE 8 - HD2 LYS 40 lone 8 99 - 8 - 1811/3.0=1 HG2 LYS 39 - HD2 LYS 82 poor 8 64 - 13 - 3705/1.8=1, 3.5/3701=1 HG LEU 14 - HD3 LYS 40 lone 5 94 - 5 - HG LEU 14 - HD2 LYS 40 lone 5 94 - 5 - HB3 ARG 30 - HD3 LYS 40 lone 4 87 - 4 - HB3 ARG 30 - HD2 LYS 40 lone 4 86 - 4 - HG3 LYS 68 - HD2 LYS 82 lone 3 75 - 4 - HG12 ILE 8 - HD2 LYS 82 lone 1 85 - 2 - HB3 ARG 30 - HD2 LYS 82 lone 1 70 - 1 - HB2 LEU 70 - HD2 LYS 82 lone 1 75 - 1 - Peak 1845 from cnoeabs.peaks (1.46, 1.47, 28.90 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD3 LYS 40 + HD3 LYS 40 OK 100 100 - 100 HD2 LYS 40 + HD2 LYS 40 OK 100 100 - 100 HD2 LYS 82 + HD2 LYS 82 OK 84 84 - 100 Reference assignment not found: HD2 LYS 40 - HD3 LYS 40 Peak 1846 from cnoeabs.peaks (1.47, 1.47, 28.90 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD3 LYS 40 + HD3 LYS 40 OK 100 100 - 100 HD2 LYS 40 + HD2 LYS 40 OK 100 100 - 100 HD2 LYS 82 + HD2 LYS 82 OK 83 83 - 100 Peak 1847 from cnoeabs.peaks (2.77, 1.47, 28.90 ppm; 3.30 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 40 + HD3 LYS 40 OK 100 100 - 100 - 3.0=100 HE3 LYS 40 + HD3 LYS 40 OK 100 100 - 100 - 3.0=100 HE2 LYS 40 + HD2 LYS 40 OK 100 100 - 100 - 3.0=100 HE3 LYS 40 + HD2 LYS 40 OK 100 100 - 100 - 3.0=100 HE2 LYS 40 - HD2 LYS 82 OK 17 87 - 19 - ~3699=2, ~3709=2...(11) HE3 LYS 40 - HD2 LYS 82 OK 17 87 - 19 - ~3699=2, ~3709=2...(11) HB3 ASN 10 - HD3 LYS 40 lone 2 77 - 2 - HB3 ASN 10 - HD2 LYS 40 lone 2 77 - 2 - HB3 ASN 10 - HD2 LYS 82 lone 1 61 - 1 - Peak 1848 from cnoeabs.peaks (2.77, 1.47, 28.90 ppm; 3.30 A): 4 out of 9 assignments used, quality = 1.00: * HE3 LYS 40 + HD3 LYS 40 OK 100 100 - 100 - 3.0=100 HE2 LYS 40 + HD3 LYS 40 OK 100 100 - 100 - 3.0=100 HE3 LYS 40 + HD2 LYS 40 OK 100 100 - 100 - 3.0=100 HE2 LYS 40 + HD2 LYS 40 OK 100 100 - 100 - 3.0=100 HE3 LYS 40 - HD2 LYS 82 OK 17 87 - 19 - ~3699=2, ~3709=2...(11) HE2 LYS 40 - HD2 LYS 82 OK 17 87 - 19 - ~3699=2, ~3709=2...(11) HB3 ASN 10 - HD3 LYS 40 lone 2 73 - 2 - HB3 ASN 10 - HD2 LYS 40 lone 2 73 - 2 - HB3 ASN 10 - HD2 LYS 82 lone 1 57 - 1 - Peak 1849 from cnoeabs.peaks (7.82, 1.47, 28.90 ppm; 6.50 A): 4 out of 12 assignments used, quality = 1.00: * H TYR 41 + HD3 LYS 40 OK 95 100 - 95 - 1805/3.5=33, 1793/3.5=32...(23) H TYR 41 + HD2 LYS 40 OK 95 100 - 95 - 1805/3.5=33, 1793/3.5=32...(23) H SER 9 + HD3 LYS 40 OK 46 87 - 53 - 1827/3.0=12, 1816/3.0=11...(9) H SER 9 + HD2 LYS 40 OK 46 86 - 53 - 1827/3.0=12, 1816/3.0=11...(9) H ASN 26 - HD3 LYS 40 OK 31 70 - 44 - 1816/3.0=6, 1827/3.0=5...(14) H ASN 26 - HD2 LYS 40 OK 30 69 - 44 - 1816/3.0=6, 1827/3.0=5...(15) H ASN 26 - HD2 LYS 82 OK 26 54 - 48 - ~9769=10, ~9767=10...(9) H LYS 73 - HD3 LYS 40 OK 19 65 - 29 - 1827/3.0=4, 1816/3.0=4...(10) H LYS 73 - HD2 LYS 40 OK 19 65 - 29 - 1827/3.0=4, 1816/3.0=4...(10) H TYR 41 - HD2 LYS 82 OK 18 87 - 21 - 4.3/1790=3, 4.3/1802=3...(6) H SER 9 - HD2 LYS 82 lone 7 70 - 9 - 8314/2.9=3 H LYS 73 - HD2 LYS 82 lone 3 50 - 7 - Peak 1852 from cnoeabs.peaks (1.65, 2.77, 41.80 ppm; 5.09 A): 2 out of 20 assignments used, quality = 1.00: * HB2 LYS 40 + HE2 LYS 40 OK 100 100 - 100 - 4.8=100 HB2 LYS 40 + HE3 LYS 40 OK 100 100 - 100 - 4.8=100 HG2 LYS 68 - HE2 LYS 40 OK 31 99 - 31 - 1819/4.0=5, 1808/4.0=5...(14) HG2 LYS 68 - HE3 LYS 40 OK 31 99 - 31 - 1819/4.0=5, 1808/4.0=5...(14) HD3 LYS 39 - HE2 LYS 40 OK 30 99 - 30 - 1819/4.0=5, 1808/4.0=4...(13) HD3 LYS 39 - HE3 LYS 40 OK 30 99 - 30 - 1819/4.0=5, 1808/4.0=4...(13) HD3 LYS 68 - HE2 LYS 40 OK 28 99 - 29 - 1808/4.0=5, 1819/4.0=5...(12) HD3 LYS 68 - HE3 LYS 40 OK 28 99 - 29 - 1808/4.0=5, 1819/4.0=5...(12) HD2 LYS 68 - HE2 LYS 40 OK 28 98 - 29 - 1808/4.0=5, 1819/4.0=4...(12) HD2 LYS 68 - HE3 LYS 40 OK 28 98 - 29 - 1808/4.0=5, 1819/4.0=4...(12) HD2 LYS 39 - HE2 LYS 40 OK 28 96 - 29 - 1819/4.0=4, 1808/4.0=4...(13) HD2 LYS 39 - HE3 LYS 40 OK 27 95 - 29 - 1819/4.0=4, 1808/4.0=4...(13) HB ILE 76 - HE2 LYS 40 lone 9 100 - 9 - 1808/4.0=1, 1819/4.0=1...(4) HB ILE 76 - HE3 LYS 40 lone 9 100 - 9 - 1808/4.0=1, 1819/4.0=1...(4) HB3 LEU 6 - HE2 LYS 40 lone 7 100 - 7 - 1808/4.0=1, 1819/4.0=1 HB3 LEU 6 - HE3 LYS 40 lone 7 100 - 7 - 1808/4.0=1, 1819/4.0=1 HB3 ARG 79 - HE2 LYS 40 lone 4 96 - 4 - HB3 ARG 79 - HE3 LYS 40 lone 4 95 - 4 - HD3 LYS 73 - HE2 LYS 40 lone 3 61 - 5 - HD3 LYS 73 - HE3 LYS 40 lone 3 61 - 5 - Peak 1853 from cnoeabs.peaks (1.68, 2.77, 41.80 ppm; 4.83 A): 2 out of 46 assignments used, quality = 1.00: * HB3 LYS 40 + HE2 LYS 40 OK 100 100 - 100 - 4.8=100 HB3 LYS 40 + HE3 LYS 40 OK 100 100 - 100 - 4.8=100 HB3 LYS 53 - HE2 LYS 40 OK 26 100 - 26 - 1809/4.0=4, 1820/4.0=3...(12) HB3 LYS 53 - HE3 LYS 40 OK 26 100 - 26 - 1809/4.0=4, 1820/4.0=3...(12) HG3 LYS 20 - HE2 LYS 40 OK 20 94 - 21 - 1820/4.0=3, 1809/4.0=3...(8) HG3 LYS 20 - HE3 LYS 40 OK 20 94 - 21 - 1820/4.0=3, 1809/4.0=3...(8) HD2 LYS 20 - HE2 LYS 40 OK 17 98 - 17 - 1820/4.0=2, 1809/4.0=2...(6) HD2 LYS 20 - HE3 LYS 40 OK 17 98 - 17 - 1820/4.0=2, 1809/4.0=2...(6) HD3 LYS 20 - HE2 LYS 40 OK 16 94 - 17 - 1820/4.0=2, 1809/4.0=2...(6) HD3 LYS 20 - HE3 LYS 40 OK 16 94 - 17 - 1820/4.0=2, 1809/4.0=2...(6) HB3 ARG 91 - HE2 LYS 40 OK 13 100 - 13 - 1820/4.0=2, 1809/4.0=2 HB3 ARG 91 - HE3 LYS 40 OK 13 100 - 13 - 1820/4.0=2, 1809/4.0=2 HG LEU 70 - HE2 LYS 40 OK 13 77 - 17 - 1820/4.0=3, 1809/4.0=2...(6) HG LEU 70 - HE3 LYS 40 OK 13 77 - 17 - 1820/4.0=3, 1809/4.0=2...(6) HB ILE 52 - HE2 LYS 40 OK 12 84 - 15 - 1809/4.0=2, 1820/4.0=2...(6) HB ILE 52 - HE3 LYS 40 OK 12 83 - 15 - 1809/4.0=2, 1820/4.0=2...(6) HD3 LYS 47 - HE2 LYS 40 lone 7 100 - 7 - HD3 LYS 47 - HE3 LYS 40 lone 7 100 - 7 - HD2 LYS 47 - HE2 LYS 40 lone 7 100 - 7 - HD2 LYS 47 - HE3 LYS 40 lone 7 100 - 7 - HG12 ILE 15 - HE2 LYS 40 lone 6 92 - 7 - 1820/4.0=1, 1809/4.0=1 HG12 ILE 15 - HE3 LYS 40 lone 6 91 - 7 - 1820/4.0=1, 1809/4.0=1 HG2 PRO 86 - HE2 LYS 40 lone 5 94 - 5 - HG2 PRO 86 - HE3 LYS 40 lone 5 94 - 5 - HD3 LYS 12 - HE2 LYS 40 lone 4 70 - 6 - HD2 LYS 12 - HE2 LYS 40 lone 4 70 - 6 - HD3 LYS 12 - HE3 LYS 40 lone 4 69 - 6 - HD2 LYS 12 - HE3 LYS 40 lone 4 69 - 6 - HD2 LYS 73 - HE2 LYS 40 lone 4 73 - 5 - HD2 LYS 73 - HE3 LYS 40 lone 4 73 - 5 - HB2 LEU 2 - HE2 LYS 40 lone 3 65 - 5 - ~12039=1 HB2 LEU 2 - HE3 LYS 40 lone 3 65 - 5 - ~12039=1 HD3 LYS 73 - HE2 LYS 40 lone 3 65 - 4 - HD3 LYS 73 - HE3 LYS 40 lone 3 65 - 4 - HD2 LYS 24 - HE2 LYS 40 lone 2 87 - 3 - HD2 LYS 24 - HE3 LYS 40 lone 2 86 - 3 - HD3 LYS 90 - HE2 LYS 40 lone 2 84 - 3 - HD3 LYS 90 - HE3 LYS 40 lone 2 83 - 3 - HD3 LYS 24 - HE2 LYS 40 lone 2 84 - 3 - HD3 LYS 24 - HE3 LYS 40 lone 2 83 - 3 - HD2 LYS 13 - HE2 LYS 40 lone 2 70 - 3 - HD2 LYS 13 - HE3 LYS 40 lone 2 69 - 3 - HD3 LYS 13 - HE2 LYS 40 lone 1 61 - 2 - HD3 LYS 13 - HE3 LYS 40 lone 1 61 - 2 - HD3 LYS 66 - HE2 LYS 40 lone 1 65 - 2 - HD3 LYS 66 - HE3 LYS 40 lone 1 65 - 2 - Peak 1854 from cnoeabs.peaks (1.16, 2.77, 41.80 ppm; 3.89 A): 2 out of 10 assignments used, quality = 1.00: * HG2 LYS 40 + HE2 LYS 40 OK 97 100 - 97 - 4.0=95, 1.8/1855=10...(11) HG2 LYS 40 + HE3 LYS 40 OK 97 100 - 97 - 4.0=95, 1.8/1855=10...(11) HB3 LEU 3 - HE2 LYS 40 OK 25 96 - 27 - 1821/4.0=5, 1799/4.8=5...(10) HB3 LEU 3 - HE3 LYS 40 OK 25 95 - 27 - 1821/4.0=5, 1799/4.8=5...(10) HB2 LEU 29 - HE2 LYS 40 OK 19 100 - 19 - 1821/4.0=4, 1787/4.8=3...(8) HB2 LEU 29 - HE3 LYS 40 OK 19 100 - 19 - 1821/4.0=4, 1787/4.8=3...(8) QG2 THR 34 - HE2 LYS 40 lone 3 70 - 4 - QG2 THR 34 - HE3 LYS 40 lone 3 69 - 4 - QG2 THR 31 - HE2 LYS 40 lone 2 70 - 3 - QG2 THR 31 - HE3 LYS 40 lone 2 69 - 3 - Peak 1855 from cnoeabs.peaks (1.36, 2.77, 41.80 ppm; 3.93 A): 2 out of 18 assignments used, quality = 1.00: * HG3 LYS 40 + HE2 LYS 40 OK 99 100 - 99 - 4.0=98, 1.8/1854=13...(9) HG3 LYS 40 + HE3 LYS 40 OK 99 100 - 99 - 4.0=98, 1.8/1854=13...(9) HG3 LYS 68 - HE2 LYS 40 OK 18 92 - 20 - 1811/4.0=3, 1800/4.8=3...(12) HG3 LYS 68 - HE3 LYS 40 OK 18 91 - 20 - 1811/4.0=3, 1800/4.8=3...(12) HB2 LYS 82 - HE2 LYS 40 OK 16 73 - 22 - ~3695=3, ~3665=2...(13) HB2 LYS 82 - HE3 LYS 40 OK 16 73 - 22 - ~3695=3, ~3665=2...(13) HG2 LYS 39 - HE2 LYS 40 OK 15 81 - 18 - 1811/4.0=2, 1712/7.1=2...(9) HB3 LEU 27 - HE2 LYS 40 OK 14 77 - 19 - 1811/4.0=2, 1198/3.0=2...(9) HG2 LYS 39 - HE3 LYS 40 OK 14 80 - 18 - 1811/4.0=2, 1712/7.1=2...(9) HB3 LEU 27 - HE3 LYS 40 OK 14 77 - 19 - 1811/4.0=2, 1198/3.0=2...(9) HB2 LEU 70 - HE2 LYS 40 OK 12 92 - 13 - 1800/4.8=2, 1788/4.8=2...(7) HB2 LEU 70 - HE3 LYS 40 OK 12 91 - 13 - 1800/4.8=2, 1788/4.8=2...(7) HG12 ILE 8 - HE2 LYS 40 lone 8 99 - 8 - 1811/4.0=1, 1788/4.8=1 HG12 ILE 8 - HE3 LYS 40 lone 8 99 - 8 - 1811/4.0=1, 1788/4.8=1 HG LEU 14 - HE2 LYS 40 lone 5 94 - 5 - HG LEU 14 - HE3 LYS 40 lone 5 94 - 5 - HB3 ARG 30 - HE2 LYS 40 lone 4 87 - 5 - HB3 ARG 30 - HE3 LYS 40 lone 4 86 - 5 - Peak 1856 from cnoeabs.peaks (1.46, 2.77, 41.80 ppm; 3.22 A): 4 out of 28 assignments used, quality = 1.00: * HD2 LYS 40 + HE2 LYS 40 OK 100 100 - 100 - 3.0=100 HD3 LYS 40 + HE2 LYS 40 OK 100 100 - 100 - 3.0=100 HD2 LYS 40 + HE3 LYS 40 OK 100 100 - 100 - 3.0=100 HD3 LYS 40 + HE3 LYS 40 OK 100 100 - 100 - 3.0=100 HD2 LYS 82 - HE2 LYS 40 OK 18 99 - 19 - 1836=2, ~3699=2, ~3709=2...(10) HD2 LYS 82 - HE3 LYS 40 OK 18 99 - 19 - 1837=2, ~3699=2, ~3709=2...(10) HB2 LEU 38 - HE2 LYS 40 OK 14 94 - 15 - 1823/4.0=1, 1812/4.0=1...(7) HB2 LEU 38 - HE3 LYS 40 OK 14 94 - 15 - 1823/4.0=1, 1812/4.0=1...(7) HB2 LEU 27 - HE2 LYS 40 OK 13 97 - 13 - 10482/4.0=2, ~1198=1, 1191/4.0=1 HB2 LEU 27 - HE3 LYS 40 OK 13 97 - 13 - 10482/4.0=2, ~1198=1, 1191/4.0=1 HG LEU 38 - HE2 LYS 40 OK 12 99 - 12 - ~10940=2, 1824/4.0=1...(5) HG LEU 38 - HE3 LYS 40 OK 12 99 - 12 - ~10940=2, 1824/4.0=1...(5) HG3 LYS 53 - HE2 LYS 40 lone 10 99 - 10 - 1813/4.0=1 HG3 LYS 53 - HE3 LYS 40 lone 10 99 - 10 - 1813/4.0=1 HG2 LYS 53 - HE2 LYS 40 lone 10 100 - 10 - 1813/4.0=1 HG2 LYS 53 - HE3 LYS 40 lone 10 100 - 10 - 1813/4.0=1 HG2 LYS 20 - HE2 LYS 40 lone 8 97 - 8 - HG2 LYS 20 - HE3 LYS 40 lone 8 97 - 8 - HD2 LYS 53 - HE2 LYS 40 lone 6 99 - 6 - HD2 LYS 53 - HE3 LYS 40 lone 6 99 - 6 - HG13 ILE 52 - HE2 LYS 40 lone 5 97 - 5 - HG13 ILE 52 - HE3 LYS 40 lone 5 97 - 5 - HG3 ARG 91 - HE2 LYS 40 lone 4 87 - 5 - HG3 ARG 91 - HE3 LYS 40 lone 4 86 - 5 - HG LEU 64 - HE2 LYS 40 lone 2 73 - 2 - HG LEU 64 - HE3 LYS 40 lone 2 73 - 2 - HG2 LYS 12 - HE2 LYS 40 lone 1 61 - 2 - HG2 LYS 12 - HE3 LYS 40 lone 1 61 - 2 - Peak 1857 from cnoeabs.peaks (1.47, 2.77, 41.80 ppm; 3.22 A): 4 out of 26 assignments used, quality = 1.00: * HD3 LYS 40 + HE2 LYS 40 OK 100 100 - 100 - 3.0=100 HD2 LYS 40 + HE2 LYS 40 OK 100 100 - 100 - 3.0=100 HD3 LYS 40 + HE3 LYS 40 OK 100 100 - 100 - 3.0=100 HD2 LYS 40 + HE3 LYS 40 OK 100 100 - 100 - 3.0=100 HD2 LYS 82 - HE2 LYS 40 OK 18 98 - 19 - 1836=2, ~3699=2, ~3709=2...(10) HD2 LYS 82 - HE3 LYS 40 OK 18 98 - 19 - 1837=2, ~3699=2, ~3709=2...(10) HB2 LEU 38 - HE2 LYS 40 OK 13 92 - 15 - 1823/4.0=1, 1812/4.0=1...(7) HB2 LEU 38 - HE3 LYS 40 OK 13 91 - 15 - 1823/4.0=1, 1812/4.0=1...(7) HB2 LEU 27 - HE2 LYS 40 OK 13 96 - 13 - 10482/4.0=2, ~1198=1, 1191/4.0=1 HB2 LEU 27 - HE3 LYS 40 OK 13 95 - 13 - 10482/4.0=2, ~1198=1, 1191/4.0=1 HG LEU 38 - HE2 LYS 40 OK 12 98 - 12 - ~10940=2, 1824/4.0=1...(5) HG LEU 38 - HE3 LYS 40 OK 12 98 - 12 - ~10940=2, 1824/4.0=1...(5) HG3 LYS 53 - HE2 LYS 40 lone 10 100 - 10 - 1813/4.0=1 HG3 LYS 53 - HE3 LYS 40 lone 10 100 - 10 - 1813/4.0=1 HG2 LYS 53 - HE2 LYS 40 lone 10 100 - 10 - 1813/4.0=1 HG2 LYS 53 - HE3 LYS 40 lone 10 100 - 10 - 1813/4.0=1 HG2 LYS 20 - HE2 LYS 40 lone 8 96 - 8 - HG2 LYS 20 - HE3 LYS 40 lone 8 95 - 8 - HD2 LYS 53 - HE2 LYS 40 lone 6 98 - 6 - HD2 LYS 53 - HE3 LYS 40 lone 6 98 - 6 - HG13 ILE 52 - HE2 LYS 40 lone 5 96 - 5 - HG13 ILE 52 - HE3 LYS 40 lone 5 95 - 5 - HG3 ARG 91 - HE2 LYS 40 lone 4 84 - 5 - HG3 ARG 91 - HE3 LYS 40 lone 4 83 - 5 - HG LEU 64 - HE2 LYS 40 lone 2 77 - 2 - HG LEU 64 - HE3 LYS 40 lone 2 77 - 2 - Peak 1858 from cnoeabs.peaks (2.77, 2.77, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 40 + HE2 LYS 40 OK 100 100 - 100 HE3 LYS 40 + HE3 LYS 40 OK 100 100 - 100 Peak 1859 from cnoeabs.peaks (2.77, 2.77, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 40 + HE2 LYS 40 OK 100 100 - 100 HE3 LYS 40 + HE3 LYS 40 OK 100 100 - 100 Reference assignment not found: HE3 LYS 40 - HE2 LYS 40 Peak 1860 from cnoeabs.peaks (7.82, 2.77, 41.80 ppm; 5.90 A): 2 out of 8 assignments used, quality = 0.97: * H TYR 41 + HE2 LYS 40 OK 83 100 - 84 - 1805/4.8=27, 1793/4.8=26...(13) H TYR 41 + HE3 LYS 40 OK 83 100 - 84 - 1805/4.8=27, 1793/4.8=26...(13) H SER 9 - HE2 LYS 40 OK 36 87 - 42 - 1827/4.0=9, 1816/4.0=9...(9) H SER 9 - HE3 LYS 40 OK 36 86 - 42 - 1827/4.0=9, 1816/4.0=9...(8) H ASN 26 - HE2 LYS 40 OK 20 70 - 28 - 1816/4.0=4, 1827/4.0=4...(10) H ASN 26 - HE3 LYS 40 OK 19 69 - 28 - 1816/4.0=4, 1827/4.0=4...(10) H LYS 73 - HE2 LYS 40 OK 13 65 - 20 - 1827/4.0=3, 1816/4.0=3...(8) H LYS 73 - HE3 LYS 40 OK 13 65 - 20 - 1827/4.0=3, 1816/4.0=3...(8) Peak 1863 from cnoeabs.peaks (1.65, 2.77, 41.80 ppm; 5.09 A): 2 out of 20 assignments used, quality = 1.00: * HB2 LYS 40 + HE3 LYS 40 OK 100 100 - 100 - 4.8=100 HB2 LYS 40 + HE2 LYS 40 OK 100 100 - 100 - 4.8=100 HG2 LYS 68 - HE3 LYS 40 OK 31 99 - 31 - 1819/4.0=5, 1808/4.0=5...(14) HG2 LYS 68 - HE2 LYS 40 OK 31 99 - 31 - 1819/4.0=5, 1808/4.0=5...(14) HD3 LYS 39 - HE3 LYS 40 OK 30 99 - 30 - 1819/4.0=5, 1808/4.0=4...(13) HD3 LYS 39 - HE2 LYS 40 OK 30 99 - 30 - 1819/4.0=5, 1808/4.0=4...(13) HD3 LYS 68 - HE3 LYS 40 OK 28 99 - 29 - 1808/4.0=5, 1819/4.0=5...(12) HD3 LYS 68 - HE2 LYS 40 OK 28 99 - 29 - 1808/4.0=5, 1819/4.0=5...(12) HD2 LYS 68 - HE3 LYS 40 OK 28 98 - 29 - 1808/4.0=5, 1819/4.0=4...(12) HD2 LYS 68 - HE2 LYS 40 OK 28 98 - 29 - 1808/4.0=5, 1819/4.0=4...(12) HD2 LYS 39 - HE3 LYS 40 OK 28 96 - 29 - 1819/4.0=4, 1808/4.0=4...(13) HD2 LYS 39 - HE2 LYS 40 OK 27 95 - 29 - 1819/4.0=4, 1808/4.0=4...(13) HB ILE 76 - HE3 LYS 40 lone 9 100 - 9 - 1808/4.0=1, 1819/4.0=1...(4) HB ILE 76 - HE2 LYS 40 lone 9 100 - 9 - 1808/4.0=1, 1819/4.0=1...(4) HB3 LEU 6 - HE3 LYS 40 lone 7 100 - 7 - 1808/4.0=1, 1819/4.0=1 HB3 LEU 6 - HE2 LYS 40 lone 7 100 - 7 - 1808/4.0=1, 1819/4.0=1 HB3 ARG 79 - HE3 LYS 40 lone 4 96 - 4 - HB3 ARG 79 - HE2 LYS 40 lone 4 95 - 4 - HD3 LYS 73 - HE3 LYS 40 lone 3 61 - 5 - HD3 LYS 73 - HE2 LYS 40 lone 3 61 - 5 - Peak 1864 from cnoeabs.peaks (1.68, 2.77, 41.80 ppm; 4.83 A): 2 out of 46 assignments used, quality = 1.00: * HB3 LYS 40 + HE3 LYS 40 OK 100 100 - 100 - 4.8=100 HB3 LYS 40 + HE2 LYS 40 OK 100 100 - 100 - 4.8=100 HB3 LYS 53 - HE3 LYS 40 OK 26 100 - 26 - 1809/4.0=4, 1820/4.0=3...(12) HB3 LYS 53 - HE2 LYS 40 OK 26 100 - 26 - 1809/4.0=4, 1820/4.0=3...(12) HG3 LYS 20 - HE3 LYS 40 OK 20 94 - 21 - 1820/4.0=3, 1809/4.0=3...(8) HG3 LYS 20 - HE2 LYS 40 OK 20 94 - 21 - 1820/4.0=3, 1809/4.0=3...(8) HD2 LYS 20 - HE3 LYS 40 OK 17 98 - 17 - 1820/4.0=2, 1809/4.0=2...(6) HD2 LYS 20 - HE2 LYS 40 OK 17 98 - 17 - 1820/4.0=2, 1809/4.0=2...(6) HD3 LYS 20 - HE3 LYS 40 OK 16 94 - 17 - 1820/4.0=2, 1809/4.0=2...(6) HD3 LYS 20 - HE2 LYS 40 OK 16 94 - 17 - 1820/4.0=2, 1809/4.0=2...(6) HB3 ARG 91 - HE3 LYS 40 OK 13 100 - 13 - 1820/4.0=2, 1809/4.0=2 HB3 ARG 91 - HE2 LYS 40 OK 13 100 - 13 - 1820/4.0=2, 1809/4.0=2 HG LEU 70 - HE3 LYS 40 OK 13 77 - 17 - 1820/4.0=3, 1809/4.0=2...(6) HG LEU 70 - HE2 LYS 40 OK 13 77 - 17 - 1820/4.0=3, 1809/4.0=2...(6) HB ILE 52 - HE3 LYS 40 OK 12 84 - 15 - 1809/4.0=2, 1820/4.0=2...(6) HB ILE 52 - HE2 LYS 40 OK 12 83 - 15 - 1809/4.0=2, 1820/4.0=2...(6) HD3 LYS 47 - HE3 LYS 40 lone 7 100 - 7 - HD3 LYS 47 - HE2 LYS 40 lone 7 100 - 7 - HD2 LYS 47 - HE3 LYS 40 lone 7 100 - 7 - HD2 LYS 47 - HE2 LYS 40 lone 7 100 - 7 - HG12 ILE 15 - HE3 LYS 40 lone 6 92 - 7 - 1820/4.0=1, 1809/4.0=1 HG12 ILE 15 - HE2 LYS 40 lone 6 91 - 7 - 1820/4.0=1, 1809/4.0=1 HG2 PRO 86 - HE3 LYS 40 lone 5 94 - 5 - HG2 PRO 86 - HE2 LYS 40 lone 5 94 - 5 - HD3 LYS 12 - HE3 LYS 40 lone 4 70 - 6 - HD2 LYS 12 - HE3 LYS 40 lone 4 70 - 6 - HD3 LYS 12 - HE2 LYS 40 lone 4 69 - 6 - HD2 LYS 12 - HE2 LYS 40 lone 4 69 - 6 - HD2 LYS 73 - HE3 LYS 40 lone 4 73 - 5 - HD2 LYS 73 - HE2 LYS 40 lone 4 73 - 5 - HB2 LEU 2 - HE3 LYS 40 lone 3 65 - 5 - ~12039=1 HB2 LEU 2 - HE2 LYS 40 lone 3 65 - 5 - ~12039=1 HD3 LYS 73 - HE3 LYS 40 lone 3 65 - 4 - HD3 LYS 73 - HE2 LYS 40 lone 3 65 - 4 - HD2 LYS 24 - HE3 LYS 40 lone 2 87 - 3 - HD2 LYS 24 - HE2 LYS 40 lone 2 86 - 3 - HD3 LYS 90 - HE3 LYS 40 lone 2 84 - 3 - HD3 LYS 90 - HE2 LYS 40 lone 2 83 - 3 - HD3 LYS 24 - HE3 LYS 40 lone 2 84 - 3 - HD3 LYS 24 - HE2 LYS 40 lone 2 83 - 3 - HD2 LYS 13 - HE3 LYS 40 lone 2 70 - 3 - HD2 LYS 13 - HE2 LYS 40 lone 2 69 - 3 - HD3 LYS 13 - HE3 LYS 40 lone 1 61 - 2 - HD3 LYS 13 - HE2 LYS 40 lone 1 61 - 2 - HD3 LYS 66 - HE3 LYS 40 lone 1 65 - 2 - HD3 LYS 66 - HE2 LYS 40 lone 1 65 - 2 - Peak 1865 from cnoeabs.peaks (1.16, 2.77, 41.80 ppm; 3.89 A): 2 out of 10 assignments used, quality = 1.00: * HG2 LYS 40 + HE3 LYS 40 OK 97 100 - 97 - 4.0=95, 1.8/1866=10...(11) HG2 LYS 40 + HE2 LYS 40 OK 97 100 - 97 - 4.0=95, 1.8/1866=10...(11) HB3 LEU 3 - HE3 LYS 40 OK 25 96 - 27 - 1821/4.0=5, 1799/4.8=5...(10) HB3 LEU 3 - HE2 LYS 40 OK 25 95 - 27 - 1821/4.0=5, 1799/4.8=5...(10) HB2 LEU 29 - HE3 LYS 40 OK 19 100 - 19 - 1821/4.0=4, 1787/4.8=3...(8) HB2 LEU 29 - HE2 LYS 40 OK 19 100 - 19 - 1821/4.0=4, 1787/4.8=3...(8) QG2 THR 34 - HE3 LYS 40 lone 3 70 - 4 - QG2 THR 34 - HE2 LYS 40 lone 3 69 - 4 - QG2 THR 31 - HE3 LYS 40 lone 2 70 - 3 - QG2 THR 31 - HE2 LYS 40 lone 2 69 - 3 - Peak 1866 from cnoeabs.peaks (1.36, 2.77, 41.80 ppm; 3.93 A): 2 out of 18 assignments used, quality = 1.00: * HG3 LYS 40 + HE3 LYS 40 OK 99 100 - 99 - 4.0=98, 1.8/1865=13...(9) HG3 LYS 40 + HE2 LYS 40 OK 99 100 - 99 - 4.0=98, 1.8/1865=13...(9) HG3 LYS 68 - HE3 LYS 40 OK 18 92 - 20 - 1811/4.0=3, 1800/4.8=3...(12) HG3 LYS 68 - HE2 LYS 40 OK 18 91 - 20 - 1811/4.0=3, 1800/4.8=3...(12) HB2 LYS 82 - HE3 LYS 40 OK 16 73 - 22 - ~3695=3, ~3665=2...(13) HB2 LYS 82 - HE2 LYS 40 OK 16 73 - 22 - ~3695=3, ~3665=2...(13) HG2 LYS 39 - HE3 LYS 40 OK 15 81 - 18 - 1811/4.0=2, 1712/7.1=2...(9) HB3 LEU 27 - HE3 LYS 40 OK 14 77 - 19 - 1811/4.0=2, 1198/3.0=2...(9) HG2 LYS 39 - HE2 LYS 40 OK 14 80 - 18 - 1811/4.0=2, 1712/7.1=2...(9) HB3 LEU 27 - HE2 LYS 40 OK 14 77 - 19 - 1811/4.0=2, 1198/3.0=2...(9) HB2 LEU 70 - HE3 LYS 40 OK 12 92 - 13 - 1800/4.8=2, 1788/4.8=2...(7) HB2 LEU 70 - HE2 LYS 40 OK 12 91 - 13 - 1800/4.8=2, 1788/4.8=2...(7) HG12 ILE 8 - HE3 LYS 40 lone 8 99 - 8 - 1811/4.0=1, 1788/4.8=1 HG12 ILE 8 - HE2 LYS 40 lone 8 99 - 8 - 1811/4.0=1, 1788/4.8=1 HG LEU 14 - HE3 LYS 40 lone 5 94 - 5 - HG LEU 14 - HE2 LYS 40 lone 5 94 - 5 - HB3 ARG 30 - HE3 LYS 40 lone 4 87 - 5 - HB3 ARG 30 - HE2 LYS 40 lone 4 86 - 5 - Peak 1867 from cnoeabs.peaks (1.46, 2.77, 41.80 ppm; 3.22 A): 4 out of 28 assignments used, quality = 1.00: * HD2 LYS 40 + HE3 LYS 40 OK 100 100 - 100 - 3.0=100 HD3 LYS 40 + HE3 LYS 40 OK 100 100 - 100 - 3.0=100 HD2 LYS 40 + HE2 LYS 40 OK 100 100 - 100 - 3.0=100 HD3 LYS 40 + HE2 LYS 40 OK 100 100 - 100 - 3.0=100 HD2 LYS 82 - HE3 LYS 40 OK 18 99 - 19 - 1837=2, ~3699=2, ~3709=2...(10) HD2 LYS 82 - HE2 LYS 40 OK 18 99 - 19 - 1836=2, ~3699=2, ~3709=2...(10) HB2 LEU 38 - HE3 LYS 40 OK 14 94 - 15 - 1823/4.0=1, 1812/4.0=1...(7) HB2 LEU 38 - HE2 LYS 40 OK 14 94 - 15 - 1823/4.0=1, 1812/4.0=1...(7) HB2 LEU 27 - HE3 LYS 40 OK 13 97 - 13 - 10482/4.0=2, ~1198=1, 1191/4.0=1 HB2 LEU 27 - HE2 LYS 40 OK 13 97 - 13 - 10482/4.0=2, ~1198=1, 1191/4.0=1 HG LEU 38 - HE3 LYS 40 OK 12 99 - 12 - ~10940=2, 1824/4.0=1...(5) HG LEU 38 - HE2 LYS 40 OK 12 99 - 12 - ~10940=2, 1824/4.0=1...(5) HG3 LYS 53 - HE3 LYS 40 lone 10 99 - 10 - 1813/4.0=1 HG3 LYS 53 - HE2 LYS 40 lone 10 99 - 10 - 1813/4.0=1 HG2 LYS 53 - HE3 LYS 40 lone 10 100 - 10 - 1813/4.0=1 HG2 LYS 53 - HE2 LYS 40 lone 10 100 - 10 - 1813/4.0=1 HG2 LYS 20 - HE3 LYS 40 lone 8 97 - 8 - HG2 LYS 20 - HE2 LYS 40 lone 8 97 - 8 - HD2 LYS 53 - HE3 LYS 40 lone 6 99 - 6 - HD2 LYS 53 - HE2 LYS 40 lone 6 99 - 6 - HG13 ILE 52 - HE3 LYS 40 lone 5 97 - 5 - HG13 ILE 52 - HE2 LYS 40 lone 5 97 - 5 - HG3 ARG 91 - HE3 LYS 40 lone 4 87 - 5 - HG3 ARG 91 - HE2 LYS 40 lone 4 86 - 5 - HG LEU 64 - HE3 LYS 40 lone 2 73 - 2 - HG LEU 64 - HE2 LYS 40 lone 2 73 - 2 - HG2 LYS 12 - HE3 LYS 40 lone 1 61 - 2 - HG2 LYS 12 - HE2 LYS 40 lone 1 61 - 2 - Peak 1868 from cnoeabs.peaks (1.47, 2.77, 41.80 ppm; 3.22 A): 4 out of 26 assignments used, quality = 1.00: * HD3 LYS 40 + HE3 LYS 40 OK 100 100 - 100 - 3.0=100 HD2 LYS 40 + HE3 LYS 40 OK 100 100 - 100 - 3.0=100 HD3 LYS 40 + HE2 LYS 40 OK 100 100 - 100 - 3.0=100 HD2 LYS 40 + HE2 LYS 40 OK 100 100 - 100 - 3.0=100 HD2 LYS 82 - HE3 LYS 40 OK 18 98 - 19 - 1837=2, ~3699=2, ~3709=2...(10) HD2 LYS 82 - HE2 LYS 40 OK 18 98 - 19 - 1836=2, ~3699=2, ~3709=2...(10) HB2 LEU 38 - HE3 LYS 40 OK 13 92 - 15 - 1823/4.0=1, 1812/4.0=1...(7) HB2 LEU 38 - HE2 LYS 40 OK 13 91 - 15 - 1823/4.0=1, 1812/4.0=1...(7) HB2 LEU 27 - HE3 LYS 40 OK 13 96 - 13 - 10482/4.0=2, ~1198=1, 1191/4.0=1 HB2 LEU 27 - HE2 LYS 40 OK 13 95 - 13 - 10482/4.0=2, ~1198=1, 1191/4.0=1 HG LEU 38 - HE3 LYS 40 OK 12 98 - 12 - ~10940=2, 1824/4.0=1...(5) HG LEU 38 - HE2 LYS 40 OK 12 98 - 12 - ~10940=2, 1824/4.0=1...(5) HG3 LYS 53 - HE3 LYS 40 lone 10 100 - 10 - 1813/4.0=1 HG3 LYS 53 - HE2 LYS 40 lone 10 100 - 10 - 1813/4.0=1 HG2 LYS 53 - HE3 LYS 40 lone 10 100 - 10 - 1813/4.0=1 HG2 LYS 53 - HE2 LYS 40 lone 10 100 - 10 - 1813/4.0=1 HG2 LYS 20 - HE3 LYS 40 lone 8 96 - 8 - HG2 LYS 20 - HE2 LYS 40 lone 8 95 - 8 - HD2 LYS 53 - HE3 LYS 40 lone 6 98 - 6 - HD2 LYS 53 - HE2 LYS 40 lone 6 98 - 6 - HG13 ILE 52 - HE3 LYS 40 lone 5 96 - 5 - HG13 ILE 52 - HE2 LYS 40 lone 5 95 - 5 - HG3 ARG 91 - HE3 LYS 40 lone 4 84 - 5 - HG3 ARG 91 - HE2 LYS 40 lone 4 83 - 5 - HG LEU 64 - HE3 LYS 40 lone 2 77 - 2 - HG LEU 64 - HE2 LYS 40 lone 2 77 - 2 - Peak 1869 from cnoeabs.peaks (2.77, 2.77, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 40 + HE3 LYS 40 OK 100 100 - 100 HE2 LYS 40 + HE2 LYS 40 OK 100 100 - 100 Reference assignment not found: HE2 LYS 40 - HE3 LYS 40 Peak 1870 from cnoeabs.peaks (2.77, 2.77, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 40 + HE3 LYS 40 OK 100 100 - 100 HE2 LYS 40 + HE2 LYS 40 OK 100 100 - 100 Peak 1871 from cnoeabs.peaks (7.82, 2.77, 41.80 ppm; 5.90 A): 2 out of 8 assignments used, quality = 0.97: * H TYR 41 + HE3 LYS 40 OK 84 100 - 84 - 1805/4.8=27, 1793/4.8=26...(13) H TYR 41 + HE2 LYS 40 OK 84 100 - 84 - 1805/4.8=27, 1793/4.8=26...(13) H SER 9 - HE3 LYS 40 OK 36 87 - 42 - 1827/4.0=9, 1816/4.0=9...(8) H SER 9 - HE2 LYS 40 OK 36 86 - 42 - 1827/4.0=9, 1816/4.0=9...(8) H ASN 26 - HE3 LYS 40 OK 20 70 - 28 - 1816/4.0=4, 1827/4.0=4...(10) H ASN 26 - HE2 LYS 40 OK 19 69 - 28 - 1816/4.0=4, 1827/4.0=4...(10) H LYS 73 - HE3 LYS 40 OK 13 65 - 20 - 1827/4.0=3, 1816/4.0=3...(8) H LYS 73 - HE2 LYS 40 OK 13 65 - 20 - 1827/4.0=3, 1816/4.0=3...(8) Peak 1872 from cnoeabs.peaks (7.82, 3.93, 59.76 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 41 + HA TYR 41 OK 100 100 - 100 - 3.0=100 H SER 9 - HA TYR 41 OK 36 87 - 41 - 6110=9, 1883/3.0=6...(12) H LYS 73 - HA TYR 41 lone 6 65 - 9 - 1778/4.8=1, 6666/3.6=1 H ASN 26 - HA TYR 41 lone 6 70 - 8 - 1778/4.8=2 Peak 1873 from cnoeabs.peaks (3.93, 3.93, 59.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 41 + HA TYR 41 OK 100 100 - 100 Peak 1874 from cnoeabs.peaks (2.31, 3.93, 59.76 ppm; 3.62 A): 1 out of 7 assignments used, quality = 1.00: * HB2 TYR 41 + HA TYR 41 OK 100 100 - 100 - 3.0=100 HG3 GLU 43 - HA TYR 41 OK 32 96 - 34 - 5.0/6684=7, 6655/3.0=6...(13) HG2 GLU 63 - HA TYR 41 OK 11 61 - 19 - 1.8/2794=3, 3.0/2773=3...(7) HD3 ARG 81 - HA TYR 41 OK 11 98 - 11 - 1893/3.0=2, 6655/3.0=1 HB2 GLU 48 - HA TYR 41 OK 11 73 - 14 - 4.0/1879=4, 6655/3.0=2...(4) HG2 GLU 48 - HA TYR 41 lone 6 61 - 9 - 4.9/1879=3 HG3 GLU 16 - HA TYR 41 lone 4 73 - 5 - Peak 1875 from cnoeabs.peaks (2.64, 3.93, 59.76 ppm; 3.81 A): 1 out of 4 assignments used, quality = 1.00: * HB3 TYR 41 + HA TYR 41 OK 100 100 - 100 - 3.0=100 HG3 MET 74 - HA TYR 41 OK 28 77 - 37 - 3.4/1881=8, 6669/3.6=5...(12) HB3 ASP 65 - HA TYR 41 OK 16 100 - 16 - 6656/3.0=3, 1886/3.0=2...(5) HB3 ASP 77 - HA TYR 41 OK 14 100 - 13 - 6669/3.6=3, 6656/3.0=3 Peak 1876 from cnoeabs.peaks (6.83, 3.93, 59.76 ppm; 3.20 A): 2 out of 2 assignments used, quality = 0.88: * HD1 TYR 41 + HA TYR 41 OK 67 100 - 67 - 4.2=43, 6657/3.0=11...(13) HD2 TYR 41 + HA TYR 41 OK 65 98 - 66 - 4.3=42, 6657/3.0=11...(13) Peak 1878 from cnoeabs.peaks (7.96, 3.93, 59.76 ppm; 4.66 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 42 + HA TYR 41 OK 100 100 - 100 - 3.6=100 H LEU 70 + HA TYR 41 OK 46 100 - 46 - 6659/3.0=12, 1897/3.0=8...(12) Peak 1879 from cnoeabs.peaks (7.60, 3.93, 59.76 ppm; 4.20 A): 2 out of 3 assignments used, quality = 0.83: * H GLU 44 + HA TYR 41 OK 77 100 - 78 - 6679/3.6=20, 6701=18...(21) H GLU 48 + HA TYR 41 OK 23 81 - 28 - 6679/3.6=4, 4.6/6758=4...(10) HD22 ASN 10 - HA TYR 41 lone 9 99 - 9 - 5.6/6116=3, 6679/3.6=2 Peak 1880 from cnoeabs.peaks (2.00, 3.93, 59.76 ppm; 3.42 A): 3 out of 7 assignments used, quality = 0.83: * HB2 GLU 44 + HA TYR 41 OK 46 100 - 46 - 3.9/1879=11, 2001=7...(13) HB3 GLU 44 + HA TYR 41 OK 46 100 - 46 - 3.9/1879=11, 2001=7...(13) QE MET 74 + HA TYR 41 OK 41 100 - 41 - 10280/3.0=11...(10) HB2 GLU 35 - HA TYR 41 lone 9 97 - 10 - 10590/3.6=3, 4.7/10583=2 HB2 GLU 62 - HA TYR 41 lone 5 77 - 6 - 4.0/10741=2, 4.6/7019=1 HB3 GLU 17 - HA TYR 41 lone 4 98 - 4 - 10590/3.6=1 HB3 MET 1 - HA TYR 41 lone 3 100 - 3 - Peak 1881 from cnoeabs.peaks (2.00, 3.93, 59.76 ppm; 3.42 A): 3 out of 7 assignments used, quality = 0.83: HB2 GLU 44 + HA TYR 41 OK 46 100 - 46 - 3.9/1879=11, 2001=7...(13) * HB3 GLU 44 + HA TYR 41 OK 46 100 - 46 - 3.9/1879=11, 2001=7...(13) QE MET 74 + HA TYR 41 OK 41 100 - 41 - 10280/3.0=11...(10) HB2 GLU 35 - HA TYR 41 lone 9 97 - 10 - 10590/3.6=3, 4.7/10583=2 HB2 GLU 62 - HA TYR 41 lone 5 77 - 6 - 4.0/10741=2, 4.6/7019=1 HB3 GLU 17 - HA TYR 41 lone 4 98 - 4 - 10590/3.6=1 HB3 MET 1 - HA TYR 41 lone 3 100 - 3 - Peak 1882 from cnoeabs.peaks (3.87, 2.31, 36.90 ppm; 4.31 A): 5 out of 12 assignments used, quality = 0.94: * HA LEU 38 + HB2 TYR 41 OK 67 100 - 67 - 1625/1.8=19, 1624=18...(9) HA LYS 40 + HB2 TYR 41 OK 54 94 - 58 - 3.6/1883=23, 2.9/8891=15...(10) HA GLU 43 + HB2 TYR 41 OK 52 94 - 56 - 2.9/6696=11, 3.6/6709=9...(12) HA LYS 94 + HB2 TYR 41 OK 13 96 - 14 - 6665/4.1=2, ~10584=2...(4) HA GLU 35 + HB2 TYR 41 OK 12 84 - 14 - 6662/4.1=2, 1890/1.8=2...(7) HA2 GLY 100 - HB2 TYR 41 lone 9 96 - 9 - 6665/4.1=2, 6645/4.0=2 HB3 SER 49 - HB2 TYR 41 poor 7 70 - 10 - 4.3/10630=2, 6665/4.1=1...(4) HA2 GLY 101 - HB2 TYR 41 lone 5 96 - 5 - HA ARG 91 - HB2 TYR 41 lone 4 81 - 5 - HA LYS 12 - HB2 TYR 41 lone 3 61 - 5 - 6645/4.0=1, 6665/4.1=1 HA3 GLY 101 - HB2 TYR 41 lone 2 61 - 3 - HB2 SER 102 - HB2 TYR 41 lone 1 57 - 1 - Peak 1883 from cnoeabs.peaks (7.82, 2.31, 36.90 ppm; 3.78 A): 1 out of 4 assignments used, quality = 0.95: * H TYR 41 + HB2 TYR 41 OK 95 100 - 95 - 4.0=85, 6656/1.8=30...(11) H SER 9 - HB2 TYR 41 OK 26 87 - 30 - 1891/1.8=7, 1872/3.0=7...(8) H ASN 26 - HB2 TYR 41 lone 4 70 - 6 - 1891/1.8=1, 1872/3.0=1 H LYS 73 - HB2 TYR 41 lone 4 65 - 6 - 1891/1.8=1, 1872/3.0=1 Peak 1884 from cnoeabs.peaks (3.93, 2.31, 36.90 ppm; 3.66 A): 1 out of 4 assignments used, quality = 1.00: * HA TYR 41 + HB2 TYR 41 OK 100 100 - 100 - 3.0=100 HA GLU 44 - HB2 TYR 41 OK 41 92 - 45 - 1892/1.8=8, 3.0/6709=7...(16) HB3 SER 9 - HB2 TYR 41 OK 21 100 - 21 - 1892/1.8=4, 4.0/1883=4...(6) HA GLU 63 - HB2 TYR 41 OK 16 84 - 19 - 1892/1.8=4, ~10749=2...(8) Peak 1885 from cnoeabs.peaks (2.31, 2.31, 36.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 41 + HB2 TYR 41 OK 100 100 - 100 Peak 1886 from cnoeabs.peaks (2.64, 2.31, 36.90 ppm; 3.00 A): 1 out of 4 assignments used, quality = 1.00: * HB3 TYR 41 + HB2 TYR 41 OK 100 100 - 100 - 1.8=100 HG3 MET 74 - HB2 TYR 41 OK 20 77 - 26 - 3.4/10280=8, 1875/3.0=3...(10) HB3 ASP 77 - HB2 TYR 41 lone 8 100 - 8 - 1875/3.0=2, 6669/4.1=2 HB3 ASP 65 - HB2 TYR 41 lone 8 100 - 8 - 1875/3.0=2, 6656/4.0=1 Peak 1887 from cnoeabs.peaks (6.83, 2.31, 36.90 ppm; 3.66 A): 2 out of 2 assignments used, quality = 1.00: * HD1 TYR 41 + HB2 TYR 41 OK 98 100 - 99 - 3.7=97, 1876/3.0=16...(14) HD2 TYR 41 + HB2 TYR 41 OK 97 98 - 99 - 3.7=97, 1876/3.0=16...(14) Peak 1889 from cnoeabs.peaks (7.96, 2.31, 36.90 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HB2 TYR 41 OK 100 100 - 100 - 4.1=100 H LEU 70 - HB2 TYR 41 OK 31 100 - 31 - 1897/1.8=9, 1878/3.0=9...(8) Peak 1890 from cnoeabs.peaks (3.87, 2.64, 36.90 ppm; 4.41 A): 4 out of 12 assignments used, quality = 0.94: * HA LEU 38 + HB3 TYR 41 OK 74 100 - 74 - 1625=25, 3.8/8875=20...(9) HA LYS 40 + HB3 TYR 41 OK 55 94 - 59 - 3.6/6656=26, 2.9/8892=13...(9) HA GLU 43 + HB3 TYR 41 OK 45 94 - 48 - 1882/1.8=9, ~6684=9...(10) HA LYS 94 + HB3 TYR 41 OK 12 96 - 13 - 6665/4.1=3, ~10584=2...(4) HA GLU 35 - HB3 TYR 41 poor 10 84 - 11 - 6662/4.1=2, 1882/1.8=2...(6) HA2 GLY 100 - HB3 TYR 41 lone 9 96 - 9 - 6665/4.1=2, 6645/4.0=2 HB3 SER 49 - HB3 TYR 41 lone 6 70 - 9 - 6665/4.1=1, 1882/1.8=1 HA2 GLY 101 - HB3 TYR 41 lone 5 96 - 5 - 6665/4.1=1 HA ARG 91 - HB3 TYR 41 lone 4 81 - 5 - HA LYS 12 - HB3 TYR 41 lone 3 61 - 6 - 6645/4.0=1, 6665/4.1=1 HA3 GLY 101 - HB3 TYR 41 lone 2 61 - 3 - HB2 SER 102 - HB3 TYR 41 lone 1 57 - 1 - Peak 1891 from cnoeabs.peaks (7.82, 2.64, 36.90 ppm; 3.75 A): 1 out of 4 assignments used, quality = 0.94: * H TYR 41 + HB3 TYR 41 OK 94 100 - 94 - 4.0=83, 1883/1.8=27...(10) H SER 9 - HB3 TYR 41 OK 24 87 - 28 - 1883/1.8=7, 1872/3.0=7...(8) H LYS 73 - HB3 TYR 41 lone 4 65 - 7 - 4.7/7229=1, 1872/3.0=1...(4) H ASN 26 - HB3 TYR 41 lone 4 70 - 6 - 1883/1.8=1, 1872/3.0=1 Peak 1892 from cnoeabs.peaks (3.93, 2.64, 36.90 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: * HA TYR 41 + HB3 TYR 41 OK 100 100 - 100 - 3.0=100 HA GLU 44 - HB3 TYR 41 OK 43 92 - 47 - 1884/1.8=9, ~1879=8...(15) HB3 SER 9 - HB3 TYR 41 OK 23 100 - 23 - 1884/1.8=5, 4.0/1891=4...(8) HA GLU 63 - HB3 TYR 41 OK 19 84 - 23 - 1884/1.8=4, 2.9/10749=3...(11) Peak 1893 from cnoeabs.peaks (2.31, 2.64, 36.90 ppm; 3.07 A): 1 out of 7 assignments used, quality = 1.00: * HB2 TYR 41 + HB3 TYR 41 OK 100 100 - 100 - 1.8=100 HG3 GLU 43 - HB3 TYR 41 OK 20 96 - 21 - 1874/3.0=4, 6668/4.1=3...(8) HD3 ARG 81 - HB3 TYR 41 lone 9 98 - 9 - 1874/3.0=1, ~3626=1 HG2 GLU 63 - HB3 TYR 41 poor 8 61 - 12 - 3.8/1892=1, 4.8/10749=1...(4) HB2 GLU 48 - HB3 TYR 41 lone 7 73 - 9 - 4.0/8892=1, 1874/3.0=1 HG2 GLU 48 - HB3 TYR 41 lone 3 61 - 5 - 4.9/8892=1 HG3 GLU 16 - HB3 TYR 41 lone 2 73 - 3 - Peak 1894 from cnoeabs.peaks (2.64, 2.64, 36.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 41 + HB3 TYR 41 OK 100 100 - 100 Peak 1895 from cnoeabs.peaks (6.83, 2.64, 36.90 ppm; 3.74 A): 2 out of 2 assignments used, quality = 1.00: * HD1 TYR 41 + HB3 TYR 41 OK 100 100 - 100 - 3.7=100 HD2 TYR 41 + HB3 TYR 41 OK 98 98 - 100 - 3.7=100 Peak 1897 from cnoeabs.peaks (7.96, 2.64, 36.90 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HB3 TYR 41 OK 100 100 - 100 - 4.1=100 H LEU 70 - HB3 TYR 41 OK 30 100 - 30 - 1889/1.8=9, 1878/3.0=8...(7) Peak 1898 from cnoeabs.peaks (7.96, 3.70, 58.24 ppm; 3.77 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 42 + HA LEU 42 OK 100 100 - 100 - 3.0=100 H LEU 70 + HA LEU 42 OK 51 100 - 51 - 1910/3.0=10, 6685/3.6=9...(12) Peak 1899 from cnoeabs.peaks (3.70, 3.70, 58.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + HA LEU 42 OK 100 100 - 100 Peak 1900 from cnoeabs.peaks (1.81, 3.70, 58.24 ppm; 3.76 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 42 + HA LEU 42 OK 100 100 - 100 - 3.0=100 HB2 LYS 39 + HA LEU 42 OK 67 94 - 72 - ~6663=11, ~1909=10...(20) HB2 LYS 90 - HA LEU 42 OK 39 99 - 40 - 3928/3.0=6, 2.8/1901=4...(18) HB ILE 93 - HA LEU 42 OK 39 99 - 39 - 1921/3.0=4, 6673/3.0=4...(17) HB2 GLU 88 - HA LEU 42 OK 11 100 - 11 - 6687/3.6=2, 1921/3.0=1...(4) HG2 ARG 46 - HA LEU 42 OK 10 65 - 15 - 4.9/6737=6, 3.0/10343=2...(4) HB2 GLU 104 - HA LEU 42 lone 7 100 - 7 - HB3 LEU 57 - HA LEU 42 lone 4 70 - 6 - Peak 1901 from cnoeabs.peaks (1.30, 3.70, 58.24 ppm; 3.68 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 42 + HA LEU 42 OK 100 100 - 100 - 3.0=100 HG LEU 3 - HA LEU 42 OK 35 99 - 36 - 2.1/8094=6, 1913/3.0=5...(13) HG2 ARG 30 - HA LEU 42 OK 33 94 - 35 - 1913/3.0=6, 1938/4.0=5...(12) HG2 LYS 90 - HA LEU 42 OK 28 73 - 39 - 1913/3.0=5, 2.8/1900=4...(18) Peak 1902 from cnoeabs.peaks (1.90, 3.70, 58.24 ppm; 3.86 A): 2 out of 9 assignments used, quality = 0.97: * HG LEU 42 + HA LEU 42 OK 94 100 - 94 - 4.3=74, 2.1/1944=26...(14) HB VAL 54 + HA LEU 42 OK 56 90 - 62 - 2.1/10657=29, ~10653=12...(12) HB2 GLU 43 - HA LEU 42 OK 42 92 - 46 - 1962/3.6=14, 4.4/6703=9...(13) HB3 LEU 14 - HA LEU 42 OK 31 98 - 32 - 1914/3.0=4, 1939/4.0=4...(12) HB ILE 8 - HA LEU 42 OK 21 100 - 21 - 6675/3.0=3, 2.9/10592=3...(9) HB3 LYS 33 - HA LEU 42 OK 11 61 - 17 - 3.0/10601=12, 4.4/8762=2 HB2 LYS 20 - HA LEU 42 lone 10 97 - 10 - 1923/3.0=2, 1914/3.0=1...(6) HB2 ARG 19 - HA LEU 42 lone 9 99 - 8 - 2501/10657=1 HB3 LYS 13 - HA LEU 42 poor 7 65 - 10 - ~8913=1, 4.0/10602=1 Peak 1903 from cnoeabs.peaks (0.69, 3.70, 58.24 ppm; 3.80 A): 1 out of 6 assignments used, quality = 0.96: * QD1 LEU 42 + HA LEU 42 OK 96 100 - 96 - 4.0=84, 2.1/1944=26...(15) QD1 ILE 52 - HA LEU 42 OK 43 98 - 44 - 1924/3.0=6, 1915/3.0=6...(17) QD2 LEU 6 - HA LEU 42 OK 39 100 - 39 - 6676/3.0=7, 1924/3.0=6...(12) QD1 LEU 14 - HA LEU 42 OK 27 90 - 30 - 1915/3.0=4, 1924/3.0=4...(12) QG2 VAL 58 - HA LEU 42 poor 9 84 - 11 - 1915/3.0=2, 1924/3.0=2...(6) QD1 ILE 56 - HA LEU 42 lone 3 61 - 5 - Peak 1904 from cnoeabs.peaks (0.77, 3.70, 58.24 ppm; 3.01 A): 6 out of 9 assignments used, quality = 0.95: * QD2 LEU 42 + HA LEU 42 OK 72 100 - 72 - 4.0=42, 2.1/1936=12...(13) QG1 VAL 54 + HA LEU 42 OK 56 99 - 57 - 10657=29, 10653/3.0=13...(13) QD1 LEU 6 + HA LEU 42 OK 23 99 - 24 - 2.1/1903=4, 6677/3.0=3...(10) QD1 ILE 93 + HA LEU 42 OK 21 100 - 21 - 4164/3.0=3, 3.2/1900=2...(10) QG2 ILE 52 + HA LEU 42 OK 19 87 - 23 - 3.1/1903=3, 1925/3.0=2...(11) QG2 ILE 93 + HA LEU 42 OK 15 73 - 20 - 2.1/1900=3, 4.3/1906=2...(9) QD1 ILE 15 - HA LEU 42 poor 10 97 - 10 - 5.0/10602=1 HG13 ILE 15 - HA LEU 42 lone 8 87 - 9 - 4.6/10602=2 QD1 LEU 27 - HA LEU 42 lone 7 100 - 6 - 10137/8094=1 Peak 1905 from cnoeabs.peaks (8.19, 3.70, 58.24 ppm; 4.48 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 43 + HA LEU 42 OK 100 100 - 100 - 3.6=100 H ASP 36 - HA LEU 42 OK 42 96 - 44 - 6678/3.0=8, 1917/3.0=8...(13) H LYS 68 - HA LEU 42 OK 38 97 - 39 - 7116/3.0=12, 1917/3.0=7...(9) H PHE 96 - HA LEU 42 lone 4 61 - 7 - Peak 1906 from cnoeabs.peaks (8.26, 3.70, 58.24 ppm; 4.35 A): 3 out of 5 assignments used, quality = 0.92: * H PHE 45 + HA LEU 42 OK 75 100 - 75 - 6719=22, 3.7/1907=14...(16) H ALA 71 + HA LEU 42 OK 51 100 - 51 - 7157/3.0=11, 6719=11...(14) H LYS 94 + HA LEU 42 OK 39 99 - 39 - 6698/3.6=10, 10414/4.0=6...(12) H GLU 23 - HA LEU 42 lone 4 73 - 6 - 10414/4.0=1 H LEU 27 - HA LEU 42 lone 2 61 - 4 - Peak 1907 from cnoeabs.peaks (2.98, 3.70, 58.24 ppm; 3.92 A): 3 out of 7 assignments used, quality = 0.80: * HB2 PHE 45 + HA LEU 42 OK 63 100 - 64 - 1.8/2048=13, 2039=13...(15) HB3 PHE 45 + HA LEU 42 OK 40 73 - 55 - 1.8/2039=13, 3.7/8928=12...(11) HB2 SER 9 + HA LEU 42 OK 10 96 - 11 - ~6667=2, 10656/10657=1 HB3 ASP 11 - HA LEU 42 lone 8 90 - 8 - 8367/4.0=1, 8365/4.3=1 HE3 LYS 47 - HA LEU 42 lone 5 94 - 5 - HE2 LYS 47 - HA LEU 42 lone 5 94 - 5 - HE3 LYS 12 - HA LEU 42 lone 2 65 - 3 - Peak 1908 from cnoeabs.peaks (2.97, 3.70, 58.24 ppm; 3.89 A): 2 out of 10 assignments used, quality = 0.76: * HB3 PHE 45 + HA LEU 42 OK 59 100 - 59 - 2048=13, 1.8/2039=12...(12) HB2 PHE 45 + HA LEU 42 OK 42 73 - 58 - 1.8/2048=13, 3.7/8928=12...(14) HE2 LYS 13 - HA LEU 42 lone 5 97 - 5 - HE2 LYS 47 - HA LEU 42 lone 5 97 - 5 - HE3 LYS 47 - HA LEU 42 lone 5 97 - 5 - HE3 LYS 13 - HA LEU 42 lone 5 94 - 5 - HE3 LYS 12 - HA LEU 42 lone 4 100 - 4 - HE2 LYS 24 - HA LEU 42 lone 3 99 - 3 - HE3 LYS 24 - HA LEU 42 lone 3 99 - 3 - HE2 LYS 73 - HA LEU 42 lone 1 73 - 1 - Peak 1909 from cnoeabs.peaks (3.61, 1.81, 40.51 ppm; 4.51 A): 1 out of 1 assignment used, quality = 0.95: * HA LYS 39 + HB2 LEU 42 OK 95 100 - 95 - 1918/1.8=36, 6663/4.0=30...(27) Peak 1910 from cnoeabs.peaks (7.96, 1.81, 40.51 ppm; 3.98 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 4.0=100 H LEU 70 + HB2 LEU 42 OK 56 100 - 56 - 1919/1.8=13, 1935/3.1=11...(9) Peak 1911 from cnoeabs.peaks (3.70, 1.81, 40.51 ppm; 4.15 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 3.0=100 HA GLU 37 + HB2 LEU 42 OK 57 99 - 57 - 1920/1.8=11, 1944/3.1=8...(15) HA3 GLY 100 - HB2 LEU 42 OK 39 90 - 43 - 1920/1.8=8, 1944/3.1=7...(13) Peak 1912 from cnoeabs.peaks (1.81, 1.81, 40.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 42 + HB2 LEU 42 OK 100 100 - 100 Peak 1913 from cnoeabs.peaks (1.30, 1.81, 40.51 ppm; 3.28 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 1.8=100 HG2 ARG 30 - HB2 LEU 42 OK 36 94 - 38 - 1938/3.1=5, 1946/3.1=5...(15) HG2 LYS 90 - HB2 LEU 42 OK 34 73 - 46 - 1.8/3959=4, 2.9/3970=4...(25) HG LEU 3 - HB2 LEU 42 OK 32 99 - 32 - 1901/3.0=4, ~136=4...(12) Peak 1914 from cnoeabs.peaks (1.90, 1.81, 40.51 ppm; 3.87 A): 2 out of 9 assignments used, quality = 1.00: * HG LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 3.0=100 HB VAL 54 + HB2 LEU 42 OK 59 90 - 66 - ~10653=17, ~10657=15...(19) HB3 LEU 14 - HB2 LEU 42 OK 40 98 - 41 - 1939/3.1=5, 1923/1.8=5...(20) HB2 GLU 43 - HB2 LEU 42 OK 38 92 - 41 - 1962/4.6=11, 6675/4.0=5...(13) HB ILE 8 - HB2 LEU 42 OK 21 100 - 21 - 1923/1.8=2, 6675/4.0=2...(9) HB2 LYS 20 - HB2 LEU 42 OK 12 97 - 13 - 1923/1.8=2, 1947/3.1=1...(4) HB2 ARG 19 - HB2 LEU 42 lone 9 99 - 9 - 1923/1.8=1, 1939/3.1=1 HB3 LYS 13 - HB2 LEU 42 poor 8 65 - 12 - 3.0/8915=2, ~8918=1, ~8387=1 HB3 LYS 33 - HB2 LEU 42 poor 7 61 - 11 - ~10601=7, 1902/3.0=1 Peak 1915 from cnoeabs.peaks (0.69, 1.81, 40.51 ppm; 3.67 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 3.1=100 QD1 ILE 52 + HB2 LEU 42 OK 55 98 - 56 - ~10599=10, 1924/1.8=8...(21) QD2 LEU 6 + HB2 LEU 42 OK 48 100 - 48 - 1924/1.8=7, 1948/3.1=6...(18) QD1 LEU 14 - HB2 LEU 42 OK 34 90 - 38 - 1924/1.8=5, 1932/3.0=4...(17) QG2 VAL 58 - HB2 LEU 42 OK 15 84 - 17 - 1924/1.8=2, 1932/3.0=2...(8) QD1 ILE 56 - HB2 LEU 42 lone 4 61 - 6 - Peak 1916 from cnoeabs.peaks (0.77, 1.81, 40.51 ppm; 3.81 A): 5 out of 9 assignments used, quality = 1.00: * QD2 LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 3.1=100 QG1 VAL 54 + HB2 LEU 42 OK 71 99 - 72 - 10657/3.0=27...(17) QD1 ILE 93 + HB2 LEU 42 OK 49 100 - 49 - 4164=7, 2.1/4148=4...(21) QD1 LEU 6 + HB2 LEU 42 OK 48 99 - 48 - 230/3.1=7, 2.1/1915=7...(18) QG2 ILE 52 + HB2 LEU 42 OK 45 87 - 52 - ~10599=7, 3.1/1915=6...(25) QG2 ILE 93 - HB2 LEU 42 OK 36 73 - 49 - 3.1/4164=5, 4140=4...(24) QD1 ILE 15 - HB2 LEU 42 OK 18 97 - 18 - 1925/1.8=2, 1904/3.0=2...(6) HG13 ILE 15 - HB2 LEU 42 OK 14 87 - 16 - 1904/3.0=1, 1925/1.8=1...(5) QD1 LEU 27 - HB2 LEU 42 OK 13 100 - 12 - 1925/1.8=2, 1904/3.0=1...(4) Peak 1917 from cnoeabs.peaks (8.19, 1.81, 40.51 ppm; 4.61 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 43 + HB2 LEU 42 OK 100 100 - 100 - 4.6=99, 6688/1.8=29...(17) H ASP 36 + HB2 LEU 42 OK 50 96 - 53 - 1926/1.8=8, 3.0/10537=8...(14) H LYS 68 - HB2 LEU 42 OK 44 97 - 45 - 7116/4.0=11, 1926/1.8=8...(8) H PHE 96 - HB2 LEU 42 lone 5 61 - 8 - 1950/3.1=1 Peak 1918 from cnoeabs.peaks (3.61, 1.30, 40.51 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.96: * HA LYS 39 + HB3 LEU 42 OK 96 100 - 96 - 1909/1.8=42, 1679=36...(19) Peak 1919 from cnoeabs.peaks (7.96, 1.30, 40.51 ppm; 4.17 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 42 + HB3 LEU 42 OK 100 100 - 100 - 4.0=100 H LEU 70 + HB3 LEU 42 OK 58 100 - 58 - 1910/1.8=14, 1935/3.1=12...(9) Peak 1920 from cnoeabs.peaks (3.70, 1.30, 40.51 ppm; 4.06 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 42 + HB3 LEU 42 OK 100 100 - 100 - 3.0=100 HA GLU 37 + HB3 LEU 42 OK 51 99 - 52 - 1911/1.8=11, 1944/3.1=8...(13) HA3 GLY 100 - HB3 LEU 42 OK 38 90 - 42 - 1911/1.8=7, 1944/3.1=6...(15) Peak 1921 from cnoeabs.peaks (1.81, 1.30, 40.51 ppm; 3.26 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 42 + HB3 LEU 42 OK 100 100 - 100 - 1.8=100 HB2 LYS 39 + HB3 LEU 42 OK 60 94 - 64 - 3.0/1918=15, ~1909=11...(19) HB2 LYS 90 - HB3 LEU 42 OK 41 99 - 42 - 3928=4, 1945/3.1=3...(26) HB ILE 93 - HB3 LEU 42 OK 34 99 - 35 - 1945/3.1=3, 1937/3.1=3...(15) HB2 GLU 88 - HB3 LEU 42 lone 10 100 - 10 - 1937/3.1=1 HB2 GLU 104 - HB3 LEU 42 lone 7 100 - 6 - HG2 ARG 46 - HB3 LEU 42 lone 5 65 - 8 - 6687/4.6=1 HB3 LEU 57 - HB3 LEU 42 lone 4 70 - 6 - Peak 1922 from cnoeabs.peaks (1.30, 1.30, 40.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 42 + HB3 LEU 42 OK 100 100 - 100 Peak 1923 from cnoeabs.peaks (1.90, 1.30, 40.51 ppm; 3.97 A): 2 out of 9 assignments used, quality = 1.00: * HG LEU 42 + HB3 LEU 42 OK 100 100 - 100 - 3.0=100 HB VAL 54 + HB3 LEU 42 OK 62 90 - 70 - 2.1/10653=27, ~10657=16...(18) HB2 GLU 43 - HB3 LEU 42 OK 41 92 - 45 - 4.0/6688=14, 6675/4.0=6...(14) HB3 LEU 14 - HB3 LEU 42 OK 40 98 - 41 - 1914/1.8=5, 1939/3.1=5...(21) HB ILE 8 - HB3 LEU 42 OK 21 100 - 21 - 1914/1.8=3, 6675/4.0=2...(8) HB2 LYS 20 - HB3 LEU 42 OK 18 97 - 18 - 4.6/8561=6, 1914/1.8=2...(5) HB2 ARG 19 - HB3 LEU 42 OK 11 99 - 10 - 1914/1.8=1, 1939/3.1=1 HB3 LYS 13 - HB3 LEU 42 poor 7 65 - 11 - 3.0/8918=2, ~8915=1...(4) HB3 LYS 33 - HB3 LEU 42 poor 7 61 - 12 - ~10601=8, 1902/3.0=1 Peak 1924 from cnoeabs.peaks (0.69, 1.30, 40.51 ppm; 3.65 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 42 + HB3 LEU 42 OK 100 100 - 100 - 3.1=100 QD1 ILE 52 + HB3 LEU 42 OK 55 98 - 56 - ~10599=10, 1915/1.8=8...(22) QD2 LEU 6 + HB3 LEU 42 OK 50 100 - 50 - 1915/1.8=7, 1948/3.1=6...(20) QD1 LEU 14 - HB3 LEU 42 OK 33 90 - 37 - 1915/1.8=5, 1932/3.0=4...(17) QG2 VAL 58 - HB3 LEU 42 OK 14 84 - 16 - 1915/1.8=2, 1932/3.0=2...(8) QD1 ILE 56 - HB3 LEU 42 lone 3 61 - 5 - Peak 1925 from cnoeabs.peaks (0.77, 1.30, 40.51 ppm; 3.70 A): 3 out of 9 assignments used, quality = 1.00: * QD2 LEU 42 + HB3 LEU 42 OK 100 100 - 100 - 3.1=100 QG1 VAL 54 + HB3 LEU 42 OK 73 99 - 74 - 10653=32, 10657/3.0=26...(18) QD1 LEU 6 + HB3 LEU 42 OK 47 99 - 48 - 2.1/1924=7, 230/3.1=7...(20) QG2 ILE 52 - HB3 LEU 42 OK 44 87 - 50 - ~10599=7, 3.1/1924=6...(26) QD1 ILE 93 - HB3 LEU 42 OK 42 100 - 42 - 4164/1.8=6, 3.2/1921=4...(19) QG2 ILE 93 - HB3 LEU 42 OK 30 73 - 41 - 2.1/1921=5, 4.0/10006=4...(21) QD1 LEU 27 - HB3 LEU 42 OK 16 100 - 16 - 10137/136=2, 10135/128=2 QD1 ILE 15 - HB3 LEU 42 OK 16 97 - 16 - 1916/1.8=2, 1904/3.0=1...(5) HG13 ILE 15 - HB3 LEU 42 OK 12 87 - 14 - 1916/1.8=1, 1904/3.0=1...(4) Peak 1926 from cnoeabs.peaks (8.19, 1.30, 40.51 ppm; 4.74 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 43 + HB3 LEU 42 OK 100 100 - 100 - 4.6=100 H ASP 36 - HB3 LEU 42 OK 43 96 - 45 - 1917/1.8=10, 1905/3.0=8...(10) H LYS 68 - HB3 LEU 42 OK 42 97 - 44 - 7116/4.0=11, 1917/1.8=9...(8) H PHE 96 - HB3 LEU 42 lone 5 61 - 7 - 1917/1.8=1, 1950/3.1=1 Peak 1927 from cnoeabs.peaks (7.96, 1.90, 26.36 ppm; 3.79 A): 2 out of 2 assignments used, quality = 0.94: * H LEU 42 + HG LEU 42 OK 89 100 - 89 - 4.9=47, 1943/2.1=20...(16) H LEU 70 + HG LEU 42 OK 49 100 - 49 - 1935/2.1=12, 1943/2.1=11...(8) Peak 1928 from cnoeabs.peaks (3.70, 1.90, 26.36 ppm; 4.67 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 42 + HG LEU 42 OK 100 100 - 100 - 4.3=100 HA GLU 37 + HG LEU 42 OK 51 99 - 51 - 1911/3.0=11, 1936/2.1=11...(10) HA3 GLY 100 - HG LEU 42 OK 42 90 - 46 - 1936/2.1=9, 1944/2.1=9...(10) Peak 1929 from cnoeabs.peaks (1.81, 1.90, 26.36 ppm; 3.71 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 42 + HG LEU 42 OK 100 100 - 100 - 3.0=100 HB2 LYS 39 + HG LEU 42 OK 69 94 - 74 - 3.0/8967=15, ~8966=13...(21) HB2 LYS 90 - HG LEU 42 OK 39 99 - 39 - 3928/3.0=6, 1945/2.1=5...(18) HB ILE 93 - HG LEU 42 OK 37 99 - 38 - 1945/2.1=6, 1937/2.1=5...(18) HB2 GLU 88 - HG LEU 42 lone 10 100 - 9 - 1937/2.1=2, 1945/2.1=1 HB2 GLU 104 - HG LEU 42 lone 7 100 - 7 - 1937/2.1=1 HG2 ARG 46 - HG LEU 42 lone 5 65 - 8 - ~10341=2 HB3 LEU 57 - HG LEU 42 lone 5 70 - 7 - Peak 1930 from cnoeabs.peaks (1.30, 1.90, 26.36 ppm; 4.52 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 42 + HG LEU 42 OK 100 100 - 100 - 3.0=100 HG2 ARG 30 + HG LEU 42 OK 55 94 - 59 - 8720/2.1=10, 1946/2.1=9...(14) HG LEU 3 - HG LEU 42 OK 41 99 - 41 - 1913/3.0=7, 1946/2.1=7...(10) HG2 LYS 90 - HG LEU 42 OK 39 73 - 53 - 1913/3.0=7, 1946/2.1=7...(18) Peak 1931 from cnoeabs.peaks (1.90, 1.90, 26.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 42 + HG LEU 42 OK 100 100 - 100 Peak 1932 from cnoeabs.peaks (0.69, 1.90, 26.36 ppm; 3.72 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 42 + HG LEU 42 OK 100 100 - 100 - 2.1=100 QD1 ILE 52 + HG LEU 42 OK 58 98 - 60 - ~10599=13, 1948/2.1=8...(20) QD2 LEU 6 + HG LEU 42 OK 49 100 - 49 - 223/2.1=8, 1924/3.0=6...(16) QD1 LEU 14 - HG LEU 42 OK 39 90 - 43 - 621=4, 1915/3.0=4...(20) QG2 VAL 58 - HG LEU 42 OK 20 84 - 23 - 2.1/10224=3, 2.1/10701=3...(11) QD1 ILE 56 - HG LEU 42 lone 4 61 - 6 - Peak 1933 from cnoeabs.peaks (0.77, 1.90, 26.36 ppm; 3.51 A): 2 out of 9 assignments used, quality = 1.00: * QD2 LEU 42 + HG LEU 42 OK 100 100 - 100 - 2.1=100 QG1 VAL 54 + HG LEU 42 OK 59 99 - 60 - 10653/3.0=18...(17) QG2 ILE 52 - HG LEU 42 OK 43 87 - 50 - ~10599=8, 3.1/1932=5...(23) QD1 LEU 6 - HG LEU 42 OK 43 99 - 44 - 230/2.1=8, 2.1/1932=6...(16) QD1 ILE 93 - HG LEU 42 OK 32 100 - 32 - 4164/3.0=4, 1941/2.1=3...(15) QG2 ILE 93 - HG LEU 42 OK 24 73 - 33 - 2.1/1929=4, ~1945=3...(20) QD1 ILE 15 - HG LEU 42 OK 14 97 - 14 - 1941/2.1=2, 5.0/6212=1...(4) HG13 ILE 15 - HG LEU 42 OK 11 87 - 13 - 4.6/6212=1, 1941/2.1=1 QD1 LEU 27 - HG LEU 42 OK 11 100 - 11 - 1941/2.1=1, 1925/3.0=1 Peak 1934 from cnoeabs.peaks (8.19, 1.90, 26.36 ppm; 5.37 A): 3 out of 4 assignments used, quality = 0.98: * H GLU 43 + HG LEU 42 OK 90 100 - 90 - 6688/3.0=29, 6685/4.9=24...(22) H ASP 36 + HG LEU 42 OK 52 96 - 54 - 1917/3.0=10, 1950/2.1=9...(13) H LYS 68 + HG LEU 42 OK 48 97 - 49 - 7116/4.9=12, 1950/2.1=10...(11) H PHE 96 - HG LEU 42 lone 5 61 - 8 - 1950/2.1=2, 1917/3.0=1 Peak 1935 from cnoeabs.peaks (7.96, 0.69, 25.64 ppm; 4.22 A): 2 out of 2 assignments used, quality = 0.99: * H LEU 42 + QD1 LEU 42 OK 97 100 - 97 - 4.7=74, 1927/2.1=26...(21) H LEU 70 + QD1 LEU 42 OK 71 100 - 71 - 1927/2.1=14, 1943/2.1=14...(15) Peak 1936 from cnoeabs.peaks (3.70, 0.69, 25.64 ppm; 3.90 A): 1 out of 3 assignments used, quality = 0.98: * HA LEU 42 + QD1 LEU 42 OK 98 100 - 98 - 4.0=91, 1944/2.1=27...(16) HA GLU 37 - QD1 LEU 42 OK 41 99 - 41 - 1944/2.1=9, 1911/3.1=8...(8) HA3 GLY 100 - QD1 LEU 42 OK 33 90 - 37 - 1944/2.1=8, 1928/2.1=6...(10) Peak 1937 from cnoeabs.peaks (1.81, 0.69, 25.64 ppm; 3.60 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 42 + QD1 LEU 42 OK 100 100 - 100 - 3.1=100 HB2 LYS 39 + QD1 LEU 42 OK 70 94 - 74 - 3.0/8966=20, ~8967=10...(22) HB2 LYS 90 - QD1 LEU 42 OK 40 99 - 40 - 1945/2.1=5, 3928/3.1=5...(19) HB ILE 93 - QD1 LEU 42 OK 40 99 - 40 - 1945/2.1=5, 1929/2.1=4...(19) HB2 GLU 88 - QD1 LEU 42 OK 15 100 - 14 - 4.3/9925=2, 3.9/8602=1...(5) HB2 GLU 104 - QD1 LEU 42 lone 8 100 - 8 - HG2 ARG 46 - QD1 LEU 42 poor 7 65 - 10 - 4.1/9027=2, ~10341=2 HB3 LEU 57 - QD1 LEU 42 lone 6 70 - 9 - 3.1/10696=2 Peak 1938 from cnoeabs.peaks (1.30, 0.69, 25.64 ppm; 3.24 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 42 + QD1 LEU 42 OK 100 100 - 100 - 3.1=100 HG2 ARG 30 - QD1 LEU 42 OK 40 94 - 43 - 2.9/8718=6, 1946/2.1=6...(15) HG LEU 3 - QD1 LEU 42 OK 25 99 - 25 - 1946/2.1=4, 1913/3.1=4...(9) HG2 LYS 90 - QD1 LEU 42 OK 24 73 - 33 - 1946/2.1=4, 1913/3.1=4...(16) Peak 1939 from cnoeabs.peaks (1.90, 0.69, 25.64 ppm; 3.29 A): 1 out of 9 assignments used, quality = 1.00: * HG LEU 42 + QD1 LEU 42 OK 100 100 - 100 - 2.1=100 HB VAL 54 - QD1 LEU 42 OK 37 90 - 41 - ~10653=7, 1947/2.1=6...(15) HB3 LEU 14 - QD1 LEU 42 OK 36 98 - 37 - 607=5, 1947/2.1=4...(18) HB2 GLU 43 - QD1 LEU 42 OK 29 92 - 31 - 4.0/6690=6, 1947/2.1=4...(12) HB ILE 8 - QD1 LEU 42 OK 15 100 - 15 - 1947/2.1=2, 1914/3.1=1...(5) HB2 LYS 20 - QD1 LEU 42 OK 10 97 - 10 - 1947/2.1=2, 1923/3.1=1 HB2 ARG 19 - QD1 LEU 42 lone 7 99 - 7 - 1947/2.1=1 HB3 LYS 13 - QD1 LEU 42 lone 6 65 - 9 - 4.6/6201=1 HB3 LYS 33 - QD1 LEU 42 lone 2 61 - 3 - Peak 1940 from cnoeabs.peaks (0.69, 0.69, 25.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 42 + QD1 LEU 42 OK 100 100 - 100 Peak 1941 from cnoeabs.peaks (0.77, 0.69, 25.64 ppm; 2.67 A): 1 out of 9 assignments used, quality = 1.00: * QD2 LEU 42 + QD1 LEU 42 OK 100 100 - 100 - 2.1=100 QD1 LEU 6 - QD1 LEU 42 OK 38 99 - 38 - 230=9, 2.1/214=4...(19) QG1 VAL 54 - QD1 LEU 42 OK 38 99 - 38 - 10653/3.1=10...(12) QG2 ILE 52 - QD1 LEU 42 OK 32 87 - 37 - 2356=5, ~10599=4...(18) QD1 ILE 93 - QD1 LEU 42 OK 21 100 - 21 - 4164/3.1=2, 3.2/1937=2...(7) QG2 ILE 93 - QD1 LEU 42 OK 15 73 - 21 - 2.1/1937=3, 4.3/10414=2...(8) QD1 ILE 15 - QD1 LEU 42 lone 10 97 - 10 - 4.2/12021=1 HG13 ILE 15 - QD1 LEU 42 lone 8 87 - 9 - 4.1/12021=1, 4.6/6214=1 QD1 LEU 27 - QD1 LEU 42 lone 7 100 - 7 - Peak 1943 from cnoeabs.peaks (7.96, 0.77, 21.93 ppm; 4.10 A): 2 out of 2 assignments used, quality = 0.97: * H LEU 42 + QD2 LEU 42 OK 94 100 - 94 - 4.7=67, 1927/2.1=25...(13) H LEU 70 + QD2 LEU 42 OK 53 100 - 53 - 1935/2.1=15, 1927/2.1=14...(8) Peak 1944 from cnoeabs.peaks (3.70, 0.77, 21.93 ppm; 3.12 A): 3 out of 3 assignments used, quality = 0.86: * HA LEU 42 + QD2 LEU 42 OK 76 100 - 76 - 4.0=47, 1936/2.1=13...(13) HA GLU 37 + QD2 LEU 42 OK 27 99 - 27 - 1936/2.1=5, 1911/3.1=5...(6) HA3 GLY 100 + QD2 LEU 42 OK 21 90 - 24 - 1936/2.1=4, 1.8/8924=4...(8) Peak 1945 from cnoeabs.peaks (1.81, 0.77, 21.93 ppm; 3.36 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 3.1=100 HB2 LYS 39 + QD2 LEU 42 OK 59 94 - 63 - ~8966=10, ~8967=8...(21) HB ILE 93 - QD2 LEU 42 OK 38 99 - 38 - 4136=6, 1937/2.1=4...(19) HB2 LYS 90 - QD2 LEU 42 OK 36 99 - 37 - 3928/3.1=4, 1937/2.1=4...(19) HB2 GLU 88 - QD2 LEU 42 lone 9 100 - 9 - 1937/2.1=2, 1929/2.1=1 HB2 GLU 104 - QD2 LEU 42 lone 6 100 - 6 - HG2 ARG 46 - QD2 LEU 42 lone 6 65 - 9 - 3.0/10341=2, 3.0/10341=1 HB3 LEU 57 - QD2 LEU 42 lone 4 70 - 5 - Peak 1946 from cnoeabs.peaks (1.30, 0.77, 21.93 ppm; 3.48 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 3.1=100 HG2 ARG 30 - QD2 LEU 42 OK 40 94 - 42 - 1938/2.1=8, 1930/2.1=5...(16) HG LEU 3 - QD2 LEU 42 OK 28 99 - 28 - 1938/2.1=5, 1913/3.1=4...(9) HG2 LYS 90 - QD2 LEU 42 OK 28 73 - 38 - 1913/3.1=5, 1938/2.1=5...(18) Peak 1947 from cnoeabs.peaks (1.90, 0.77, 21.93 ppm; 2.83 A): 1 out of 9 assignments used, quality = 1.00: * HG LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 2.1=100 HB VAL 54 - QD2 LEU 42 OK 30 90 - 34 - ~10653=5, 2491=5...(16) HB3 LEU 14 - QD2 LEU 42 OK 22 98 - 23 - 1939/2.1=4, 1914/3.1=2...(10) HB2 GLU 43 - QD2 LEU 42 OK 21 92 - 23 - 4.0/1950=4, 1939/2.1=3...(11) HB ILE 8 - QD2 LEU 42 lone 9 100 - 9 - 1939/2.1=2, 1914/3.1=1 HB2 LYS 20 - QD2 LEU 42 lone 8 97 - 8 - 1939/2.1=1 HB2 ARG 19 - QD2 LEU 42 lone 5 99 - 5 - HB3 LYS 13 - QD2 LEU 42 lone 4 65 - 6 - HB3 LYS 33 - QD2 LEU 42 lone 1 61 - 2 - Peak 1948 from cnoeabs.peaks (0.69, 0.77, 21.93 ppm; 2.40 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 2.1=100 QD1 ILE 52 - QD2 LEU 42 OK 32 98 - 33 - 2.1/10599=8, 2377=3...(12) QD2 LEU 6 - QD2 LEU 42 OK 30 100 - 30 - 223=6, 2.1/215=3...(13) QD1 LEU 14 - QD2 LEU 42 OK 15 90 - 16 - 1932/2.1=2, 3.1/1947=2...(5) QG2 VAL 58 - QD2 LEU 42 lone 6 84 - 8 - QD1 ILE 56 - QD2 LEU 42 lone 1 61 - 2 - Peak 1949 from cnoeabs.peaks (0.77, 0.77, 21.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + QD2 LEU 42 OK 100 100 - 100 Peak 1950 from cnoeabs.peaks (8.19, 0.77, 21.93 ppm; 5.15 A): 3 out of 4 assignments used, quality = 0.96: * H GLU 43 + QD2 LEU 42 OK 88 100 - 88 - 3.6/1944=28, 6688/3.1=27...(19) H LYS 68 + QD2 LEU 42 OK 45 97 - 46 - 7116/4.7=11, 1934/2.1=9...(9) H ASP 36 + QD2 LEU 42 OK 42 96 - 44 - 1934/2.1=10, 1917/3.1=10...(8) H PHE 96 - QD2 LEU 42 poor 7 61 - 11 - 4.5/10039=1 Peak 1951 from cnoeabs.peaks (8.19, 3.88, 59.12 ppm; 3.48 A): 3 out of 12 assignments used, quality = 1.00: * H GLU 43 + HA GLU 43 OK 100 100 - 100 - 2.9=100 H ASP 36 + HA GLU 35 OK 83 85 - 97 - 3.6=93, 6556/3.0=22...(12) H GLU 43 + HA GLU 35 OK 49 92 - 54 - 6692=9, 1547/3.0=7...(19) H ASP 36 - HA GLU 43 OK 41 96 - 43 - 6557=7, 1970/3.0=7...(11) H LYS 68 - HA GLU 43 OK 18 97 - 18 - 6704/3.6=3, 1970/3.0=3...(6) H GLU 43 - HA ARG 91 OK 17 91 - 19 - 6692=3, 4.0/1963=2...(6) H ASP 36 - HA ARG 91 OK 12 84 - 14 - 6557=3, 4.6/1527=2...(5) H LYS 68 - HA GLU 35 OK 10 87 - 11 - 6554/3.0=2, 1562/4.9=2...(4) H PHE 96 - HA GLU 43 lone 5 61 - 8 - 4.5/7524=3 H PHE 96 - HA ARG 91 lone 3 51 - 5 - 4.5/7524=3 H LYS 68 - HA ARG 91 lone 2 86 - 3 - H PHE 96 - HA GLU 35 lone 2 52 - 4 - 4.5/7524=2 Peak 1952 from cnoeabs.peaks (3.88, 3.88, 59.12 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA GLU 43 + HA GLU 43 OK 100 100 - 100 HA GLU 35 + HA GLU 35 OK 91 91 - 100 HA ARG 91 + HA ARG 91 OK 89 89 - 100 Peak 1953 from cnoeabs.peaks (1.91, 3.88, 59.12 ppm; 3.09 A): 1 out of 36 assignments used, quality = 1.00: * HB2 GLU 43 + HA GLU 43 OK 100 100 - 100 - 3.0=100 HB2 GLU 43 - HA GLU 35 OK 42 92 - 46 - 1963=7, 1.8/1971=6...(18) HG LEU 42 - HA GLU 43 OK 37 92 - 40 - 6689/2.9=7, ~6688=4...(17) HB2 LYS 94 - HA GLU 43 OK 22 73 - 30 - 1.8/4196=6, 4.0/7502=4...(9) HB3 LYS 47 - HA ARG 91 OK 18 54 - 34 - 1.8/1959=4, 4184=3...(15) HB2 GLU 43 - HA ARG 91 OK 18 91 - 19 - 1963=3, 1.8/1971=3...(5) HB ILE 8 - HA GLU 43 OK 10 90 - 12 - 1972/3.0=2, 1986/3.7=1...(4) HB2 LYS 94 - HA ARG 91 OK 10 61 - 17 - 1.8/4196=5, 4.0/7502=4...(5) HG LEU 42 - HA GLU 35 poor 10 81 - 12 - 1934/3.6=2, 10340/3.0=2 HB3 LYS 47 - HA GLU 43 poor 9 65 - 14 - 6706/3.6=3, 4.0/6757=2...(5) HB2 LYS 94 - HA GLU 35 poor 9 62 - 14 - 1.8/4196=4, 4.0/7502=2...(4) HB3 LEU 14 - HA GLU 43 lone 8 99 - 8 - 6689/2.9=2, 1972/3.0=1 HB2 LYS 20 - HA ARG 91 poor 6 58 - 11 - HB3 LYS 13 - HA GLU 43 lone 5 96 - 5 - HB2 LYS 13 - HA GLU 43 lone 4 92 - 5 - HG LEU 42 - HA ARG 91 lone 4 80 - 5 - ~9955=1 HB3 LYS 47 - HA GLU 35 lone 4 55 - 7 - HB2 LYS 20 - HA GLU 43 lone 4 70 - 5 - HB3 LYS 13 - HA ARG 91 lone 3 84 - 4 - HB2 LYS 13 - HA ARG 91 lone 3 80 - 4 - HB ILE 8 - HA GLU 35 lone 3 78 - 4 - HB2 ARG 19 - HA GLU 43 lone 3 81 - 3 - HB3 LYS 33 - HA GLU 43 lone 2 94 - 2 - HB3 LEU 14 - HA GLU 35 lone 2 91 - 2 - HB2 LYS 33 - HA GLU 43 lone 2 90 - 2 - HB2 LYS 20 - HA GLU 35 lone 2 59 - 3 - HB3 LYS 13 - HA GLU 35 lone 2 85 - 2 - HB3 LEU 14 - HA ARG 91 lone 2 90 - 2 - HB2 LYS 13 - HA GLU 35 lone 2 81 - 2 - HB2 ARG 19 - HA ARG 91 lone 1 68 - 2 - HB3 LYS 33 - HA GLU 35 lone 1 83 - 1 - HB ILE 8 - HA ARG 91 lone 1 77 - 1 - HB2 LYS 33 - HA GLU 35 lone 1 78 - 1 - HB3 LYS 33 - HA ARG 91 lone 1 82 - 1 - HB2 LYS 33 - HA ARG 91 lone 1 77 - 1 - HB2 ARG 19 - HA GLU 35 lone 1 69 - 1 - Peak 1954 from cnoeabs.peaks (2.06, 3.88, 59.12 ppm; 2.83 A): 2 out of 30 assignments used, quality = 0.97: * HB3 GLU 43 + HA GLU 43 OK 93 100 - 93 - 3.0=83, 1975/3.7=12...(15) HB3 GLU 35 + HA GLU 35 OK 57 62 - 91 - 3.0=83, 1.8/4023=9...(22) HB3 GLU 43 - HA GLU 35 OK 36 92 - 40 - 1971=7, 1.8/1963=4...(15) HB3 LEU 38 - HA GLU 43 OK 36 96 - 38 - 1965/3.0=5, 6694/2.9=4...(20) HB3 GLU 35 - HA GLU 43 OK 29 73 - 40 - 1.8/1535=6, 6694/2.9=4...(16) HB3 LEU 38 - HA GLU 35 OK 21 85 - 25 - 3.8/12057=3, 1635=2...(11) HB3 GLU 88 - HA ARG 91 OK 20 71 - 28 - 3.0/10970=4, ~3869=3...(13) HB3 GLU 43 - HA ARG 91 OK 15 91 - 16 - 1971=3, 1.8/1963=2...(5) HB2 MET 74 - HA GLU 43 OK 14 100 - 14 - 4.2/9610=3, 6707/3.6=2...(5) HB3 LEU 38 - HA ARG 91 OK 13 84 - 15 - 1.8/1627=2, 3.1/10168=1...(6) HB2 MET 74 - HA GLU 35 OK 12 92 - 13 - 3340/3.0=2, 4.2/9610=1...(4) HB3 GLU 88 - HA GLU 35 poor 9 72 - 12 - 3.0/10970=2, 10306=1...(4) HB2 GLU 16 - HA GLU 43 lone 8 90 - 9 - 4.0/1958=1 HB3 GLU 35 - HA ARG 91 poor 8 61 - 13 - 1.8/1535=2, 4.0/6549=1, 1542=1 HB2 GLU 16 - HA GLU 35 lone 6 78 - 8 - HB3 GLU 88 - HA GLU 43 lone 6 84 - 7 - HB3 GLU 48 - HA GLU 43 lone 5 70 - 8 - 4.0/1957=1 HB2 MET 74 - HA ARG 91 lone 3 91 - 3 - HB2 GLU 16 - HA ARG 91 lone 2 77 - 2 - HB3 GLU 48 - HA ARG 91 lone 2 58 - 3 - HG3 GLU 28 - HA GLU 43 lone 2 100 - 1 - HG2 GLU 28 - HA GLU 43 lone 2 100 - 1 - HB2 MET 21 - HA GLU 43 lone 1 81 - 1 - HG3 GLU 28 - HA ARG 91 lone 1 91 - 1 - HG2 GLU 28 - HA ARG 91 lone 1 91 - 1 - HB2 MET 21 - HA ARG 91 lone 1 68 - 1 - HB3 GLU 48 - HA GLU 35 lone 1 59 - 1 - HG3 GLU 28 - HA GLU 35 lone 1 92 - 1 - HG2 GLU 28 - HA GLU 35 lone 1 92 - 1 - HB2 MET 21 - HA GLU 35 lone 1 69 - 1 - Peak 1955 from cnoeabs.peaks (2.19, 3.88, 59.12 ppm; 3.12 A): 5 out of 33 assignments used, quality = 1.00: * HG2 GLU 43 + HA GLU 43 OK 84 100 - 84 - 3.7=62, 1974/3.0=15...(13) HG2 GLU 35 + HA GLU 35 OK 70 85 - 82 - 4.1=45, 1538/3.0=8...(24) HG3 GLU 35 + HA GLU 35 OK 70 85 - 82 - 4.1=45, 1538/3.0=8...(24) HG3 GLU 35 + HA GLU 43 OK 50 96 - 52 - 1974/3.0=6, 2.9/1535=5...(22) HG2 GLU 35 + HA GLU 43 OK 50 96 - 52 - 1974/3.0=6, 2.9/1535=5...(22) HG2 GLU 43 - HA GLU 35 OK 30 92 - 33 - 1.8/1985=5, 3.0/1971=4...(12) HG2 GLU 43 - HA ARG 91 OK 14 91 - 15 - 1.8/1985=2, 3.0/1971=2...(6) HG2 MET 1 - HA GLU 35 OK 13 81 - 16 - 25/3.0=3, ~32=2...(7) HG3 PRO 86 - HA ARG 91 OK 12 86 - 15 - 3846/3.6=3, ~10990=2...(4) HG2 GLU 35 - HA ARG 91 OK 11 84 - 13 - 2.9/1535=2, 2.9/1542=2...(4) HG3 GLU 35 - HA ARG 91 OK 11 84 - 13 - 2.9/1535=2, 2.9/1542=2...(4) HG2 MET 1 - HA GLU 43 lone 6 92 - 7 - HB2 GLU 63 - HA GLU 43 lone 5 94 - 5 - HB2 GLU 95 - HA GLU 43 lone 5 73 - 6 - 4.0/7524=3 HB2 GLU 63 - HA GLU 35 lone 4 83 - 5 - HG3 PRO 86 - HA GLU 43 lone 4 97 - 4 - HB2 GLU 95 - HA GLU 35 lone 4 62 - 6 - 4.0/7524=2, ~8777=1 HG3 PRO 86 - HA GLU 35 lone 4 87 - 4 - HG2 MET 1 - HA ARG 91 lone 3 80 - 4 - HB3 GLU 75 - HA GLU 43 lone 3 100 - 3 - HB2 GLU 95 - HA ARG 91 lone 3 61 - 4 - 4.0/7524=3 HB3 GLU 75 - HA GLU 35 lone 3 92 - 3 - HB3 GLN 50 - HA GLU 43 lone 2 81 - 2 - HB3 GLU 75 - HA ARG 91 lone 1 91 - 2 - HG3 GLU 75 - HA GLU 43 lone 1 81 - 2 - HB2 GLU 63 - HA ARG 91 lone 1 82 - 2 - HB3 GLN 50 - HA GLU 35 lone 1 69 - 2 - HG2 GLU 75 - HA GLU 43 lone 1 73 - 2 - HG3 GLU 75 - HA GLU 35 lone 1 69 - 1 - HG2 GLU 75 - HA GLU 35 lone 1 62 - 1 - HB3 GLN 50 - HA ARG 91 lone 1 68 - 1 - HG3 GLU 75 - HA ARG 91 lone 0 68 - 1 - HG2 GLU 75 - HA ARG 91 lone 0 61 - 1 - Peak 1956 from cnoeabs.peaks (2.32, 3.88, 59.12 ppm; 3.97 A): 3 out of 18 assignments used, quality = 1.00: * HG3 GLU 43 + HA GLU 43 OK 100 100 - 100 - 3.7=100 HG3 GLU 43 + HA GLU 35 OK 54 92 - 59 - 1985=9, 1984/3.6=7...(25) HB2 TYR 41 + HA GLU 43 OK 49 96 - 52 - 6696/2.9=11, 6709/3.6=8...(12) HG3 GLU 43 - HA ARG 91 OK 23 91 - 25 - 1985=4, 3.0/1971=3...(9) HG2 GLU 48 - HA GLU 43 OK 16 90 - 17 - 1967/3.0=3, 1975/3.0=3...(6) HG2 GLU 16 - HA GLU 43 OK 11 73 - 15 - 1975/3.0=2, 1967/3.0=2...(6) HB2 TYR 41 - HA GLU 35 OK 11 85 - 13 - 4.1/6662=2, 1882=2...(4) HG2 GLU 16 - HA GLU 35 poor 8 62 - 12 - 3.0/1542=1, ~701=1...(5) HG2 GLU 48 - HA ARG 91 lone 5 77 - 7 - ~9030=1, 4.9/1957=1, 9033/3.0=1 HB2 TYR 41 - HA ARG 91 lone 4 84 - 5 - HD3 ARG 81 - HA GLU 43 lone 4 81 - 5 - 1967/3.0=1 HG3 GLU 69 - HA GLU 43 lone 4 65 - 6 - 6709/3.6=2, 6696/2.9=1 HD3 ARG 81 - HA ARG 91 lone 3 68 - 5 - 9749/3.0=1, ~10925=1 HG2 GLU 48 - HA GLU 35 lone 3 78 - 4 - HG2 GLU 16 - HA ARG 91 lone 2 61 - 4 - HD3 ARG 81 - HA GLU 35 lone 1 69 - 2 - HG3 GLU 69 - HA ARG 91 lone 1 54 - 2 - HG3 GLU 69 - HA GLU 35 lone 1 55 - 2 - Peak 1957 from cnoeabs.peaks (7.60, 3.88, 59.12 ppm; 3.70 A): 1 out of 9 assignments used, quality = 1.00: * H GLU 44 + HA GLU 43 OK 100 100 - 100 - 3.6=100 H GLU 44 - HA GLU 35 OK 34 92 - 37 - 6705=7, 6704/3.6=5...(10) H GLU 48 - HA GLU 43 OK 24 81 - 30 - 1976/3.0=6, 1968/3.0=5...(8) HD22 ASN 10 - HA GLU 43 OK 17 99 - 17 - 1976/3.0=4, 6697/2.9=4...(5) H GLU 44 - HA ARG 91 OK 15 91 - 16 - 6705=3, 4.4/1963=2...(6) H GLU 48 - HA ARG 91 OK 12 68 - 18 - 4.6/6757=4, 6780/3.0=4...(5) H GLU 48 - HA GLU 35 lone 5 69 - 7 - 4.6/6757=1 HD22 ASN 10 - HA GLU 35 lone 2 91 - 3 - HD22 ASN 10 - HA ARG 91 lone 2 90 - 2 - Peak 1958 from cnoeabs.peaks (8.02, 3.88, 59.12 ppm; 4.15 A): 7 out of 9 assignments used, quality = 0.88: * H ARG 46 + HA GLU 43 OK 46 100 - 47 - 6739/3.6=13, 6738=8...(14) H ARG 46 + HA ARG 91 OK 40 91 - 44 - 6738=7, 6755/3.0=6...(12) H GLU 16 + HA GLU 43 OK 21 97 - 21 - 6716/3.6=5, 6237/3.0=2...(5) H GLY 101 + HA ARG 91 OK 19 91 - 21 - 7629/3.6=5, 7633=3...(6) H GLY 101 + HA GLU 43 OK 18 100 - 18 - 6716/3.6=4, 7633=2, 3.0/4445=1 H ARG 46 + HA GLU 35 OK 17 92 - 18 - 6738=3, 3.0/10174=2...(7) H GLU 16 + HA GLU 35 OK 12 87 - 13 - 696/3.0=3, 4.0/1542=1, 6738=1 H GLU 16 - HA ARG 91 poor 9 86 - 11 - H GLY 101 - HA GLU 35 lone 7 92 - 7 - 7633=1 Peak 1959 from cnoeabs.peaks (1.97, 3.88, 59.12 ppm; 3.05 A): 8 out of 30 assignments used, quality = 0.85: HB2 ARG 46 + HA ARG 91 OK 33 91 - 37 - 2066=5, 1.8/2076=5...(15) HB2 LYS 47 + HA ARG 91 OK 30 87 - 34 - 1.8/4184=5, 2134/3.0=4...(15) * HB2 ARG 46 + HA GLU 43 OK 25 100 - 25 - 2066=4, 1.8/2076=4...(9) HB3 ARG 46 + HA ARG 91 OK 22 65 - 34 - 1.8/2066=5, 2076=3...(15) HB3 ARG 46 + HA GLU 43 OK 18 77 - 23 - 1.8/2066=4, 4.0/1958=3...(9) QE MET 1 + HA GLU 35 OK 13 92 - 15 - 39/3.0=3, 40/4.1=2...(5) HB2 LYS 47 + HA GLU 43 OK 13 98 - 13 - 2144/3.6=4, 4.0/6757=2...(4) HB3 MET 74 + HA GLU 35 OK 10 75 - 14 - 3348/3.0=2, 4.2/9610=2...(6) HB3 MET 74 - HA GLU 43 poor 10 87 - 12 - 4.2/9610=3, 3344/3.0=1...(4) HB2 ARG 46 - HA GLU 35 poor 10 92 - 10 - 2066=2, 1.8/2076=1, 4.0/1958=1 HB2 GLU 37 - HA GLU 43 lone 7 100 - 7 - 4.1/8821=2, ~6686=2...(4) HB2 GLU 37 - HA GLU 35 lone 7 91 - 8 - 4.1/8821=4, 4.6/12057=3 HB3 ARG 46 - HA GLU 35 lone 6 66 - 9 - 1.8/2066=1, 4.0/1958=1 HB2 LYS 47 - HA GLU 35 lone 6 88 - 6 - 1.8/4184=1 HB2 GLU 37 - HA ARG 91 lone 5 90 - 5 - 4.1/8821=1, 4.6/12057=1 QE MET 1 - HA GLU 43 lone 4 100 - 4 - QE MET 1 - HA ARG 91 lone 4 91 - 4 - HB2 LYS 24 - HA ARG 91 lone 3 74 - 5 - HB3 LYS 24 - HA ARG 91 lone 3 74 - 5 - HB2 LYS 73 - HA ARG 91 lone 3 58 - 5 - HB3 LYS 73 - HA ARG 91 lone 3 54 - 5 - HB3 MET 74 - HA ARG 91 lone 2 74 - 3 - HB3 LYS 24 - HA GLU 43 lone 1 87 - 2 - HB2 LYS 24 - HA GLU 43 lone 1 87 - 2 - HB2 LYS 73 - HA GLU 43 lone 1 70 - 1 - HB2 LYS 73 - HA GLU 35 lone 1 59 - 2 - HB2 LYS 24 - HA GLU 35 lone 1 75 - 1 - HB3 LYS 24 - HA GLU 35 lone 1 75 - 1 - HB3 LYS 73 - HA GLU 43 lone 1 65 - 1 - HB3 LYS 73 - HA GLU 35 lone 1 55 - 2 - Peak 1960 from cnoeabs.peaks (1.96, 3.88, 59.12 ppm; 3.19 A): 9 out of 42 assignments used, quality = 0.89: HB3 ARG 46 + HA ARG 91 OK 36 91 - 40 - 2076=6, 1.8/2066=5...(18) HB2 LYS 47 + HA ARG 91 OK 30 82 - 37 - 1.8/4184=5, 2134/3.0=4...(15) * HB3 ARG 46 + HA GLU 43 OK 27 100 - 28 - 2076=5, 1.8/2066=4...(9) HB2 ARG 46 + HA ARG 91 OK 24 65 - 37 - 1.8/2076=5, 2066=4...(17) HB2 ARG 46 + HA GLU 43 OK 20 77 - 26 - 1.8/2076=4, 4.0/1958=3...(9) HB3 MET 74 + HA GLU 35 OK 15 91 - 16 - 3348/3.0=3, 4.2/9610=2...(6) HB3 MET 74 + HA GLU 43 OK 13 100 - 13 - 4.2/9610=4, 3344/3.0=2...(4) HB2 LYS 47 + HA GLU 43 OK 13 94 - 14 - 2144/3.6=4, 4.0/6757=2...(4) HB3 ARG 46 + HA GLU 35 OK 10 92 - 11 - 2076=2, 1.8/2066=2...(4) HG3 GLU 88 - HA ARG 91 poor 9 61 - 15 - 3.0/10306=4, 4.2/10970=4...(6) HB2 MET 1 - HA GLU 35 poor 9 55 - 17 - 1.8/1529=2, 11/3.0=1...(9) HG3 GLU 88 - HA GLU 35 poor 8 62 - 12 - 3.0/10306=2, 4.2/10970=2...(7) QE MET 1 - HA GLU 35 poor 7 59 - 12 - 39/3.0=2, 3.3/10353=1...(4) HB2 ARG 46 - HA GLU 35 poor 7 66 - 10 - 1.8/2076=2, 4.0/1958=1...(4) HB2 LYS 47 - HA GLU 35 lone 5 83 - 7 - 1.8/4184=1 HB2 LYS 73 - HA ARG 91 lone 5 91 - 6 - HB3 LYS 73 - HA ARG 91 lone 5 90 - 6 - HB2 GLU 37 - HA GLU 43 lone 5 65 - 8 - 4.1/8821=2, ~6686=2...(4) HB2 LYS 24 - HA ARG 91 lone 5 90 - 5 - HB3 LYS 24 - HA ARG 91 lone 5 90 - 5 - HB2 GLU 37 - HA GLU 35 lone 5 55 - 8 - 4.1/8821=4, 4.6/12057=3 HB VAL 32 - HA GLU 35 lone 4 52 - 8 - ~8775=3, 2.1/10162=3 HG3 GLU 88 - HA GLU 43 lone 4 73 - 5 - HB2 GLU 17 - HA GLU 35 lone 4 55 - 7 - 1.8/1535=1 HB3 MET 74 - HA ARG 91 lone 3 90 - 3 - HB2 GLU 37 - HA ARG 91 lone 3 54 - 5 - 4.1/8821=1, 4.6/12057=1 HB2 MET 1 - HA GLU 43 lone 3 65 - 4 - QE MET 1 - HA GLU 43 lone 2 70 - 3 - HB2 LYS 73 - HA GLU 35 lone 2 92 - 2 - HB3 LYS 73 - HA GLU 35 lone 2 91 - 2 - HB2 LYS 73 - HA GLU 43 lone 2 100 - 2 - HB3 LYS 73 - HA GLU 43 lone 2 100 - 2 - HB3 LYS 24 - HA GLU 43 lone 2 100 - 2 - HB2 LYS 24 - HA GLU 43 lone 2 100 - 2 - QE MET 1 - HA ARG 91 lone 2 58 - 3 - HB2 GLU 17 - HA GLU 43 lone 1 65 - 2 - HB2 MET 1 - HA ARG 91 lone 1 54 - 3 - HB3 LYS 24 - HA GLU 35 lone 1 91 - 1 - HB2 LYS 24 - HA GLU 35 lone 1 91 - 1 - HB VAL 32 - HA ARG 91 lone 1 51 - 2 - HB VAL 32 - HA GLU 43 lone 1 61 - 2 - HB2 GLU 17 - HA ARG 91 lone 1 54 - 1 - Peak 1961 from cnoeabs.peaks (3.86, 1.91, 29.24 ppm; 3.22 A): 4 out of 10 assignments used, quality = 0.92: HA GLU 43 + HB2 GLU 43 OK 65 65 - 100 - 3.0=100 * HA LYS 40 + HB2 GLU 43 OK 41 100 - 42 - 1780=15, 1781/1.8=14...(6) HA LEU 38 + HB2 GLU 43 OK 41 94 - 44 - 1969/1.8=8, 3.0/1965=6...(17) HA LYS 94 + HB2 GLU 43 OK 29 100 - 29 - 1969/1.8=4, 4172=2...(12) HA ALA 67 - HB2 GLU 43 lone 8 90 - 9 - 3.6/1962=2, 2977/4.0=2...(4) HA2 GLY 101 - HB2 GLU 43 lone 8 100 - 8 - 1969/1.8=1 HA2 GLY 100 - HB2 GLU 43 lone 6 100 - 6 - 6682/4.0=1, 1969/1.8=1 HB3 SER 49 - HB2 GLU 43 lone 4 96 - 4 - HA ALA 71 - HB2 GLU 43 lone 3 61 - 5 - HA LYS 12 - HB2 GLU 43 lone 2 92 - 3 - Peak 1962 from cnoeabs.peaks (8.19, 1.91, 29.24 ppm; 3.57 A): 3 out of 4 assignments used, quality = 0.94: * H GLU 43 + HB2 GLU 43 OK 90 100 - 90 - 4.0=70, 1970/1.8=25...(19) H ASP 36 + HB2 GLU 43 OK 35 96 - 36 - 1970/1.8=10, 1984/3.0=7...(9) H LYS 68 + HB2 GLU 43 OK 17 97 - 18 - 1970/1.8=5, 1984/3.0=4...(7) H PHE 96 - HB2 GLU 43 lone 3 61 - 4 - Peak 1963 from cnoeabs.peaks (3.88, 1.91, 29.24 ppm; 3.44 A): 3 out of 11 assignments used, quality = 1.00: * HA GLU 43 + HB2 GLU 43 OK 100 100 - 100 - 3.0=100 HA GLU 35 + HB2 GLU 43 OK 53 99 - 54 - 1971/1.8=7, 1953=6...(23) HA LEU 38 + HB2 GLU 43 OK 46 94 - 49 - 1971/1.8=7, 3.0/1965=7...(19) HA ARG 91 - HB2 GLU 43 OK 23 99 - 23 - 1971/1.8=3, 3.0/12311=3...(7) HA LYS 94 - HB2 GLU 43 OK 20 70 - 29 - ~7502=2, ~4196=2...(14) HA LYS 40 - HB2 GLU 43 OK 19 65 - 29 - 1780=7, 1781/1.8=7...(7) HA3 GLY 101 - HB2 GLU 43 lone 9 92 - 9 - 1971/1.8=1 HA2 GLY 101 - HB2 GLU 43 lone 5 70 - 7 - HA2 GLY 100 - HB2 GLU 43 lone 3 70 - 5 - HA ALA 89 - HB2 GLU 43 lone 3 65 - 5 - HB2 SER 102 - HB2 GLU 43 lone 1 90 - 1 - Peak 1964 from cnoeabs.peaks (1.91, 1.91, 29.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 43 + HB2 GLU 43 OK 100 100 - 100 Peak 1965 from cnoeabs.peaks (2.06, 1.91, 29.24 ppm; 2.62 A): 1 out of 10 assignments used, quality = 1.00: * HB3 GLU 43 + HB2 GLU 43 OK 100 100 - 100 - 1.8=100 HB3 LEU 38 - HB2 GLU 43 OK 37 96 - 39 - 3.1/12068=4, 1987/3.0=4...(23) HB3 GLU 35 - HB2 GLU 43 OK 24 73 - 34 - 2.9/1966=4, 2.9/1966=4...(14) HB2 MET 74 - HB2 GLU 43 lone 9 100 - 9 - 6707/4.4=1, 1987/3.0=1, ~3344=1 HB2 GLU 16 - HB2 GLU 43 lone 8 90 - 8 - 3.0/1967=1 HB3 GLU 48 - HB2 GLU 43 lone 6 70 - 9 - 4.0/1968=2, 3.0/1967=1 HB3 GLU 88 - HB2 GLU 43 lone 4 84 - 5 - HG3 GLU 28 - HB2 GLU 43 lone 1 100 - 1 - HG2 GLU 28 - HB2 GLU 43 lone 1 100 - 1 - HB2 MET 21 - HB2 GLU 43 lone 1 81 - 1 - Peak 1966 from cnoeabs.peaks (2.19, 1.91, 29.24 ppm; 3.38 A): 3 out of 11 assignments used, quality = 1.00: * HG2 GLU 43 + HB2 GLU 43 OK 100 100 - 100 - 3.0=100 HG3 GLU 35 + HB2 GLU 43 OK 56 96 - 59 - 1974/1.8=10, 1979=6...(27) HG2 GLU 35 + HB2 GLU 43 OK 56 96 - 59 - 1974/1.8=10, 1979=6...(27) HG2 MET 1 - HB2 GLU 43 lone 6 92 - 7 - HB2 GLU 63 - HB2 GLU 43 lone 6 94 - 6 - HG3 PRO 86 - HB2 GLU 43 lone 6 97 - 6 - HB3 GLU 75 - HB2 GLU 43 lone 4 100 - 3 - HB2 GLU 95 - HB2 GLU 43 lone 3 73 - 4 - HB3 GLN 50 - HB2 GLU 43 lone 2 81 - 2 - HG3 GLU 75 - HB2 GLU 43 lone 2 81 - 2 - HG2 GLU 75 - HB2 GLU 43 lone 1 73 - 2 - Peak 1967 from cnoeabs.peaks (2.32, 1.91, 29.24 ppm; 3.51 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLU 43 + HB2 GLU 43 OK 100 100 - 100 - 3.0=100 HB2 TYR 41 - HB2 GLU 43 OK 31 96 - 33 - 6696/4.0=6, 1975/1.8=6...(10) HG2 GLU 48 - HB2 GLU 43 OK 15 90 - 16 - 1975/1.8=3, 4.9/1968=3...(7) HG2 GLU 16 - HB2 GLU 43 OK 11 73 - 15 - 1975/1.8=3, 3.0/1965=1, ~720=1 HD3 ARG 81 - HB2 GLU 43 lone 5 81 - 6 - HG3 GLU 69 - HB2 GLU 43 lone 3 65 - 4 - 6709/4.4=1 Peak 1968 from cnoeabs.peaks (7.60, 1.91, 29.24 ppm; 3.97 A): 3 out of 3 assignments used, quality = 0.95: * H GLU 44 + HB2 GLU 43 OK 91 100 - 91 - 4.4=73, 1976/1.8=31...(8) H GLU 48 + HB2 GLU 43 OK 27 81 - 34 - 1976/1.8=8, 1990/3.0=6...(11) HD22 ASN 10 + HB2 GLU 43 OK 19 99 - 19 - 1976/1.8=6, 1990/3.0=4...(5) Peak 1969 from cnoeabs.peaks (3.86, 2.06, 29.24 ppm; 3.03 A): 4 out of 10 assignments used, quality = 0.90: HA GLU 43 + HB3 GLU 43 OK 65 65 - 100 - 3.0=100 HA LEU 38 + HB3 GLU 43 OK 41 94 - 43 - 1961/1.8=6, 1624/3.0=5...(19) * HA LYS 40 + HB3 GLU 43 OK 38 100 - 38 - 1781=18, 1780/1.8=10...(4) HA LYS 94 + HB3 GLU 43 OK 23 100 - 23 - 1961/1.8=4, 3.0/1972=2...(10) HA ALA 67 - HB3 GLU 43 lone 7 90 - 8 - 3.6/1970=2, 2977/4.0=1 HA2 GLY 101 - HB3 GLU 43 lone 7 100 - 7 - 1961/1.8=1 HA2 GLY 100 - HB3 GLU 43 lone 5 100 - 5 - HB3 SER 49 - HB3 GLU 43 lone 4 96 - 4 - HA ALA 71 - HB3 GLU 43 lone 3 61 - 5 - HA LYS 12 - HB3 GLU 43 lone 2 92 - 2 - Peak 1970 from cnoeabs.peaks (8.19, 2.06, 29.24 ppm; 3.29 A): 3 out of 4 assignments used, quality = 0.88: * H GLU 43 + HB3 GLU 43 OK 80 100 - 80 - 4.0=54, 1962/1.8=19...(14) H ASP 36 + HB3 GLU 43 OK 32 96 - 34 - 1962/1.8=7, 1984/3.0=6...(10) H LYS 68 + HB3 GLU 43 OK 14 97 - 15 - 1962/1.8=4, 1984/3.0=3...(6) H PHE 96 - HB3 GLU 43 lone 2 61 - 4 - 4.6/10062=1 Peak 1971 from cnoeabs.peaks (3.88, 2.06, 29.24 ppm; 3.10 A): 1 out of 11 assignments used, quality = 1.00: * HA GLU 43 + HB3 GLU 43 OK 100 100 - 100 - 3.0=100 HA GLU 35 - HB3 GLU 43 OK 45 99 - 45 - 1963/1.8=5, 3.6/1970=5...(18) HA LEU 38 - HB3 GLU 43 OK 42 94 - 45 - 1624/3.0=5, 1618=5...(21) HA ARG 91 - HB3 GLU 43 OK 19 99 - 19 - 1963/1.8=2, 3.0/12312=2...(5) HA LYS 40 - HB3 GLU 43 OK 16 65 - 24 - 1781=8, 1780/1.8=5...(5) HA LYS 94 - HB3 GLU 43 OK 15 70 - 22 - 3.0/1972=2, 1963/1.8=2...(11) HA3 GLY 101 - HB3 GLU 43 lone 7 92 - 7 - HA2 GLY 101 - HB3 GLU 43 lone 4 70 - 6 - HA ALA 89 - HB3 GLU 43 lone 3 65 - 4 - HA2 GLY 100 - HB3 GLU 43 lone 3 70 - 4 - HB2 SER 102 - HB3 GLU 43 lone 1 90 - 1 - Peak 1972 from cnoeabs.peaks (1.91, 2.06, 29.24 ppm; 2.64 A): 1 out of 12 assignments used, quality = 1.00: * HB2 GLU 43 + HB3 GLU 43 OK 100 100 - 100 - 1.8=100 HG LEU 42 - HB3 GLU 43 OK 16 92 - 18 - 6689/4.0=3, 1986/3.0=2...(8) HB2 LYS 94 - HB3 GLU 43 OK 13 73 - 18 - 3.0/1969=2, ~4196=2...(7) HB ILE 8 - HB3 GLU 43 OK 10 90 - 11 - 2.1/10608=2, 1986/3.0=1 HB3 LEU 14 - HB3 GLU 43 lone 7 99 - 7 - HB3 LYS 47 - HB3 GLU 43 lone 5 65 - 8 - 4.7/1976=2, 6706/4.4=1 HB3 LYS 13 - HB3 GLU 43 lone 3 96 - 3 - HB2 LYS 13 - HB3 GLU 43 lone 3 92 - 3 - HB2 LYS 20 - HB3 GLU 43 lone 3 70 - 4 - HB2 ARG 19 - HB3 GLU 43 lone 2 81 - 2 - HB3 LYS 33 - HB3 GLU 43 lone 1 94 - 2 - HB2 LYS 33 - HB3 GLU 43 lone 1 90 - 1 - Peak 1973 from cnoeabs.peaks (2.06, 2.06, 29.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 43 + HB3 GLU 43 OK 100 100 - 100 Peak 1974 from cnoeabs.peaks (2.19, 2.06, 29.24 ppm; 2.40 A): 3 out of 11 assignments used, quality = 0.83: * HG2 GLU 43 + HB3 GLU 43 OK 66 100 - 66 - 3.0=51, 1.8/1975=18...(7) HG3 GLU 35 + HB3 GLU 43 OK 29 96 - 31 - 1980=4, 1966/1.8=4...(10) HG2 GLU 35 + HB3 GLU 43 OK 29 96 - 31 - 1980=4, 1966/1.8=4...(10) HB3 GLU 75 - HB3 GLU 43 lone 3 100 - 2 - HB2 GLU 63 - HB3 GLU 43 lone 2 94 - 3 - HG2 MET 1 - HB3 GLU 43 lone 2 92 - 3 - HG3 PRO 86 - HB3 GLU 43 lone 2 97 - 2 - HG3 GLU 75 - HB3 GLU 43 lone 1 81 - 1 - HB2 GLU 95 - HB3 GLU 43 lone 1 73 - 1 - HB3 GLN 50 - HB3 GLU 43 lone 1 81 - 1 - HG2 GLU 75 - HB3 GLU 43 lone 1 73 - 1 - Peak 1975 from cnoeabs.peaks (2.32, 2.06, 29.24 ppm; 2.71 A): 2 out of 6 assignments used, quality = 0.87: * HG3 GLU 43 + HB3 GLU 43 OK 85 100 - 85 - 3.0=74, 1.8/1974=18...(14) HB2 TYR 41 + HB3 GLU 43 OK 17 96 - 18 - 1967/1.8=4, 6696/4.0=4...(7) HG2 GLU 48 - HB3 GLU 43 lone 9 90 - 10 - 1967/1.8=2, 4.9/1976=1 HG2 GLU 16 - HB3 GLU 43 lone 7 73 - 9 - 1967/1.8=1 HD3 ARG 81 - HB3 GLU 43 lone 2 81 - 3 - HG3 GLU 69 - HB3 GLU 43 lone 2 65 - 2 - Peak 1976 from cnoeabs.peaks (7.60, 2.06, 29.24 ppm; 3.36 A): 3 out of 3 assignments used, quality = 0.81: * H GLU 44 + HB3 GLU 43 OK 73 100 - 73 - 4.4=44, 1968/1.8=18...(8) H GLU 48 + HB3 GLU 43 OK 20 81 - 25 - 1968/1.8=5, 1990/3.0=4...(8) HD22 ASN 10 + HB3 GLU 43 OK 13 99 - 13 - 1968/1.8=4, 1990/3.0=3...(5) Peak 1977 from cnoeabs.peaks (8.19, 2.19, 36.31 ppm; 3.61 A): 5 out of 12 assignments used, quality = 0.97: * H GLU 43 + HG2 GLU 43 OK 75 100 - 75 - 5.0=37, 1984/1.8=21...(10) H GLU 43 + HG2 GLU 35 OK 41 71 - 59 - 6695=11, 6695/1.8=8...(22) H GLU 43 + HG3 GLU 35 OK 41 71 - 59 - 6695=11, 6695/1.8=8...(22) H ASP 36 + HG2 GLU 35 OK 38 63 - 60 - 6558/2.9=13, 6556/4.9=13...(9) H ASP 36 + HG3 GLU 35 OK 38 63 - 60 - 6558/2.9=13, 6556/4.9=13...(9) H ASP 36 - HG2 GLU 43 OK 37 96 - 40 - 1984/1.8=9, 1970/3.0=7...(10) H LYS 68 - HG2 GLU 43 OK 17 97 - 17 - 1984/1.8=5, 1970/3.0=3...(4) H LYS 68 - HG3 GLU 35 lone 6 65 - 9 - 1540/2.9=2, 1547/2.9=2 H LYS 68 - HG2 GLU 35 lone 6 65 - 9 - 1540/2.9=2, 1547/2.9=2 H PHE 96 - HG2 GLU 43 lone 3 61 - 4 - H PHE 96 - HG3 GLU 35 lone 1 36 - 3 - H PHE 96 - HG2 GLU 35 lone 1 36 - 3 - Peak 1978 from cnoeabs.peaks (3.88, 2.19, 36.31 ppm; 3.12 A): 3 out of 33 assignments used, quality = 0.97: * HA GLU 43 + HG2 GLU 43 OK 84 100 - 84 - 3.7=61, 3.0/1974=15...(13) HA GLU 35 + HG2 GLU 35 OK 56 69 - 82 - 4.1=45, 4023/2.9=9...(24) HA GLU 35 + HG3 GLU 35 OK 56 69 - 82 - 4.1=45, 4023/2.9=9...(24) HA GLU 43 - HG2 GLU 35 OK 37 71 - 52 - 3.0/1974=6, 1535/2.9=5...(22) HA GLU 43 - HG3 GLU 35 OK 37 71 - 52 - 3.0/1974=6, 1535/2.9=5...(22) HA GLU 35 - HG2 GLU 43 OK 32 99 - 32 - 1985/1.8=5, 1971/3.0=4...(12) HA LEU 38 - HG2 GLU 43 OK 30 94 - 33 - 1624/1.8=6, 1971/3.0=4...(14) HA ARG 91 - HG2 GLU 43 OK 15 99 - 15 - 1985/1.8=2, 1971/3.0=2...(6) HA LYS 40 - HG2 GLU 43 OK 11 65 - 17 - 1781/3.0=4, 1780/3.0=3...(6) HA LEU 38 - HG2 GLU 35 OK 11 61 - 18 - 1618/2.9=2, 1535/2.9=2...(7) HA LEU 38 - HG3 GLU 35 OK 11 61 - 18 - 1618/2.9=2, 1535/2.9=2...(7) HA LYS 94 - HG2 GLU 43 poor 10 70 - 14 - 3.0/11007=2, 1963/3.0=2...(6) HA ARG 91 - HG2 GLU 35 poor 8 68 - 13 - 1535/2.9=2, 1542/2.9=2...(4) HA ARG 91 - HG3 GLU 35 poor 8 68 - 13 - 1535/2.9=2, 1542/2.9=2...(4) HA3 GLY 101 - HG2 GLU 43 lone 5 92 - 6 - HA LYS 94 - HG2 GLU 35 lone 4 42 - 9 - 3.0/11007=1 HA LYS 94 - HG3 GLU 35 lone 4 42 - 9 - 3.0/11007=1 HA2 GLY 101 - HG2 GLU 43 lone 3 70 - 4 - HA ALA 89 - HG2 GLU 43 lone 2 65 - 3 - HA LYS 40 - HG2 GLU 35 lone 2 39 - 5 - HA LYS 40 - HG3 GLU 35 lone 2 39 - 5 - HA2 GLY 100 - HG2 GLU 43 lone 2 70 - 3 - HA3 GLY 101 - HG2 GLU 35 lone 2 59 - 3 - HA3 GLY 101 - HG3 GLU 35 lone 2 59 - 3 - HA ALA 89 - HG2 GLU 35 lone 2 39 - 4 - HA ALA 89 - HG3 GLU 35 lone 2 39 - 4 - HB2 SER 102 - HG2 GLU 43 lone 1 90 - 1 - HA2 GLY 101 - HG2 GLU 35 lone 1 42 - 2 - HA2 GLY 101 - HG3 GLU 35 lone 1 42 - 2 - HA2 GLY 100 - HG2 GLU 35 lone 1 42 - 2 - HA2 GLY 100 - HG3 GLU 35 lone 1 42 - 2 - HB2 SER 102 - HG3 GLU 35 lone 0 57 - 1 - HB2 SER 102 - HG2 GLU 35 lone 0 57 - 1 - Peak 1979 from cnoeabs.peaks (1.91, 2.19, 36.31 ppm; 3.41 A): 1 out of 36 assignments used, quality = 1.00: * HB2 GLU 43 + HG2 GLU 43 OK 100 100 - 100 - 3.0=100 HB2 GLU 43 - HG3 GLU 35 OK 44 71 - 63 - 1966=11, 1.8/1974=10...(27) HB2 GLU 43 - HG2 GLU 35 OK 44 71 - 63 - 1966=11, 1.8/1974=10...(27) HG LEU 42 - HG2 GLU 43 OK 22 92 - 24 - 1986/1.8=4, 6689/5.0=4...(10) HB2 LYS 94 - HG2 GLU 43 OK 17 73 - 24 - 1986/1.8=3, 1972/3.0=3...(10) HB ILE 8 - HG2 GLU 43 OK 17 90 - 19 - 1986/1.8=3, ~10607=3...(7) HB3 LEU 14 - HG2 GLU 43 OK 11 99 - 11 - 1986/1.8=2, ~10607=2, 1972/3.0=1 HG LEU 42 - HG3 GLU 35 poor 8 59 - 14 - 10340/2.9=2, 4.9/10591=1...(6) HG LEU 42 - HG2 GLU 35 poor 8 59 - 14 - 10340/2.9=2, 4.9/10591=1...(6) HB2 LYS 94 - HG3 GLU 35 poor 6 44 - 13 - 4.0/11007=1 HB2 LYS 94 - HG2 GLU 35 poor 6 44 - 13 - 4.0/11007=1 HB3 LYS 47 - HG2 GLU 43 lone 5 65 - 8 - 4.7/1983=2, 1986/1.8=1 HB3 LYS 13 - HG2 GLU 43 lone 5 96 - 5 - HB2 LYS 20 - HG2 GLU 43 lone 5 70 - 7 - 1986/1.8=1 HB2 LYS 13 - HG2 GLU 43 lone 4 92 - 5 - HB ILE 8 - HG2 GLU 35 lone 3 57 - 6 - HB ILE 8 - HG3 GLU 35 lone 3 57 - 6 - HB3 LEU 14 - HG2 GLU 35 lone 3 69 - 4 - HB3 LEU 14 - HG3 GLU 35 lone 3 69 - 4 - HB3 LYS 33 - HG2 GLU 43 lone 2 94 - 2 - HB2 ARG 19 - HG2 GLU 43 lone 2 81 - 3 - HB2 LYS 33 - HG2 GLU 43 lone 2 90 - 2 - HB3 LYS 47 - HG2 GLU 35 lone 2 39 - 5 - HB3 LYS 47 - HG3 GLU 35 lone 2 39 - 5 - HB2 LYS 20 - HG2 GLU 35 lone 1 42 - 3 - HB2 LYS 20 - HG3 GLU 35 lone 1 42 - 3 - HB3 LYS 13 - HG3 GLU 35 lone 1 63 - 2 - HB3 LYS 13 - HG2 GLU 35 lone 1 63 - 2 - HB2 LYS 13 - HG2 GLU 35 lone 1 59 - 2 - HB2 LYS 13 - HG3 GLU 35 lone 1 59 - 2 - HB2 ARG 19 - HG3 GLU 35 lone 1 50 - 1 - HB2 ARG 19 - HG2 GLU 35 lone 1 50 - 1 - HB3 LYS 33 - HG2 GLU 35 lone 0 61 - 1 - HB3 LYS 33 - HG3 GLU 35 lone 0 61 - 1 - HB2 LYS 33 - HG2 GLU 35 lone 0 57 - 1 - HB2 LYS 33 - HG3 GLU 35 lone 0 57 - 1 - Peak 1980 from cnoeabs.peaks (2.06, 2.19, 36.31 ppm; 2.48 A): 5 out of 30 assignments used, quality = 0.93: * HB3 GLU 43 + HG2 GLU 43 OK 71 100 - 71 - 3.0=56, 1975/1.8=19...(8) HB3 GLU 35 + HG3 GLU 35 OK 34 44 - 76 - 2.9=60, 1.8/1538=8...(19) HB3 GLU 35 + HG2 GLU 35 OK 34 44 - 76 - 2.9=60, 1.8/1538=8...(19) HB3 LEU 38 + HG2 GLU 43 OK 29 96 - 30 - 1987/1.8=5, 1965/3.0=3...(16) HB3 GLU 43 + HG3 GLU 35 OK 28 71 - 40 - 1974=10, 1974/1.8=7...(11) HB3 GLU 43 - HG2 GLU 35 OK 28 71 - 40 - 1974=10, 1974/1.8=7...(11) HB3 GLU 35 - HG2 GLU 43 OK 17 73 - 23 - 1987/1.8=3, 1.8/1539=3...(12) HB3 LEU 38 - HG3 GLU 35 poor 7 63 - 11 - HB3 LEU 38 - HG2 GLU 35 poor 7 63 - 11 - HB2 MET 74 - HG2 GLU 43 lone 6 100 - 6 - 1987/1.8=1 HB2 GLU 16 - HG2 GLU 43 lone 6 90 - 7 - 1987/1.8=1 HB2 MET 74 - HG2 GLU 35 lone 5 70 - 7 - 3340/2.9=1 HB2 MET 74 - HG3 GLU 35 lone 5 70 - 7 - 3340/2.9=1 HB3 GLU 48 - HG2 GLU 43 lone 5 70 - 7 - 1987/1.8=1 HB2 GLU 16 - HG3 GLU 35 lone 3 57 - 6 - HB2 GLU 16 - HG2 GLU 35 lone 3 57 - 6 - HB3 GLU 88 - HG2 GLU 35 lone 2 52 - 4 - HB3 GLU 88 - HG3 GLU 35 lone 2 52 - 4 - HB3 GLU 88 - HG2 GLU 43 lone 2 84 - 2 - HG3 GLU 28 - HG2 GLU 43 lone 1 100 - 1 - HG2 GLU 28 - HG2 GLU 43 lone 1 100 - 1 - HB2 MET 21 - HG2 GLU 43 lone 0 81 - 1 - HB3 GLU 48 - HG3 GLU 35 lone 0 42 - 1 - HB3 GLU 48 - HG2 GLU 35 lone 0 42 - 1 - HG3 GLU 28 - HG3 GLU 35 lone 0 70 - 0 - HG3 GLU 28 - HG2 GLU 35 lone 0 70 - 0 - HG2 GLU 28 - HG3 GLU 35 lone 0 70 - 0 - HG2 GLU 28 - HG2 GLU 35 lone 0 70 - 0 - HB2 MET 21 - HG2 GLU 35 lone 0 50 - 0 - HB2 MET 21 - HG3 GLU 35 lone 0 50 - 0 - Peak 1981 from cnoeabs.peaks (2.19, 2.19, 36.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLU 43 + HG2 GLU 43 OK 100 100 - 100 HG3 GLU 35 + HG3 GLU 35 OK 63 63 - 100 HG2 GLU 35 + HG2 GLU 35 OK 63 63 - 100 Peak 1982 from cnoeabs.peaks (2.32, 2.19, 36.31 ppm; 2.64 A): 1 out of 18 assignments used, quality = 1.00: * HG3 GLU 43 + HG2 GLU 43 OK 100 100 - 100 - 1.8=100 HG3 GLU 43 - HG2 GLU 35 OK 24 71 - 35 - 1988=8, 1988/1.8=5...(11) HG3 GLU 43 - HG3 GLU 35 OK 24 71 - 35 - 1988=8, 1988/1.8=5...(11) HB2 TYR 41 - HG2 GLU 43 OK 13 96 - 14 - 1967/3.0=3, 1975/3.0=3...(7) HG2 GLU 48 - HG2 GLU 43 lone 7 90 - 8 - 1975/3.0=1, 1967/3.0=1 HG2 GLU 16 - HG2 GLU 43 lone 5 73 - 7 - 1975/3.0=1, 1967/3.0=1 HG2 GLU 16 - HG2 GLU 35 lone 3 44 - 6 - HG2 GLU 16 - HG3 GLU 35 lone 3 44 - 6 - HD3 ARG 81 - HG2 GLU 43 lone 2 81 - 3 - HB2 TYR 41 - HG2 GLU 35 lone 2 63 - 4 - HB2 TYR 41 - HG3 GLU 35 lone 2 63 - 4 - HG3 GLU 69 - HG2 GLU 43 lone 1 65 - 1 - HG2 GLU 48 - HG3 GLU 35 lone 1 57 - 1 - HG2 GLU 48 - HG2 GLU 35 lone 1 57 - 1 - HD3 ARG 81 - HG3 GLU 35 lone 0 50 - 0 - HD3 ARG 81 - HG2 GLU 35 lone 0 50 - 0 - HG3 GLU 69 - HG2 GLU 35 lone 0 39 - 1 - HG3 GLU 69 - HG3 GLU 35 lone 0 39 - 1 - Peak 1983 from cnoeabs.peaks (7.60, 2.19, 36.31 ppm; 4.31 A): 5 out of 9 assignments used, quality = 0.93: * H GLU 44 + HG2 GLU 43 OK 75 100 - 75 - 1976/3.0=27, 1968/3.0=22...(8) H GLU 44 + HG2 GLU 35 OK 32 71 - 45 - 6708=8, 4.4/1974=7...(11) H GLU 44 + HG3 GLU 35 OK 32 71 - 45 - 6708=8, 4.4/1974=7...(11) H GLU 48 + HG2 GLU 43 OK 26 81 - 33 - 1990/1.8=8, 1976/3.0=7...(8) HD22 ASN 10 + HG2 GLU 43 OK 21 99 - 20 - 1990/1.8=6, 1976/3.0=5...(5) H GLU 48 - HG2 GLU 35 lone 3 50 - 6 - H GLU 48 - HG3 GLU 35 lone 3 50 - 6 - HD22 ASN 10 - HG3 GLU 35 lone 2 69 - 3 - HD22 ASN 10 - HG2 GLU 35 lone 2 69 - 3 - Peak 1984 from cnoeabs.peaks (8.19, 2.32, 36.31 ppm; 3.72 A): 3 out of 4 assignments used, quality = 0.90: * H GLU 43 + HG3 GLU 43 OK 81 100 - 81 - 5.0=41, 1970/3.0=20...(17) H ASP 36 + HG3 GLU 43 OK 35 96 - 37 - 1970/3.0=8, 1962/3.0=7...(9) H LYS 68 + HG3 GLU 43 OK 18 97 - 19 - 1970/3.0=4, 1962/3.0=4...(6) H PHE 96 - HG3 GLU 43 lone 2 61 - 3 - Peak 1985 from cnoeabs.peaks (3.88, 2.32, 36.31 ppm; 3.47 A): 3 out of 11 assignments used, quality = 0.99: * HA GLU 43 + HG3 GLU 43 OK 95 100 - 95 - 3.7=84, 3.0/1975=23...(19) HA GLU 35 + HG3 GLU 43 OK 48 99 - 49 - 1956=6, 3.6/1984=5...(21) HA LEU 38 + HG3 GLU 43 OK 46 94 - 50 - 1624=7, 3.0/1987=6...(18) HA ARG 91 - HG3 GLU 43 OK 19 99 - 19 - 1956=3, 1971/3.0=2...(8) HA LYS 40 - HG3 GLU 43 OK 19 65 - 29 - 1781/3.0=5, 3.6/6655=4...(9) HA LYS 94 - HG3 GLU 43 OK 12 70 - 18 - 3.7/10605=2, 3.0/1986=2...(6) HA3 GLY 101 - HG3 GLU 43 lone 6 92 - 6 - HA2 GLY 101 - HG3 GLU 43 lone 4 70 - 5 - HA ALA 89 - HG3 GLU 43 lone 3 65 - 5 - 2.1/10605=1 HA2 GLY 100 - HG3 GLU 43 lone 3 70 - 4 - HB2 SER 102 - HG3 GLU 43 lone 1 90 - 1 - Peak 1986 from cnoeabs.peaks (1.91, 2.32, 36.31 ppm; 3.40 A): 1 out of 12 assignments used, quality = 1.00: * HB2 GLU 43 + HG3 GLU 43 OK 100 100 - 100 - 3.0=100 HG LEU 42 - HG3 GLU 43 OK 24 92 - 27 - 2.1/10607=5, 6689/5.0=4...(11) HB ILE 8 - HG3 GLU 43 OK 17 90 - 19 - 3.2/10607=4, 1972/3.0=2...(7) HB2 LYS 94 - HG3 GLU 43 OK 16 73 - 22 - 2.9/10605=3, 1972/3.0=3...(10) HB3 LEU 14 - HG3 GLU 43 OK 12 99 - 12 - 3.1/10607=3, 3.0/10605=1...(4) HB3 LYS 47 - HG3 GLU 43 poor 7 65 - 10 - 4.7/1990=3, 1972/3.0=1 HB2 LYS 20 - HG3 GLU 43 lone 6 70 - 8 - 3.0/10603=1, 3.0/10604=1 HB3 LYS 13 - HG3 GLU 43 lone 5 96 - 5 - HB2 LYS 13 - HG3 GLU 43 lone 4 92 - 4 - HB2 ARG 19 - HG3 GLU 43 lone 2 81 - 3 - HB3 LYS 33 - HG3 GLU 43 lone 2 94 - 2 - HB2 LYS 33 - HG3 GLU 43 lone 2 90 - 2 - Peak 1987 from cnoeabs.peaks (2.06, 2.32, 36.31 ppm; 3.08 A): 2 out of 10 assignments used, quality = 1.00: * HB3 GLU 43 + HG3 GLU 43 OK 100 100 - 100 - 3.0=100 HB3 LEU 38 + HG3 GLU 43 OK 45 96 - 48 - 1965/3.0=5, 3.0/1624=5...(24) HB3 GLU 35 - HG3 GLU 43 OK 30 73 - 42 - 2.9/1988=5, 2.9/1988=5...(18) HB2 MET 74 - HG3 GLU 43 OK 14 100 - 14 - 4.2/10280=6, 1965/3.0=1 HB3 GLU 48 - HG3 GLU 43 OK 10 70 - 15 - 4.0/1990=3, 1.8/2234=2...(4) HB2 GLU 16 - HG3 GLU 43 poor 10 90 - 11 - 1965/3.0=1 HB3 GLU 88 - HG3 GLU 43 lone 3 84 - 4 - HG3 GLU 28 - HG3 GLU 43 lone 2 100 - 2 - HG2 GLU 28 - HG3 GLU 43 lone 2 100 - 2 - HB2 MET 21 - HG3 GLU 43 lone 1 81 - 1 - Peak 1988 from cnoeabs.peaks (2.19, 2.32, 36.31 ppm; 2.40 A): 1 out of 11 assignments used, quality = 1.00: * HG2 GLU 43 + HG3 GLU 43 OK 100 100 - 100 - 1.8=100 HG3 GLU 35 - HG3 GLU 43 OK 25 96 - 27 - 1982=5, 1974/3.0=4...(10) HG2 GLU 35 - HG3 GLU 43 OK 25 96 - 27 - 1982=5, 1974/3.0=4...(10) HB2 GLU 63 - HG3 GLU 43 lone 2 94 - 3 - HG3 PRO 86 - HG3 GLU 43 lone 2 97 - 2 - HG2 MET 1 - HG3 GLU 43 lone 2 92 - 3 - HB3 GLU 75 - HG3 GLU 43 lone 1 100 - 1 - HB3 GLN 50 - HG3 GLU 43 lone 1 81 - 1 - HB2 GLU 95 - HG3 GLU 43 lone 1 73 - 1 - HG3 GLU 75 - HG3 GLU 43 lone 1 81 - 1 - HG2 GLU 75 - HG3 GLU 43 lone 0 73 - 1 - Peak 1989 from cnoeabs.peaks (2.32, 2.32, 36.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 43 + HG3 GLU 43 OK 100 100 - 100 Peak 1990 from cnoeabs.peaks (7.60, 2.32, 36.31 ppm; 4.73 A): 3 out of 3 assignments used, quality = 0.91: * H GLU 44 + HG3 GLU 43 OK 82 100 - 82 - 1976/3.0=30, 1968/3.0=26...(10) H GLU 48 + HG3 GLU 43 OK 35 81 - 43 - 1976/3.0=8, 1968/3.0=8...(14) HD22 ASN 10 + HG3 GLU 43 OK 23 99 - 23 - 1976/3.0=6, 1968/3.0=6...(5) Peak 1991 from cnoeabs.peaks (7.60, 3.94, 58.87 ppm; 3.50 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 44 + HA GLU 44 OK 100 100 - 100 - 3.0=100 H GLU 48 - HA GLU 44 OK 29 81 - 36 - 4.6/1998=9, 4.7/1999=7...(11) HD22 ASN 10 - HA GLU 44 lone 9 99 - 9 - 2024/4.0=1 Peak 1992 from cnoeabs.peaks (3.94, 3.94, 58.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 44 + HA GLU 44 OK 100 100 - 100 Peak 1993 from cnoeabs.peaks (2.00, 3.94, 58.87 ppm; 2.90 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 44 + HA GLU 44 OK 96 100 - 96 - 3.0=89, 3.0/1996=12...(20) HB3 GLU 44 + HA GLU 44 OK 96 100 - 96 - 3.0=89, 3.0/1996=12...(20) QE MET 74 - HA GLU 44 OK 16 100 - 16 - 9589/3.0=8, 4.2/1999=2 HB2 GLU 35 - HA GLU 44 lone 9 97 - 10 - 6711/3.0=2, ~6707=1, ~6708=1 HB3 MET 1 - HA GLU 44 lone 7 100 - 7 - 1.8/2000=1 HB3 GLU 17 - HA GLU 44 lone 6 98 - 6 - HB2 GLU 62 - HA GLU 44 lone 1 77 - 1 - Peak 1994 from cnoeabs.peaks (2.00, 3.94, 58.87 ppm; 2.90 A): 2 out of 7 assignments used, quality = 1.00: HB2 GLU 44 + HA GLU 44 OK 96 100 - 96 - 3.0=89, 3.0/1996=12...(20) * HB3 GLU 44 + HA GLU 44 OK 96 100 - 96 - 3.0=89, 3.0/1996=12...(20) QE MET 74 - HA GLU 44 OK 16 100 - 16 - 9589/3.0=8, 4.2/1999=2 HB2 GLU 35 - HA GLU 44 lone 9 97 - 10 - 6711/3.0=2, ~6707=1, ~6708=1 HB3 MET 1 - HA GLU 44 lone 7 100 - 7 - 1.8/2000=1 HB3 GLU 17 - HA GLU 44 lone 6 98 - 6 - HB2 GLU 62 - HA GLU 44 lone 1 77 - 1 - Peak 1995 from cnoeabs.peaks (2.13, 3.94, 58.87 ppm; 3.60 A): 2 out of 10 assignments used, quality = 0.95: * HG2 GLU 44 + HA GLU 44 OK 93 100 - 93 - 4.0=75, 1.8/1996=26...(12) HG2 GLU 69 + HA GLU 44 OK 33 96 - 34 - 1.8/1996=8, 2018=7...(12) HB3 GLU 69 - HA GLU 44 OK 30 96 - 31 - 3.0/1996=6, 3.0/2018=4...(12) HB2 GLU 69 - HA GLU 44 OK 30 96 - 31 - 3.0/1996=6, 3.0/2018=4...(12) HB3 GLU 37 - HA GLU 44 lone 8 94 - 8 - ~6703=2, 1.8/1999=2, 6713/3.0=1 HG2 GLU 88 - HA GLU 44 lone 3 97 - 3 - HB2 GLU 75 - HA GLU 44 lone 3 100 - 2 - HB2 PRO 86 - HA GLU 44 lone 2 77 - 2 - HB3 GLU 23 - HA GLU 44 lone 1 61 - 1 - HG2 GLU 104 - HA GLU 44 lone 1 84 - 1 - Peak 1996 from cnoeabs.peaks (2.35, 3.94, 58.87 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.95: * HG3 GLU 44 + HA GLU 44 OK 95 100 - 95 - 4.0=79, 2024/3.0=21...(15) HG3 GLU 69 - HA GLU 44 OK 29 84 - 35 - 6714/3.0=6, 1.8/1995=6...(14) HG2 GLU 16 - HA GLU 44 lone 7 77 - 9 - 6714/3.0=2, 6727/3.6=1...(4) Peak 1997 from cnoeabs.peaks (8.26, 3.94, 58.87 ppm; 4.33 A): 1 out of 5 assignments used, quality = 1.00: * H PHE 45 + HA GLU 44 OK 100 100 - 100 - 3.6=100 H ALA 71 - HA GLU 44 OK 40 100 - 40 - 6715/3.0=11, 2030/4.0=6...(9) H LYS 94 - HA GLU 44 OK 37 99 - 37 - 6715/3.0=9, 3.0/4182=7...(13) H GLU 23 - HA GLU 44 lone 4 73 - 5 - H LEU 27 - HA GLU 44 lone 2 61 - 3 - Peak 1998 from cnoeabs.peaks (7.47, 3.94, 58.87 ppm; 4.29 A): 3 out of 6 assignments used, quality = 0.83: * H LYS 47 + HA GLU 44 OK 76 100 - 76 - 6758=30, 4.0/1999=13...(15) HE ARG 46 + HA GLU 44 OK 19 100 - 19 - 6.8/6740=6, 4.5/1999=4...(4) H ARG 91 + HA GLU 44 OK 16 100 - 16 - 10980/3.6=5...(6) HD22 ASN 26 - HA GLU 44 lone 3 99 - 3 - HE ARG 19 - HA GLU 44 lone 1 57 - 2 - HZ2 TRP 92 - HA GLU 44 lone 1 61 - 1 - Peak 1999 from cnoeabs.peaks (1.97, 3.94, 58.87 ppm; 2.98 A): 4 out of 10 assignments used, quality = 0.60: * HB2 LYS 47 + HA GLU 44 OK 41 100 - 41 - 1.8/2000=9, 4.0/1998=7...(13) HB2 ARG 46 + HA GLU 44 OK 13 98 - 14 - 4.7/1998=6, 4.0/6740=5 HB3 ARG 46 + HA GLU 44 OK 13 94 - 14 - 4.7/1998=6, 4.0/6740=5 HB3 MET 74 + HA GLU 44 OK 12 98 - 12 - 3348/3.0=3, 3348/3.0=3...(5) QE MET 1 - HA GLU 44 lone 6 96 - 6 - 39/3.0=1, 39/3.0=1 HB2 LYS 24 - HA GLU 44 lone 4 98 - 4 - HB3 LYS 24 - HA GLU 44 lone 4 98 - 4 - HB2 GLU 37 - HA GLU 44 lone 4 94 - 4 - ~6703=1 HB2 LYS 73 - HA GLU 44 lone 2 90 - 2 - HB3 LYS 73 - HA GLU 44 lone 2 87 - 2 - Peak 2000 from cnoeabs.peaks (1.92, 3.94, 58.87 ppm; 3.75 A): 3 out of 13 assignments used, quality = 0.80: * HB3 LYS 47 + HA GLU 44 OK 61 100 - 61 - 1.8/1999=18, 4.0/1998=12...(14) HB2 GLU 43 + HA GLU 44 OK 32 65 - 49 - ~1976=13, ~6707=10...(9) HB2 LYS 94 + HA GLU 44 OK 25 100 - 25 - 3.0/4182=5, 2145=4...(9) HB2 MET 1 - HA GLU 44 poor 8 70 - 11 - 4.2/1999=2, 1.8/1993=1 HB2 GLU 17 - HA GLU 44 lone 6 70 - 9 - 1.8/1994=1, 739/3.0=1, 739/3.0=1 HB2 LYS 13 - HA GLU 44 lone 6 96 - 6 - HB3 LYS 13 - HA GLU 44 lone 5 92 - 6 - HB3 LYS 20 - HA GLU 44 lone 3 92 - 3 - HB2 LYS 33 - HA GLU 44 lone 2 97 - 2 - HB3 LYS 33 - HA GLU 44 lone 2 94 - 2 - HB3 ARG 19 - HA GLU 44 lone 2 99 - 2 - HG3 GLU 88 - HA GLU 44 lone 1 61 - 2 - HB VAL 32 - HA GLU 44 lone 1 73 - 1 - Peak 2001 from cnoeabs.peaks (3.93, 2.00, 28.65 ppm; 2.88 A): 2 out of 12 assignments used, quality = 0.98: HA GLU 44 + HB2 GLU 44 OK 87 92 - 95 - 3.0=87, 1994/1.8=12...(18) HA GLU 44 + HB3 GLU 44 OK 87 92 - 95 - 3.0=87, 1994/1.8=12...(18) ! HA TYR 41 - HB2 GLU 44 OK 38 100 - 38 - 1880=9, 1879/3.9=8...(13) HA TYR 41 - HB3 GLU 44 OK 38 100 - 38 - 1880=9, 1879/3.9=8...(13) HB3 SER 9 - HB2 GLU 44 lone 3 100 - 3 - HB3 SER 9 - HB3 GLU 44 lone 3 100 - 3 - HA GLU 44 - HB3 GLU 17 lone 3 41 - 6 - 1994=1 HB3 SER 9 - HB3 GLU 17 lone 1 50 - 3 - ~12230=1 HA GLU 63 - HB2 GLU 44 lone 1 84 - 1 - HA GLU 63 - HB3 GLU 44 lone 1 84 - 1 - HA TYR 41 - HB3 GLU 17 lone 1 50 - 2 - HA GLU 63 - HB3 GLU 17 lone 1 36 - 1 - Peak 2002 from cnoeabs.peaks (7.60, 2.00, 28.65 ppm; 3.10 A): 2 out of 9 assignments used, quality = 0.97: * H GLU 44 + HB2 GLU 44 OK 84 100 - 84 - 3.9=49, 2024/3.0=15...(18) H GLU 44 + HB3 GLU 44 OK 84 100 - 84 - 3.9=49, 2024/3.0=15...(18) H GLU 48 - HB3 GLU 44 poor 9 81 - 11 - 1991/3.0=4, 2024/3.0=2...(4) H GLU 48 - HB2 GLU 44 poor 9 81 - 11 - 1991/3.0=4, 2024/3.0=2...(4) HD22 ASN 10 - HB2 GLU 44 lone 5 99 - 5 - 1991/3.0=1, 2024/3.0=1 HD22 ASN 10 - HB3 GLU 44 lone 5 99 - 5 - 1991/3.0=1, 2024/3.0=1 H GLU 44 - HB3 GLU 17 lone 3 50 - 5 - 6711=1 H GLU 48 - HB3 GLU 17 lone 2 34 - 6 - 6794/3.0=1 HD22 ASN 10 - HB3 GLU 17 lone 1 48 - 2 - Peak 2003 from cnoeabs.peaks (3.94, 2.00, 28.65 ppm; 2.88 A): 2 out of 12 assignments used, quality = 1.00: * HA GLU 44 + HB2 GLU 44 OK 95 100 - 95 - 3.0=87, 1993/1.8=14...(18) HA GLU 44 + HB3 GLU 44 OK 95 100 - 95 - 3.0=87, 1993/1.8=14...(18) HA TYR 41 - HB2 GLU 44 OK 33 92 - 36 - 1880=8, 1879/3.9=6...(13) HA TYR 41 - HB3 GLU 44 OK 33 92 - 36 - 1880=8, 1879/3.9=6...(13) HA GLU 44 - HB3 GLU 17 lone 3 50 - 7 - 1993=1 HB3 SER 9 - HB2 GLU 44 lone 3 90 - 3 - HB3 SER 9 - HB3 GLU 44 lone 3 90 - 3 - HB2 SER 97 - HB2 GLU 44 lone 2 84 - 2 - HB2 SER 97 - HB3 GLU 44 lone 2 84 - 2 - HB3 SER 9 - HB3 GLU 17 lone 1 40 - 2 - ~12230=1 HA TYR 41 - HB3 GLU 17 lone 1 41 - 2 - HB2 SER 97 - HB3 GLU 17 lone 0 36 - 0 - Peak 2004 from cnoeabs.peaks (2.00, 2.00, 28.65 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 44 + HB3 GLU 44 OK 100 100 - 100 * HB2 GLU 44 + HB2 GLU 44 OK 100 100 - 100 HB3 GLU 17 + HB3 GLU 17 OK 47 47 - 100 Peak 2005 from cnoeabs.peaks (2.00, 2.00, 28.65 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 44 + HB3 GLU 44 OK 100 100 - 100 HB2 GLU 44 + HB2 GLU 44 OK 100 100 - 100 HB3 GLU 17 + HB3 GLU 17 OK 47 47 - 100 Reference assignment not found: HB3 GLU 44 - HB2 GLU 44 Peak 2006 from cnoeabs.peaks (2.13, 2.00, 28.65 ppm; 2.48 A): 2 out of 30 assignments used, quality = 0.90: * HG2 GLU 44 + HB2 GLU 44 OK 68 100 - 68 - 3.0=57, 2018/3.0=6...(12) HG2 GLU 44 + HB3 GLU 44 OK 68 100 - 68 - 3.0=57, 2018/3.0=6...(12) HG2 GLU 69 - HB3 GLU 44 OK 15 96 - 16 - 1995/3.0=2, 2020=2...(9) HG2 GLU 69 - HB2 GLU 44 OK 15 96 - 16 - 1995/3.0=2, 2019=2...(9) HB2 GLU 69 - HB2 GLU 44 OK 14 96 - 14 - 1995/3.0=2, 2028/3.0=2...(5) HB3 GLU 69 - HB3 GLU 44 OK 14 96 - 14 - 1995/3.0=2, 2028/3.0=2...(5) HB3 GLU 69 - HB2 GLU 44 OK 14 96 - 14 - 1995/3.0=2, 2028/3.0=2...(5) HB2 GLU 69 - HB3 GLU 44 OK 14 96 - 14 - 1995/3.0=2, 2028/3.0=2...(5) HB3 GLU 37 - HB3 GLU 44 lone 2 94 - 3 - HB3 GLU 37 - HB2 GLU 44 lone 2 94 - 3 - HB2 GLU 75 - HB2 GLU 44 lone 2 100 - 2 - HB2 GLU 75 - HB3 GLU 44 lone 2 100 - 2 - HG2 GLU 44 - HB3 GLU 17 lone 2 50 - 3 - HG2 GLU 88 - HB3 GLU 44 lone 1 97 - 1 - HG2 GLU 88 - HB2 GLU 44 lone 1 97 - 1 - HB3 GLU 23 - HB3 GLU 17 lone 1 24 - 4 - ~1019=1, 1027/2.9=1 HG2 GLU 88 - HB3 GLU 17 lone 1 46 - 2 - HB2 PRO 86 - HB3 GLU 44 lone 1 77 - 1 - HB2 PRO 86 - HB2 GLU 44 lone 1 77 - 1 - HB2 PRO 86 - HB3 GLU 17 lone 1 32 - 2 - HB2 GLU 75 - HB3 GLU 17 lone 1 50 - 1 - HB3 GLU 37 - HB3 GLU 17 lone 1 43 - 1 - HB3 GLU 23 - HB2 GLU 44 lone 0 61 - 1 - HB3 GLU 23 - HB3 GLU 44 lone 0 61 - 1 - HG2 GLU 104 - HB2 GLU 44 lone 0 84 - 0 - HG2 GLU 104 - HB3 GLU 44 lone 0 84 - 0 - HG2 GLU 69 - HB3 GLU 17 lone 0 44 - 1 - HB3 GLU 69 - HB3 GLU 17 lone 0 44 - 0 - HB2 GLU 69 - HB3 GLU 17 lone 0 44 - 0 - HG2 GLU 104 - HB3 GLU 17 lone 0 36 - 0 - Peak 2007 from cnoeabs.peaks (2.35, 2.00, 28.65 ppm; 3.15 A): 2 out of 9 assignments used, quality = 1.00: * HG3 GLU 44 + HB2 GLU 44 OK 100 100 - 100 - 3.0=100 HG3 GLU 44 + HB3 GLU 44 OK 100 100 - 100 - 3.0=100 HG3 GLU 69 - HB2 GLU 44 OK 23 84 - 27 - 1996/3.0=5, 6714/3.9=3...(14) HG3 GLU 69 - HB3 GLU 44 OK 23 84 - 27 - 1996/3.0=5, 6714/3.9=3...(14) HG2 GLU 16 - HB3 GLU 17 poor 6 32 - 19 - 6252/4.0=4, 712/2.9=3...(7) HG2 GLU 16 - HB3 GLU 44 lone 4 77 - 5 - 6714/3.9=1, 1996/3.0=1 HG2 GLU 16 - HB2 GLU 44 lone 4 77 - 5 - 6714/3.9=1, 1996/3.0=1 HG3 GLU 44 - HB3 GLU 17 lone 4 50 - 7 - 2027=1 HG3 GLU 69 - HB3 GLU 17 lone 1 36 - 2 - Peak 2008 from cnoeabs.peaks (8.26, 2.00, 28.65 ppm; 3.53 A): 4 out of 15 assignments used, quality = 0.96: * H PHE 45 + HB2 GLU 44 OK 69 100 - 69 - 4.7=44, 6722/3.9=12...(10) H PHE 45 + HB3 GLU 44 OK 69 100 - 69 - 4.7=44, 6722/3.9=12...(10) H ALA 71 + HB3 GLU 44 OK 33 100 - 34 - 6715/3.9=6, 2030/3.0=5...(10) H ALA 71 + HB2 GLU 44 OK 33 100 - 34 - 6715/3.9=6, 2030/3.0=5...(10) H LYS 94 - HB2 GLU 44 OK 18 99 - 19 - 6715/3.9=5, 1997/3.0=4...(5) H LYS 94 - HB3 GLU 44 OK 18 99 - 19 - 6715/3.9=5, 1997/3.0=4...(5) H LYS 94 - HB3 GLU 17 lone 3 48 - 6 - H PHE 45 - HB3 GLU 17 lone 2 50 - 5 - H GLU 23 - HB3 GLU 44 lone 2 73 - 3 - H GLU 23 - HB2 GLU 44 lone 2 73 - 3 - H ALA 71 - HB3 GLU 17 lone 2 50 - 4 - H GLU 23 - HB3 GLU 17 lone 1 30 - 5 - 6358/2.9=2 H LEU 27 - HB2 GLU 44 lone 1 61 - 2 - H LEU 27 - HB3 GLU 44 lone 1 61 - 2 - H LEU 27 - HB3 GLU 17 lone 0 24 - 1 - Peak 2009 from cnoeabs.peaks (3.93, 2.00, 28.65 ppm; 2.88 A): 2 out of 12 assignments used, quality = 0.98: HA GLU 44 + HB2 GLU 44 OK 87 92 - 95 - 3.0=87, 1994/1.8=12...(18) HA GLU 44 + HB3 GLU 44 OK 87 92 - 95 - 3.0=87, 1994/1.8=12...(18) HA TYR 41 - HB2 GLU 44 OK 38 100 - 38 - 1880=9, 1879/3.9=8...(13) ! HA TYR 41 - HB3 GLU 44 OK 38 100 - 38 - 1880=9, 1879/3.9=8...(13) HB3 SER 9 - HB2 GLU 44 lone 3 100 - 3 - HB3 SER 9 - HB3 GLU 44 lone 3 100 - 3 - HA GLU 44 - HB3 GLU 17 lone 3 41 - 6 - 1994=1 HB3 SER 9 - HB3 GLU 17 lone 1 50 - 3 - ~12230=1 HA GLU 63 - HB2 GLU 44 lone 1 84 - 1 - HA GLU 63 - HB3 GLU 44 lone 1 84 - 1 - HA TYR 41 - HB3 GLU 17 lone 1 50 - 2 - HA GLU 63 - HB3 GLU 17 lone 1 36 - 1 - Peak 2010 from cnoeabs.peaks (7.60, 2.00, 28.65 ppm; 3.10 A): 2 out of 9 assignments used, quality = 0.97: H GLU 44 + HB2 GLU 44 OK 84 100 - 84 - 3.9=49, 2024/3.0=15...(18) * H GLU 44 + HB3 GLU 44 OK 84 100 - 84 - 3.9=49, 2024/3.0=15...(18) H GLU 48 - HB3 GLU 44 poor 9 81 - 11 - 1991/3.0=4, 2024/3.0=2...(4) H GLU 48 - HB2 GLU 44 poor 9 81 - 11 - 1991/3.0=4, 2024/3.0=2...(4) HD22 ASN 10 - HB2 GLU 44 lone 5 99 - 5 - 1991/3.0=1, 2024/3.0=1 HD22 ASN 10 - HB3 GLU 44 lone 5 99 - 5 - 1991/3.0=1, 2024/3.0=1 H GLU 44 - HB3 GLU 17 lone 3 50 - 5 - 6711=1 H GLU 48 - HB3 GLU 17 lone 2 34 - 6 - 6794/3.0=1 HD22 ASN 10 - HB3 GLU 17 lone 1 48 - 2 - Peak 2011 from cnoeabs.peaks (3.94, 2.00, 28.65 ppm; 2.88 A): 2 out of 12 assignments used, quality = 1.00: HA GLU 44 + HB2 GLU 44 OK 95 100 - 95 - 3.0=87, 1993/1.8=14...(18) * HA GLU 44 + HB3 GLU 44 OK 95 100 - 95 - 3.0=87, 1993/1.8=14...(18) HA TYR 41 - HB2 GLU 44 OK 33 92 - 36 - 1880=8, 1879/3.9=6...(13) HA TYR 41 - HB3 GLU 44 OK 33 92 - 36 - 1880=8, 1879/3.9=6...(13) HA GLU 44 - HB3 GLU 17 lone 3 50 - 7 - 1993=1 HB3 SER 9 - HB2 GLU 44 lone 3 90 - 3 - HB3 SER 9 - HB3 GLU 44 lone 3 90 - 3 - HB2 SER 97 - HB2 GLU 44 lone 2 84 - 2 - HB2 SER 97 - HB3 GLU 44 lone 2 84 - 2 - HB3 SER 9 - HB3 GLU 17 lone 1 40 - 2 - ~12230=1 HA TYR 41 - HB3 GLU 17 lone 1 41 - 2 - HB2 SER 97 - HB3 GLU 17 lone 0 36 - 0 - Peak 2012 from cnoeabs.peaks (2.00, 2.00, 28.65 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 44 + HB3 GLU 44 OK 100 100 - 100 HB2 GLU 44 + HB2 GLU 44 OK 100 100 - 100 HB3 GLU 17 + HB3 GLU 17 OK 47 47 - 100 Reference assignment not found: HB2 GLU 44 - HB3 GLU 44 Peak 2013 from cnoeabs.peaks (2.00, 2.00, 28.65 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 44 + HB3 GLU 44 OK 100 100 - 100 HB2 GLU 44 + HB2 GLU 44 OK 100 100 - 100 HB3 GLU 17 + HB3 GLU 17 OK 47 47 - 100 Peak 2014 from cnoeabs.peaks (2.13, 2.00, 28.65 ppm; 2.48 A): 2 out of 30 assignments used, quality = 0.90: HG2 GLU 44 + HB2 GLU 44 OK 68 100 - 68 - 3.0=57, 2018/3.0=6...(12) * HG2 GLU 44 + HB3 GLU 44 OK 68 100 - 68 - 3.0=57, 2018/3.0=6...(12) HG2 GLU 69 - HB3 GLU 44 OK 15 96 - 16 - 1995/3.0=2, 2020=2...(9) HG2 GLU 69 - HB2 GLU 44 OK 15 96 - 16 - 1995/3.0=2, 2019=2...(9) HB2 GLU 69 - HB2 GLU 44 OK 14 96 - 14 - 1995/3.0=2, 2028/3.0=2...(5) HB3 GLU 69 - HB3 GLU 44 OK 14 96 - 14 - 1995/3.0=2, 2028/3.0=2...(5) HB3 GLU 69 - HB2 GLU 44 OK 14 96 - 14 - 1995/3.0=2, 2028/3.0=2...(5) HB2 GLU 69 - HB3 GLU 44 OK 14 96 - 14 - 1995/3.0=2, 2028/3.0=2...(5) HB3 GLU 37 - HB3 GLU 44 lone 2 94 - 3 - HB3 GLU 37 - HB2 GLU 44 lone 2 94 - 3 - HB2 GLU 75 - HB2 GLU 44 lone 2 100 - 2 - HB2 GLU 75 - HB3 GLU 44 lone 2 100 - 2 - HG2 GLU 44 - HB3 GLU 17 lone 2 50 - 3 - HG2 GLU 88 - HB3 GLU 44 lone 1 97 - 1 - HG2 GLU 88 - HB2 GLU 44 lone 1 97 - 1 - HB3 GLU 23 - HB3 GLU 17 lone 1 24 - 4 - ~1019=1, 1027/2.9=1 HG2 GLU 88 - HB3 GLU 17 lone 1 46 - 2 - HB2 PRO 86 - HB3 GLU 44 lone 1 77 - 1 - HB2 PRO 86 - HB2 GLU 44 lone 1 77 - 1 - HB2 PRO 86 - HB3 GLU 17 lone 1 32 - 2 - HB2 GLU 75 - HB3 GLU 17 lone 1 50 - 1 - HB3 GLU 37 - HB3 GLU 17 lone 1 43 - 1 - HB3 GLU 23 - HB2 GLU 44 lone 0 61 - 1 - HB3 GLU 23 - HB3 GLU 44 lone 0 61 - 1 - HG2 GLU 104 - HB2 GLU 44 lone 0 84 - 0 - HG2 GLU 104 - HB3 GLU 44 lone 0 84 - 0 - HG2 GLU 69 - HB3 GLU 17 lone 0 44 - 1 - HB3 GLU 69 - HB3 GLU 17 lone 0 44 - 0 - HB2 GLU 69 - HB3 GLU 17 lone 0 44 - 0 - HG2 GLU 104 - HB3 GLU 17 lone 0 36 - 0 - Peak 2015 from cnoeabs.peaks (2.35, 2.00, 28.65 ppm; 3.15 A): 2 out of 9 assignments used, quality = 1.00: HG3 GLU 44 + HB2 GLU 44 OK 100 100 - 100 - 3.0=100 * HG3 GLU 44 + HB3 GLU 44 OK 100 100 - 100 - 3.0=100 HG3 GLU 69 - HB2 GLU 44 OK 23 84 - 27 - 1996/3.0=5, 6714/3.9=3...(14) HG3 GLU 69 - HB3 GLU 44 OK 23 84 - 27 - 1996/3.0=5, 6714/3.9=3...(14) HG2 GLU 16 - HB3 GLU 17 poor 6 32 - 19 - 6252/4.0=4, 712/2.9=3...(7) HG2 GLU 16 - HB3 GLU 44 lone 4 77 - 5 - 6714/3.9=1, 1996/3.0=1 HG2 GLU 16 - HB2 GLU 44 lone 4 77 - 5 - 6714/3.9=1, 1996/3.0=1 HG3 GLU 44 - HB3 GLU 17 lone 4 50 - 7 - 2027=1 HG3 GLU 69 - HB3 GLU 17 lone 1 36 - 2 - Peak 2016 from cnoeabs.peaks (8.26, 2.00, 28.65 ppm; 3.53 A): 4 out of 15 assignments used, quality = 0.96: H PHE 45 + HB2 GLU 44 OK 69 100 - 69 - 4.7=44, 6722/3.9=12...(10) * H PHE 45 + HB3 GLU 44 OK 69 100 - 69 - 4.7=44, 6722/3.9=12...(10) H ALA 71 + HB3 GLU 44 OK 33 100 - 34 - 6715/3.9=6, 2030/3.0=5...(10) H ALA 71 + HB2 GLU 44 OK 33 100 - 34 - 6715/3.9=6, 2030/3.0=5...(10) H LYS 94 - HB2 GLU 44 OK 18 99 - 19 - 6715/3.9=5, 1997/3.0=4...(5) H LYS 94 - HB3 GLU 44 OK 18 99 - 19 - 6715/3.9=5, 1997/3.0=4...(5) H LYS 94 - HB3 GLU 17 lone 3 48 - 6 - H PHE 45 - HB3 GLU 17 lone 2 50 - 5 - H GLU 23 - HB3 GLU 44 lone 2 73 - 3 - H GLU 23 - HB2 GLU 44 lone 2 73 - 3 - H ALA 71 - HB3 GLU 17 lone 2 50 - 4 - H GLU 23 - HB3 GLU 17 lone 1 30 - 5 - 6358/2.9=2 H LEU 27 - HB2 GLU 44 lone 1 61 - 2 - H LEU 27 - HB3 GLU 44 lone 1 61 - 2 - H LEU 27 - HB3 GLU 17 lone 0 24 - 1 - Peak 2017 from cnoeabs.peaks (7.60, 2.13, 35.75 ppm; 4.41 A): 1 out of 6 assignments used, quality = 0.97: * H GLU 44 + HG2 GLU 44 OK 97 100 - 97 - 4.8=79, 2024/1.8=36...(17) H GLU 44 - HG2 GLU 69 OK 30 66 - 45 - 6714/1.8=10, 6713=7...(12) H GLU 48 - HG2 GLU 44 OK 15 81 - 18 - 1991/4.0=7, 2024/1.8=6...(4) HD22 ASN 10 - HG2 GLU 44 lone 9 99 - 8 - 2024/1.8=3, 1991/4.0=2...(4) H GLU 48 - HG2 GLU 69 lone 4 46 - 8 - 6793/1.8=2, ~2227=2, ~2245=1 HD22 ASN 10 - HG2 GLU 69 lone 2 64 - 3 - Peak 2018 from cnoeabs.peaks (3.94, 2.13, 35.75 ppm; 3.88 A): 1 out of 8 assignments used, quality = 0.99: * HA GLU 44 + HG2 GLU 44 OK 99 100 - 99 - 4.0=94, 1996/1.8=29...(12) HA TYR 41 - HG2 GLU 44 OK 35 92 - 38 - 1879/4.8=10, 2025/1.8=9...(9) HA GLU 44 - HG2 GLU 69 OK 29 66 - 44 - 1996/1.8=9, 1995=8...(15) HB3 SER 9 - HG2 GLU 44 lone 4 90 - 4 - 2025/1.8=1, 6701/4.8=1 HA TYR 41 - HG2 GLU 69 lone 4 55 - 7 - 3.6/3116=2, 1879/2017=1 HB2 SER 97 - HG2 GLU 44 lone 2 84 - 2 - HB2 SER 97 - HG2 GLU 69 lone 1 49 - 2 - HB3 SER 9 - HG2 GLU 69 lone 1 53 - 1 - Peak 2019 from cnoeabs.peaks (2.00, 2.13, 35.75 ppm; 3.02 A): 2 out of 14 assignments used, quality = 1.00: * HB2 GLU 44 + HG2 GLU 44 OK 100 100 - 100 - 3.0=100 HB3 GLU 44 + HG2 GLU 44 OK 100 100 - 100 - 3.0=100 HB2 GLU 44 - HG2 GLU 69 OK 19 66 - 28 - 2014=3, 3.0/1995=3...(12) HB3 GLU 44 - HG2 GLU 69 OK 19 66 - 28 - 2006=3, 3.0/1995=3...(12) QE MET 74 - HG2 GLU 44 OK 12 100 - 12 - 9589/4.8=6, 2026/1.8=2 HB3 GLU 17 - HG2 GLU 44 lone 5 98 - 5 - HB3 MET 1 - HG2 GLU 44 lone 4 100 - 4 - HB2 GLU 35 - HG2 GLU 44 lone 4 97 - 4 - 6711/4.8=1 QE MET 74 - HG2 GLU 69 lone 2 66 - 3 - HB2 GLU 62 - HG2 GLU 44 lone 1 77 - 1 - HB3 GLU 17 - HG2 GLU 69 lone 1 62 - 1 - HB2 GLU 35 - HG2 GLU 69 lone 1 61 - 1 - HB3 MET 1 - HG2 GLU 69 lone 0 65 - 1 - HB2 GLU 62 - HG2 GLU 69 lone 0 44 - 0 - Peak 2020 from cnoeabs.peaks (2.00, 2.13, 35.75 ppm; 3.02 A): 2 out of 14 assignments used, quality = 1.00: HB2 GLU 44 + HG2 GLU 44 OK 100 100 - 100 - 3.0=100 * HB3 GLU 44 + HG2 GLU 44 OK 100 100 - 100 - 3.0=100 HB2 GLU 44 - HG2 GLU 69 OK 19 66 - 28 - 2014=3, 3.0/1995=3...(12) HB3 GLU 44 - HG2 GLU 69 OK 19 66 - 28 - 2006=3, 3.0/1995=3...(12) QE MET 74 - HG2 GLU 44 OK 12 100 - 12 - 9589/4.8=6, 2026/1.8=2 HB3 GLU 17 - HG2 GLU 44 lone 5 98 - 5 - HB3 MET 1 - HG2 GLU 44 lone 4 100 - 4 - HB2 GLU 35 - HG2 GLU 44 lone 4 97 - 4 - 6711/4.8=1 QE MET 74 - HG2 GLU 69 lone 2 66 - 3 - HB2 GLU 62 - HG2 GLU 44 lone 1 77 - 1 - HB3 GLU 17 - HG2 GLU 69 lone 1 62 - 1 - HB2 GLU 35 - HG2 GLU 69 lone 1 61 - 1 - HB3 MET 1 - HG2 GLU 69 lone 0 65 - 1 - HB2 GLU 62 - HG2 GLU 69 lone 0 44 - 0 - Peak 2021 from cnoeabs.peaks (2.13, 2.13, 35.75 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 44 + HG2 GLU 44 OK 100 100 - 100 HG2 GLU 69 + HG2 GLU 69 OK 59 59 - 100 Peak 2022 from cnoeabs.peaks (2.35, 2.13, 35.75 ppm; 2.44 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 44 + HG2 GLU 44 OK 100 100 - 100 - 1.8=100 HG3 GLU 69 + HG2 GLU 69 OK 49 49 - 100 - 1.8=100 HG3 GLU 44 - HG2 GLU 69 OK 10 66 - 16 - 2028=4, 2028/3.0=2...(6) HG3 GLU 69 - HG2 GLU 44 poor 9 84 - 11 - 1996/4.0=2, 6714/4.8=1...(6) HG2 GLU 16 - HG2 GLU 69 lone 3 44 - 6 - HG2 GLU 16 - HG2 GLU 44 lone 2 77 - 2 - Peak 2023 from cnoeabs.peaks (8.26, 2.13, 35.75 ppm; 4.61 A): 5 out of 10 assignments used, quality = 0.93: * H PHE 45 + HG2 GLU 44 OK 68 100 - 68 - 3.6/2018=20, 6722/4.8=16...(10) H ALA 71 + HG2 GLU 44 OK 44 100 - 44 - 2030/1.8=10, 6715/4.8=8...(10) H ALA 71 + HG2 GLU 69 OK 29 66 - 45 - 10806/4.1=13, 7166/5.1=9...(10) H PHE 45 + HG2 GLU 69 OK 25 66 - 39 - 3.6/1995=6, 6727/1.8=6...(12) H LYS 94 + HG2 GLU 44 OK 25 99 - 25 - 6715/4.8=7, 2030/1.8=6...(5) H LYS 94 - HG2 GLU 69 poor 6 64 - 10 - 10806/4.1=5 H GLU 23 - HG2 GLU 44 lone 4 73 - 5 - H GLU 23 - HG2 GLU 69 lone 2 41 - 6 - 10805/5.1=2, 10806/4.1=2 H LEU 27 - HG2 GLU 44 lone 2 61 - 4 - H LEU 27 - HG2 GLU 69 lone 1 33 - 2 - Peak 2024 from cnoeabs.peaks (7.60, 2.35, 35.75 ppm; 3.91 A): 2 out of 3 assignments used, quality = 0.91: * H GLU 44 + HG3 GLU 44 OK 89 100 - 90 - 4.8=55, 3.0/1996=23...(15) H GLU 48 + HG3 GLU 44 OK 14 81 - 18 - 1991/4.0=5, 4.6/9029=5...(5) HD22 ASN 10 - HG3 GLU 44 lone 7 99 - 7 - 2017/1.8=2, 1991/4.0=2 Peak 2025 from cnoeabs.peaks (3.94, 2.35, 35.75 ppm; 3.78 A): 1 out of 4 assignments used, quality = 0.97: * HA GLU 44 + HG3 GLU 44 OK 97 100 - 97 - 4.0=87, 3.0/2024=22...(17) HA TYR 41 - HG3 GLU 44 OK 32 92 - 35 - 1879/4.8=10, 1881/3.0=8...(7) HB3 SER 9 - HG3 GLU 44 lone 4 90 - 5 - 6701/4.8=1 HB2 SER 97 - HG3 GLU 44 lone 2 84 - 2 - Peak 2026 from cnoeabs.peaks (2.00, 2.35, 35.75 ppm; 3.02 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 44 + HG3 GLU 44 OK 100 100 - 100 - 3.0=100 HB3 GLU 44 + HG3 GLU 44 OK 100 100 - 100 - 3.0=100 QE MET 74 - HG3 GLU 44 OK 13 100 - 13 - 9589/4.8=6, 2019/1.8=1 HB3 GLU 17 - HG3 GLU 44 lone 6 98 - 6 - HB2 GLU 35 - HG3 GLU 44 lone 4 97 - 4 - 6712/4.8=1 HB3 MET 1 - HG3 GLU 44 lone 4 100 - 4 - HB2 GLU 62 - HG3 GLU 44 lone 1 77 - 1 - Peak 2027 from cnoeabs.peaks (2.00, 2.35, 35.75 ppm; 3.02 A): 2 out of 7 assignments used, quality = 1.00: HB2 GLU 44 + HG3 GLU 44 OK 100 100 - 100 - 3.0=100 * HB3 GLU 44 + HG3 GLU 44 OK 100 100 - 100 - 3.0=100 QE MET 74 - HG3 GLU 44 OK 13 100 - 13 - 9589/4.8=6, 2019/1.8=1 HB3 GLU 17 - HG3 GLU 44 lone 6 98 - 6 - HB2 GLU 35 - HG3 GLU 44 lone 4 97 - 4 - 6712/4.8=1 HB3 MET 1 - HG3 GLU 44 lone 4 100 - 4 - HB2 GLU 62 - HG3 GLU 44 lone 1 77 - 1 - Peak 2028 from cnoeabs.peaks (2.13, 2.35, 35.75 ppm; 2.40 A): 1 out of 10 assignments used, quality = 1.00: * HG2 GLU 44 + HG3 GLU 44 OK 100 100 - 100 - 1.8=100 HB2 GLU 69 - HG3 GLU 44 OK 13 96 - 13 - 3108=1, 1.8/3100=1...(5) HB3 GLU 69 - HG3 GLU 44 OK 13 96 - 13 - 3108=1, 1.8/3100=1...(5) HG2 GLU 69 - HG3 GLU 44 OK 12 96 - 13 - 2022=3, 1995/4.0=1...(4) HB3 GLU 37 - HG3 GLU 44 lone 2 94 - 2 - HB2 GLU 75 - HG3 GLU 44 lone 1 100 - 1 - HB2 PRO 86 - HG3 GLU 44 lone 1 77 - 1 - HG2 GLU 88 - HG3 GLU 44 lone 1 97 - 1 - HG2 GLU 104 - HG3 GLU 44 lone 0 84 - 0 - HB3 GLU 23 - HG3 GLU 44 lone 0 61 - 0 - Peak 2029 from cnoeabs.peaks (2.35, 2.35, 35.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 44 + HG3 GLU 44 OK 100 100 - 100 Peak 2030 from cnoeabs.peaks (8.26, 2.35, 35.75 ppm; 5.14 A): 3 out of 5 assignments used, quality = 0.94: * H PHE 45 + HG3 GLU 44 OK 81 100 - 81 - 3.6/1996=30, 4.6/2024=26...(12) H ALA 71 + HG3 GLU 44 OK 56 100 - 56 - 4.1/10185=11, 6727=10...(10) H LYS 94 + HG3 GLU 44 OK 31 99 - 32 - 6715/4.8=8, 1997/4.0=7...(9) H GLU 23 - HG3 GLU 44 lone 5 73 - 6 - H LEU 27 - HG3 GLU 44 lone 3 61 - 5 - Peak 2031 from cnoeabs.peaks (8.26, 4.52, 55.95 ppm; 3.99 A): 1 out of 5 assignments used, quality = 1.00: * H PHE 45 + HA PHE 45 OK 100 100 - 100 - 3.0=100 H ALA 71 - HA PHE 45 OK 31 100 - 31 - 6728=7, 6741/3.6=5...(10) H LYS 94 - HA PHE 45 OK 19 99 - 19 - 6741/3.6=4, 2040/3.0=3...(7) H GLU 23 - HA PHE 45 lone 3 73 - 4 - H LEU 27 - HA PHE 45 lone 3 61 - 4 - 4.7/8996=1 Peak 2032 from cnoeabs.peaks (4.52, 4.52, 55.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 45 + HA PHE 45 OK 100 100 - 100 Peak 2033 from cnoeabs.peaks (2.98, 4.52, 55.95 ppm; 3.28 A): 2 out of 7 assignments used, quality = 1.00: * HB2 PHE 45 + HA PHE 45 OK 100 100 - 100 - 3.0=100 HB3 PHE 45 + HA PHE 45 OK 73 73 - 100 - 3.0=100 HE2 LYS 47 - HA PHE 45 OK 10 94 - 11 - 6.6/6760=4, 6743/3.6=2 HE3 LYS 47 - HA PHE 45 OK 10 94 - 11 - 6.6/6760=4, 6743/3.6=2 HB2 SER 9 - HA PHE 45 lone 6 96 - 7 - 6743/3.6=1 HB3 ASP 11 - HA PHE 45 lone 3 90 - 3 - HE3 LYS 12 - HA PHE 45 lone 1 65 - 2 - Peak 2034 from cnoeabs.peaks (2.97, 4.52, 55.95 ppm; 3.29 A): 2 out of 10 assignments used, quality = 1.00: * HB3 PHE 45 + HA PHE 45 OK 100 100 - 100 - 3.0=100 HB2 PHE 45 + HA PHE 45 OK 73 73 - 100 - 3.0=100 HE3 LYS 47 - HA PHE 45 OK 11 97 - 11 - 6.6/6760=4, 6744/3.6=2 HE2 LYS 47 - HA PHE 45 OK 11 97 - 11 - 6.6/6760=4, 6744/3.6=2 HE3 LYS 24 - HA PHE 45 lone 3 99 - 3 - HE2 LYS 24 - HA PHE 45 lone 3 99 - 3 - HE2 LYS 13 - HA PHE 45 lone 3 97 - 3 - HE3 LYS 13 - HA PHE 45 lone 2 94 - 3 - HE3 LYS 12 - HA PHE 45 lone 2 100 - 2 - HE2 LYS 73 - HA PHE 45 lone 1 73 - 1 - Peak 2035 from cnoeabs.peaks (6.66, 4.52, 55.95 ppm; 3.34 A): 2 out of 2 assignments used, quality = 0.87: * HD1 PHE 45 + HA PHE 45 OK 64 100 - 64 - 4.2=51, 6731/3.0=9...(6) HD2 PHE 45 + HA PHE 45 OK 63 100 - 63 - 4.2=49, 6731/3.0=9...(6) Peak 2036 from cnoeabs.peaks (6.51, 4.52, 55.95 ppm; 5.53 A): 2 out of 2 assignments used, quality = 0.99: * HE1 PHE 45 + HA PHE 45 OK 89 100 - 89 - 6.3=68, 2.5/2035=25...(10) HE2 PHE 45 + HA PHE 45 OK 89 100 - 89 - 6.4=66, 2.5/2035=25...(10) Peak 2038 from cnoeabs.peaks (8.02, 4.52, 55.95 ppm; 4.71 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 46 + HA PHE 45 OK 100 100 - 100 - 3.6=100 H GLU 16 - HA PHE 45 OK 33 97 - 34 - 6734/3.0=7, 2047/3.0=7...(11) H GLY 101 - HA PHE 45 OK 24 100 - 24 - 6734/3.0=6, ~11029=6...(6) Peak 2039 from cnoeabs.peaks (3.70, 2.98, 36.68 ppm; 5.26 A): 3 out of 3 assignments used, quality = 0.92: * HA LEU 42 + HB2 PHE 45 OK 84 100 - 85 - 2048/1.8=25, 1907=24...(16) HA GLU 37 + HB2 PHE 45 OK 27 99 - 27 - 2048/1.8=8, 6737/4.5=6...(6) HA3 GLY 100 + HB2 PHE 45 OK 27 90 - 30 - 2048/1.8=8, 6737/4.5=7...(6) Peak 2040 from cnoeabs.peaks (8.26, 2.98, 36.68 ppm; 4.65 A): 1 out of 5 assignments used, quality = 1.00: * H PHE 45 + HB2 PHE 45 OK 100 100 - 100 - 3.7=100 H ALA 71 - HB2 PHE 45 OK 34 100 - 34 - 2049/1.8=8, 2031/3.0=7...(9) H LYS 94 - HB2 PHE 45 OK 21 99 - 21 - 2049/1.8=5, 2031/3.0=5...(6) H GLU 23 - HB2 PHE 45 lone 4 73 - 5 - 2049/1.8=1 H LEU 27 - HB2 PHE 45 lone 2 61 - 4 - Peak 2041 from cnoeabs.peaks (4.52, 2.98, 36.68 ppm; 4.51 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 45 + HB2 PHE 45 OK 100 100 - 100 - 3.0=100 HA PHE 96 - HB2 PHE 45 OK 25 96 - 26 - 2050/1.8=7, 6728/3.7=4...(10) HA LYS 33 - HB2 PHE 45 OK 16 81 - 20 - 2050/1.8=4, 6742/4.5=2...(9) Peak 2042 from cnoeabs.peaks (2.98, 2.98, 36.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 45 + HB2 PHE 45 OK 100 100 - 100 Peak 2043 from cnoeabs.peaks (2.97, 2.98, 36.68 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: HB2 PHE 45 + HB2 PHE 45 OK 73 73 - 100 Reference assignment not found: HB3 PHE 45 - HB2 PHE 45 Peak 2044 from cnoeabs.peaks (6.66, 2.98, 36.68 ppm; 4.33 A): 2 out of 2 assignments used, quality = 1.00: HD2 PHE 45 + HB2 PHE 45 OK 100 100 - 100 - 3.7=100 * HD1 PHE 45 + HB2 PHE 45 OK 100 100 - 100 - 3.7=100 Peak 2045 from cnoeabs.peaks (6.51, 2.98, 36.68 ppm; 6.50 A): 2 out of 2 assignments used, quality = 1.00: HE2 PHE 45 + HB2 PHE 45 OK 100 100 - 100 - 5.4=100 * HE1 PHE 45 + HB2 PHE 45 OK 100 100 - 100 - 5.4=100 Peak 2047 from cnoeabs.peaks (8.02, 2.98, 36.68 ppm; 4.78 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 46 + HB2 PHE 45 OK 100 100 - 100 - 4.5=100 H GLU 16 - HB2 PHE 45 OK 35 97 - 36 - 2056/1.8=8, 2038/3.0=7...(9) H GLY 101 - HB2 PHE 45 OK 24 100 - 24 - 2056/1.8=6, 6734/3.7=5...(4) Peak 2048 from cnoeabs.peaks (3.70, 2.97, 36.68 ppm; 5.20 A): 3 out of 3 assignments used, quality = 0.89: * HA LEU 42 + HB3 PHE 45 OK 80 100 - 80 - 2039/1.8=24, 1908=22...(14) HA GLU 37 + HB3 PHE 45 OK 26 99 - 26 - 2039/1.8=8, 6737/4.5=6...(6) HA3 GLY 100 + HB3 PHE 45 OK 25 90 - 28 - 2039/1.8=8, 6737/4.5=7...(6) Peak 2049 from cnoeabs.peaks (8.26, 2.97, 36.68 ppm; 4.76 A): 1 out of 5 assignments used, quality = 1.00: * H PHE 45 + HB3 PHE 45 OK 100 100 - 100 - 3.7=100 H ALA 71 - HB3 PHE 45 OK 35 100 - 35 - 2040/1.8=9, 2031/3.0=8...(10) H LYS 94 - HB3 PHE 45 OK 22 99 - 22 - 2040/1.8=5, 2031/3.0=5...(6) H GLU 23 - HB3 PHE 45 lone 4 73 - 6 - 2040/1.8=1 H LEU 27 - HB3 PHE 45 lone 2 61 - 3 - Peak 2050 from cnoeabs.peaks (4.52, 2.97, 36.68 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 45 + HB3 PHE 45 OK 100 100 - 100 - 3.0=100 HA PHE 96 - HB3 PHE 45 OK 25 96 - 26 - 2041/1.8=7, 6728/3.7=4...(10) HA LYS 33 - HB3 PHE 45 OK 16 81 - 19 - 2041/1.8=5, 6742/4.5=2...(9) Peak 2051 from cnoeabs.peaks (2.98, 2.97, 36.68 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: HB3 PHE 45 + HB3 PHE 45 OK 73 73 - 100 Reference assignment not found: HB2 PHE 45 - HB3 PHE 45 Peak 2052 from cnoeabs.peaks (2.97, 2.97, 36.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 45 + HB3 PHE 45 OK 100 100 - 100 Peak 2053 from cnoeabs.peaks (6.66, 2.97, 36.68 ppm; 4.46 A): 2 out of 2 assignments used, quality = 1.00: HD2 PHE 45 + HB3 PHE 45 OK 100 100 - 100 - 3.7=100 * HD1 PHE 45 + HB3 PHE 45 OK 100 100 - 100 - 3.7=100 Peak 2054 from cnoeabs.peaks (6.51, 2.97, 36.68 ppm; 6.50 A): 2 out of 2 assignments used, quality = 1.00: HE2 PHE 45 + HB3 PHE 45 OK 100 100 - 100 - 5.4=100 * HE1 PHE 45 + HB3 PHE 45 OK 100 100 - 100 - 5.4=100 Peak 2056 from cnoeabs.peaks (8.02, 2.97, 36.68 ppm; 5.02 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 46 + HB3 PHE 45 OK 100 100 - 100 - 4.5=100 H GLU 16 - HB3 PHE 45 OK 34 97 - 35 - 2047/1.8=10, 2038/3.0=8...(8) H GLY 101 - HB3 PHE 45 OK 26 100 - 25 - 2047/1.8=7, 6734/3.7=6...(4) Peak 2057 from cnoeabs.peaks (8.02, 4.07, 58.19 ppm; 3.47 A): 1 out of 6 assignments used, quality = 1.00: * H ARG 46 + HA ARG 46 OK 100 100 - 100 - 3.0=100 H GLY 101 - HA ARG 46 OK 44 100 - 44 - 2077/3.0=8, 2067/3.0=8...(16) H ARG 46 - HA LYS 66 OK 31 80 - 39 - 6748=10, 4.0/2068=5...(14) H GLU 16 - HA ARG 46 OK 30 97 - 31 - 2067/3.0=5, 2077/3.0=5...(10) H GLY 101 - HA LYS 66 lone 5 80 - 6 - H GLU 16 - HA LYS 66 lone 4 74 - 6 - Peak 2058 from cnoeabs.peaks (4.07, 4.07, 58.19 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ARG 46 + HA ARG 46 OK 100 100 - 100 HA LYS 66 + HA LYS 66 OK 78 78 - 100 Peak 2059 from cnoeabs.peaks (1.97, 4.07, 58.19 ppm; 2.80 A): 2 out of 20 assignments used, quality = 0.98: * HB2 ARG 46 + HA ARG 46 OK 92 100 - 92 - 3.0=82, 2067/3.0=10...(20) HB3 ARG 46 + HA ARG 46 OK 71 77 - 92 - 3.0=82, 3.0/2096=8...(20) HB2 ARG 46 - HA LYS 66 OK 25 80 - 32 - 2068=7, 1.8/2078=6...(11) HB3 ARG 46 - HA LYS 66 OK 16 54 - 30 - 1.8/2068=6, 2078=4...(11) HB2 LYS 47 - HA ARG 46 OK 15 98 - 16 - 2134/3.6=6, 4.7/10188=2 HB2 GLU 37 - HA ARG 46 lone 7 100 - 7 - HB3 MET 74 - HA ARG 46 lone 7 87 - 8 - 2097/4.1=1, 2088/4.1=1 QE MET 1 - HA ARG 46 lone 6 100 - 6 - 8037/3.6=1 HB3 LYS 24 - HA ARG 46 lone 5 87 - 6 - 6770/3.6=1 HB2 LYS 24 - HA ARG 46 lone 5 87 - 6 - 6770/3.6=1 HB2 LYS 47 - HA LYS 66 lone 4 76 - 5 - 4.0/6762=2 HB2 LYS 24 - HA LYS 66 lone 3 63 - 5 - HB3 LYS 24 - HA LYS 66 lone 3 63 - 5 - HB2 GLU 37 - HA LYS 66 lone 2 79 - 2 - HB2 LYS 73 - HA LYS 66 lone 2 48 - 4 - HB2 LYS 73 - HA ARG 46 lone 2 70 - 3 - HB3 LYS 73 - HA LYS 66 lone 2 45 - 4 - HB3 LYS 73 - HA ARG 46 lone 2 65 - 3 - HB3 MET 74 - HA LYS 66 lone 1 63 - 1 - QE MET 1 - HA LYS 66 lone 1 79 - 1 - Peak 2060 from cnoeabs.peaks (1.96, 4.07, 58.19 ppm; 2.76 A): 2 out of 28 assignments used, quality = 0.97: * HB3 ARG 46 + HA ARG 46 OK 91 100 - 91 - 3.0=79, 2077/3.0=10...(20) HB2 ARG 46 + HA ARG 46 OK 69 77 - 90 - 3.0=79, 3.0/2096=8...(20) HB3 ARG 46 - HA LYS 66 OK 25 80 - 31 - 2078=7, 1.8/2068=6...(10) HB2 ARG 46 - HA LYS 66 OK 16 54 - 29 - 1.8/2078=6, 2068=4...(10) HB2 LYS 47 - HA ARG 46 OK 13 94 - 14 - 2134/3.6=5, 4.7/10188=2 HB3 MET 74 - HA ARG 46 lone 7 100 - 7 - 2098/4.1=1, 2089/4.1=1 HB3 LYS 24 - HA ARG 46 lone 6 100 - 6 - 6764/3.6=1 HB2 LYS 24 - HA ARG 46 lone 6 100 - 6 - 6764/3.6=1 HB3 LYS 24 - HA LYS 66 lone 4 79 - 5 - HB2 LYS 24 - HA LYS 66 lone 4 79 - 5 - HB2 GLU 37 - HA ARG 46 lone 4 65 - 5 - HB2 LYS 73 - HA LYS 66 lone 4 79 - 4 - HB3 LYS 73 - HA LYS 66 lone 4 79 - 4 - HB2 MET 1 - HA ARG 46 lone 3 65 - 5 - HB2 LYS 47 - HA LYS 66 lone 3 70 - 5 - 4.0/6762=2 HB2 LYS 73 - HA ARG 46 lone 3 100 - 3 - HB3 LYS 73 - HA ARG 46 lone 3 100 - 3 - QE MET 1 - HA ARG 46 lone 3 70 - 4 - HG3 GLU 88 - HA ARG 46 lone 2 73 - 2 - HB VAL 32 - HA LYS 66 lone 1 42 - 3 - 1395/3.6=1 HB3 MET 74 - HA LYS 66 lone 1 79 - 1 - HB2 GLU 37 - HA LYS 66 lone 1 45 - 2 - HB VAL 32 - HA ARG 46 lone 1 61 - 1 - HB2 GLU 17 - HA ARG 46 lone 1 65 - 1 - HB2 GLU 17 - HA LYS 66 lone 0 45 - 1 - HG3 GLU 88 - HA LYS 66 lone 0 51 - 1 - QE MET 1 - HA LYS 66 lone 0 48 - 1 - HB2 MET 1 - HA LYS 66 lone 0 45 - 1 - Peak 2061 from cnoeabs.peaks (1.82, 4.07, 58.19 ppm; 3.21 A): 3 out of 18 assignments used, quality = 0.94: * HG2 ARG 46 + HA ARG 46 OK 90 100 - 90 - 4.1=50, 1.8/2062=15...(25) HG2 ARG 46 + HA LYS 66 OK 27 80 - 34 - 2087=7, 1.8/2096=6...(8) HB3 LYS 90 + HA ARG 46 OK 25 94 - 27 - 2081/3.0=4, 2071/3.0=4...(12) HB2 LYS 90 - HA ARG 46 OK 21 84 - 26 - 2081/3.0=3, 2071/3.0=3...(13) HB3 LEU 57 - HA ARG 46 OK 17 100 - 17 - 2081/3.0=3, 2071/3.0=3...(8) HB2 LYS 68 - HA LYS 66 OK 17 60 - 28 - 4.6/7119=7, 4.0/7102=7...(8) HB3 LEU 57 - HA LYS 66 OK 11 80 - 14 - 2621/3.7=2, 2621/3.7=2...(5) HB2 LYS 68 - HA ARG 46 OK 11 84 - 12 - 4.6/7119=3, 4.0/7102=3 HB2 LEU 42 - HA ARG 46 poor 9 65 - 13 - ~6737=3, 3.1/9027=2, 6751/3.0=1 HB2 LYS 53 - HA ARG 46 lone 6 73 - 9 - 2071/3.0=2, 2081/3.0=1 HB2 GLU 88 - HA ARG 46 lone 5 73 - 7 - HB3 LYS 90 - HA LYS 66 lone 5 70 - 6 - HB2 LYS 90 - HA LYS 66 lone 3 60 - 5 - HB2 LYS 53 - HA LYS 66 lone 3 51 - 5 - 2403/3.6=1 HB2 GLU 104 - HA LYS 66 lone 3 51 - 5 - ~7060=1 HB2 LEU 42 - HA LYS 66 lone 2 45 - 4 - 3.1/9027=1 HB2 GLU 104 - HA ARG 46 lone 2 73 - 2 - HB2 GLU 88 - HA LYS 66 lone 1 51 - 2 - Peak 2062 from cnoeabs.peaks (1.79, 4.07, 58.19 ppm; 3.18 A): 2 out of 10 assignments used, quality = 0.93: * HG3 ARG 46 + HA ARG 46 OK 90 100 - 90 - 4.1=48, 2082/3.0=18...(26) HB3 GLU 63 + HA LYS 66 OK 34 70 - 48 - 3.0/10240=11, ~2771=5...(17) HG3 ARG 46 - HA LYS 66 OK 27 80 - 34 - 2096=7, 1.8/2087=6...(8) HB3 GLU 63 - HA ARG 46 OK 18 94 - 19 - 3.0/10240=3, 2082/3.0=3...(8) HB2 LYS 39 - HA ARG 46 OK 18 90 - 20 - 2082/3.0=4, 2072/3.0=3...(8) HB VAL 78 - HA ARG 46 lone 10 97 - 10 - 2082/3.0=2, 2072/3.0=2...(5) HB VAL 78 - HA LYS 66 lone 6 74 - 8 - HB2 LYS 39 - HA LYS 66 lone 6 66 - 8 - HB ILE 93 - HA ARG 46 lone 5 73 - 6 - 6766/3.6=1 HB ILE 93 - HA LYS 66 lone 1 51 - 1 - Peak 2063 from cnoeabs.peaks (3.31, 4.07, 58.19 ppm; 4.57 A): 1 out of 2 assignments used, quality = 0.99: * HD2 ARG 46 + HA ARG 46 OK 99 100 - 99 - 5.2=66, 1.8/2114=23...(29) HD2 ARG 46 - HA LYS 66 OK 45 80 - 56 - 2105=15, 1.8/2114=11...(9) Peak 2064 from cnoeabs.peaks (3.19, 4.07, 58.19 ppm; 5.01 A): 2 out of 12 assignments used, quality = 1.00: * HD3 ARG 46 + HA ARG 46 OK 100 100 - 100 - 5.2=87, 1.8/2063=31...(28) HD3 ARG 46 + HA LYS 66 OK 47 80 - 60 - 1.8/2063=14, 2114=14...(9) HB3 TRP 92 - HA ARG 46 OK 30 100 - 30 - 2093/4.1=5, 2074/3.0=5...(8) HB2 HIS 106 - HA ARG 46 OK 25 94 - 27 - 2074/3.0=5, 2084/3.0=5...(9) HD2 ARG 19 - HA ARG 46 OK 20 70 - 28 - 2074/3.0=4, 2084/3.0=4...(11) HD3 ARG 19 - HA ARG 46 OK 20 70 - 28 - 2074/3.0=4, 2084/3.0=4...(11) HD3 ARG 19 - HA LYS 66 OK 18 48 - 37 - ~825=4, ~7069=3, ~816=3...(17) HD2 ARG 19 - HA LYS 66 OK 18 48 - 37 - ~825=4, ~7069=3, ~816=3...(17) HB2 ASP 77 - HA ARG 46 OK 13 77 - 16 - 1.8/10612=3, 2074/3.0=2...(7) HB2 ASP 77 - HA LYS 66 poor 10 54 - 18 - ~7067=6, ~2869=4, 1.8/10612=3 HB3 TRP 92 - HA LYS 66 lone 6 79 - 8 - 10945/9823=1 HB2 HIS 106 - HA LYS 66 lone 3 70 - 5 - Peak 2065 from cnoeabs.peaks (7.47, 4.07, 58.19 ppm; 4.01 A): 3 out of 12 assignments used, quality = 1.00: * H LYS 47 + HA ARG 46 OK 100 100 - 100 - 3.6=100 HE ARG 46 + HA ARG 46 OK 83 100 - 83 - 6.5=24, 2.9/2063=18...(16) H ARG 91 + HA ARG 46 OK 49 100 - 50 - 2085/3.0=7, 2075/3.0=7...(17) HE ARG 46 - HA LYS 66 OK 29 79 - 37 - 2.9/2105=8, 2.9/2114=7...(7) H LYS 47 - HA LYS 66 OK 25 80 - 31 - 6762=8, 4.7/2068=6...(9) H ARG 91 - HA LYS 66 OK 13 79 - 16 - 7442/3.7=2, 7442/3.7=2...(5) HE ARG 19 - HA ARG 46 poor 8 57 - 13 - 2.9/2064=1, 2.9/2064=1...(6) HD22 ASN 26 - HA ARG 46 lone 7 99 - 7 - 2075/3.0=1, 2085/3.0=1 HE ARG 19 - HA LYS 66 poor 5 39 - 12 - 3.6/2872=2, 2.9/2064=1...(5) HZ2 TRP 92 - HA ARG 46 lone 4 61 - 6 - HD22 ASN 26 - HA LYS 66 lone 2 78 - 2 - HZ2 TRP 92 - HA LYS 66 lone 1 42 - 2 - Peak 2066 from cnoeabs.peaks (3.88, 1.97, 29.74 ppm; 3.84 A): 5 out of 11 assignments used, quality = 0.93: HA ARG 91 + HB2 ARG 46 OK 53 99 - 54 - 2076/1.8=8, 1959=7...(19) HA3 GLY 101 + HB2 ARG 46 OK 47 92 - 52 - 3.0/2067=9, 2076/1.8=7...(18) * HA GLU 43 + HB2 ARG 46 OK 41 100 - 42 - 12084/3.6=10, 2076/1.8=6...(12) HA2 GLY 101 + HB2 ARG 46 OK 33 70 - 48 - 3.0/2067=9, ~2077=6...(17) HA LEU 38 + HB2 ARG 46 OK 32 94 - 35 - 2076/1.8=4, 2.9/6581=4...(18) HA GLU 35 - HB2 ARG 46 OK 17 99 - 17 - 2076/1.8=2, 1959=2...(8) HA2 GLY 100 - HB2 ARG 46 OK 13 70 - 19 - 3.6/2067=8, 10174/3.0=2...(7) HA LYS 40 - HB2 ARG 46 OK 11 65 - 17 - 12084/3.6=5, 2076/1.8=2...(7) HA LYS 94 - HB2 ARG 46 lone 7 70 - 9 - 6757/4.7=2, 10174/3.0=1 HA ALA 89 - HB2 ARG 46 lone 5 65 - 8 - 3906/3.6=1 HB2 SER 102 - HB2 ARG 46 lone 3 90 - 3 - Peak 2067 from cnoeabs.peaks (8.02, 1.97, 29.74 ppm; 3.28 A): 3 out of 3 assignments used, quality = 0.94: * H ARG 46 + HB2 ARG 46 OK 85 100 - 85 - 4.0=54, 2077/1.8=20...(14) H GLY 101 + HB2 ARG 46 OK 42 100 - 42 - 2077/1.8=10, 2095/3.0=6...(14) H GLU 16 + HB2 ARG 46 OK 26 97 - 27 - 2077/1.8=6, 2095/3.0=4...(8) Peak 2068 from cnoeabs.peaks (4.07, 1.97, 29.74 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 46 + HB2 ARG 46 OK 100 100 - 100 - 3.0=100 HA LYS 66 - HB2 ARG 46 OK 43 99 - 43 - 2078/1.8=9, 2096/3.0=6...(15) HB2 SER 49 - HB2 ARG 46 OK 14 73 - 20 - 2078/1.8=3, 2096/3.0=2...(10) HA PRO 86 - HB2 ARG 46 lone 7 73 - 9 - 2078/1.8=2, 2087/3.0=1 Peak 2069 from cnoeabs.peaks (1.97, 1.97, 29.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 46 + HB2 ARG 46 OK 100 100 - 100 Peak 2070 from cnoeabs.peaks (1.96, 1.97, 29.74 ppm; diagonal): 1 out of 1 assignment used, quality = 0.77: HB2 ARG 46 + HB2 ARG 46 OK 77 77 - 100 Reference assignment not found: HB3 ARG 46 - HB2 ARG 46 Peak 2071 from cnoeabs.peaks (1.82, 1.97, 29.74 ppm; 2.91 A): 1 out of 9 assignments used, quality = 0.99: * HG2 ARG 46 + HB2 ARG 46 OK 99 100 - 99 - 3.0=94, 2081/1.8=18...(25) HB3 LYS 90 - HB2 ARG 46 OK 28 94 - 30 - 2081/1.8=5, 2099/3.0=3...(13) HB2 LYS 90 - HB2 ARG 46 OK 24 84 - 28 - 2081/1.8=4, 2099/3.0=3...(13) HB3 LEU 57 - HB2 ARG 46 OK 21 100 - 21 - 2081/1.8=3, 2099/3.0=3...(7) HB2 LYS 53 - HB2 ARG 46 OK 14 73 - 19 - 3.6/12114=3, 3.6/12115=3...(7) HB2 LYS 68 - HB2 ARG 46 lone 7 84 - 8 - 2081/1.8=1 HB2 LEU 42 - HB2 ARG 46 lone 6 65 - 9 - 3.1/10341=2 HB2 GLU 88 - HB2 ARG 46 lone 5 73 - 7 - HB2 GLU 104 - HB2 ARG 46 lone 1 73 - 2 - Peak 2072 from cnoeabs.peaks (1.79, 1.97, 29.74 ppm; 2.98 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 46 + HB2 ARG 46 OK 100 100 - 100 - 3.0=100 HB2 LYS 39 - HB2 ARG 46 OK 20 90 - 22 - 2082/1.8=5, 2091/3.0=3...(8) HB3 GLU 63 - HB2 ARG 46 OK 15 94 - 16 - 2082/1.8=3, 2091/3.0=2...(8) HB VAL 78 - HB2 ARG 46 OK 10 97 - 10 - 2082/1.8=2, 2091/3.0=1...(5) HB ILE 93 - HB2 ARG 46 lone 5 73 - 6 - 2082/1.8=1 Peak 2073 from cnoeabs.peaks (3.31, 1.97, 29.74 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 46 + HB2 ARG 46 OK 100 100 - 100 - 3.6=100 Peak 2074 from cnoeabs.peaks (3.19, 1.97, 29.74 ppm; 3.88 A): 1 out of 6 assignments used, quality = 1.00: * HD3 ARG 46 + HB2 ARG 46 OK 100 100 - 100 - 3.6=100 HB3 TRP 92 - HB2 ARG 46 OK 22 100 - 22 - 2084/1.8=5, 2093/3.0=4...(7) HB2 HIS 106 - HB2 ARG 46 OK 21 94 - 23 - 2084/1.8=4, 2102/3.0=4...(11) HD3 ARG 19 - HB2 ARG 46 OK 15 70 - 22 - 2084/1.8=3, 2093/3.0=2...(11) HD2 ARG 19 - HB2 ARG 46 OK 15 70 - 22 - 2084/1.8=3, 2093/3.0=2...(11) HB2 ASP 77 - HB2 ARG 46 poor 8 77 - 11 - 2084/1.8=2, 2102/3.0=2 Peak 2075 from cnoeabs.peaks (7.47, 1.97, 29.74 ppm; 3.87 A): 3 out of 6 assignments used, quality = 0.99: HE ARG 46 + HB2 ARG 46 OK 90 100 - 90 - 4.5=61, 3.6/2071=15...(16) * H LYS 47 + HB2 ARG 46 OK 85 100 - 85 - 4.7=58, 6761/4.0=15...(14) H ARG 91 + HB2 ARG 46 OK 53 100 - 53 - 2085/1.8=8, 7434/3.0=8...(18) HE ARG 19 - HB2 ARG 46 poor 9 57 - 15 - 2.9/2074=3, 2.9/2074=3...(8) HD22 ASN 26 - HB2 ARG 46 lone 8 99 - 7 - 2085/1.8=1 HZ2 TRP 92 - HB2 ARG 46 lone 4 61 - 7 - 6.5/2074=1 Peak 2076 from cnoeabs.peaks (3.88, 1.96, 29.74 ppm; 3.83 A): 5 out of 11 assignments used, quality = 0.93: HA ARG 91 + HB3 ARG 46 OK 52 99 - 53 - 2066/1.8=7, 3.0/2085=6...(18) HA3 GLY 101 + HB3 ARG 46 OK 45 92 - 49 - 3.0/2077=10, 2066/1.8=7...(17) * HA GLU 43 + HB3 ARG 46 OK 40 100 - 41 - 12084/3.6=10, 2066/1.8=6...(11) HA2 GLY 101 + HB3 ARG 46 OK 34 70 - 48 - 3.0/2077=10, ~2067=6...(17) HA LEU 38 + HB3 ARG 46 OK 31 94 - 33 - 2066/1.8=5, 10172/3.0=3...(17) HA GLU 35 - HB3 ARG 46 OK 16 99 - 15 - 2066/1.8=2, 1958/4.0=2...(8) HA2 GLY 100 - HB3 ARG 46 OK 13 70 - 19 - 3.6/2077=8, 10174/3.0=2...(7) HA LYS 40 - HB3 ARG 46 OK 11 65 - 16 - 12084/3.6=5, 2066/1.8=2...(7) HA LYS 94 - HB3 ARG 46 lone 7 70 - 9 - 6757/4.7=1, 10174/3.0=1 HA ALA 89 - HB3 ARG 46 lone 5 65 - 7 - 3906/3.6=1 HB2 SER 102 - HB3 ARG 46 lone 3 90 - 3 - Peak 2077 from cnoeabs.peaks (8.02, 1.96, 29.74 ppm; 3.22 A): 3 out of 3 assignments used, quality = 0.93: * H ARG 46 + HB3 ARG 46 OK 84 100 - 84 - 4.0=51, 2067/1.8=19...(16) H GLY 101 + HB3 ARG 46 OK 42 100 - 42 - 2067/1.8=9, 2095/3.0=6...(15) H GLU 16 + HB3 ARG 46 OK 25 97 - 26 - 2067/1.8=6, 2095/3.0=4...(8) Peak 2078 from cnoeabs.peaks (4.07, 1.96, 29.74 ppm; 3.37 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 46 + HB3 ARG 46 OK 100 100 - 100 - 3.0=100 HA LYS 66 - HB3 ARG 46 OK 41 99 - 41 - 2068/1.8=9, 2096/3.0=6...(14) HB2 SER 49 - HB3 ARG 46 OK 14 73 - 19 - 2068/1.8=3, 2096/3.0=2...(9) HA PRO 86 - HB3 ARG 46 lone 7 73 - 9 - 2068/1.8=2, 2087/3.0=1 Peak 2079 from cnoeabs.peaks (1.97, 1.96, 29.74 ppm; diagonal): 1 out of 1 assignment used, quality = 0.77: HB3 ARG 46 + HB3 ARG 46 OK 77 77 - 100 Reference assignment not found: HB2 ARG 46 - HB3 ARG 46 Peak 2080 from cnoeabs.peaks (1.96, 1.96, 29.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 46 + HB3 ARG 46 OK 100 100 - 100 Peak 2081 from cnoeabs.peaks (1.82, 1.96, 29.74 ppm; 2.80 A): 1 out of 9 assignments used, quality = 0.95: * HG2 ARG 46 + HB3 ARG 46 OK 95 100 - 95 - 3.0=84, 1.8/2082=21...(25) HB3 LYS 90 - HB3 ARG 46 OK 26 94 - 27 - 2071/1.8=4, 2099/3.0=3...(13) HB2 LYS 90 - HB3 ARG 46 OK 22 84 - 26 - 2071/1.8=4, 2099/3.0=2...(12) HB3 LEU 57 - HB3 ARG 46 OK 19 100 - 19 - 2071/1.8=3, 2099/3.0=3...(7) HB2 LYS 53 - HB3 ARG 46 poor 9 73 - 12 - 2071/1.8=2, 2099/3.0=1 HB2 LYS 68 - HB3 ARG 46 lone 6 84 - 7 - 2071/1.8=1 HB2 GLU 88 - HB3 ARG 46 lone 5 73 - 7 - HB2 LEU 42 - HB3 ARG 46 lone 5 65 - 8 - HB2 GLU 104 - HB3 ARG 46 lone 1 73 - 2 - Peak 2082 from cnoeabs.peaks (1.79, 1.96, 29.74 ppm; 2.87 A): 1 out of 5 assignments used, quality = 0.97: * HG3 ARG 46 + HB3 ARG 46 OK 97 100 - 97 - 3.0=90, 1.8/2081=17...(24) HB2 LYS 39 - HB3 ARG 46 OK 19 90 - 21 - 2072/1.8=4, 2091/3.0=2...(8) HB3 GLU 63 - HB3 ARG 46 OK 14 94 - 15 - 2072/1.8=3, 2091/3.0=2...(7) HB VAL 78 - HB3 ARG 46 lone 10 97 - 10 - 2072/1.8=2, 2091/3.0=1...(4) HB ILE 93 - HB3 ARG 46 lone 4 73 - 6 - 2072/1.8=1 Peak 2083 from cnoeabs.peaks (3.31, 1.96, 29.74 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 46 + HB3 ARG 46 OK 100 100 - 100 - 3.6=100 Peak 2084 from cnoeabs.peaks (3.19, 1.96, 29.74 ppm; 3.70 A): 1 out of 6 assignments used, quality = 1.00: * HD3 ARG 46 + HB3 ARG 46 OK 100 100 - 100 - 3.6=100 HB3 TRP 92 - HB3 ARG 46 OK 20 100 - 20 - 2074/1.8=4, 2093/3.0=4...(7) HB2 HIS 106 - HB3 ARG 46 OK 20 94 - 21 - 2074/1.8=4, 2102/3.0=3...(11) HD3 ARG 19 - HB3 ARG 46 OK 14 70 - 20 - 2074/1.8=3, 2093/3.0=2...(9) HD2 ARG 19 - HB3 ARG 46 OK 14 70 - 20 - 2074/1.8=3, 2093/3.0=2...(9) HB2 ASP 77 - HB3 ARG 46 lone 8 77 - 10 - 2074/1.8=2, 2102/3.0=1 Peak 2085 from cnoeabs.peaks (7.47, 1.96, 29.74 ppm; 3.78 A): 3 out of 6 assignments used, quality = 0.99: HE ARG 46 + HB3 ARG 46 OK 90 100 - 90 - 4.5=57, 3.6/2082=21...(16) * H LYS 47 + HB3 ARG 46 OK 82 100 - 83 - 4.7=54, 6761/4.0=15...(15) H ARG 91 + HB3 ARG 46 OK 51 100 - 52 - 7434/3.0=8, 2075/1.8=8...(18) HE ARG 19 - HB3 ARG 46 poor 9 57 - 15 - 2.9/2084=2, 2.9/2084=2...(5) HD22 ASN 26 - HB3 ARG 46 lone 7 99 - 7 - 2075/1.8=1 HZ2 TRP 92 - HB3 ARG 46 lone 4 61 - 6 - 6.5/2084=1 Peak 2086 from cnoeabs.peaks (8.02, 1.82, 26.76 ppm; 4.29 A): 2 out of 3 assignments used, quality = 0.99: * H ARG 46 + HG2 ARG 46 OK 96 100 - 96 - 4.9=66, 6752/1.8=25...(18) H GLY 101 + HG2 ARG 46 OK 61 100 - 61 - 2095/1.8=12, 2077/3.0=11...(16) H GLU 16 - HG2 ARG 46 OK 40 97 - 41 - 2095/1.8=8, 2067/3.0=7...(11) Peak 2087 from cnoeabs.peaks (4.07, 1.82, 26.76 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 46 + HG2 ARG 46 OK 100 100 - 100 - 4.1=100 HA LYS 66 + HG2 ARG 46 OK 47 99 - 47 - 2096/1.8=10, 2068/3.0=9...(8) HB2 SER 49 - HG2 ARG 46 OK 18 73 - 25 - 2096/1.8=4, 2105/3.0=3...(10) HA PRO 86 - HG2 ARG 46 poor 9 73 - 12 - 2096/1.8=2, 2078/3.0=2...(7) Peak 2088 from cnoeabs.peaks (1.97, 1.82, 26.76 ppm; 3.09 A): 2 out of 10 assignments used, quality = 1.00: * HB2 ARG 46 + HG2 ARG 46 OK 100 100 - 100 - 3.0=100 HB3 ARG 46 + HG2 ARG 46 OK 77 77 - 100 - 3.0=100 HB3 MET 74 - HG2 ARG 46 OK 20 87 - 23 - ~12326=6, ~9012=3...(7) HB2 LYS 47 - HG2 ARG 46 OK 18 98 - 18 - 4.0/6765=4, 2097/1.8=3...(7) QE MET 1 - HG2 ARG 46 lone 9 100 - 9 - 2097/1.8=1, 38/3.0=1 HB2 GLU 37 - HG2 ARG 46 lone 9 100 - 9 - 4.6/8853=2 HB3 LYS 24 - HG2 ARG 46 lone 8 87 - 10 - 2097/1.8=1 HB2 LYS 24 - HG2 ARG 46 lone 8 87 - 10 - 2097/1.8=1 HB2 LYS 73 - HG2 ARG 46 lone 3 70 - 4 - HB3 LYS 73 - HG2 ARG 46 lone 3 65 - 4 - Peak 2089 from cnoeabs.peaks (1.96, 1.82, 26.76 ppm; 2.97 A): 2 out of 14 assignments used, quality = 1.00: * HB3 ARG 46 + HG2 ARG 46 OK 100 100 - 100 - 3.0=100 HB2 ARG 46 + HG2 ARG 46 OK 77 77 - 100 - 3.0=100 HB3 MET 74 - HG2 ARG 46 OK 21 100 - 22 - ~12326=5, 2098/1.8=3...(6) HB2 LYS 47 - HG2 ARG 46 OK 14 94 - 15 - 4.0/6765=4, 2098/1.8=2...(5) HB3 LYS 24 - HG2 ARG 46 lone 9 100 - 9 - 2098/1.8=1 HB2 LYS 24 - HG2 ARG 46 lone 9 100 - 9 - 2098/1.8=1 HB3 LYS 73 - HG2 ARG 46 lone 5 100 - 5 - HB2 LYS 73 - HG2 ARG 46 lone 5 100 - 5 - HB2 GLU 37 - HG2 ARG 46 lone 4 65 - 6 - 4.6/8853=2 HB2 MET 1 - HG2 ARG 46 lone 4 65 - 6 - QE MET 1 - HG2 ARG 46 lone 3 70 - 5 - HG3 GLU 88 - HG2 ARG 46 lone 3 73 - 5 - HB VAL 32 - HG2 ARG 46 lone 2 61 - 3 - HB2 GLU 17 - HG2 ARG 46 lone 1 65 - 1 - Peak 2090 from cnoeabs.peaks (1.82, 1.82, 26.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 46 + HG2 ARG 46 OK 100 100 - 100 Peak 2091 from cnoeabs.peaks (1.79, 1.82, 26.76 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 46 + HG2 ARG 46 OK 100 100 - 100 - 1.8=100 HB2 LYS 39 - HG2 ARG 46 OK 12 90 - 14 - 2082/3.0=2, 2072/3.0=2...(4) HB3 GLU 63 - HG2 ARG 46 lone 9 94 - 9 - 2082/3.0=2, 2072/3.0=1...(4) HB VAL 78 - HG2 ARG 46 lone 6 97 - 6 - 2082/3.0=1, 2072/3.0=1 HB ILE 93 - HG2 ARG 46 lone 3 73 - 4 - Peak 2092 from cnoeabs.peaks (3.31, 1.82, 26.76 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 46 + HG2 ARG 46 OK 100 100 - 100 - 3.0=100 Peak 2093 from cnoeabs.peaks (3.19, 1.82, 26.76 ppm; 3.85 A): 1 out of 6 assignments used, quality = 1.00: * HD3 ARG 46 + HG2 ARG 46 OK 100 100 - 100 - 3.0=100 HB3 TRP 92 - HG2 ARG 46 OK 27 100 - 28 - 2102/1.8=5, 11040/3.6=4...(10) HB2 HIS 106 - HG2 ARG 46 OK 24 94 - 25 - 2102/1.8=5, 2084/3.0=3...(11) HD3 ARG 19 - HG2 ARG 46 OK 16 70 - 23 - 2102/1.8=3, 2074/3.0=2...(10) HD2 ARG 19 - HG2 ARG 46 OK 16 70 - 23 - 2102/1.8=3, 2074/3.0=2...(10) HB2 ASP 77 - HG2 ARG 46 poor 9 77 - 12 - 2102/1.8=2, 2084/3.0=1...(4) Peak 2094 from cnoeabs.peaks (7.47, 1.82, 26.76 ppm; 4.81 A): 3 out of 6 assignments used, quality = 1.00: HE ARG 46 + HG2 ARG 46 OK 100 100 - 100 - 3.6=100 * H LYS 47 + HG2 ARG 46 OK 79 100 - 80 - 6766/1.8=26, 6761/4.9=18...(11) H ARG 91 + HG2 ARG 46 OK 72 100 - 72 - 7434=10, 2103/1.8=10...(24) HE ARG 19 - HG2 ARG 46 OK 13 57 - 23 - 2.9/2093=4, 2.9/2093=4...(10) HD22 ASN 26 - HG2 ARG 46 OK 11 99 - 10 - 2103/1.8=2, 2075/3.0=1...(5) HZ2 TRP 92 - HG2 ARG 46 poor 7 61 - 12 - 6.5/2093=3, ~9974=2...(4) Peak 2095 from cnoeabs.peaks (8.02, 1.79, 26.76 ppm; 4.10 A): 2 out of 3 assignments used, quality = 0.98: * H ARG 46 + HG3 ARG 46 OK 94 100 - 94 - 4.9=58, 4.0/2082=21...(17) H GLY 101 + HG3 ARG 46 OK 58 100 - 58 - 2086/1.8=11, 2077/3.0=11...(17) H GLU 16 - HG3 ARG 46 OK 39 97 - 40 - 2086/1.8=7, 2067/3.0=6...(11) Peak 2096 from cnoeabs.peaks (4.07, 1.79, 26.76 ppm; 3.96 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 46 + HG3 ARG 46 OK 99 100 - 99 - 4.1=93, 3.0/2082=26...(27) HA LYS 66 + HG3 ARG 46 OK 45 99 - 46 - 2087/1.8=10, 2068/3.0=9...(9) HB2 SER 49 - HG3 ARG 46 OK 19 73 - 25 - 1.8/10173=4, 2087/1.8=4...(8) HA PRO 86 - HG3 ARG 46 lone 7 73 - 9 - 2087/1.8=2, 2078/3.0=2...(6) Peak 2097 from cnoeabs.peaks (1.97, 1.79, 26.76 ppm; 3.05 A): 2 out of 10 assignments used, quality = 1.00: * HB2 ARG 46 + HG3 ARG 46 OK 100 100 - 100 - 3.0=100 HB3 ARG 46 + HG3 ARG 46 OK 77 77 - 100 - 3.0=100 HB3 MET 74 - HG3 ARG 46 OK 22 87 - 26 - ~12326=6, 4.2/9601=5...(8) HB2 LYS 47 - HG3 ARG 46 OK 19 98 - 19 - 4.0/6766=7, 2088/1.8=2...(6) QE MET 1 - HG3 ARG 46 lone 8 100 - 8 - 2088/1.8=1, 38/3.0=1 HB2 LYS 24 - HG3 ARG 46 lone 8 87 - 9 - 2088/1.8=1 HB3 LYS 24 - HG3 ARG 46 lone 8 87 - 9 - 2088/1.8=1 HB2 GLU 37 - HG3 ARG 46 lone 7 100 - 7 - 2088/1.8=1 HB2 LYS 73 - HG3 ARG 46 lone 3 70 - 4 - HB3 LYS 73 - HG3 ARG 46 lone 3 65 - 4 - Peak 2098 from cnoeabs.peaks (1.96, 1.79, 26.76 ppm; 2.87 A): 2 out of 14 assignments used, quality = 0.99: * HB3 ARG 46 + HG3 ARG 46 OK 97 100 - 97 - 3.0=91, 2081/1.8=17...(23) HB2 ARG 46 + HG3 ARG 46 OK 75 77 - 97 - 3.0=91, 1.8/2082=22...(24) HB3 MET 74 - HG3 ARG 46 OK 23 100 - 23 - ~12326=5, 4.2/9601=4...(7) HB2 LYS 47 - HG3 ARG 46 OK 15 94 - 16 - 4.0/6766=6, 2089/1.8=2...(5) HB3 LYS 24 - HG3 ARG 46 lone 8 100 - 8 - 2089/1.8=1 HB2 LYS 24 - HG3 ARG 46 lone 8 100 - 8 - 2089/1.8=1 HB3 LYS 73 - HG3 ARG 46 lone 5 100 - 5 - HB2 LYS 73 - HG3 ARG 46 lone 5 100 - 5 - HB2 MET 1 - HG3 ARG 46 lone 4 65 - 6 - QE MET 1 - HG3 ARG 46 lone 3 70 - 4 - HG3 GLU 88 - HG3 ARG 46 lone 3 73 - 4 - HB2 GLU 37 - HG3 ARG 46 lone 3 65 - 4 - HB VAL 32 - HG3 ARG 46 lone 2 61 - 3 - HB2 GLU 17 - HG3 ARG 46 lone 1 65 - 1 - Peak 2099 from cnoeabs.peaks (1.82, 1.79, 26.76 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * HG2 ARG 46 + HG3 ARG 46 OK 100 100 - 100 - 1.8=100 HB3 LYS 90 - HG3 ARG 46 OK 20 94 - 21 - 2081/3.0=2, 2071/3.0=2...(8) HB3 LEU 57 - HG3 ARG 46 OK 18 100 - 18 - 2117/3.0=2, 2108/3.0=2...(6) HB2 LYS 90 - HG3 ARG 46 OK 17 84 - 20 - 3927/1.8=3, 2081/3.0=2...(7) HB2 LYS 53 - HG3 ARG 46 lone 7 73 - 10 - 3.0/10177=1 HB2 LYS 68 - HG3 ARG 46 lone 5 84 - 6 - HB2 GLU 88 - HG3 ARG 46 lone 3 73 - 4 - HB2 LEU 42 - HG3 ARG 46 lone 3 65 - 4 - HB2 GLU 104 - HG3 ARG 46 lone 1 73 - 1 - Peak 2100 from cnoeabs.peaks (1.79, 1.79, 26.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 46 + HG3 ARG 46 OK 100 100 - 100 Peak 2101 from cnoeabs.peaks (3.31, 1.79, 26.76 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 46 + HG3 ARG 46 OK 100 100 - 100 - 3.0=100 Peak 2102 from cnoeabs.peaks (3.19, 1.79, 26.76 ppm; 3.72 A): 1 out of 6 assignments used, quality = 1.00: * HD3 ARG 46 + HG3 ARG 46 OK 100 100 - 100 - 3.0=100 HB3 TRP 92 - HG3 ARG 46 OK 26 100 - 26 - 2093/1.8=5, 11040/3.6=3...(9) HB2 HIS 106 - HG3 ARG 46 OK 22 94 - 24 - 2093/1.8=4, 2084/3.0=3...(11) HD3 ARG 19 - HG3 ARG 46 OK 15 70 - 21 - 2093/1.8=3, 2084/3.0=2...(8) HD2 ARG 19 - HG3 ARG 46 OK 15 70 - 21 - 2093/1.8=3, 2084/3.0=2...(8) HB2 ASP 77 - HG3 ARG 46 poor 10 77 - 13 - 2093/1.8=2, 4.4/7278=1...(4) Peak 2103 from cnoeabs.peaks (7.47, 1.79, 26.76 ppm; 4.50 A): 3 out of 6 assignments used, quality = 1.00: HE ARG 46 + HG3 ARG 46 OK 100 100 - 100 - 3.6=100 * H LYS 47 + HG3 ARG 46 OK 79 100 - 79 - 6766=29, 4.7/2082=21...(11) H ARG 91 + HG3 ARG 46 OK 66 100 - 66 - 7434/1.8=12, 2085/3.0=8...(22) HE ARG 19 - HG3 ARG 46 OK 12 57 - 20 - 2.9/2102=3, 2.9/2102=3...(10) HD22 ASN 26 - HG3 ARG 46 lone 9 99 - 9 - 2094/1.8=1, 2075/3.0=1...(5) HZ2 TRP 92 - HG3 ARG 46 lone 6 61 - 10 - 6.5/2102=2, 2.8/9974=1...(4) Peak 2104 from cnoeabs.peaks (8.02, 3.31, 43.64 ppm; 5.28 A): 3 out of 3 assignments used, quality = 1.00: * H ARG 46 + HD2 ARG 46 OK 98 100 - 98 - 6.3=59, 3.0/2063=28...(19) H GLY 101 + HD2 ARG 46 OK 68 100 - 68 - 2095/3.0=13, 2086/3.0=13...(15) H GLU 16 + HD2 ARG 46 OK 55 97 - 56 - 6753=11, 2113/1.8=9...(13) Peak 2105 from cnoeabs.peaks (4.07, 3.31, 43.64 ppm; 4.28 A): 2 out of 4 assignments used, quality = 0.99: * HA ARG 46 + HD2 ARG 46 OK 97 100 - 97 - 5.2=54, 2114/1.8=20...(28) HA LYS 66 + HD2 ARG 46 OK 51 99 - 52 - 2063=13, 2114/1.8=10...(9) HB2 SER 49 - HD2 ARG 46 OK 20 73 - 27 - 2114/1.8=4, 2096/3.0=4...(11) HA PRO 86 - HD2 ARG 46 poor 8 73 - 10 - 2114/1.8=2, 2087/3.0=2...(5) Peak 2106 from cnoeabs.peaks (1.97, 3.31, 43.64 ppm; 3.43 A): 2 out of 10 assignments used, quality = 0.99: * HB2 ARG 46 + HD2 ARG 46 OK 97 100 - 97 - 3.6=83, 2071/3.0=15...(23) HB3 ARG 46 + HD2 ARG 46 OK 74 77 - 96 - 3.6=83, 2082/3.0=13...(22) HB3 MET 74 - HD2 ARG 46 OK 33 87 - 38 - 3.0/12326=14...(8) HB2 LYS 47 - HD2 ARG 46 OK 22 98 - 23 - 4.0/2112=4, 2134/2.9=3...(9) HB2 LYS 24 - HD2 ARG 46 OK 11 87 - 12 - 2115/1.8=1 HB3 LYS 24 - HD2 ARG 46 OK 11 87 - 12 - 2115/1.8=1 QE MET 1 - HD2 ARG 46 lone 8 100 - 8 - 2115/1.8=1, 2088/3.0=1, 38/3.6=1 HB2 GLU 37 - HD2 ARG 46 lone 7 100 - 7 - 8837/10882=1, 2088/3.0=1 HB2 LYS 73 - HD2 ARG 46 lone 5 70 - 6 - HB3 LYS 73 - HD2 ARG 46 lone 4 65 - 6 - Peak 2107 from cnoeabs.peaks (1.96, 3.31, 43.64 ppm; 3.43 A): 2 out of 14 assignments used, quality = 0.99: * HB3 ARG 46 + HD2 ARG 46 OK 97 100 - 97 - 3.6=83, 2082/3.0=21...(22) HB2 ARG 46 + HD2 ARG 46 OK 74 77 - 96 - 3.6=83, 3.0/2063=12...(24) HB3 MET 74 - HD2 ARG 46 OK 38 100 - 38 - 3.0/12326=15...(7) HB2 LYS 47 - HD2 ARG 46 OK 20 94 - 21 - 4.0/2112=4, 2134/2.9=3...(9) HB3 LYS 24 - HD2 ARG 46 OK 13 100 - 12 - 2116/1.8=2, 2089/3.0=1 HB2 LYS 24 - HD2 ARG 46 OK 13 100 - 12 - 2116/1.8=2, 2089/3.0=1 HB3 LYS 73 - HD2 ARG 46 lone 8 100 - 8 - 3369/9608=1 HB2 LYS 73 - HD2 ARG 46 lone 8 100 - 8 - 3369/9608=1 HG3 GLU 88 - HD2 ARG 46 lone 4 73 - 5 - QE MET 1 - HD2 ARG 46 lone 3 70 - 5 - HB VAL 32 - HD2 ARG 46 lone 3 61 - 5 - HB2 GLU 37 - HD2 ARG 46 lone 3 65 - 5 - HB2 MET 1 - HD2 ARG 46 lone 2 65 - 4 - HB2 GLU 17 - HD2 ARG 46 lone 1 65 - 1 - Peak 2108 from cnoeabs.peaks (1.82, 3.31, 43.64 ppm; 3.30 A): 1 out of 9 assignments used, quality = 1.00: * HG2 ARG 46 + HD2 ARG 46 OK 100 100 - 100 - 3.0=100 HB3 LYS 90 - HD2 ARG 46 OK 37 94 - 39 - 2117/1.8=6, 2099/3.0=4...(18) HB3 LEU 57 - HD2 ARG 46 OK 32 100 - 32 - 2117/1.8=5, ~9358=4...(15) HB2 LYS 90 - HD2 ARG 46 OK 30 84 - 36 - 2117/1.8=5, 3934/2.9=4...(15) HB2 LYS 53 - HD2 ARG 46 OK 10 73 - 14 - ~12122=2, ~12124=2...(9) HB2 LYS 68 - HD2 ARG 46 poor 9 84 - 11 - 2117/1.8=1, 2099/3.0=1 HB2 GLU 88 - HD2 ARG 46 lone 6 73 - 8 - ~3869=1 HB2 LEU 42 - HD2 ARG 46 lone 5 65 - 8 - 10283/10882=1 HB2 GLU 104 - HD2 ARG 46 lone 2 73 - 2 - Peak 2109 from cnoeabs.peaks (1.79, 3.31, 43.64 ppm; 3.33 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 46 + HD2 ARG 46 OK 100 100 - 100 - 3.0=100 HB2 LYS 39 - HD2 ARG 46 OK 24 90 - 27 - 2118/1.8=5, 9601/9608=3...(9) HB3 GLU 63 - HD2 ARG 46 OK 16 94 - 17 - 2118/1.8=3, 2072/3.6=2...(6) HB VAL 78 - HD2 ARG 46 OK 12 97 - 12 - 2118/1.8=3, 2091/3.0=2...(4) HB ILE 93 - HD2 ARG 46 lone 5 73 - 7 - 2118/1.8=1 Peak 2110 from cnoeabs.peaks (3.31, 3.31, 43.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 46 + HD2 ARG 46 OK 100 100 - 100 Peak 2111 from cnoeabs.peaks (3.19, 3.31, 43.64 ppm; 2.43 A): 1 out of 6 assignments used, quality = 1.00: * HD3 ARG 46 + HD2 ARG 46 OK 100 100 - 100 - 1.8=100 HB3 TRP 92 - HD2 ARG 46 OK 10 100 - 10 - ~4098=2, 2102/3.0=1...(7) HB2 HIS 106 - HD2 ARG 46 lone 9 94 - 9 - 3.0/9012=1, 2102/3.0=1...(6) HD3 ARG 19 - HD2 ARG 46 lone 5 70 - 7 - HD2 ARG 19 - HD2 ARG 46 lone 5 70 - 7 - HB2 ASP 77 - HD2 ARG 46 lone 3 77 - 4 - Peak 2112 from cnoeabs.peaks (7.47, 3.31, 43.64 ppm; 4.61 A): 3 out of 6 assignments used, quality = 1.00: HE ARG 46 + HD2 ARG 46 OK 100 100 - 100 - 2.9=100 * H LYS 47 + HD2 ARG 46 OK 72 100 - 72 - 3.6/2063=20, 6766/3.0=20...(11) H ARG 91 + HD2 ARG 46 OK 58 100 - 58 - 7434/3.0=10, 2121/1.8=10...(16) HE ARG 19 - HD2 ARG 46 poor 10 57 - 17 - 2.9/2111=2, 2.9/2111=2...(10) HD22 ASN 26 - HD2 ARG 46 lone 9 99 - 9 - 2121/1.8=2, 2094/3.0=1...(5) HZ2 TRP 92 - HD2 ARG 46 lone 5 61 - 8 - 2121/1.8=1, 6.5/2111=1, ~9974=1 Peak 2113 from cnoeabs.peaks (8.02, 3.19, 43.64 ppm; 5.60 A): 3 out of 3 assignments used, quality = 1.00: * H ARG 46 + HD3 ARG 46 OK 99 100 - 99 - 6.3=70, 6753/1.8=35...(19) H GLY 101 + HD3 ARG 46 OK 72 100 - 72 - 2095/3.0=14, 2086/3.0=14...(15) H GLU 16 + HD3 ARG 46 OK 56 97 - 57 - 2104/1.8=11, 2095/3.0=9...(13) Peak 2114 from cnoeabs.peaks (4.07, 3.19, 43.64 ppm; 4.42 A): 2 out of 4 assignments used, quality = 0.99: * HA ARG 46 + HD3 ARG 46 OK 98 100 - 98 - 5.2=60, 2063/1.8=26...(27) HA LYS 66 + HD3 ARG 46 OK 49 99 - 49 - 2105/1.8=12, 2096/3.0=9...(9) HB2 SER 49 - HD3 ARG 46 OK 20 73 - 27 - 2105/1.8=5, 2096/3.0=4...(10) HA PRO 86 - HD3 ARG 46 poor 9 73 - 11 - 2105/1.8=2, 2087/3.0=2...(5) Peak 2115 from cnoeabs.peaks (1.97, 3.19, 43.64 ppm; 3.38 A): 2 out of 10 assignments used, quality = 0.99: * HB2 ARG 46 + HD3 ARG 46 OK 96 100 - 96 - 3.6=80, 2071/3.0=15...(22) HB3 ARG 46 + HD3 ARG 46 OK 73 77 - 95 - 3.6=80, 2082/3.0=13...(21) HB3 MET 74 - HD3 ARG 46 OK 27 87 - 31 - ~12326=10, 3.0/9013=7...(7) HB2 LYS 47 - HD3 ARG 46 OK 21 98 - 21 - 4.0/2121=4, 2134/2.9=3...(9) HB2 LYS 24 - HD3 ARG 46 poor 10 87 - 11 - 2106/1.8=1 HB3 LYS 24 - HD3 ARG 46 poor 10 87 - 11 - 2106/1.8=1 QE MET 1 - HD3 ARG 46 lone 7 100 - 7 - 2106/1.8=1, 2088/3.0=1 HB2 GLU 37 - HD3 ARG 46 lone 6 100 - 6 - HB2 LYS 73 - HD3 ARG 46 lone 4 70 - 5 - HB3 LYS 73 - HD3 ARG 46 lone 3 65 - 5 - Peak 2116 from cnoeabs.peaks (1.96, 3.19, 43.64 ppm; 3.31 A): 2 out of 14 assignments used, quality = 0.98: * HB3 ARG 46 + HD3 ARG 46 OK 94 100 - 94 - 3.6=75, 2082/3.0=20...(21) HB2 ARG 46 + HD3 ARG 46 OK 72 77 - 93 - 3.6=75, ~2082=10...(22) HB3 MET 74 - HD3 ARG 46 OK 30 100 - 30 - ~12326=10, 3.0/9013=6...(7) HB2 LYS 47 - HD3 ARG 46 OK 18 94 - 19 - 4.0/2121=4, 2134/2.9=3...(9) HB3 LYS 24 - HD3 ARG 46 OK 11 100 - 11 - 2107/1.8=1, 2089/3.0=1 HB2 LYS 24 - HD3 ARG 46 OK 11 100 - 11 - 2107/1.8=1, 2089/3.0=1 HB3 LYS 73 - HD3 ARG 46 lone 6 100 - 6 - HB2 LYS 73 - HD3 ARG 46 lone 6 100 - 6 - HG3 GLU 88 - HD3 ARG 46 lone 3 73 - 4 - QE MET 1 - HD3 ARG 46 lone 3 70 - 4 - HB VAL 32 - HD3 ARG 46 lone 3 61 - 4 - HB2 GLU 37 - HD3 ARG 46 lone 2 65 - 3 - HB2 MET 1 - HD3 ARG 46 lone 2 65 - 3 - HB2 GLU 17 - HD3 ARG 46 lone 1 65 - 1 - Peak 2117 from cnoeabs.peaks (1.82, 3.19, 43.64 ppm; 3.32 A): 1 out of 9 assignments used, quality = 1.00: * HG2 ARG 46 + HD3 ARG 46 OK 100 100 - 100 - 3.0=100 HB3 LYS 90 - HD3 ARG 46 OK 37 94 - 40 - 2108/1.8=6, 2099/3.0=4...(18) HB3 LEU 57 - HD3 ARG 46 OK 33 100 - 34 - 3.1/9358=6, 2108/1.8=5...(15) HB2 LYS 90 - HD3 ARG 46 OK 31 84 - 37 - 2108/1.8=5, 3934/2.9=4...(16) HB2 LYS 53 - HD3 ARG 46 OK 10 73 - 14 - 2108/1.8=2, 2071/3.6=2...(9) HB2 LYS 68 - HD3 ARG 46 poor 9 84 - 10 - 2108/1.8=1, 2099/3.0=1 HB2 GLU 88 - HD3 ARG 46 lone 6 73 - 9 - ~3869=1 HB2 LEU 42 - HD3 ARG 46 lone 4 65 - 6 - HB2 GLU 104 - HD3 ARG 46 lone 2 73 - 2 - Peak 2118 from cnoeabs.peaks (1.79, 3.19, 43.64 ppm; 3.21 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 46 + HD3 ARG 46 OK 100 100 - 100 - 3.0=100 HB2 LYS 39 - HD3 ARG 46 OK 19 90 - 21 - 2109/1.8=5, 2091/3.0=3...(5) HB3 GLU 63 - HD3 ARG 46 OK 14 94 - 15 - 2109/1.8=3, 2072/3.6=2...(4) HB VAL 78 - HD3 ARG 46 OK 11 97 - 11 - 2109/1.8=3, 2091/3.0=2...(4) HB ILE 93 - HD3 ARG 46 lone 6 73 - 8 - 3.9/7485=2, 2109/1.8=1 Peak 2119 from cnoeabs.peaks (3.31, 3.19, 43.64 ppm; 2.46 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 46 + HD3 ARG 46 OK 100 100 - 100 - 1.8=100 Peak 2120 from cnoeabs.peaks (3.19, 3.19, 43.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 46 + HD3 ARG 46 OK 100 100 - 100 Peak 2121 from cnoeabs.peaks (7.47, 3.19, 43.64 ppm; 4.19 A): 3 out of 6 assignments used, quality = 1.00: HE ARG 46 + HD3 ARG 46 OK 100 100 - 100 - 2.9=100 * H LYS 47 + HD3 ARG 46 OK 62 100 - 62 - 6766/3.0=17, 3.6/2114=14...(9) H ARG 91 + HD3 ARG 46 OK 53 100 - 53 - 7434/3.0=9, 2112/1.8=7...(16) HE ARG 19 - HD3 ARG 46 poor 8 57 - 14 - ~2093=1, ~2102=1...(9) HZ2 TRP 92 - HD3 ARG 46 poor 8 61 - 13 - 5.0/5529=3, 6.5/4098=2...(6) HD22 ASN 26 - HD3 ARG 46 lone 8 99 - 7 - 2112/1.8=1, 2094/3.0=1 Peak 2122 from cnoeabs.peaks (7.47, 4.14, 57.73 ppm; 3.34 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 47 + HA LYS 47 OK 100 100 - 100 - 2.9=100 H ARG 91 - HA LYS 47 OK 34 100 - 34 - 2168/3.9=5, 2134/3.0=4...(14) HE ARG 46 - HA LYS 47 OK 24 100 - 24 - 6780/3.6=4, 2134/3.0=3...(9) HD22 ASN 26 - HA LYS 47 OK 11 99 - 11 - 4.4/10478=3, 5.5/8609=2...(4) HZ2 TRP 92 - HA LYS 47 lone 1 61 - 2 - HE ARG 19 - HA LYS 47 lone 1 57 - 2 - Peak 2123 from cnoeabs.peaks (4.14, 4.14, 57.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 47 + HA LYS 47 OK 100 100 - 100 Peak 2124 from cnoeabs.peaks (1.97, 4.14, 57.73 ppm; 2.82 A): 2 out of 10 assignments used, quality = 0.94: * HB2 LYS 47 + HA LYS 47 OK 92 100 - 92 - 3.0=81, 1.8/2125=13...(18) HB2 ARG 46 + HA LYS 47 OK 28 98 - 28 - 6763/2.9=5, ~2085=3...(13) HB3 ARG 46 - HA LYS 47 OK 27 94 - 29 - 6764/2.9=5, ~2075=3...(13) HB3 LYS 24 - HA LYS 47 OK 27 98 - 27 - 2135=3, 1.8/2135=2...(8) HB2 LYS 24 - HA LYS 47 OK 27 98 - 27 - 2135=3, 1.8/2135=2...(8) HB2 LYS 73 - HA LYS 47 OK 13 90 - 15 - 2.9/2126=2, 2170/3.9=1 HB3 LYS 73 - HA LYS 47 OK 13 87 - 15 - 2.9/2126=2, 2170/3.9=1 QE MET 1 - HA LYS 47 OK 11 96 - 12 - 38/3.0=1, 8037/2.9=1...(5) HB3 MET 74 - HA LYS 47 lone 4 98 - 4 - HB2 GLU 37 - HA LYS 47 lone 3 94 - 3 - Peak 2125 from cnoeabs.peaks (1.92, 4.14, 57.73 ppm; 2.91 A): 1 out of 13 assignments used, quality = 0.96: * HB3 LYS 47 + HA LYS 47 OK 96 100 - 96 - 3.0=89, 1.8/2124=13...(21) HB2 LYS 94 - HA LYS 47 OK 36 100 - 36 - 2147=6, 3.5/2127=5...(16) HB2 LYS 13 - HA LYS 47 OK 28 96 - 30 - 496=3, 3.0/2126=3...(11) HB3 LYS 13 - HA LYS 47 OK 27 92 - 30 - 3.0/2126=3, 496=3...(11) HB2 MET 1 - HA LYS 47 OK 13 70 - 18 - 1.8/16=2, 14/3.0=2...(6) HB3 LYS 20 - HA LYS 47 lone 9 92 - 9 - HB2 LYS 33 - HA LYS 47 lone 9 97 - 9 - ~6760=1, 6783/3.6=1 HB3 LYS 33 - HA LYS 47 lone 8 94 - 9 - ~6760=1, 6783/3.6=1 HB2 GLU 43 - HA LYS 47 poor 7 65 - 11 - 4.4/2132=3, ~12312=1, 1968/3.6=1 HB3 ARG 19 - HA LYS 47 lone 2 99 - 2 - HB2 GLU 17 - HA LYS 47 lone 2 70 - 3 - HG3 GLU 88 - HA LYS 47 lone 1 61 - 2 - HB VAL 32 - HA LYS 47 lone 1 73 - 1 - Peak 2126 from cnoeabs.peaks (1.49, 4.14, 57.73 ppm; 3.21 A): 3 out of 11 assignments used, quality = 0.95: * HG2 LYS 47 + HA LYS 47 OK 88 100 - 88 - 3.9=56, 1.8/2127=19...(26) HB2 ARG 91 + HA LYS 47 OK 40 99 - 41 - 4025/2.9=6, 3.9/2122=3...(21) HG3 LYS 13 + HA LYS 47 OK 33 98 - 34 - 2158=4, 1.8/518=4...(14) HG2 LYS 73 - HA LYS 47 OK 25 100 - 25 - 2158=4, 2162/3.9=3...(10) HG3 LYS 24 - HA LYS 47 OK 19 70 - 27 - 2.9/2124=3, 2.9/2124=3...(10) HG3 LYS 33 - HA LYS 47 lone 7 84 - 9 - 6784/3.6=1, 2.8/2125=1 HG2 LYS 66 - HA LYS 47 lone 5 100 - 5 - HG3 LYS 66 - HA LYS 47 lone 5 100 - 5 - HB3 LEU 64 - HA LYS 47 lone 4 100 - 4 - HG LEU 57 - HA LYS 47 lone 3 92 - 3 - HG LEU 64 - HA LYS 47 lone 3 90 - 3 - Peak 2127 from cnoeabs.peaks (1.62, 4.14, 57.73 ppm; 3.53 A): 2 out of 5 assignments used, quality = 0.98: * HG3 LYS 47 + HA LYS 47 OK 95 100 - 95 - 3.9=74, 6773/2.9=20...(35) HD2 LYS 94 + HA LYS 47 OK 48 100 - 48 - 2139/3.0=8, 6773/2.9=8...(20) HG2 LYS 68 - HA LYS 47 lone 2 57 - 4 - HD3 LYS 39 - HA LYS 47 lone 2 61 - 3 - HB2 ARG 30 - HA LYS 47 lone 1 61 - 2 - Peak 2128 from cnoeabs.peaks (1.68, 4.14, 57.73 ppm; 3.72 A): 3 out of 17 assignments used, quality = 0.99: HD3 LYS 47 + HA LYS 47 OK 90 100 - 90 - 5.1=39, 3.0/2127=19...(45) * HD2 LYS 47 + HA LYS 47 OK 90 100 - 90 - 5.1=39, 3.0/2127=19...(45) HB3 ARG 91 + HA LYS 47 OK 46 100 - 46 - 1.8/2126=7, ~4025=5...(23) HD2 LYS 24 - HA LYS 47 OK 31 77 - 40 - 3.6/2124=3, 3.6/2124=3...(10) HD3 LYS 24 - HA LYS 47 OK 29 73 - 40 - 3.6/2124=3, 3.6/2124=3...(10) HD2 LYS 73 - HA LYS 47 OK 24 84 - 28 - 3.0/2126=4, 3.6/2124=2...(8) HD3 LYS 73 - HA LYS 47 OK 22 77 - 28 - 3.0/2126=4, 3.6/2124=2...(7) HD2 LYS 20 - HA LYS 47 OK 20 100 - 20 - 2174/3.9=1, 2152/3.0=1...(6) HD3 LYS 20 - HA LYS 47 OK 19 98 - 20 - 2174/3.9=1, 2152/3.0=1...(5) HG3 LYS 20 - HA LYS 47 OK 17 98 - 18 - 896/3.0=2, 3.0/2125=1...(5) HB3 LYS 40 - HA LYS 47 lone 7 100 - 7 - 1795/3.6=3 HD3 LYS 90 - HA LYS 47 lone 7 73 - 10 - ~3978=3, 3989/2.9=2...(4) HB ILE 52 - HA LYS 47 lone 4 92 - 5 - 6786/3.6=2 HG12 ILE 15 - HA LYS 47 lone 4 84 - 5 - HB3 LYS 53 - HA LYS 47 lone 2 99 - 2 - HG2 PRO 86 - HA LYS 47 lone 2 87 - 3 - HG LEU 70 - HA LYS 47 lone 2 65 - 3 - Peak 2129 from cnoeabs.peaks (1.68, 4.14, 57.73 ppm; 3.72 A): 3 out of 20 assignments used, quality = 0.99: * HD3 LYS 47 + HA LYS 47 OK 90 100 - 90 - 5.1=39, 3.0/2127=19...(45) HD2 LYS 47 + HA LYS 47 OK 90 100 - 90 - 5.1=39, 3.0/2127=19...(45) HB3 ARG 91 + HA LYS 47 OK 46 100 - 46 - 1.8/2126=7, ~4025=5...(23) HD2 LYS 24 - HA LYS 47 OK 33 81 - 41 - 3.6/2124=3, 3.6/2124=3...(10) HD3 LYS 24 - HA LYS 47 OK 31 77 - 40 - 3.6/2124=3, 3.6/2124=3...(10) HD2 LYS 13 - HA LYS 47 OK 26 61 - 42 - 3.0/2126=5, 3.0/518=4...(15) HD2 LYS 73 - HA LYS 47 OK 23 81 - 28 - 3.0/2126=4, 3.6/2124=2...(8) HD3 LYS 73 - HA LYS 47 OK 20 73 - 28 - 3.0/2126=4, 3.6/2124=2...(7) HD2 LYS 20 - HA LYS 47 OK 20 99 - 20 - 2174/3.9=1, 2152/3.0=1...(6) HD3 LYS 20 - HA LYS 47 OK 19 97 - 20 - 2174/3.9=1, 2152/3.0=1...(5) HG3 LYS 20 - HA LYS 47 OK 17 97 - 18 - 896/3.0=2, 3.0/2125=1...(5) HD3 LYS 90 - HA LYS 47 poor 8 77 - 10 - ~3978=3, 3989/2.9=2...(4) HB3 LYS 40 - HA LYS 47 lone 7 100 - 7 - 1795/3.6=3 HD3 LYS 12 - HA LYS 47 lone 5 61 - 8 - HD2 LYS 12 - HA LYS 47 lone 5 61 - 8 - HB ILE 52 - HA LYS 47 lone 4 90 - 5 - 6786/3.6=2 HG12 ILE 15 - HA LYS 47 lone 4 87 - 5 - HB3 LYS 53 - HA LYS 47 lone 2 99 - 2 - HG2 PRO 86 - HA LYS 47 lone 2 90 - 3 - HG LEU 70 - HA LYS 47 lone 2 70 - 3 - Peak 2130 from cnoeabs.peaks (2.97, 4.14, 57.73 ppm; 4.92 A): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 47 + HA LYS 47 OK 96 100 - 96 - 6.3=48, 3.8/2127=25...(37) HE3 LYS 47 + HA LYS 47 OK 96 100 - 96 - 6.3=48, 3.8/2127=25...(37) HE2 LYS 24 + HA LYS 47 OK 46 87 - 54 - 4.9/2124=4, 4.9/2124=4...(32) HE3 LYS 24 + HA LYS 47 OK 46 87 - 54 - 4.9/2124=4, 4.9/2124=4...(32) HE2 LYS 13 - HA LYS 47 OK 43 81 - 53 - 3.8/518=6, 3.8/2126=6...(29) HE3 LYS 13 - HA LYS 47 OK 39 73 - 53 - 3.8/518=6, 3.8/2126=6...(29) HB3 PHE 45 - HA LYS 47 OK 32 97 - 33 - ~6760=13, 6776/2.9=5...(7) HB2 PHE 45 - HA LYS 47 OK 32 94 - 34 - ~6760=13, 6776/2.9=4...(7) HB2 SER 9 - HA LYS 47 OK 15 70 - 21 - ~6758=5, ~2133=4...(7) HE3 LYS 12 - HA LYS 47 OK 10 94 - 11 - Peak 2131 from cnoeabs.peaks (2.97, 4.14, 57.73 ppm; 4.92 A): 4 out of 10 assignments used, quality = 1.00: HE2 LYS 47 + HA LYS 47 OK 96 100 - 96 - 6.3=48, 3.8/2127=25...(37) * HE3 LYS 47 + HA LYS 47 OK 96 100 - 96 - 6.3=48, 3.8/2127=25...(37) HE2 LYS 24 + HA LYS 47 OK 46 87 - 54 - 4.9/2124=4, 4.9/2124=4...(32) HE3 LYS 24 + HA LYS 47 OK 46 87 - 54 - 4.9/2124=4, 4.9/2124=4...(32) HE2 LYS 13 - HA LYS 47 OK 43 81 - 53 - 3.8/518=6, 3.8/2126=6...(29) HE3 LYS 13 - HA LYS 47 OK 39 73 - 53 - 3.8/518=6, 3.8/2126=6...(29) HB3 PHE 45 - HA LYS 47 OK 32 97 - 33 - ~6760=13, 6776/2.9=5...(7) HB2 PHE 45 - HA LYS 47 OK 32 94 - 34 - ~6760=13, 6776/2.9=4...(7) HB2 SER 9 - HA LYS 47 OK 15 70 - 21 - ~6758=5, ~2133=4...(7) HE3 LYS 12 - HA LYS 47 OK 10 94 - 11 - Peak 2132 from cnoeabs.peaks (7.62, 4.14, 57.73 ppm; 3.79 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 48 + HA LYS 47 OK 100 100 - 100 - 3.6=100 H GLU 44 - HA LYS 47 OK 42 81 - 52 - 6778/2.9=10, ~1998=7...(15) HE22 GLN 50 - HA LYS 47 lone 9 96 - 9 - 6778/2.9=2, 2144/3.0=2...(4) HD22 ASN 10 - HA LYS 47 lone 8 92 - 9 - 6778/2.9=2, 2144/3.0=1...(4) H LYS 40 - HA LYS 47 lone 6 70 - 9 - 6778/2.9=1, 2144/3.0=1 Peak 2133 from cnoeabs.peaks (3.94, 1.97, 32.41 ppm; 4.48 A): 3 out of 12 assignments used, quality = 0.86: * HA GLU 44 + HB2 LYS 47 OK 74 100 - 75 - 1999=20, 2000/1.8=18...(15) HA TYR 41 + HB2 LYS 47 OK 31 92 - 34 - 10615/3.0=7, 6758/4.0=6...(12) HB3 SER 9 + HB2 LYS 47 OK 22 90 - 24 - 10615/3.0=5, 6758/4.0=4...(5) HA GLU 44 - HB2 LYS 24 poor 6 56 - 11 - 1999=2, 1999/1.8=2...(4) HA GLU 44 - HB3 LYS 24 poor 6 56 - 11 - 1999=2, 1999/1.8=2...(4) HB2 SER 97 - HB2 LYS 47 lone 5 84 - 6 - 2145/1.8=1, 10621/4.7=1 HA TYR 41 - HB2 LYS 24 lone 2 46 - 5 - HA TYR 41 - HB3 LYS 24 lone 2 46 - 5 - HB3 SER 9 - HB2 LYS 24 lone 2 44 - 5 - HB3 SER 9 - HB3 LYS 24 lone 2 44 - 5 - HB2 SER 97 - HB3 LYS 24 lone 1 40 - 3 - HB2 SER 97 - HB2 LYS 24 lone 1 40 - 3 - Peak 2134 from cnoeabs.peaks (7.47, 1.97, 32.41 ppm; 3.44 A): 3 out of 18 assignments used, quality = 0.95: * H LYS 47 + HB2 LYS 47 OK 89 100 - 89 - 4.0=61, 6773/3.0=19...(19) H ARG 91 + HB2 LYS 47 OK 39 100 - 40 - 2168/3.0=6, 7442/3.0=6...(15) HE ARG 46 + HB2 LYS 47 OK 28 100 - 29 - 2146/1.8=4, 2122/3.0=4...(11) H LYS 47 - HB2 LYS 24 OK 15 56 - 27 - 6770=4, 2.9/2124=4...(11) H LYS 47 - HB3 LYS 24 OK 15 56 - 27 - 6770=4, 2.9/2124=4...(11) HD22 ASN 26 - HB2 LYS 47 lone 9 99 - 9 - 2122/3.0=2, 2146/1.8=1...(4) HE ARG 46 - HB3 LYS 24 poor 6 55 - 10 - 2.9/2107=1, 2.9/2116=1...(4) HE ARG 46 - HB2 LYS 24 poor 6 55 - 10 - 2.9/2107=1, 2.9/2116=1...(4) H ARG 91 - HB2 LYS 24 lone 4 55 - 8 - 7436/2.9=2 H ARG 91 - HB3 LYS 24 lone 4 55 - 8 - 7436/2.9=2 HD22 ASN 26 - HB2 LYS 24 lone 2 54 - 3 - 5.5/8619=2 HD22 ASN 26 - HB3 LYS 24 lone 2 54 - 3 - 5.5/8619=2 HE ARG 19 - HB2 LYS 47 lone 2 57 - 3 - HZ2 TRP 92 - HB2 LYS 47 lone 1 61 - 2 - HE ARG 19 - HB2 LYS 24 lone 0 25 - 1 - HE ARG 19 - HB3 LYS 24 lone 0 25 - 1 - HZ2 TRP 92 - HB3 LYS 24 lone 0 27 - 1 - HZ2 TRP 92 - HB2 LYS 24 lone 0 27 - 1 - Peak 2135 from cnoeabs.peaks (4.14, 1.97, 32.41 ppm; 2.96 A): 1 out of 24 assignments used, quality = 0.98: * HA LYS 47 + HB2 LYS 47 OK 98 100 - 98 - 3.0=94, 2125/1.8=14...(19) HA LYS 13 - HB2 LYS 47 OK 22 90 - 25 - 2147/1.8=3, 2169/3.0=3...(7) HA MET 1 - HB2 LYS 47 OK 19 81 - 24 - 3.0/21=4, 3.0/14=4, 7=3...(8) HA GLN 72 - HB2 LYS 47 OK 19 90 - 22 - 2169/3.0=3, 2147/1.8=3...(8) HA LYS 47 - HB2 LYS 24 OK 18 56 - 33 - 2124=5, 2124/1.8=4...(11) HA LYS 47 - HB3 LYS 24 OK 18 56 - 33 - 2124=5, 2124/1.8=4...(11) HA GLU 23 - HB3 LYS 24 OK 10 55 - 19 - 6377/4.0=5, 6396/4.4=5...(5) HA GLU 23 - HB2 LYS 24 OK 10 55 - 19 - 6377/4.0=5, 6396/4.4=5...(5) HA GLU 23 - HB2 LYS 47 lone 9 100 - 9 - 2147/1.8=1, 2169/3.0=1 HA LYS 13 - HB2 LYS 24 poor 5 44 - 11 - 486/2.9=1 HA LYS 13 - HB3 LYS 24 poor 5 44 - 11 - 486/2.9=1 HA MET 1 - HB3 LYS 24 lone 4 38 - 10 - 7=1, 7/1.8=1 HA MET 1 - HB2 LYS 24 lone 4 38 - 10 - 7=1, 7/1.8=1 HA GLN 72 - HB2 LYS 24 lone 3 44 - 6 - 6396/4.4=2, 3.6/7205=2 HA GLN 72 - HB3 LYS 24 lone 3 44 - 6 - 6396/4.4=2, 3.6/7205=2 HB2 SER 59 - HB2 LYS 47 lone 2 77 - 2 - HA GLU 99 - HB2 LYS 47 lone 1 57 - 1 - HA GLU 104 - HB2 LYS 47 lone 1 70 - 1 - HB2 SER 59 - HB3 LYS 24 lone 1 36 - 2 - HB2 SER 59 - HB2 LYS 24 lone 1 36 - 2 - HA GLU 104 - HB3 LYS 24 lone 0 32 - 1 - HA GLU 104 - HB2 LYS 24 lone 0 32 - 1 - HA GLU 99 - HB2 LYS 24 lone 0 25 - 0 - HA GLU 99 - HB3 LYS 24 lone 0 25 - 0 - Peak 2136 from cnoeabs.peaks (1.97, 1.97, 32.41 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 LYS 47 + HB2 LYS 47 OK 100 100 - 100 HB3 LYS 24 + HB3 LYS 24 OK 52 52 - 100 HB2 LYS 24 + HB2 LYS 24 OK 52 52 - 100 Peak 2137 from cnoeabs.peaks (1.92, 1.97, 32.41 ppm; 2.40 A): 1 out of 39 assignments used, quality = 1.00: * HB3 LYS 47 + HB2 LYS 47 OK 100 100 - 100 - 1.8=100 HB2 LYS 94 - HB2 LYS 47 OK 36 100 - 36 - 2148=7, 3.5/2139=3...(17) HB2 LYS 13 - HB2 LYS 47 OK 20 96 - 21 - 2125/3.0=2, 2171/3.0=2...(4) HB3 LYS 13 - HB2 LYS 47 OK 19 92 - 21 - 2125/3.0=2, 2171/3.0=2...(4) HB2 MET 1 - HB2 LYS 47 OK 14 70 - 20 - 1.8/21=4, 14=3, 3.0/35=2...(5) HB3 LYS 47 - HB2 LYS 24 OK 12 56 - 22 - 2148=4, 2148/1.8=2...(4) HB3 LYS 47 - HB3 LYS 24 OK 12 56 - 22 - 2148=4, 2148/1.8=2...(4) HB3 LYS 20 - HB2 LYS 47 lone 7 92 - 8 - HB2 LYS 33 - HB2 LYS 47 lone 6 97 - 6 - HB3 LYS 33 - HB2 LYS 47 lone 6 94 - 6 - HB2 GLU 43 - HB2 LYS 47 lone 4 65 - 7 - 4.4/2144=2 HB2 LYS 13 - HB3 LYS 24 lone 4 49 - 7 - HB2 LYS 13 - HB2 LYS 24 lone 4 49 - 7 - HB3 LYS 13 - HB3 LYS 24 lone 3 46 - 7 - HB3 LYS 13 - HB2 LYS 24 lone 3 46 - 7 - HB2 LYS 33 - HB2 LYS 24 lone 2 51 - 5 - HB2 LYS 33 - HB3 LYS 24 lone 2 51 - 5 - HB3 LYS 33 - HB3 LYS 24 lone 2 48 - 5 - HB3 LYS 33 - HB2 LYS 24 lone 2 48 - 5 - HB3 ARG 19 - HB2 LYS 47 lone 2 99 - 2 - HB2 MET 1 - HB2 LYS 24 lone 2 32 - 6 - 1.8/21=1 HB2 MET 1 - HB3 LYS 24 lone 2 32 - 6 - 1.8/21=1 HB2 GLU 17 - HB2 LYS 47 lone 2 70 - 2 - HB2 LYS 94 - HB3 LYS 24 lone 2 55 - 3 - HB2 LYS 94 - HB2 LYS 24 lone 2 55 - 3 - HB VAL 32 - HB2 LYS 47 lone 1 73 - 1 - HG3 GLU 88 - HB2 LYS 24 lone 1 27 - 3 - HG3 GLU 88 - HB3 LYS 24 lone 1 27 - 3 - HG3 GLU 88 - HB2 LYS 47 lone 1 61 - 1 - HB VAL 32 - HB3 LYS 24 lone 1 34 - 2 - HB VAL 32 - HB2 LYS 24 lone 1 34 - 2 - HB3 ARG 19 - HB2 LYS 24 lone 0 53 - 1 - HB3 ARG 19 - HB3 LYS 24 lone 0 53 - 1 - HB3 LYS 20 - HB2 LYS 24 lone 0 46 - 1 - HB3 LYS 20 - HB3 LYS 24 lone 0 46 - 1 - HB2 GLU 17 - HB3 LYS 24 lone 0 32 - 1 - HB2 GLU 17 - HB2 LYS 24 lone 0 32 - 1 - HB2 GLU 43 - HB2 LYS 24 lone 0 30 - 1 - HB2 GLU 43 - HB3 LYS 24 lone 0 30 - 1 - Peak 2138 from cnoeabs.peaks (1.49, 1.97, 32.41 ppm; 3.07 A): 1 out of 33 assignments used, quality = 1.00: * HG2 LYS 47 + HB2 LYS 47 OK 100 100 - 100 - 3.0=100 HB2 ARG 91 - HB2 LYS 47 OK 41 99 - 42 - 2126/3.0=4, 2172/3.0=4...(20) HG3 LYS 13 - HB2 LYS 47 OK 35 98 - 36 - 2172/3.0=4, 2126/3.0=3...(14) HG3 LYS 24 - HB3 LYS 24 OK 32 32 - 100 - 2.9=100 HG3 LYS 24 - HB2 LYS 24 OK 32 32 - 100 - 2.9=100 HG2 LYS 73 - HB2 LYS 47 OK 27 100 - 27 - 2162/3.0=3, 2150/1.8=3...(7) HG2 LYS 47 - HB2 LYS 24 OK 19 56 - 34 - 1.8/2170=4, ~2170=2...(13) HG2 LYS 47 - HB3 LYS 24 OK 19 56 - 34 - 1.8/2170=4, ~2170=2...(13) HG3 LYS 24 - HB2 LYS 47 OK 18 70 - 27 - 2126/3.0=2, 1.8/1086=2...(8) HG2 LYS 73 - HB2 LYS 24 OK 18 55 - 32 - 2159=2, 1.8/3273=2...(11) HG2 LYS 73 - HB3 LYS 24 OK 18 55 - 32 - 2159=2, 1.8/3273=2...(11) HG3 LYS 13 - HB2 LYS 24 OK 10 52 - 20 - 2159=1, 3265/2.9=1 HG3 LYS 13 - HB3 LYS 24 OK 10 52 - 20 - 2159=1, 3265/2.9=1 HG3 LYS 33 - HB2 LYS 47 lone 8 84 - 10 - HG2 LYS 66 - HB2 LYS 47 lone 6 100 - 6 - HG3 LYS 66 - HB2 LYS 47 lone 6 100 - 6 - HG2 LYS 66 - HB2 LYS 24 lone 5 56 - 9 - HG2 LYS 66 - HB3 LYS 24 lone 5 56 - 9 - HG3 LYS 66 - HB3 LYS 24 lone 5 55 - 9 - HG3 LYS 66 - HB2 LYS 24 lone 5 55 - 9 - HB3 LEU 64 - HB2 LYS 47 lone 4 100 - 4 - HG LEU 57 - HB2 LYS 47 lone 4 92 - 4 - HG3 LYS 33 - HB3 LYS 24 lone 3 40 - 8 - HG3 LYS 33 - HB2 LYS 24 lone 3 40 - 8 - HG LEU 64 - HB2 LYS 47 lone 3 90 - 3 - HB3 LEU 64 - HB3 LYS 24 lone 3 55 - 5 - 2818/4.4=3 HB3 LEU 64 - HB2 LYS 24 lone 3 55 - 5 - 2818/4.4=3 HB2 ARG 91 - HB3 LYS 24 lone 2 53 - 4 - HB2 ARG 91 - HB2 LYS 24 lone 2 53 - 4 - HG LEU 64 - HB2 LYS 24 lone 1 44 - 3 - 2826/4.4=2 HG LEU 64 - HB3 LYS 24 lone 1 44 - 3 - 2826/4.4=2 HG LEU 57 - HB2 LYS 24 lone 1 46 - 3 - HG LEU 57 - HB3 LYS 24 lone 1 46 - 3 - Peak 2139 from cnoeabs.peaks (1.62, 1.97, 32.41 ppm; 3.01 A): 2 out of 15 assignments used, quality = 1.00: * HG3 LYS 47 + HB2 LYS 47 OK 100 100 - 100 - 3.0=100 HD2 LYS 94 + HB2 LYS 47 OK 50 100 - 50 - 2127/3.0=6, 4232/1.8=6...(22) HG3 LYS 47 - HB2 LYS 24 OK 20 56 - 36 - 2170=5, 2170/1.8=4...(10) HG3 LYS 47 - HB3 LYS 24 OK 20 56 - 36 - 2170=5, 2170/1.8=4...(10) HD2 LYS 94 - HB3 LYS 24 lone 2 55 - 4 - HD2 LYS 94 - HB2 LYS 24 lone 2 55 - 4 - HD3 LYS 39 - HB2 LYS 47 lone 1 61 - 2 - HG2 LYS 68 - HB2 LYS 47 lone 1 57 - 2 - HB2 ARG 30 - HB2 LYS 47 lone 1 61 - 1 - HB2 ARG 30 - HB2 LYS 24 lone 0 27 - 1 - HB2 ARG 30 - HB3 LYS 24 lone 0 27 - 1 - HG2 LYS 68 - HB2 LYS 24 lone 0 25 - 1 - HG2 LYS 68 - HB3 LYS 24 lone 0 25 - 1 - HD3 LYS 39 - HB3 LYS 24 lone 0 27 - 1 - HD3 LYS 39 - HB2 LYS 24 lone 0 27 - 1 - Peak 2140 from cnoeabs.peaks (1.68, 1.97, 32.41 ppm; 2.91 A): 2 out of 51 assignments used, quality = 0.97: * HD2 LYS 47 + HB2 LYS 47 OK 81 100 - 81 - 3.9=40, 2174/3.0=8...(50) HD3 LYS 47 + HB2 LYS 47 OK 81 100 - 81 - 3.9=40, 2174/3.0=8...(50) HD2 LYS 24 - HB2 LYS 24 OK 30 36 - 84 - 3.6=55, 3.0/1097=7...(40) HD2 LYS 24 - HB3 LYS 24 OK 30 36 - 84 - 3.6=55, 3.0/1097=7...(40) HD3 LYS 24 - HB2 LYS 24 OK 28 34 - 84 - 3.6=55, 3.0/1097=7...(40) HD3 LYS 24 - HB3 LYS 24 OK 28 34 - 84 - 3.6=55, 3.0/1097=7...(40) HB3 ARG 91 - HB2 LYS 47 OK 28 100 - 28 - 1.8/2138=3, 3.0/1959=2...(14) HD2 LYS 24 - HB2 LYS 47 OK 21 77 - 28 - 3.0/1097=1, 2152/1.8=1...(5) HD3 LYS 24 - HB2 LYS 47 OK 20 73 - 28 - 3.0/1098=1, 2152/1.8=1...(5) HD2 LYS 73 - HB2 LYS 47 OK 19 84 - 23 - 2174/3.0=1, 2152/1.8=1...(4) HD2 LYS 20 - HB2 LYS 47 OK 18 100 - 18 - 2174/3.0=1, 2181=1, 2152/1.8=1 HD3 LYS 20 - HB2 LYS 47 OK 18 98 - 18 - 2174/3.0=1, 2152/1.8=1 HD3 LYS 73 - HB2 LYS 47 OK 18 77 - 23 - 3.0/2138=1, 2174/3.0=1...(4) HD2 LYS 47 - HB3 LYS 24 OK 16 56 - 29 - 3.0/2170=3, 2192=2...(11) HD2 LYS 47 - HB2 LYS 24 OK 16 56 - 29 - 3.0/2170=3, 2192=2...(11) HD3 LYS 47 - HB3 LYS 24 OK 16 55 - 29 - 3.0/2170=3, 2192=2...(11) HD3 LYS 47 - HB2 LYS 24 OK 16 55 - 29 - 3.0/2170=3, 2192=2...(11) HG3 LYS 20 - HB2 LYS 47 OK 14 98 - 14 - 896/1.8=2, 2174/3.0=1 HD2 LYS 73 - HB3 LYS 24 OK 12 40 - 29 - 3284=1, 3.0/3273=1...(5) HD2 LYS 73 - HB2 LYS 24 OK 12 40 - 29 - 3284=1, 3.0/3273=1...(5) HD3 LYS 73 - HB3 LYS 24 OK 10 36 - 29 - 3.0/3273=1, 3284=1...(5) HD3 LYS 73 - HB2 LYS 24 OK 10 36 - 29 - 3.0/3273=1, 3284=1...(5) HB3 LYS 40 - HB2 LYS 47 lone 5 100 - 5 - 1795/4.7=1 HD3 LYS 90 - HB2 LYS 24 poor 5 34 - 15 - ~3973=1, ~3963=1, ~3965=1 HD3 LYS 90 - HB3 LYS 24 poor 5 34 - 15 - ~3973=1, ~3963=1, ~3965=1 HG2 PRO 86 - HB2 LYS 24 poor 4 42 - 10 - 3831/3.0=2, ~3823=1...(4) HG2 PRO 86 - HB3 LYS 24 poor 4 42 - 10 - 3831/3.0=2, ~3823=1...(4) HB ILE 52 - HB2 LYS 47 lone 3 92 - 3 - HG12 ILE 15 - HB2 LYS 47 lone 2 84 - 3 - HG LEU 70 - HB2 LYS 47 lone 2 65 - 3 - HB3 LYS 53 - HB2 LYS 47 lone 2 99 - 2 - HD3 LYS 90 - HB2 LYS 47 lone 2 73 - 3 - HG2 PRO 86 - HB2 LYS 47 lone 2 87 - 2 - HB3 ARG 91 - HB3 LYS 24 lone 2 55 - 3 - HB3 ARG 91 - HB2 LYS 24 lone 2 55 - 3 - HG12 ILE 15 - HB2 LYS 24 lone 1 40 - 3 - HG12 ILE 15 - HB3 LYS 24 lone 1 40 - 3 - HD2 LYS 20 - HB2 LYS 24 lone 1 55 - 1 - HD2 LYS 20 - HB3 LYS 24 lone 1 55 - 1 - HB3 LYS 53 - HB2 LYS 24 lone 1 53 - 1 - HB3 LYS 53 - HB3 LYS 24 lone 1 53 - 1 - HG3 LYS 20 - HB3 LYS 24 lone 1 52 - 1 - HG3 LYS 20 - HB2 LYS 24 lone 1 52 - 1 - HD3 LYS 20 - HB3 LYS 24 lone 1 52 - 1 - HD3 LYS 20 - HB2 LYS 24 lone 1 52 - 1 - HG LEU 70 - HB2 LYS 24 lone 1 30 - 2 - HG LEU 70 - HB3 LYS 24 lone 1 30 - 2 - HB ILE 52 - HB2 LYS 24 lone 1 46 - 1 - HB ILE 52 - HB3 LYS 24 lone 1 46 - 1 - HB3 LYS 40 - HB2 LYS 24 lone 1 55 - 1 - HB3 LYS 40 - HB3 LYS 24 lone 1 55 - 1 - Peak 2141 from cnoeabs.peaks (1.68, 1.97, 32.41 ppm; 2.91 A): 2 out of 60 assignments used, quality = 0.97: HD2 LYS 47 + HB2 LYS 47 OK 81 100 - 81 - 3.9=40, 2174/3.0=8...(50) * HD3 LYS 47 + HB2 LYS 47 OK 81 100 - 81 - 3.9=40, 2174/3.0=8...(50) HD2 LYS 24 - HB3 LYS 24 OK 32 38 - 84 - 3.6=55, 3.0/1098=7...(40) HD2 LYS 24 - HB2 LYS 24 OK 32 38 - 84 - 3.6=55, 3.0/1098=7...(40) HD3 LYS 24 - HB3 LYS 24 OK 30 36 - 84 - 3.6=55, 3.0/1097=7...(40) HD3 LYS 24 - HB2 LYS 24 OK 30 36 - 84 - 3.6=55, 3.0/1097=7...(40) HB3 ARG 91 - HB2 LYS 47 OK 28 100 - 28 - 1.8/2138=3, 3.0/1959=2...(14) HD2 LYS 24 - HB2 LYS 47 OK 22 81 - 28 - 3.0/1098=1, 2152/1.8=1...(5) HD3 LYS 24 - HB2 LYS 47 OK 21 77 - 28 - 3.0/1097=1, 2152/1.8=1...(5) HD2 LYS 13 - HB2 LYS 47 OK 19 61 - 31 - 3.0/2138=2, 3.6/2137=1...(9) HD2 LYS 73 - HB2 LYS 47 OK 18 81 - 23 - 2174/3.0=1, 2152/1.8=1 HD2 LYS 20 - HB2 LYS 47 OK 18 99 - 18 - 2174/3.0=1, 2181=1, 2152/1.8=1 HD3 LYS 20 - HB2 LYS 47 OK 17 97 - 18 - 2174/3.0=1, 2152/1.8=1 HD3 LYS 73 - HB2 LYS 47 OK 17 73 - 23 - 3.0/2138=1, 2174/3.0=1 HD2 LYS 47 - HB2 LYS 24 OK 16 55 - 29 - 3.0/2170=3, 2192=2...(11) HD2 LYS 47 - HB3 LYS 24 OK 16 55 - 29 - 3.0/2170=3, 2192=2...(11) HD3 LYS 47 - HB2 LYS 24 OK 16 56 - 29 - 3.0/2170=3, 2192=2...(11) HD3 LYS 47 - HB3 LYS 24 OK 16 56 - 29 - 3.0/2170=3, 2192=2...(11) HG3 LYS 20 - HB2 LYS 47 OK 14 97 - 14 - 896/1.8=2, 2174/3.0=1 HD2 LYS 73 - HB3 LYS 24 OK 11 38 - 29 - 3.0/3273=1, 1.8/3295=1...(4) HD2 LYS 73 - HB2 LYS 24 OK 11 38 - 29 - 3.0/3273=1, 1.8/3295=1...(4) HD3 LYS 73 - HB3 LYS 24 poor 10 34 - 29 - 3.0/3273=1, 1.8/3284=1...(4) HD3 LYS 73 - HB2 LYS 24 poor 10 34 - 29 - 3.0/3273=1, 1.8/3284=1...(4) HD3 LYS 12 - HB2 LYS 24 poor 8 27 - 28 - 1101/2.9=1, ~464=1 HD3 LYS 12 - HB3 LYS 24 poor 8 27 - 28 - 1101/2.9=1, ~464=1 HD2 LYS 12 - HB2 LYS 24 poor 8 27 - 28 - 1101/2.9=1, ~464=1 HD2 LYS 12 - HB3 LYS 24 poor 8 27 - 28 - 1101/2.9=1, ~464=1 HD2 LYS 13 - HB3 LYS 24 poor 7 27 - 26 - HD2 LYS 13 - HB2 LYS 24 poor 7 27 - 26 - HD3 LYS 90 - HB2 LYS 24 poor 5 36 - 15 - ~3973=1, ~3963=1, ~3965=1 HD3 LYS 90 - HB3 LYS 24 poor 5 36 - 15 - ~3973=1, ~3963=1, ~3965=1 HB3 LYS 40 - HB2 LYS 47 lone 5 100 - 5 - 1795/4.7=1 HG2 PRO 86 - HB3 LYS 24 poor 5 44 - 10 - 3831/3.0=2, ~3823=1...(4) HG2 PRO 86 - HB2 LYS 24 poor 5 44 - 10 - 3831/3.0=2, ~3823=1...(4) HD3 LYS 12 - HB2 LYS 47 lone 4 61 - 6 - HD2 LYS 12 - HB2 LYS 47 lone 4 61 - 6 - HB ILE 52 - HB2 LYS 47 lone 3 90 - 3 - HG12 ILE 15 - HB2 LYS 47 lone 3 87 - 3 - HG LEU 70 - HB2 LYS 47 lone 2 70 - 3 - HD3 LYS 90 - HB2 LYS 47 lone 2 77 - 3 - HG2 PRO 86 - HB2 LYS 47 lone 2 90 - 2 - HB3 LYS 53 - HB2 LYS 47 lone 2 99 - 2 - HB3 ARG 91 - HB2 LYS 24 lone 2 55 - 3 - HB3 ARG 91 - HB3 LYS 24 lone 2 55 - 3 - HG12 ILE 15 - HB2 LYS 24 lone 1 42 - 3 - HG12 ILE 15 - HB3 LYS 24 lone 1 42 - 3 - HD2 LYS 20 - HB2 LYS 24 lone 1 54 - 1 - HD2 LYS 20 - HB3 LYS 24 lone 1 54 - 1 - HB3 LYS 53 - HB3 LYS 24 lone 1 54 - 1 - HB3 LYS 53 - HB2 LYS 24 lone 1 54 - 1 - HG LEU 70 - HB2 LYS 24 lone 1 32 - 2 - HG LEU 70 - HB3 LYS 24 lone 1 32 - 2 - HG3 LYS 20 - HB3 LYS 24 lone 1 51 - 1 - HG3 LYS 20 - HB2 LYS 24 lone 1 51 - 1 - HD3 LYS 20 - HB2 LYS 24 lone 1 51 - 1 - HD3 LYS 20 - HB3 LYS 24 lone 1 51 - 1 - HB3 LYS 40 - HB3 LYS 24 lone 1 55 - 1 - HB3 LYS 40 - HB2 LYS 24 lone 1 55 - 1 - HB ILE 52 - HB3 LYS 24 lone 1 44 - 1 - HB ILE 52 - HB2 LYS 24 lone 1 44 - 1 - Peak 2142 from cnoeabs.peaks (2.97, 1.97, 32.41 ppm; 3.99 A): 2 out of 30 assignments used, quality = 1.00: * HE2 LYS 47 + HB2 LYS 47 OK 95 100 - 95 - 4.9=55, 2217/3.0=16...(49) HE3 LYS 47 + HB2 LYS 47 OK 95 100 - 95 - 4.9=55, 2217/3.0=16...(49) HE2 LYS 24 - HB2 LYS 47 OK 40 87 - 46 - 2176/3.0=3, 2155/1.8=3...(23) HE3 LYS 24 - HB2 LYS 47 OK 40 87 - 46 - 2176/3.0=3, 2155/1.8=3...(23) HE2 LYS 24 - HB3 LYS 24 OK 38 42 - 89 - 4.9=53, 3.7/1098=9...(56) HE2 LYS 24 - HB2 LYS 24 OK 38 42 - 89 - 4.9=53, 3.7/1098=9...(56) HE3 LYS 24 - HB3 LYS 24 OK 38 42 - 89 - 4.9=53, 3.7/1098=9...(56) HE3 LYS 24 - HB2 LYS 24 OK 38 42 - 89 - 4.9=53, 3.7/1098=9...(56) HE2 LYS 13 - HB2 LYS 47 OK 35 81 - 43 - 2177/3.0=3, 2154/1.8=3...(22) HE3 LYS 13 - HB2 LYS 47 OK 31 73 - 43 - 2177/3.0=3, 3.8/2138=2...(22) HE3 LYS 47 - HB3 LYS 24 OK 25 56 - 46 - 12306/3.0=6, ~12306=4...(20) HE3 LYS 47 - HB2 LYS 24 OK 25 56 - 46 - 12306/3.0=6, ~12306=4...(20) HE2 LYS 47 - HB2 LYS 24 OK 25 56 - 46 - 12306/3.0=6, ~12306=4...(20) HE2 LYS 47 - HB3 LYS 24 OK 25 56 - 46 - 12306/3.0=6, ~12306=4...(20) HB3 PHE 45 - HB2 LYS 47 OK 17 97 - 18 - 6776/4.0=2, 4.5/6749=2...(7) HB2 PHE 45 - HB2 LYS 47 OK 16 94 - 17 - 6776/4.0=2, 4.5/6749=2...(7) HE2 LYS 13 - HB3 LYS 24 OK 16 38 - 42 - 1103/2.9=2, ~1104=2...(23) HE2 LYS 13 - HB2 LYS 24 OK 16 38 - 42 - 1103/2.9=2, ~1104=2...(23) HE3 LYS 12 - HB2 LYS 24 OK 15 48 - 32 - ~464=4, ~434=3...(11) HE3 LYS 12 - HB3 LYS 24 OK 15 48 - 32 - ~464=4, ~434=3...(11) HE3 LYS 13 - HB3 LYS 24 OK 14 34 - 42 - 1103/2.9=2, ~1104=2...(21) HE3 LYS 13 - HB2 LYS 24 OK 14 34 - 42 - 1103/2.9=2, ~1104=2...(21) HB2 SER 9 - HB2 LYS 47 OK 12 70 - 17 - 1.8/2133=4, ~10615=3...(4) HE3 LYS 12 - HB2 LYS 47 lone 7 94 - 7 - HB3 PHE 45 - HB2 LYS 24 lone 2 51 - 3 - HB3 PHE 45 - HB3 LYS 24 lone 2 51 - 3 - HB2 PHE 45 - HB2 LYS 24 lone 1 48 - 3 - HB2 PHE 45 - HB3 LYS 24 lone 1 48 - 3 - HB2 SER 9 - HB2 LYS 24 lone 1 32 - 3 - HB2 SER 9 - HB3 LYS 24 lone 1 32 - 3 - Peak 2143 from cnoeabs.peaks (2.97, 1.97, 32.41 ppm; 3.99 A): 2 out of 30 assignments used, quality = 1.00: HE2 LYS 47 + HB2 LYS 47 OK 95 100 - 95 - 4.9=55, 2217/3.0=16...(49) * HE3 LYS 47 + HB2 LYS 47 OK 95 100 - 95 - 4.9=55, 2217/3.0=16...(49) HE2 LYS 24 - HB2 LYS 47 OK 40 87 - 46 - 2176/3.0=3, 2155/1.8=3...(23) HE3 LYS 24 - HB2 LYS 47 OK 40 87 - 46 - 2176/3.0=3, 2155/1.8=3...(23) HE2 LYS 24 - HB3 LYS 24 OK 38 42 - 89 - 4.9=53, 3.7/1098=9...(56) HE2 LYS 24 - HB2 LYS 24 OK 38 42 - 89 - 4.9=53, 3.7/1098=9...(56) HE3 LYS 24 - HB3 LYS 24 OK 38 42 - 89 - 4.9=53, 3.7/1098=9...(56) HE3 LYS 24 - HB2 LYS 24 OK 38 42 - 89 - 4.9=53, 3.7/1098=9...(56) HE2 LYS 13 - HB2 LYS 47 OK 35 81 - 43 - 2177/3.0=3, 2154/1.8=3...(22) HE3 LYS 13 - HB2 LYS 47 OK 31 73 - 43 - 2177/3.0=3, 3.8/2138=2...(22) HE3 LYS 47 - HB3 LYS 24 OK 25 56 - 46 - 12306/3.0=6, ~12306=4...(20) HE3 LYS 47 - HB2 LYS 24 OK 25 56 - 46 - 12306/3.0=6, ~12306=4...(20) HE2 LYS 47 - HB2 LYS 24 OK 25 56 - 46 - 12306/3.0=6, ~12306=4...(20) HE2 LYS 47 - HB3 LYS 24 OK 25 56 - 46 - 12306/3.0=6, ~12306=4...(20) HB3 PHE 45 - HB2 LYS 47 OK 17 97 - 18 - 6776/4.0=2, 4.5/6749=2...(7) HB2 PHE 45 - HB2 LYS 47 OK 16 94 - 17 - 6776/4.0=2, 4.5/6749=2...(7) HE2 LYS 13 - HB3 LYS 24 OK 16 38 - 42 - 1103/2.9=2, ~1104=2...(23) HE2 LYS 13 - HB2 LYS 24 OK 16 38 - 42 - 1103/2.9=2, ~1104=2...(23) HE3 LYS 12 - HB2 LYS 24 OK 15 48 - 32 - ~464=4, ~434=3...(11) HE3 LYS 12 - HB3 LYS 24 OK 15 48 - 32 - ~464=4, ~434=3...(11) HE3 LYS 13 - HB3 LYS 24 OK 14 34 - 42 - 1103/2.9=2, ~1104=2...(21) HE3 LYS 13 - HB2 LYS 24 OK 14 34 - 42 - 1103/2.9=2, ~1104=2...(21) HB2 SER 9 - HB2 LYS 47 OK 12 70 - 17 - 1.8/2133=4, ~10615=3...(4) HE3 LYS 12 - HB2 LYS 47 lone 7 94 - 7 - HB3 PHE 45 - HB2 LYS 24 lone 2 51 - 3 - HB3 PHE 45 - HB3 LYS 24 lone 2 51 - 3 - HB2 PHE 45 - HB2 LYS 24 lone 1 48 - 3 - HB2 PHE 45 - HB3 LYS 24 lone 1 48 - 3 - HB2 SER 9 - HB2 LYS 24 lone 1 32 - 3 - HB2 SER 9 - HB3 LYS 24 lone 1 32 - 3 - Peak 2144 from cnoeabs.peaks (7.62, 1.97, 32.41 ppm; 3.59 A): 4 out of 15 assignments used, quality = 0.89: * H GLU 48 + HB2 LYS 47 OK 75 100 - 75 - 4.7=46, 6780/4.0=14...(11) H GLU 44 + HB2 LYS 47 OK 41 81 - 51 - 3.0/1999=13, 2132/3.0=6...(15) H GLU 48 + HB2 LYS 24 OK 13 56 - 23 - 6782=5, 6782/1.8=4...(7) H GLU 48 + HB3 LYS 24 OK 13 56 - 23 - 6782=5, 6782/1.8=4...(7) HE22 GLN 50 - HB2 LYS 47 lone 9 96 - 9 - 2178/3.0=1, 2156/1.8=1...(4) HD22 ASN 10 - HB2 LYS 47 lone 8 92 - 9 - 2156/1.8=1, 2178/3.0=1...(4) H LYS 40 - HB2 LYS 47 lone 6 70 - 9 - H GLU 44 - HB3 LYS 24 lone 2 38 - 5 - 3.0/1999=1 H GLU 44 - HB2 LYS 24 lone 2 38 - 5 - 3.0/1999=1 HE22 GLN 50 - HB2 LYS 24 lone 1 49 - 1 - HE22 GLN 50 - HB3 LYS 24 lone 1 49 - 1 - H LYS 40 - HB3 LYS 24 lone 0 32 - 1 - H LYS 40 - HB2 LYS 24 lone 0 32 - 1 - HD22 ASN 10 - HB2 LYS 24 lone 0 46 - 1 - HD22 ASN 10 - HB3 LYS 24 lone 0 46 - 1 - Peak 2145 from cnoeabs.peaks (3.94, 1.92, 32.41 ppm; 4.42 A): 6 out of 8 assignments used, quality = 0.95: * HA GLU 44 + HB3 LYS 47 OK 73 100 - 74 - 1999/1.8=20, 2000=20...(15) HB2 SER 97 + HB2 LYS 94 OK 38 72 - 53 - 4182/3.0=20, ~4183=16...(8) HA TYR 41 + HB3 LYS 47 OK 31 92 - 34 - 2133/1.8=8, 10615/3.0=7...(11) HA GLU 44 + HB2 LYS 94 OK 31 92 - 34 - 2000=8, 4182/3.0=6...(11) HB3 SER 9 + HB3 LYS 47 OK 22 90 - 25 - 2133/1.8=5, 10615/3.0=5...(6) HA TYR 41 + HB2 LYS 94 OK 10 80 - 13 - 10584/4.0=3, 4.8/4186=1 HB2 SER 97 - HB3 LYS 47 lone 7 84 - 8 - 4182/4172=2, 2133/1.8=1 HB3 SER 9 - HB2 LYS 94 lone 2 78 - 3 - Peak 2146 from cnoeabs.peaks (7.47, 1.92, 32.41 ppm; 3.50 A): 2 out of 12 assignments used, quality = 0.94: * H LYS 47 + HB3 LYS 47 OK 90 100 - 90 - 4.0=65, 6773/3.0=20...(18) H ARG 91 + HB3 LYS 47 OK 40 100 - 41 - 2168/3.0=7, 2134/1.8=6...(15) H LYS 47 - HB2 LYS 94 OK 32 92 - 35 - 6771=7, 6773/3.5=7...(10) HE ARG 46 - HB3 LYS 47 OK 26 100 - 27 - 2134/1.8=5, 2122/3.0=4...(12) H ARG 91 - HB2 LYS 94 OK 24 91 - 27 - 10980/4.0=6, 7449/4.6=4...(7) HD22 ASN 26 - HB3 LYS 47 lone 9 99 - 8 - 2122/3.0=2, 2134/1.8=2 HE ARG 46 - HB2 LYS 94 lone 4 91 - 5 - HE ARG 19 - HB2 LYS 94 lone 4 47 - 9 - 3.6/811=2, 3.6/820=2 HE ARG 19 - HB3 LYS 47 lone 2 57 - 4 - HD22 ASN 26 - HB2 LYS 94 lone 2 90 - 2 - HZ2 TRP 92 - HB3 LYS 47 lone 1 61 - 2 - HZ2 TRP 92 - HB2 LYS 94 lone 0 51 - 1 - Peak 2147 from cnoeabs.peaks (4.14, 1.92, 32.41 ppm; 3.21 A): 1 out of 16 assignments used, quality = 1.00: * HA LYS 47 + HB3 LYS 47 OK 100 100 - 100 - 3.0=100 HA LYS 47 - HB2 LYS 94 OK 40 92 - 44 - 2125=7, 2127/3.5=6...(20) HA LYS 13 - HB3 LYS 47 OK 27 90 - 31 - 2169/3.0=4, 2135/1.8=3...(13) HA GLN 72 - HB3 LYS 47 OK 23 90 - 25 - 2169/3.0=3, ~10839=3...(10) HA MET 1 - HB3 LYS 47 OK 17 81 - 21 - 7/1.8=3, ~21=2, ~14=2...(7) HA GLU 23 - HB2 LYS 94 OK 12 91 - 13 - 1012/4.0=2, 3.0/4185=1...(6) HA GLU 23 - HB3 LYS 47 lone 10 100 - 10 - 2135/1.8=1, 2169/3.0=1 HA LYS 13 - HB2 LYS 94 lone 6 78 - 8 - HA GLN 72 - HB2 LYS 94 lone 5 78 - 7 - ~10841=2, ~12256=1 HA MET 1 - HB2 LYS 94 lone 2 69 - 3 - HB2 SER 59 - HB3 LYS 47 lone 2 77 - 3 - HA GLU 104 - HB2 LYS 94 lone 2 58 - 3 - ~4181=1 HA GLU 99 - HB3 LYS 47 lone 1 57 - 2 - HA GLU 104 - HB3 LYS 47 lone 1 70 - 1 - HA GLU 99 - HB2 LYS 94 lone 1 47 - 2 - HB2 SER 59 - HB2 LYS 94 lone 1 65 - 1 - Peak 2148 from cnoeabs.peaks (1.97, 1.92, 32.41 ppm; 2.40 A): 1 out of 20 assignments used, quality = 1.00: * HB2 LYS 47 + HB3 LYS 47 OK 100 100 - 100 - 1.8=100 HB2 LYS 47 - HB2 LYS 94 OK 33 92 - 36 - 2137=6, 2139/3.5=3...(17) HB3 LYS 24 - HB3 LYS 47 OK 20 98 - 20 - 2137=2, 2124/3.0=2...(4) HB2 LYS 24 - HB3 LYS 47 OK 20 98 - 20 - 2137=2, 2124/3.0=2...(4) HB3 ARG 46 - HB3 LYS 47 OK 13 94 - 14 - 4.7/6771=3, 2124/3.0=2 HB2 ARG 46 - HB3 LYS 47 OK 13 98 - 13 - 4.7/6771=3, 2124/3.0=2 HB2 LYS 73 - HB3 LYS 47 OK 12 90 - 14 - 2170/3.0=1, 2.9/2150=1 HB3 LYS 73 - HB3 LYS 47 OK 12 87 - 14 - 2170/3.0=1, 2.9/2150=1 QE MET 1 - HB3 LYS 47 lone 8 96 - 8 - 38=1 HB3 MET 74 - HB3 LYS 47 lone 3 98 - 3 - HB2 GLU 37 - HB3 LYS 47 lone 3 94 - 3 - HB2 ARG 46 - HB2 LYS 94 lone 2 88 - 3 - HB3 ARG 46 - HB2 LYS 94 lone 2 82 - 3 - HB3 LYS 24 - HB2 LYS 94 lone 2 88 - 2 - HB2 LYS 24 - HB2 LYS 94 lone 2 88 - 2 - HB2 LYS 73 - HB2 LYS 94 lone 2 78 - 2 - HB3 LYS 73 - HB2 LYS 94 lone 2 75 - 2 - QE MET 1 - HB2 LYS 94 lone 1 84 - 1 - HB2 GLU 37 - HB2 LYS 94 lone 1 82 - 1 - HB3 MET 74 - HB2 LYS 94 lone 1 88 - 1 - Peak 2149 from cnoeabs.peaks (1.92, 1.92, 32.41 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 47 + HB3 LYS 47 OK 100 100 - 100 HB2 LYS 94 + HB2 LYS 94 OK 91 91 - 100 Peak 2150 from cnoeabs.peaks (1.49, 1.92, 32.41 ppm; 3.35 A): 3 out of 22 assignments used, quality = 1.00: * HG2 LYS 47 + HB3 LYS 47 OK 100 100 - 100 - 3.0=100 HG2 LYS 47 + HB2 LYS 94 OK 53 92 - 58 - 1.8/2171=8, ~4203=7...(28) HB2 ARG 91 + HB3 LYS 47 OK 47 99 - 48 - 4025/4.0=5, 2126/3.0=5...(26) HG3 LYS 13 - HB3 LYS 47 OK 40 98 - 41 - 2172/3.0=4, 2126/3.0=4...(16) HG2 LYS 73 - HB3 LYS 47 OK 35 100 - 35 - 2162/3.0=4, 2126/3.0=3...(14) HG3 LYS 24 - HB3 LYS 47 OK 25 70 - 36 - 2.9/2148=3, 2.9/2148=3...(15) HG2 LYS 66 - HB2 LYS 94 OK 12 92 - 13 - 2.9/4192=1, ~4204=1, 12155/1.8=1 HG3 LYS 66 - HB2 LYS 94 OK 12 91 - 13 - 2.9/4192=1, ~4204=1 HB2 ARG 91 - HB2 LYS 94 OK 11 89 - 13 - ~4196=3, 3.0/4184=2...(4) HG3 LYS 33 - HB3 LYS 47 poor 10 84 - 11 - 1.8/1448=1 HG2 LYS 73 - HB2 LYS 94 lone 8 92 - 8 - HG2 LYS 66 - HB3 LYS 47 lone 7 100 - 7 - HG3 LYS 66 - HB3 LYS 47 lone 7 100 - 7 - HB3 LEU 64 - HB2 LYS 94 lone 7 92 - 8 - HG3 LYS 13 - HB2 LYS 94 lone 7 88 - 8 - HB3 LEU 64 - HB3 LYS 47 lone 5 100 - 5 - HG LEU 64 - HB2 LYS 94 lone 5 78 - 6 - HG LEU 57 - HB3 LYS 47 lone 5 92 - 5 - HG LEU 64 - HB3 LYS 47 lone 4 90 - 4 - HG3 LYS 33 - HB2 LYS 94 lone 3 72 - 4 - HG3 LYS 24 - HB2 LYS 94 lone 3 58 - 5 - HG LEU 57 - HB2 LYS 94 lone 1 80 - 2 - Peak 2151 from cnoeabs.peaks (1.62, 1.92, 32.41 ppm; 3.18 A): 4 out of 10 assignments used, quality = 1.00: * HG3 LYS 47 + HB3 LYS 47 OK 100 100 - 100 - 3.0=100 HD2 LYS 94 + HB2 LYS 94 OK 84 91 - 92 - 3.5=76, 4235/2.9=17...(28) HD2 LYS 94 + HB3 LYS 47 OK 60 100 - 60 - 2139/1.8=9, 4232=7...(26) HG3 LYS 47 + HB2 LYS 94 OK 58 92 - 63 - 2171=10, 4203/1.8=9...(30) HB2 ARG 30 - HB2 LYS 94 OK 14 51 - 28 - ~4202=4, 1.8/4190=4...(10) HG2 LYS 68 - HB2 LYS 94 OK 13 47 - 27 - 4203/1.8=3, 4214/2.9=3...(14) HD3 LYS 39 - HB2 LYS 94 poor 8 51 - 16 - 4203/1.8=2, 4214/2.9=2...(5) HG2 LYS 68 - HB3 LYS 47 lone 2 57 - 4 - HD3 LYS 39 - HB3 LYS 47 lone 2 61 - 3 - HB2 ARG 30 - HB3 LYS 47 lone 1 61 - 2 - Peak 2152 from cnoeabs.peaks (1.68, 1.92, 32.41 ppm; 3.16 A): 2 out of 34 assignments used, quality = 0.99: * HD2 LYS 47 + HB3 LYS 47 OK 88 100 - 88 - 3.9=51, 2174/3.0=9...(50) HD3 LYS 47 + HB3 LYS 47 OK 88 100 - 88 - 3.9=51, 2174/3.0=9...(50) HB3 ARG 91 - HB3 LYS 47 OK 31 100 - 32 - 1.8/2150=4, 3.0/4184=3...(15) HD2 LYS 47 - HB2 LYS 94 OK 31 92 - 34 - 3.0/2171=5, ~4203=4...(15) HD3 LYS 47 - HB2 LYS 94 OK 30 92 - 34 - 3.0/2171=5, ~4203=4...(15) HD2 LYS 24 - HB3 LYS 47 OK 28 77 - 37 - 3.6/2148=2, 3.6/2148=2...(10) HD3 LYS 24 - HB3 LYS 47 OK 27 73 - 36 - 3.6/2148=2, 3.6/2148=2...(9) HD2 LYS 73 - HB3 LYS 47 OK 25 84 - 30 - 3.0/2150=2, 2174/3.0=2...(8) HD2 LYS 20 - HB2 LYS 94 OK 25 91 - 28 - ~4205=2, ~4206=2...(9) HD3 LYS 20 - HB2 LYS 94 OK 24 88 - 27 - ~4205=2, ~4206=2...(10) HD3 LYS 73 - HB3 LYS 47 OK 23 77 - 30 - 3.0/2150=2, 3.0/4192=1...(8) HD2 LYS 20 - HB3 LYS 47 OK 21 100 - 21 - 2.8/896=2, 2174/3.0=2...(5) HD3 LYS 20 - HB3 LYS 47 OK 20 98 - 21 - 2.8/896=2, 2174/3.0=1...(4) HG3 LYS 20 - HB3 LYS 47 OK 20 98 - 20 - 896=2, 1.8/885=2, 2174/3.0=1 HG LEU 70 - HB2 LYS 94 OK 16 55 - 29 - 3.0/4190=3, ~4202=3...(16) HG3 LYS 20 - HB2 LYS 94 OK 14 88 - 16 - 896=2, 3.6/4193=1...(6) HB3 ARG 91 - HB2 LYS 94 OK 11 91 - 12 - ~4196=2, 3.0/4184=2...(4) HB3 LYS 40 - HB2 LYS 94 lone 8 91 - 9 - 3.0/4186=1, ~4198=1, 1796/3.0=1 HG2 PRO 86 - HB2 LYS 94 poor 8 75 - 11 - 3.8/9894=2, ~9882=1...(6) HB3 LYS 40 - HB3 LYS 47 lone 5 100 - 5 - 1795/4.7=1 HD3 LYS 90 - HB2 LYS 94 lone 5 62 - 7 - ~10310=2 HD2 LYS 73 - HB2 LYS 94 lone 4 72 - 5 - HG2 PRO 86 - HB3 LYS 47 lone 3 87 - 4 - 3.8/9894=1 HD3 LYS 73 - HB2 LYS 94 lone 3 65 - 5 - HB ILE 52 - HB3 LYS 47 lone 3 92 - 3 - 6786/4.7=1 HG12 ILE 15 - HB3 LYS 47 lone 3 84 - 3 - HG12 ILE 15 - HB2 LYS 94 lone 3 72 - 4 - HD3 LYS 90 - HB3 LYS 47 lone 2 73 - 3 - 3989/4.0=1 HD2 LYS 24 - HB2 LYS 94 lone 2 65 - 3 - HD3 LYS 24 - HB2 LYS 94 lone 2 62 - 3 - HG LEU 70 - HB3 LYS 47 lone 2 65 - 3 - HB3 LYS 53 - HB3 LYS 47 lone 2 99 - 2 - HB3 LYS 53 - HB2 LYS 94 lone 2 89 - 2 - HB ILE 52 - HB2 LYS 94 lone 1 80 - 2 - Peak 2153 from cnoeabs.peaks (1.68, 1.92, 32.41 ppm; 3.16 A): 2 out of 40 assignments used, quality = 0.99: HD2 LYS 47 + HB3 LYS 47 OK 88 100 - 88 - 3.9=51, 2174/3.0=9...(50) * HD3 LYS 47 + HB3 LYS 47 OK 88 100 - 88 - 3.9=51, 2174/3.0=9...(50) HB3 ARG 91 - HB3 LYS 47 OK 31 100 - 32 - 1.8/2150=4, 3.0/4184=3...(15) HD3 LYS 47 - HB2 LYS 94 OK 31 92 - 34 - 3.0/2171=5, ~4203=4...(15) HD2 LYS 47 - HB2 LYS 94 OK 30 92 - 34 - 3.0/2171=5, ~4203=4...(15) HD2 LYS 24 - HB3 LYS 47 OK 29 81 - 37 - 3.6/2148=2, 3.6/2148=2...(10) HD3 LYS 24 - HB3 LYS 47 OK 28 77 - 36 - 3.6/2148=2, 3.6/2148=2...(9) HD2 LYS 20 - HB2 LYS 94 OK 25 90 - 28 - ~4205=2, ~4206=2...(9) HD2 LYS 73 - HB3 LYS 47 OK 24 81 - 30 - 3.0/2150=2, 2174/3.0=2...(8) HD3 LYS 20 - HB2 LYS 94 OK 23 86 - 27 - ~4205=2, ~4206=2...(10) HD3 LYS 73 - HB3 LYS 47 OK 22 73 - 30 - 3.0/2150=2, 3.0/4192=1...(8) HD2 LYS 20 - HB3 LYS 47 OK 21 99 - 21 - 2.8/896=2, 2174/3.0=2...(5) HD2 LYS 13 - HB3 LYS 47 OK 21 61 - 35 - 3.0/519=2, 3.0/2150=2...(12) HD3 LYS 20 - HB3 LYS 47 OK 20 97 - 21 - 2.8/896=2, 2174/3.0=1...(4) HG3 LYS 20 - HB3 LYS 47 OK 19 97 - 20 - 896=2, 1.8/885=2, 2174/3.0=1 HG LEU 70 - HB2 LYS 94 OK 17 58 - 29 - 3.0/4190=3, ~4202=3...(16) HG3 LYS 20 - HB2 LYS 94 OK 13 86 - 16 - 896=2, 3.6/4193=1...(6) HB3 ARG 91 - HB2 LYS 94 OK 11 92 - 12 - ~4196=2, 3.0/4184=2...(4) HB3 LYS 40 - HB2 LYS 94 lone 8 91 - 9 - 3.0/4186=1, ~4198=1, 1796/3.0=1 HG2 PRO 86 - HB2 LYS 94 poor 8 78 - 11 - 3.8/9894=2, ~9882=1...(6) HD3 LYS 90 - HB2 LYS 94 lone 5 65 - 7 - ~10310=2 HD3 LYS 12 - HB3 LYS 47 lone 5 61 - 8 - HD2 LYS 12 - HB3 LYS 47 lone 5 61 - 8 - HB3 LYS 40 - HB3 LYS 47 lone 5 100 - 5 - 1795/4.7=1 HG2 PRO 86 - HB3 LYS 47 lone 3 90 - 4 - 3.8/9894=1 HD2 LYS 73 - HB2 LYS 94 lone 3 69 - 5 - HD3 LYS 73 - HB2 LYS 94 lone 3 62 - 5 - HB ILE 52 - HB3 LYS 47 lone 3 90 - 3 - 6786/4.7=1 HD3 LYS 12 - HB2 LYS 94 lone 3 51 - 6 - HD2 LYS 12 - HB2 LYS 94 lone 3 51 - 6 - HG12 ILE 15 - HB3 LYS 47 lone 3 87 - 3 - HG12 ILE 15 - HB2 LYS 94 lone 3 75 - 4 - HD3 LYS 90 - HB3 LYS 47 lone 3 77 - 4 - 3989/4.0=1 HD2 LYS 24 - HB2 LYS 94 lone 2 69 - 3 - HD3 LYS 24 - HB2 LYS 94 lone 2 65 - 3 - HG LEU 70 - HB3 LYS 47 lone 2 70 - 3 - HB3 LYS 53 - HB3 LYS 47 lone 2 99 - 2 - HB3 LYS 53 - HB2 LYS 94 lone 2 90 - 2 - HD2 LYS 13 - HB2 LYS 94 lone 2 51 - 3 - HB ILE 52 - HB2 LYS 94 lone 1 78 - 2 - Peak 2154 from cnoeabs.peaks (2.97, 1.92, 32.41 ppm; 4.30 A): 4 out of 20 assignments used, quality = 1.00: HE3 LYS 47 + HB3 LYS 47 OK 97 100 - 97 - 4.9=69, 2206/3.0=17...(47) * HE2 LYS 47 + HB3 LYS 47 OK 97 100 - 97 - 4.9=69, 2206/3.0=17...(47) HE2 LYS 24 + HB3 LYS 47 OK 45 87 - 52 - 2176/3.0=4, 2131/3.0=3...(28) HE3 LYS 24 + HB3 LYS 47 OK 45 87 - 52 - 2176/3.0=4, 2131/3.0=3...(28) HE2 LYS 13 - HB3 LYS 47 OK 40 81 - 50 - 3.8/519=3, 2177/3.0=3...(22) HE3 LYS 13 - HB3 LYS 47 OK 36 73 - 49 - 3.8/519=3, 3.8/2150=3...(22) HE2 LYS 47 - HB2 LYS 94 OK 31 92 - 34 - 3.8/2171=7, 3.8/2150=4...(14) HE3 LYS 47 - HB2 LYS 94 OK 31 92 - 34 - 3.8/2171=7, 3.8/2150=4...(14) HB3 PHE 45 - HB3 LYS 47 OK 18 97 - 19 - 6777/4.0=3, 3.7/4185=2...(6) HB2 PHE 45 - HB3 LYS 47 OK 18 94 - 19 - 6776/4.0=3, 3.7/4185=2...(6) HB2 SER 9 - HB3 LYS 47 OK 13 70 - 19 - 1.8/2145=4, ~2133=4...(5) HE3 LYS 12 - HB3 LYS 47 lone 9 94 - 9 - HB3 PHE 45 - HB2 LYS 94 lone 7 86 - 8 - 3.7/4185=3, 2049/4.0=3 HB2 PHE 45 - HB2 LYS 94 lone 6 82 - 8 - 3.7/4185=3, 2040/4.0=3 HE3 LYS 12 - HB2 LYS 94 lone 5 82 - 6 - ~460=1 HE2 LYS 13 - HB2 LYS 94 lone 4 69 - 5 - HE2 LYS 24 - HB2 LYS 94 lone 3 75 - 4 - HE3 LYS 24 - HB2 LYS 94 lone 3 75 - 4 - HE3 LYS 13 - HB2 LYS 94 lone 3 62 - 5 - HB2 SER 9 - HB2 LYS 94 lone 1 58 - 2 - Peak 2155 from cnoeabs.peaks (2.97, 1.92, 32.41 ppm; 4.30 A): 4 out of 20 assignments used, quality = 1.00: * HE3 LYS 47 + HB3 LYS 47 OK 97 100 - 97 - 4.9=69, 2206/3.0=17...(47) HE2 LYS 47 + HB3 LYS 47 OK 97 100 - 97 - 4.9=69, 2206/3.0=17...(47) HE2 LYS 24 + HB3 LYS 47 OK 45 87 - 52 - 2176/3.0=4, 2131/3.0=3...(28) HE3 LYS 24 + HB3 LYS 47 OK 45 87 - 52 - 2176/3.0=4, 2131/3.0=3...(28) HE2 LYS 13 - HB3 LYS 47 OK 40 81 - 50 - 3.8/519=3, 2177/3.0=3...(22) HE3 LYS 13 - HB3 LYS 47 OK 36 73 - 49 - 3.8/519=3, 3.8/2150=3...(22) HE2 LYS 47 - HB2 LYS 94 OK 31 92 - 34 - 3.8/2171=7, 3.8/2150=4...(14) HE3 LYS 47 - HB2 LYS 94 OK 31 92 - 34 - 3.8/2171=7, 3.8/2150=4...(14) HB3 PHE 45 - HB3 LYS 47 OK 18 97 - 19 - 6777/4.0=3, 3.7/4185=2...(6) HB2 PHE 45 - HB3 LYS 47 OK 18 94 - 19 - 6776/4.0=3, 3.7/4185=2...(6) HB2 SER 9 - HB3 LYS 47 OK 13 70 - 19 - 1.8/2145=4, ~2133=4...(5) HE3 LYS 12 - HB3 LYS 47 lone 9 94 - 9 - HB3 PHE 45 - HB2 LYS 94 lone 7 86 - 8 - 3.7/4185=3, 2049/4.0=3 HB2 PHE 45 - HB2 LYS 94 lone 6 82 - 8 - 3.7/4185=3, 2040/4.0=3 HE3 LYS 12 - HB2 LYS 94 lone 5 82 - 6 - ~460=1 HE2 LYS 13 - HB2 LYS 94 lone 4 69 - 5 - HE2 LYS 24 - HB2 LYS 94 lone 3 75 - 4 - HE3 LYS 24 - HB2 LYS 94 lone 3 75 - 4 - HE3 LYS 13 - HB2 LYS 94 lone 3 62 - 5 - HB2 SER 9 - HB2 LYS 94 lone 1 58 - 2 - Peak 2156 from cnoeabs.peaks (7.62, 1.92, 32.41 ppm; 4.17 A): 2 out of 10 assignments used, quality = 0.96: * H GLU 48 + HB3 LYS 47 OK 91 100 - 91 - 4.7=72, 2144/1.8=20...(11) H GLU 44 + HB3 LYS 47 OK 52 81 - 65 - 3.0/2000=14, 2144/1.8=11...(17) H GLU 48 - HB2 LYS 94 OK 28 92 - 31 - 6785/3.5=7, 6783=6...(8) H GLU 44 - HB2 LYS 94 OK 21 69 - 31 - 3.0/2000=6, 6715/4.0=4...(10) HE22 GLN 50 - HB3 LYS 47 OK 12 96 - 12 - 2144/1.8=2, 2178/3.0=2...(5) HD22 ASN 10 - HB3 LYS 47 OK 12 92 - 12 - 2144/1.8=2, 2178/3.0=2...(5) H LYS 40 - HB2 LYS 94 poor 8 58 - 13 - ~4198=2, 2.9/4186=2...(8) H LYS 40 - HB3 LYS 47 poor 7 70 - 10 - 2144/1.8=2, 2178/3.0=1...(5) HE22 GLN 50 - HB2 LYS 94 lone 5 84 - 6 - 9090/1.8=3, 4.5/4188=1 HD22 ASN 10 - HB2 LYS 94 lone 4 80 - 4 - Peak 2157 from cnoeabs.peaks (7.47, 1.49, 25.00 ppm; 4.04 A): 2 out of 18 assignments used, quality = 0.97: * H LYS 47 + HG2 LYS 47 OK 92 100 - 92 - 4.9=55, 6773/1.8=32...(18) H ARG 91 + HG2 LYS 47 OK 57 100 - 58 - 2168/1.8=11, 7442=10...(22) H LYS 47 - HG3 LYS 13 OK 36 87 - 42 - 6772=7, 2.9/2126=5...(16) HE ARG 46 - HG2 LYS 47 OK 30 100 - 30 - 2168/1.8=6, 2134/3.0=4...(13) H LYS 47 - HG2 LYS 73 OK 26 100 - 26 - 6772=4, 2.9/2126=4...(10) H ARG 91 - HG2 LYS 73 OK 12 100 - 12 - 7442=2, 7436/1.8=1 HD22 ASN 26 - HG2 LYS 47 OK 12 99 - 11 - 2168/1.8=2, 2122/3.9=2...(5) H ARG 91 - HG3 LYS 13 lone 8 86 - 9 - 7442=1 HE ARG 46 - HG2 LYS 73 lone 5 100 - 5 - HD22 ASN 26 - HG2 LYS 73 lone 4 99 - 4 - 6427/4.9=2, 5.5/3260=1 HE ARG 46 - HG3 LYS 13 lone 3 86 - 3 - HZ2 TRP 92 - HG2 LYS 47 lone 2 61 - 3 - HE ARG 19 - HG2 LYS 47 lone 2 57 - 3 - HD22 ASN 26 - HG3 LYS 13 lone 2 85 - 2 - HE ARG 19 - HG2 LYS 73 lone 1 57 - 1 - HE ARG 19 - HG3 LYS 13 lone 1 44 - 2 - HZ2 TRP 92 - HG2 LYS 73 lone 1 61 - 1 - HZ2 TRP 92 - HG3 LYS 13 lone 1 47 - 1 - Peak 2158 from cnoeabs.peaks (4.14, 1.49, 25.00 ppm; 3.16 A): 2 out of 24 assignments used, quality = 0.94: * HA LYS 47 + HG2 LYS 47 OK 86 100 - 86 - 3.9=53, 2127/1.8=19...(26) HA LYS 13 + HG3 LYS 13 OK 58 72 - 80 - 3.9=53, 518/1.8=10...(21) HA LYS 47 - HG3 LYS 13 OK 30 87 - 35 - 2126=7, 518/1.8=4...(14) HA LYS 13 - HG2 LYS 47 OK 28 90 - 31 - 2169/1.8=5, 486=3...(13) HA GLN 72 - HG2 LYS 47 OK 26 90 - 30 - 3.0/12182=4, 2169/1.8=4...(11) HA LYS 47 - HG2 LYS 73 OK 26 100 - 26 - 2126=5, 3.9/2162=2...(10) HA GLN 72 - HG2 LYS 73 OK 19 89 - 21 - 3.6/3260=7, 3.0/12182=4...(7) HA MET 1 - HG2 LYS 47 OK 13 81 - 16 - 7/3.0=3, 2169/1.8=2...(5) HA LYS 13 - HG2 LYS 73 OK 12 89 - 13 - 486=2, 2.9/6177=2...(5) HA GLU 23 - HG2 LYS 47 lone 9 100 - 9 - 2169/1.8=2 HA GLN 72 - HG3 LYS 13 poor 9 72 - 12 - 3.6/7207=2, 518/1.8=2...(5) HA MET 1 - HG2 LYS 73 lone 8 80 - 9 - 7/2.9=1, 3/2.9=1, 7197/4.9=1 HA GLU 23 - HG3 LYS 13 lone 4 86 - 5 - HA GLU 23 - HG2 LYS 73 lone 4 100 - 4 - HB2 SER 59 - HG2 LYS 73 lone 4 77 - 5 - ~9582=2, ~9580=1 HA MET 1 - HG3 LYS 13 lone 3 64 - 5 - HB2 SER 59 - HG2 LYS 47 lone 2 77 - 2 - HB2 SER 59 - HG3 LYS 13 lone 2 61 - 3 - HA GLU 104 - HG2 LYS 47 lone 1 70 - 1 - HA GLU 99 - HG2 LYS 47 lone 1 57 - 1 - HA GLU 104 - HG2 LYS 73 lone 1 69 - 1 - HA GLU 99 - HG2 LYS 73 lone 0 57 - 1 - HA GLU 104 - HG3 LYS 13 lone 0 54 - 1 - HA GLU 99 - HG3 LYS 13 lone 0 44 - 1 - Peak 2159 from cnoeabs.peaks (1.97, 1.49, 25.00 ppm; 3.03 A): 3 out of 30 assignments used, quality = 1.00: * HB2 LYS 47 + HG2 LYS 47 OK 100 100 - 100 - 3.0=100 HB2 LYS 73 + HG2 LYS 73 OK 89 89 - 100 - 2.9=100 HB3 LYS 73 + HG2 LYS 73 OK 86 86 - 100 - 2.9=100 HB3 LYS 24 - HG2 LYS 47 OK 32 98 - 33 - 2170/1.8=4, ~2170=2...(11) HB2 LYS 24 - HG2 LYS 47 OK 32 98 - 33 - 2170/1.8=4, ~2170=2...(11) HB2 LYS 47 - HG3 LYS 13 OK 31 87 - 37 - 2138=4, 3.0/2172=4...(14) HB3 LYS 24 - HG2 LYS 73 OK 30 98 - 31 - 3273/1.8=2, 2138=2...(9) HB2 LYS 24 - HG2 LYS 73 OK 30 98 - 31 - 3273/1.8=2, 2138=2...(9) HB2 LYS 73 - HG2 LYS 47 OK 29 90 - 32 - 2170/1.8=3, 3.0/3231=3...(12) HB3 LYS 73 - HG2 LYS 47 OK 28 87 - 32 - 3.0/3231=3, 2170/1.8=3...(12) HB2 LYS 47 - HG2 LYS 73 OK 26 100 - 27 - 3.0/2162=3, 2138=3...(7) HB3 ARG 46 - HG2 LYS 47 OK 19 94 - 20 - 4.7/6772=4, 2170/1.8=2...(8) HB2 ARG 46 - HG2 LYS 47 OK 18 98 - 18 - 4.7/6772=4, 2170/1.8=2...(6) HB3 MET 74 - HG2 LYS 73 OK 17 98 - 18 - 4.0/3270=3, ~3337=2...(10) HB2 LYS 24 - HG3 LYS 13 OK 16 83 - 19 - 2138=1, 2.9/3265=1 HB3 LYS 24 - HG3 LYS 13 OK 16 83 - 19 - 2138=1, 2.9/3265=1 HB2 LYS 73 - HG3 LYS 13 OK 13 72 - 18 - 3.0/3231=2, 2.9/3275=1...(4) HB3 LYS 73 - HG3 LYS 13 OK 13 70 - 18 - 3.0/3231=2, 2.9/3275=1...(4) QE MET 1 - HG2 LYS 47 OK 11 96 - 12 - 38/3.0=2, 37/3.9=1...(4) QE MET 1 - HG2 LYS 73 lone 9 95 - 9 - 38/2.9=1, 37/4.1=1, 38/2.9=1 HB3 MET 74 - HG2 LYS 47 lone 6 98 - 6 - 4.0/3270=1 HB2 GLU 37 - HG2 LYS 47 lone 5 94 - 5 - HB3 MET 74 - HG3 LYS 13 lone 4 83 - 5 - 4.0/7219=1 HB2 ARG 46 - HG2 LYS 73 lone 4 98 - 4 - HB3 ARG 46 - HG2 LYS 73 lone 4 94 - 4 - HB2 GLU 37 - HG2 LYS 73 lone 3 94 - 3 - 4.1/3270=1 HB3 ARG 46 - HG3 LYS 13 lone 3 77 - 4 - 4.7/6772=1 HB2 ARG 46 - HG3 LYS 13 lone 3 83 - 3 - 4.7/6772=1 QE MET 1 - HG3 LYS 13 lone 2 79 - 3 - HB2 GLU 37 - HG3 LYS 13 lone 1 77 - 2 - Peak 2160 from cnoeabs.peaks (1.92, 1.49, 25.00 ppm; 2.71 A): 3 out of 39 assignments used, quality = 0.99: * HB3 LYS 47 + HG2 LYS 47 OK 88 100 - 88 - 3.0=76, 3.0/2126=7...(22) HB2 LYS 13 + HG3 LYS 13 OK 67 79 - 85 - 3.0=76, 3.0/486=5...(14) HB3 LYS 13 + HG3 LYS 13 OK 64 75 - 85 - 3.0=76, 3.0/486=5...(14) HB2 LYS 94 - HG2 LYS 47 OK 40 100 - 40 - 2171/1.8=5, ~4203=4...(17) HB2 LYS 13 - HG2 LYS 47 OK 29 96 - 30 - 2171/1.8=3, 3.0/522=3...(12) HB3 LYS 13 - HG2 LYS 47 OK 28 92 - 30 - 2171/1.8=3, 3.0/522=3...(12) HB3 LYS 47 - HG2 LYS 73 OK 24 100 - 24 - 3.0/2162=3, 2150=2...(7) HB3 LYS 47 - HG3 LYS 13 OK 24 87 - 28 - 3.0/2172=3, 2150=3...(9) HB2 LYS 33 - HG3 LYS 13 OK 15 81 - 19 - 2.8/1451=2, 1429=2...(7) HB3 LYS 33 - HG3 LYS 13 OK 15 77 - 19 - 2.8/1451=2, 519/1.8=2...(7) HB3 LYS 20 - HG2 LYS 47 OK 12 92 - 13 - 2171/1.8=2 HB2 LYS 13 - HG2 LYS 73 OK 11 95 - 11 - 3.0/522=1 HB3 LYS 13 - HG2 LYS 73 OK 10 91 - 11 - 3.0/522=1 HB2 MET 1 - HG2 LYS 47 poor 9 70 - 13 - 14/3.0=2, ~21=1, 2171/1.8=1 HB2 LYS 33 - HG2 LYS 47 lone 9 97 - 9 - HB3 LYS 33 - HG2 LYS 47 lone 9 94 - 9 - HB2 LYS 94 - HG2 LYS 73 lone 5 100 - 5 - HB2 MET 1 - HG2 LYS 73 lone 5 69 - 7 - HB2 GLU 43 - HG2 LYS 47 lone 5 65 - 7 - 4.4/2167=1 HB2 LYS 94 - HG3 LYS 13 lone 4 86 - 5 - HB2 GLU 17 - HG2 LYS 73 lone 4 69 - 6 - 3.0/12182=1 HB3 LYS 20 - HG2 LYS 73 lone 3 91 - 3 - HB3 ARG 19 - HG2 LYS 47 lone 2 99 - 2 - HB2 GLU 17 - HG2 LYS 47 lone 2 70 - 3 - HB2 LYS 33 - HG2 LYS 73 lone 2 97 - 2 - HB3 LYS 33 - HG2 LYS 73 lone 2 94 - 2 - HB2 GLU 17 - HG3 LYS 13 lone 2 54 - 3 - HG3 GLU 88 - HG2 LYS 47 lone 2 61 - 3 - 4.2/3870=1 HB VAL 32 - HG2 LYS 73 lone 1 73 - 2 - HB3 ARG 19 - HG2 LYS 73 lone 1 99 - 1 - HB3 ARG 19 - HG3 LYS 13 lone 1 84 - 2 - HB VAL 32 - HG2 LYS 47 lone 1 73 - 2 - HB2 MET 1 - HG3 LYS 13 lone 1 54 - 2 - HG3 GLU 88 - HG2 LYS 73 lone 1 61 - 2 - HB2 GLU 43 - HG3 LYS 13 lone 1 50 - 2 - HG3 GLU 88 - HG3 LYS 13 lone 1 47 - 2 - 4.2/3870=1 HB3 LYS 20 - HG3 LYS 13 lone 1 75 - 1 - HB VAL 32 - HG3 LYS 13 lone 1 57 - 1 - HB2 GLU 43 - HG2 LYS 73 lone 1 65 - 1 - Peak 2161 from cnoeabs.peaks (1.49, 1.49, 25.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 LYS 47 + HG2 LYS 47 OK 100 100 - 100 HG2 LYS 73 + HG2 LYS 73 OK 100 100 - 100 HG3 LYS 13 + HG3 LYS 13 OK 83 83 - 100 Peak 2162 from cnoeabs.peaks (1.62, 1.49, 25.00 ppm; 2.40 A): 1 out of 15 assignments used, quality = 1.00: * HG3 LYS 47 + HG2 LYS 47 OK 100 100 - 100 - 1.8=100 HD2 LYS 94 - HG2 LYS 47 OK 32 100 - 32 - 2139/3.0=4, ~4247=3...(12) HG3 LYS 47 - HG3 LYS 13 OK 22 87 - 26 - 2172=6, 2171/3.0=2...(9) HG3 LYS 47 - HG2 LYS 73 OK 21 100 - 21 - 2172=6, 2170/2.9=1...(6) HD2 LYS 94 - HG2 LYS 73 lone 3 100 - 3 - HD2 LYS 94 - HG3 LYS 13 lone 3 86 - 4 - HD3 LYS 39 - HG3 LYS 13 lone 1 47 - 1 - HG2 LYS 68 - HG2 LYS 47 lone 1 57 - 1 - HD3 LYS 39 - HG2 LYS 47 lone 1 61 - 1 - HB2 ARG 30 - HG2 LYS 47 lone 0 61 - 1 - HG2 LYS 68 - HG2 LYS 73 lone 0 57 - 1 - HD3 LYS 39 - HG2 LYS 73 lone 0 61 - 1 - HB2 ARG 30 - HG2 LYS 73 lone 0 61 - 1 - HG2 LYS 68 - HG3 LYS 13 lone 0 44 - 0 - HB2 ARG 30 - HG3 LYS 13 lone 0 47 - 0 - Peak 2163 from cnoeabs.peaks (1.68, 1.49, 25.00 ppm; 2.40 A): 4 out of 51 assignments used, quality = 0.99: HD3 LYS 47 + HG2 LYS 47 OK 77 100 - 77 - 3.0=53, 2174/1.8=8...(17) * HD2 LYS 47 + HG2 LYS 47 OK 77 100 - 77 - 3.0=53, 2174/1.8=8...(17) HD2 LYS 73 + HG2 LYS 73 OK 65 83 - 77 - 3.0=54, 1.8/3297=7...(16) HD3 LYS 73 + HG2 LYS 73 OK 59 77 - 77 - 3.0=54, 1.8/3297=7...(16) HB3 ARG 91 - HG2 LYS 47 OK 26 100 - 26 - 2174/1.8=3, 2.8/4046=2...(9) HD2 LYS 47 - HG2 LYS 73 OK 16 100 - 16 - 3.0/2162=2, 2183=1 HD3 LYS 47 - HG2 LYS 73 OK 16 100 - 16 - 3.0/2162=2, 2183=1 HD2 LYS 73 - HG2 LYS 47 OK 15 84 - 18 - 3286=2, 1.8/3297=2...(4) HD2 LYS 47 - HG3 LYS 13 OK 14 87 - 17 - 3.0/2172=2, 2183=1 HD3 LYS 47 - HG3 LYS 13 OK 14 87 - 16 - 3.0/2172=2, 2194=1, 12025/1.8=1 HD3 LYS 73 - HG2 LYS 47 OK 13 77 - 18 - 3286=2, 1.8/3286=2...(4) HD2 LYS 24 - HG2 LYS 47 OK 12 77 - 16 - 2174/1.8=2 HD2 LYS 20 - HG2 LYS 47 OK 12 100 - 11 - 2174/1.8=1, 2183=1 HD3 LYS 20 - HG2 LYS 47 OK 11 98 - 11 - 2174/1.8=1 HD3 LYS 24 - HG2 LYS 47 OK 11 73 - 16 - 2174/1.8=1 HD2 LYS 24 - HG2 LYS 73 OK 10 77 - 13 - 3.0/3265=1 HG3 LYS 20 - HG2 LYS 47 lone 10 98 - 10 - 2174/1.8=1 HD3 LYS 24 - HG2 LYS 73 poor 9 73 - 13 - 3.0/3265=1 HD2 LYS 24 - HG3 LYS 13 poor 9 61 - 15 - HD3 LYS 24 - HG3 LYS 13 poor 9 57 - 15 - HG12 ILE 15 - HG3 LYS 13 poor 7 67 - 11 - 2.1/10852=2, 1.8/10852=2...(4) HD2 LYS 73 - HG3 LYS 13 lone 6 67 - 9 - HB3 ARG 91 - HG2 LYS 73 lone 5 100 - 5 - HD3 LYS 73 - HG3 LYS 13 lone 5 61 - 9 - HB3 ARG 91 - HG3 LYS 13 lone 3 86 - 4 - HD2 LYS 20 - HG2 LYS 73 lone 3 100 - 3 - HB ILE 52 - HG2 LYS 73 lone 3 91 - 3 - HB3 LYS 40 - HG2 LYS 47 lone 2 100 - 2 - HG3 LYS 20 - HG2 LYS 73 lone 2 98 - 2 - HG LEU 70 - HG2 LYS 73 lone 2 65 - 4 - 3.7/10813=2 HD3 LYS 20 - HG2 LYS 73 lone 2 98 - 2 - HG12 ILE 15 - HG2 LYS 47 lone 2 84 - 3 - HD3 LYS 90 - HG2 LYS 73 lone 2 73 - 3 - HG LEU 70 - HG3 LYS 13 lone 2 50 - 4 - HB ILE 52 - HG2 LYS 47 lone 2 92 - 2 - HB3 LYS 40 - HG2 LYS 73 lone 2 100 - 2 - HG2 PRO 86 - HG2 LYS 47 lone 2 87 - 2 - HG12 ILE 15 - HG2 LYS 73 lone 2 83 - 2 - HG2 PRO 86 - HG3 LYS 13 lone 1 70 - 2 - HD3 LYS 90 - HG2 LYS 47 lone 1 73 - 2 - HG LEU 70 - HG2 LYS 47 lone 1 65 - 2 - HB3 LYS 53 - HG2 LYS 47 lone 1 99 - 1 - HD3 LYS 90 - HG3 LYS 13 lone 1 57 - 2 - HB3 LYS 40 - HG3 LYS 13 lone 1 86 - 1 - HD2 LYS 20 - HG3 LYS 13 lone 1 86 - 1 - HG3 LYS 20 - HG3 LYS 13 lone 1 83 - 1 - HD3 LYS 20 - HG3 LYS 13 lone 1 83 - 1 - HG2 PRO 86 - HG2 LYS 73 lone 0 86 - 1 - HB3 LYS 53 - HG2 LYS 73 lone 0 99 - 0 - HB ILE 52 - HG3 LYS 13 lone 0 75 - 1 - HB3 LYS 53 - HG3 LYS 13 lone 0 84 - 0 - Peak 2164 from cnoeabs.peaks (1.68, 1.49, 25.00 ppm; 2.40 A): 4 out of 60 assignments used, quality = 0.99: * HD3 LYS 47 + HG2 LYS 47 OK 77 100 - 77 - 3.0=53, 2174/1.8=8...(17) HD2 LYS 47 + HG2 LYS 47 OK 77 100 - 77 - 3.0=53, 2174/1.8=8...(17) HD2 LYS 73 + HG2 LYS 73 OK 62 80 - 77 - 3.0=54, 1.8/3297=7...(16) HD3 LYS 73 + HG2 LYS 73 OK 56 73 - 77 - 3.0=54, 1.8/3297=7...(16) HD2 LYS 13 - HG3 LYS 13 OK 33 47 - 69 - 3.0=54, ~524=3, ~523=3...(11) HB3 ARG 91 - HG2 LYS 47 OK 26 100 - 26 - 2174/1.8=3, 2.8/4046=2...(9) HD2 LYS 47 - HG2 LYS 73 OK 16 100 - 16 - 3.0/2162=2, 2183=1 HD3 LYS 47 - HG2 LYS 73 OK 16 100 - 16 - 3.0/2162=2, 2183=1 HD2 LYS 47 - HG3 LYS 13 OK 14 87 - 17 - 3.0/2172=2, 2183=1 HD2 LYS 73 - HG2 LYS 47 OK 14 81 - 18 - 3286=2, 1.8/3297=2...(4) HD3 LYS 47 - HG3 LYS 13 OK 14 87 - 16 - 3.0/2172=2, 2194=1, 12025/1.8=1 HD3 LYS 73 - HG2 LYS 47 OK 13 73 - 17 - 3286=2, 1.8/3286=2...(4) HD2 LYS 24 - HG2 LYS 47 OK 13 81 - 16 - 2174/1.8=2 HD3 LYS 24 - HG2 LYS 47 OK 12 77 - 16 - 2174/1.8=1 HD2 LYS 20 - HG2 LYS 47 OK 12 99 - 11 - 2174/1.8=1, 2183=1 HD3 LYS 20 - HG2 LYS 47 OK 11 97 - 11 - 2174/1.8=1 HD2 LYS 24 - HG2 LYS 73 OK 11 80 - 13 - 3.0/3265=1 HD2 LYS 13 - HG2 LYS 47 OK 10 61 - 17 - 3.0/522=2, 2175/1.8=1 HD3 LYS 24 - HG2 LYS 73 OK 10 77 - 13 - 3.0/3265=1 HD2 LYS 24 - HG3 LYS 13 poor 10 64 - 16 - HG3 LYS 20 - HG2 LYS 47 lone 10 97 - 10 - 2174/1.8=1 HD2 LYS 12 - HG3 LYS 13 poor 10 47 - 21 - 10332/1.8=1, ~524=1...(4) HD3 LYS 12 - HG3 LYS 13 poor 10 47 - 21 - 10332/1.8=1, ~524=1...(4) HD3 LYS 24 - HG3 LYS 13 poor 9 61 - 15 - HG12 ILE 15 - HG3 LYS 13 poor 7 70 - 11 - 2.1/10852=2, 1.8/10852=2...(4) HD2 LYS 13 - HG2 LYS 73 poor 7 61 - 11 - 3.0/522=1 HD2 LYS 73 - HG3 LYS 13 lone 6 64 - 9 - HB3 ARG 91 - HG2 LYS 73 lone 5 100 - 5 - HD3 LYS 73 - HG3 LYS 13 lone 5 57 - 9 - HD3 LYS 12 - HG2 LYS 73 lone 5 61 - 8 - HD2 LYS 12 - HG2 LYS 73 lone 5 61 - 8 - HB3 ARG 91 - HG3 LYS 13 lone 3 87 - 4 - HD2 LYS 20 - HG2 LYS 73 lone 3 99 - 3 - HG LEU 70 - HG2 LYS 73 lone 3 69 - 4 - 3.7/10813=2 HB3 LYS 40 - HG2 LYS 47 lone 2 100 - 2 - HB ILE 52 - HG2 LYS 73 lone 2 89 - 3 - HG3 LYS 20 - HG2 LYS 73 lone 2 97 - 2 - HD3 LYS 20 - HG2 LYS 73 lone 2 97 - 2 - HG12 ILE 15 - HG2 LYS 47 lone 2 87 - 3 - HD3 LYS 90 - HG2 LYS 73 lone 2 77 - 3 - HD3 LYS 12 - HG2 LYS 47 lone 2 61 - 3 - HD2 LYS 12 - HG2 LYS 47 lone 2 61 - 3 - HG LEU 70 - HG3 LYS 13 lone 2 54 - 4 - HG2 PRO 86 - HG2 LYS 47 lone 2 90 - 2 - HG12 ILE 15 - HG2 LYS 73 lone 2 86 - 2 - HB3 LYS 40 - HG2 LYS 73 lone 2 100 - 2 - HB ILE 52 - HG2 LYS 47 lone 2 90 - 2 - HD3 LYS 90 - HG2 LYS 47 lone 1 77 - 2 - HG2 PRO 86 - HG3 LYS 13 lone 1 72 - 2 - HG LEU 70 - HG2 LYS 47 lone 1 70 - 2 - HB3 LYS 53 - HG2 LYS 47 lone 1 99 - 1 - HD3 LYS 90 - HG3 LYS 13 lone 1 61 - 2 - HB3 LYS 40 - HG3 LYS 13 lone 1 86 - 1 - HD2 LYS 20 - HG3 LYS 13 lone 1 85 - 1 - HD3 LYS 20 - HG3 LYS 13 lone 1 81 - 1 - HG3 LYS 20 - HG3 LYS 13 lone 1 81 - 1 - HG2 PRO 86 - HG2 LYS 73 lone 0 89 - 1 - HB3 LYS 53 - HG2 LYS 73 lone 0 99 - 0 - HB ILE 52 - HG3 LYS 13 lone 0 72 - 1 - HB3 LYS 53 - HG3 LYS 13 lone 0 85 - 0 - Peak 2165 from cnoeabs.peaks (2.97, 1.49, 25.00 ppm; 3.31 A): 4 out of 30 assignments used, quality = 1.00: HE3 LYS 47 + HG2 LYS 47 OK 93 100 - 93 - 3.8=68, 2206/1.8=16...(35) * HE2 LYS 47 + HG2 LYS 47 OK 93 100 - 93 - 3.8=68, 2206/1.8=16...(35) HE2 LYS 13 + HG3 LYS 13 OK 54 64 - 84 - 3.8=65, 1.8/3308=4...(30) HE3 LYS 13 + HG3 LYS 13 OK 48 57 - 84 - 3.8=65, ~524=4, ~523=4...(30) HE2 LYS 24 - HG2 LYS 47 OK 26 87 - 30 - 2176/1.8=3, ~2177=2...(10) HE3 LYS 24 - HG2 LYS 47 OK 26 87 - 30 - 2176/1.8=3, ~2177=2...(10) HE3 LYS 47 - HG3 LYS 13 OK 24 87 - 28 - 3.8/2172=3, 2216=3...(13) HE2 LYS 47 - HG3 LYS 13 OK 24 87 - 28 - 3.8/2172=3, 2216=3...(13) HE2 LYS 13 - HG2 LYS 47 OK 24 81 - 30 - 3.8/522=3, 2177/1.8=3...(7) HE3 LYS 13 - HG2 LYS 47 OK 22 73 - 30 - 3.8/522=3, 2177/1.8=2...(7) HE3 LYS 12 - HG3 LYS 13 OK 21 77 - 28 - ~463=3, 2216=2...(16) HE3 LYS 47 - HG2 LYS 73 OK 21 100 - 21 - 3.8/2162=3, 2216=2...(4) HE2 LYS 47 - HG2 LYS 73 OK 21 100 - 21 - 3.8/2162=3, 2216=2...(4) HE3 LYS 24 - HG3 LYS 13 OK 20 70 - 29 - ~526=2, ~525=2...(8) HE2 LYS 24 - HG3 LYS 13 OK 20 70 - 29 - ~526=2, ~525=2...(8) HE2 LYS 13 - HG2 LYS 73 OK 19 80 - 24 - 3.8/522=2, 1.8/3308=1...(6) HE3 LYS 24 - HG2 LYS 73 OK 18 86 - 21 - 3.7/3265=1, 475/1.8=1 HE2 LYS 24 - HG2 LYS 73 OK 18 86 - 21 - 3.7/3265=1, 475/1.8=1 HE3 LYS 13 - HG2 LYS 73 OK 17 73 - 23 - 3.8/522=2, 1.8/3308=1, ~3279=1 HE3 LYS 12 - HG2 LYS 73 poor 10 94 - 10 - ~434=2, ~464=2 HB3 PHE 45 - HG2 LYS 47 lone 8 97 - 8 - 6776/4.9=1 HB2 PHE 45 - HG2 LYS 47 lone 8 94 - 8 - 6776/4.9=1 HB2 SER 9 - HG2 LYS 47 poor 7 70 - 10 - ~10615=2, 1.8/10616=2...(4) HE3 LYS 12 - HG2 LYS 47 lone 5 94 - 5 - HB2 SER 9 - HG3 LYS 13 lone 3 54 - 5 - HB2 PHE 45 - HG3 LYS 13 lone 2 77 - 2 - HB3 PHE 45 - HG3 LYS 13 lone 2 81 - 2 - HB2 PHE 45 - HG2 LYS 73 lone 1 94 - 1 - HB3 PHE 45 - HG2 LYS 73 lone 1 97 - 1 - HB2 SER 9 - HG2 LYS 73 lone 1 69 - 1 - Peak 2166 from cnoeabs.peaks (2.97, 1.49, 25.00 ppm; 3.31 A): 4 out of 30 assignments used, quality = 1.00: * HE3 LYS 47 + HG2 LYS 47 OK 93 100 - 93 - 3.8=68, 2206/1.8=16...(35) HE2 LYS 47 + HG2 LYS 47 OK 93 100 - 93 - 3.8=68, 2206/1.8=16...(35) HE2 LYS 13 + HG3 LYS 13 OK 54 64 - 84 - 3.8=65, 1.8/3308=4...(30) HE3 LYS 13 + HG3 LYS 13 OK 48 57 - 84 - 3.8=65, ~524=4, ~523=4...(30) HE2 LYS 24 - HG2 LYS 47 OK 26 87 - 30 - 2176/1.8=3, ~2177=2...(10) HE3 LYS 24 - HG2 LYS 47 OK 26 87 - 30 - 2176/1.8=3, ~2177=2...(10) HE3 LYS 47 - HG3 LYS 13 OK 24 87 - 28 - 3.8/2172=3, 2216=3...(13) HE2 LYS 47 - HG3 LYS 13 OK 24 87 - 28 - 3.8/2172=3, 2216=3...(13) HE2 LYS 13 - HG2 LYS 47 OK 24 81 - 30 - 3.8/522=3, 2177/1.8=3...(7) HE3 LYS 13 - HG2 LYS 47 OK 22 73 - 30 - 3.8/522=3, 2177/1.8=2...(7) HE3 LYS 12 - HG3 LYS 13 OK 21 77 - 28 - ~463=3, 2216=2...(16) HE3 LYS 47 - HG2 LYS 73 OK 21 100 - 21 - 3.8/2162=3, 2216=2...(4) HE2 LYS 47 - HG2 LYS 73 OK 21 100 - 21 - 3.8/2162=3, 2216=2...(4) HE3 LYS 24 - HG3 LYS 13 OK 20 70 - 29 - ~526=2, ~525=2...(8) HE2 LYS 24 - HG3 LYS 13 OK 20 70 - 29 - ~526=2, ~525=2...(8) HE2 LYS 13 - HG2 LYS 73 OK 19 80 - 24 - 3.8/522=2, 1.8/3308=1...(6) HE3 LYS 24 - HG2 LYS 73 OK 18 86 - 21 - 3.7/3265=1, 475/1.8=1 HE2 LYS 24 - HG2 LYS 73 OK 18 86 - 21 - 3.7/3265=1, 475/1.8=1 HE3 LYS 13 - HG2 LYS 73 OK 17 73 - 23 - 3.8/522=2, 1.8/3308=1, ~3279=1 HE3 LYS 12 - HG2 LYS 73 poor 10 94 - 10 - ~434=2, ~464=2 HB3 PHE 45 - HG2 LYS 47 lone 8 97 - 8 - 6776/4.9=1 HB2 PHE 45 - HG2 LYS 47 lone 8 94 - 8 - 6776/4.9=1 HB2 SER 9 - HG2 LYS 47 poor 7 70 - 10 - ~10615=2, 1.8/10616=2...(4) HE3 LYS 12 - HG2 LYS 47 lone 5 94 - 5 - HB2 SER 9 - HG3 LYS 13 lone 3 54 - 5 - HB2 PHE 45 - HG3 LYS 13 lone 2 77 - 2 - HB3 PHE 45 - HG3 LYS 13 lone 2 81 - 2 - HB2 PHE 45 - HG2 LYS 73 lone 1 94 - 1 - HB3 PHE 45 - HG2 LYS 73 lone 1 97 - 1 - HB2 SER 9 - HG2 LYS 73 lone 1 69 - 1 - Peak 2167 from cnoeabs.peaks (7.62, 1.49, 25.00 ppm; 5.52 A): 2 out of 15 assignments used, quality = 0.95: * H GLU 48 + HG2 LYS 47 OK 84 100 - 84 - 6785/1.8=29, 6780/4.9=24...(12) H GLU 44 + HG2 LYS 47 OK 66 81 - 82 - ~10615=15, 2178/1.8=15...(20) H GLU 48 - HG3 LYS 13 OK 33 87 - 39 - 3.6/2126=7, 6784=6...(12) H GLU 48 - HG2 LYS 73 OK 28 100 - 28 - 3.6/2126=5, 6784=4...(11) HE22 GLN 50 - HG2 LYS 47 OK 19 96 - 20 - 2178/1.8=4, 2144/3.0=3...(9) HD22 ASN 10 - HG2 LYS 47 OK 18 92 - 19 - 2178/1.8=4, 2144/3.0=2...(9) H LYS 40 - HG2 LYS 47 OK 13 70 - 19 - 2178/1.8=3, 4.6/3260=2...(8) H GLU 44 - HG2 LYS 73 poor 9 80 - 11 - 4.8/10798=1, 3.0/10616=1 H GLU 44 - HG3 LYS 13 poor 8 64 - 12 - 4.8/10798=2, ~2000=1 H LYS 40 - HG3 LYS 13 poor 6 54 - 12 - 6618/4.8=4, ~1780=2 H LYS 40 - HG2 LYS 73 lone 5 69 - 7 - 6637/4.9=1 HE22 GLN 50 - HG2 LYS 73 lone 4 95 - 4 - HE22 GLN 50 - HG3 LYS 13 lone 3 79 - 4 - HD22 ASN 10 - HG2 LYS 73 lone 3 91 - 3 - HD22 ASN 10 - HG3 LYS 13 lone 2 75 - 3 - Peak 2168 from cnoeabs.peaks (7.47, 1.62, 25.00 ppm; 3.70 A): 3 out of 6 assignments used, quality = 0.94: * H LYS 47 + HG3 LYS 47 OK 85 100 - 85 - 4.9=42, 2.9/2127=19...(21) H ARG 91 + HG3 LYS 47 OK 44 100 - 45 - 7442/1.8=9, 2134/3.0=5...(16) HE ARG 46 + HG3 LYS 47 OK 25 100 - 26 - 2134/3.0=4, 2122/3.9=3...(11) HD22 ASN 26 - HG3 LYS 47 lone 8 99 - 8 - 2122/3.9=2, 2157/1.8=1...(4) HE ARG 19 - HG3 LYS 47 lone 2 57 - 3 - HZ2 TRP 92 - HG3 LYS 47 lone 1 61 - 2 - Peak 2169 from cnoeabs.peaks (4.14, 1.62, 25.00 ppm; 3.72 A): 1 out of 8 assignments used, quality = 0.98: * HA LYS 47 + HG3 LYS 47 OK 98 100 - 98 - 3.9=87, 2.9/6773=22...(37) HA LYS 13 - HG3 LYS 47 OK 35 90 - 39 - 3.0/2171=4, 3.0/2171=4...(15) HA GLN 72 - HG3 LYS 47 OK 32 90 - 35 - 3.0/10841=8, ~12182=4...(11) HA MET 1 - HG3 LYS 47 OK 17 81 - 22 - 7/3.0=3, 2147/3.0=2...(7) HA GLU 23 - HG3 LYS 47 OK 12 100 - 12 - 2147/3.0=1, 2135/3.0=1 HB2 SER 59 - HG3 LYS 47 lone 2 77 - 3 - HA GLU 104 - HG3 LYS 47 lone 1 70 - 1 - HA GLU 99 - HG3 LYS 47 lone 1 57 - 2 - Peak 2170 from cnoeabs.peaks (1.97, 1.62, 25.00 ppm; 3.31 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LYS 47 + HG3 LYS 47 OK 100 100 - 100 - 3.0=100 HB3 LYS 24 - HG3 LYS 47 OK 41 98 - 42 - 2139=5, 1.8/2139=4...(20) HB2 LYS 24 - HG3 LYS 47 OK 41 98 - 42 - 2139=5, 1.8/2139=4...(20) HB2 LYS 73 - HG3 LYS 47 OK 30 90 - 33 - 2.9/2162=4, ~3231=2...(15) HB3 LYS 73 - HG3 LYS 47 OK 29 87 - 33 - 2.9/2162=4, ~3231=2...(13) HB3 ARG 46 - HG3 LYS 47 OK 27 94 - 29 - 4.7/6773=10, 2124/3.9=2...(7) HB2 ARG 46 - HG3 LYS 47 OK 26 98 - 27 - 4.7/6773=10, 2124/3.9=2...(5) QE MET 1 - HG3 LYS 47 OK 15 96 - 16 - 38/3.0=2, 37/3.9=2...(5) HB3 MET 74 - HG3 LYS 47 lone 6 98 - 6 - HB2 GLU 37 - HG3 LYS 47 lone 5 94 - 5 - Peak 2171 from cnoeabs.peaks (1.92, 1.62, 25.00 ppm; 3.16 A): 2 out of 13 assignments used, quality = 1.00: * HB3 LYS 47 + HG3 LYS 47 OK 100 100 - 100 - 3.0=100 HB2 LYS 94 + HG3 LYS 47 OK 63 100 - 63 - 1.8/4203=9, 4191=9...(31) HB2 LYS 13 - HG3 LYS 47 OK 38 96 - 40 - 3.0/2172=4, 3.0/2169=4...(16) HB3 LYS 13 - HG3 LYS 47 OK 36 92 - 40 - 3.0/2172=4, 3.0/2169=4...(17) HB3 LYS 20 - HG3 LYS 47 OK 18 92 - 20 - 3.0/2174=1, 3.5/2174=1...(5) HB2 MET 1 - HG3 LYS 47 OK 16 70 - 24 - 14/3.0=2, ~21=2...(8) HB2 LYS 33 - HG3 LYS 47 OK 11 97 - 11 - 1429/1.8=1 HB3 LYS 33 - HG3 LYS 47 OK 11 94 - 11 - HB2 GLU 43 - HG3 LYS 47 poor 9 65 - 13 - 4.4/2178=3 HB3 ARG 19 - HG3 LYS 47 lone 4 99 - 4 - HB2 GLU 17 - HG3 LYS 47 lone 4 70 - 5 - HB VAL 32 - HG3 LYS 47 lone 2 73 - 2 - HG3 GLU 88 - HG3 LYS 47 lone 2 61 - 3 - Peak 2172 from cnoeabs.peaks (1.49, 1.62, 25.00 ppm; 2.40 A): 1 out of 11 assignments used, quality = 1.00: * HG2 LYS 47 + HG3 LYS 47 OK 100 100 - 100 - 1.8=100 HB2 ARG 91 - HG3 LYS 47 OK 27 99 - 27 - 1.8/2174=3, 3.9/2168=2...(8) HG3 LYS 13 - HG3 LYS 47 OK 25 98 - 25 - 2162=6, 3.0/2171=2...(9) HG2 LYS 73 - HG3 LYS 47 OK 22 100 - 22 - 2162=6, 2.9/2170=1...(6) HG3 LYS 24 - HG3 LYS 47 OK 12 70 - 17 - 2.9/2170=2, 2.9/2170=2 HG3 LYS 33 - HG3 LYS 47 lone 4 84 - 5 - HG2 LYS 66 - HG3 LYS 47 lone 3 100 - 3 - HG3 LYS 66 - HG3 LYS 47 lone 3 100 - 3 - HB3 LEU 64 - HG3 LYS 47 lone 2 100 - 2 - HG LEU 57 - HG3 LYS 47 lone 2 92 - 2 - HG LEU 64 - HG3 LYS 47 lone 2 90 - 2 - Peak 2173 from cnoeabs.peaks (1.62, 1.62, 25.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 47 + HG3 LYS 47 OK 100 100 - 100 Peak 2174 from cnoeabs.peaks (1.68, 1.62, 25.00 ppm; 2.40 A): 2 out of 17 assignments used, quality = 0.95: * HD2 LYS 47 + HG3 LYS 47 OK 77 100 - 77 - 3.0=53, 1.8/2195=8...(20) HD3 LYS 47 + HG3 LYS 47 OK 77 100 - 77 - 3.0=53, 1.8/2195=8...(20) HB3 ARG 91 - HG3 LYS 47 OK 24 100 - 24 - 2195=4, 1.8/2172=4...(4) HD2 LYS 24 - HG3 LYS 47 OK 14 77 - 18 - 3.6/2170=1, 3.6/2170=1...(5) HD2 LYS 73 - HG3 LYS 47 OK 13 84 - 16 - 3.0/2162=2, 3286/1.8=1 HD3 LYS 24 - HG3 LYS 47 OK 13 73 - 18 - 3.6/2170=1, 3.6/2170=1...(5) HD2 LYS 20 - HG3 LYS 47 OK 13 100 - 13 - 2184=2, 1.8/2184=1 HD3 LYS 20 - HG3 LYS 47 OK 12 98 - 12 - 2184=2, 1.8/2184=1 HD3 LYS 73 - HG3 LYS 47 OK 12 77 - 16 - 3.0/2162=2, 3286/1.8=1 HG3 LYS 20 - HG3 LYS 47 OK 11 98 - 11 - HB3 LYS 40 - HG3 LYS 47 lone 2 100 - 2 - HB ILE 52 - HG3 LYS 47 lone 2 92 - 2 - HG2 PRO 86 - HG3 LYS 47 lone 1 87 - 2 - HG12 ILE 15 - HG3 LYS 47 lone 1 84 - 2 - HD3 LYS 90 - HG3 LYS 47 lone 1 73 - 1 - HB3 LYS 53 - HG3 LYS 47 lone 1 99 - 1 - HG LEU 70 - HG3 LYS 47 lone 1 65 - 1 - Peak 2175 from cnoeabs.peaks (1.68, 1.62, 25.00 ppm; 2.40 A): 2 out of 20 assignments used, quality = 0.95: HD2 LYS 47 + HG3 LYS 47 OK 77 100 - 77 - 3.0=53, 1.8/2195=8...(20) * HD3 LYS 47 + HG3 LYS 47 OK 77 100 - 77 - 3.0=53, 1.8/2195=8...(20) HB3 ARG 91 - HG3 LYS 47 OK 24 100 - 24 - 2195=4, 1.8/2172=4...(4) HD2 LYS 24 - HG3 LYS 47 OK 15 81 - 18 - 3.6/2170=1, 3.6/2170=1...(5) HD3 LYS 24 - HG3 LYS 47 OK 14 77 - 18 - 3.6/2170=1, 3.6/2170=1...(5) HD2 LYS 20 - HG3 LYS 47 OK 13 99 - 13 - 2184=2, 1.8/2184=1 HD2 LYS 73 - HG3 LYS 47 OK 13 81 - 16 - 3.0/2162=2, 3286/1.8=1 HD3 LYS 20 - HG3 LYS 47 OK 12 97 - 12 - 2184=2, 1.8/2184=1 HD2 LYS 13 - HG3 LYS 47 OK 12 61 - 20 - 3.0/2172=2, 3.6/2171=1 HD3 LYS 73 - HG3 LYS 47 OK 12 73 - 16 - 3.0/2162=2, 3286/1.8=1 HG3 LYS 20 - HG3 LYS 47 OK 11 97 - 11 - HB3 LYS 40 - HG3 LYS 47 lone 2 100 - 2 - HD3 LYS 12 - HG3 LYS 47 lone 2 61 - 3 - HD2 LYS 12 - HG3 LYS 47 lone 2 61 - 3 - HB ILE 52 - HG3 LYS 47 lone 2 90 - 2 - HG2 PRO 86 - HG3 LYS 47 lone 2 90 - 2 - HG12 ILE 15 - HG3 LYS 47 lone 1 87 - 2 - HD3 LYS 90 - HG3 LYS 47 lone 1 77 - 2 - HB3 LYS 53 - HG3 LYS 47 lone 1 99 - 1 - HG LEU 70 - HG3 LYS 47 lone 1 70 - 1 - Peak 2176 from cnoeabs.peaks (2.97, 1.62, 25.00 ppm; 3.57 A): 2 out of 10 assignments used, quality = 1.00: * HE2 LYS 47 + HG3 LYS 47 OK 97 100 - 97 - 3.8=85, 1.8/2217=18...(43) HE3 LYS 47 + HG3 LYS 47 OK 97 100 - 97 - 3.8=85, 1.8/2217=18...(43) HE2 LYS 24 - HG3 LYS 47 OK 33 87 - 38 - 4.9/2170=2, 4.9/2170=2...(13) HE3 LYS 24 - HG3 LYS 47 OK 33 87 - 38 - 4.9/2170=2, 4.9/2170=2...(13) HE2 LYS 13 - HG3 LYS 47 OK 30 81 - 37 - 3.8/2172=3, 5.0/2171=2...(9) HE3 LYS 13 - HG3 LYS 47 OK 27 73 - 37 - 3.8/2172=3, 5.0/2171=2...(11) HB3 PHE 45 - HG3 LYS 47 lone 9 97 - 9 - 6776/4.9=2, 2131/3.9=1 HB2 PHE 45 - HG3 LYS 47 lone 9 94 - 9 - 6777/4.9=1 HB2 SER 9 - HG3 LYS 47 poor 9 70 - 12 - 1.8/10615=4, ~10616=2...(4) HE3 LYS 12 - HG3 LYS 47 lone 6 94 - 6 - Peak 2177 from cnoeabs.peaks (2.97, 1.62, 25.00 ppm; 3.57 A): 2 out of 10 assignments used, quality = 1.00: HE2 LYS 47 + HG3 LYS 47 OK 97 100 - 97 - 3.8=85, 1.8/2217=18...(43) * HE3 LYS 47 + HG3 LYS 47 OK 97 100 - 97 - 3.8=85, 1.8/2217=18...(43) HE2 LYS 24 - HG3 LYS 47 OK 33 87 - 38 - 4.9/2170=2, 4.9/2170=2...(13) HE3 LYS 24 - HG3 LYS 47 OK 33 87 - 38 - 4.9/2170=2, 4.9/2170=2...(13) HE2 LYS 13 - HG3 LYS 47 OK 30 81 - 37 - 3.8/2172=3, 5.0/2171=2...(9) HE3 LYS 13 - HG3 LYS 47 OK 27 73 - 37 - 3.8/2172=3, 5.0/2171=2...(11) HB3 PHE 45 - HG3 LYS 47 lone 9 97 - 9 - 6776/4.9=2, 2131/3.9=1 HB2 PHE 45 - HG3 LYS 47 lone 9 94 - 9 - 6777/4.9=1 HB2 SER 9 - HG3 LYS 47 poor 9 70 - 12 - 1.8/10615=4, ~10616=2...(4) HE3 LYS 12 - HG3 LYS 47 lone 6 94 - 6 - Peak 2178 from cnoeabs.peaks (7.62, 1.62, 25.00 ppm; 5.02 A): 2 out of 5 assignments used, quality = 0.94: * H GLU 48 + HG3 LYS 47 OK 85 100 - 85 - 6785=31, 3.6/2127=27...(11) H GLU 44 + HG3 LYS 47 OK 60 81 - 75 - 3.0/10615=17...(17) HE22 GLN 50 - HG3 LYS 47 OK 16 96 - 17 - 2144/3.0=2, 2167/1.8=2...(7) HD22 ASN 10 - HG3 LYS 47 OK 15 92 - 16 - 2144/3.0=2, 2167/1.8=2...(7) H LYS 40 - HG3 LYS 47 OK 10 70 - 14 - 2144/3.0=2, 2167/1.8=2...(6) Peak 2179 from cnoeabs.peaks (7.47, 1.68, 29.28 ppm; 3.37 A): 3 out of 30 assignments used, quality = 0.99: H ARG 91 + HB3 ARG 91 OK 86 99 - 87 - 3.9=64, 7442/1.8=18...(15) * H LYS 47 + HD2 LYS 47 OK 70 100 - 70 - 6773/3.0=19, 6.3=15...(21) H LYS 47 + HD3 LYS 47 OK 70 100 - 70 - 6773/3.0=19, 6.3=15...(21) H ARG 91 - HD3 LYS 47 OK 40 100 - 41 - 2168/3.0=6, 7442/3.0=6...(16) H ARG 91 - HD2 LYS 47 OK 40 100 - 41 - 2168/3.0=6, 7442/3.0=6...(16) H LYS 47 - HB3 ARG 91 OK 40 99 - 41 - 4025/1.8=9, 4044/2.8=5...(12) HE ARG 46 - HB3 ARG 91 OK 23 99 - 23 - 4025/1.8=4, 7455/4.3=3...(10) HE ARG 46 - HD2 LYS 47 OK 16 100 - 16 - 2168/3.0=4, 2134/3.9=2...(8) HE ARG 46 - HD3 LYS 47 OK 16 100 - 16 - 2168/3.0=4, 2134/3.9=2...(8) H ARG 91 - HD2 LYS 20 OK 15 96 - 15 - 7443=2, 7445/2.8=2...(6) H ARG 91 - HD3 LYS 20 OK 12 84 - 14 - 7443=2, 7445/2.8=2...(5) H LYS 47 - HD2 LYS 20 OK 11 97 - 12 - 6774=1, 2.9/2128=1, 6774/1.8=1 H LYS 47 - HD3 LYS 20 poor 10 85 - 12 - 6774=1, 2.9/2128=1, 6774/1.8=1 HD22 ASN 26 - HB3 ARG 91 lone 9 98 - 8 - 4025/1.8=2, 4044/2.8=1 HD22 ASN 26 - HD2 LYS 47 lone 6 99 - 6 - 2168/3.0=1 HD22 ASN 26 - HD3 LYS 47 lone 6 99 - 6 - 2168/3.0=1 HE ARG 19 - HD2 LYS 20 lone 3 52 - 6 - 11044/3.5=1, 11047/3.5=1...(4) HE ARG 19 - HD3 LYS 20 lone 3 42 - 6 - 11044/3.5=1, 11047/3.5=1 HE ARG 19 - HB3 ARG 91 lone 2 56 - 4 - HE ARG 46 - HD2 LYS 20 lone 2 96 - 2 - HE ARG 46 - HD3 LYS 20 lone 1 84 - 2 - HZ2 TRP 92 - HB3 ARG 91 lone 1 60 - 2 - 8.7/7458=1 HE ARG 19 - HD2 LYS 47 lone 1 57 - 2 - HE ARG 19 - HD3 LYS 47 lone 1 57 - 2 - HZ2 TRP 92 - HD2 LYS 47 lone 1 61 - 2 - HZ2 TRP 92 - HD3 LYS 47 lone 1 61 - 2 - HD22 ASN 26 - HD2 LYS 20 lone 1 95 - 1 - HD22 ASN 26 - HD3 LYS 20 lone 1 83 - 1 - HZ2 TRP 92 - HD2 LYS 20 lone 0 56 - 1 - HZ2 TRP 92 - HD3 LYS 20 lone 0 46 - 1 - Peak 2180 from cnoeabs.peaks (4.14, 1.68, 29.28 ppm; 5.28 A): 5 out of 40 assignments used, quality = 1.00: * HA LYS 47 + HD2 LYS 47 OK 100 100 - 100 - 5.1=100 HA LYS 47 + HD3 LYS 47 OK 100 100 - 100 - 5.1=100 HA LYS 47 + HB3 ARG 91 OK 70 99 - 71 - ~4025=10, 2126/1.8=9...(24) HA LYS 13 + HD2 LYS 47 OK 49 90 - 55 - 2169/3.0=8, 2147/3.9=5...(29) HA LYS 13 + HD3 LYS 47 OK 47 89 - 54 - 2169/3.0=8, 2147/3.9=5...(26) HA GLU 23 - HB3 ARG 91 OK 42 99 - 43 - 10463/2.8=11, ~10461=8...(12) HA GLN 72 - HD2 LYS 47 OK 40 90 - 45 - ~10841=9, 2169/3.0=7...(13) HA GLN 72 - HD3 LYS 47 OK 39 89 - 44 - ~10841=9, 2169/3.0=7...(13) HA LYS 47 - HD2 LYS 20 OK 36 97 - 37 - 2128=2, 2128/1.8=2...(18) HA LYS 47 - HD3 LYS 20 OK 31 85 - 37 - 2128/1.8=2, 2128=2...(20) HA MET 1 - HD2 LYS 47 OK 24 81 - 30 - 7/3.9=5, 2169/3.0=4...(12) HA MET 1 - HD3 LYS 47 OK 24 80 - 30 - 7/3.9=5, 2169/3.0=4...(12) HA GLU 23 - HD3 LYS 47 OK 20 100 - 20 - 2169/3.0=3, 2147/3.9=2...(9) HA GLU 23 - HD2 LYS 47 OK 20 100 - 20 - 2169/3.0=3, 2147/3.9=2...(9) HA GLU 23 - HD2 LYS 20 OK 14 96 - 15 - 10463/2.8=4, ~10461=2...(4) HA GLU 23 - HD3 LYS 20 OK 12 84 - 14 - 10463/2.8=4, ~10461=2...(4) HA MET 1 - HD2 LYS 20 OK 11 74 - 14 - 3/3.5=2, 8005/3.0=1...(5) HA LYS 13 - HB3 ARG 91 poor 9 88 - 10 - HA MET 1 - HD3 LYS 20 poor 9 62 - 14 - 3/3.5=2, 8005/3.0=1...(6) HA MET 1 - HB3 ARG 91 lone 7 79 - 9 - 8006/3.5=2 HA GLU 99 - HD2 LYS 20 poor 6 52 - 12 - ~893=3, ~882=2...(5) HA GLU 99 - HB3 ARG 91 lone 5 56 - 9 - 3.6/4043=4, ~7607=2, 4404/4.3=1 HA GLU 99 - HD3 LYS 20 poor 5 42 - 12 - ~893=3, ~882=2...(5) HB2 SER 59 - HD2 LYS 20 lone 5 71 - 6 - HA GLU 104 - HB3 ARG 91 lone 4 68 - 6 - 11073/4.6=3 HA LYS 13 - HD2 LYS 20 lone 4 83 - 4 - HA GLN 72 - HB3 ARG 91 lone 4 88 - 4 - HB2 SER 59 - HD3 LYS 20 lone 4 59 - 6 - HB2 SER 59 - HD2 LYS 47 lone 4 77 - 5 - HB2 SER 59 - HD3 LYS 47 lone 4 77 - 5 - HB2 SER 59 - HB3 ARG 91 lone 4 75 - 5 - ~10992=2 HA GLN 72 - HD2 LYS 20 lone 3 83 - 4 - HA LYS 13 - HD3 LYS 20 lone 3 70 - 4 - HA GLN 72 - HD3 LYS 20 lone 3 70 - 4 - HA GLU 99 - HD2 LYS 47 lone 2 57 - 4 - HA GLU 99 - HD3 LYS 47 lone 2 57 - 4 - HA GLU 104 - HD2 LYS 47 lone 2 70 - 3 - HA GLU 104 - HD3 LYS 47 lone 2 69 - 3 - HA GLU 104 - HD2 LYS 20 lone 2 63 - 3 - HA GLU 104 - HD3 LYS 20 lone 1 52 - 2 - Peak 2181 from cnoeabs.peaks (1.97, 1.68, 29.28 ppm; 3.14 A): 2 out of 50 assignments used, quality = 0.98: * HB2 LYS 47 + HD2 LYS 47 OK 87 100 - 87 - 3.9=50, 3.0/2174=9...(49) HB2 LYS 47 + HD3 LYS 47 OK 87 100 - 87 - 3.9=50, 3.0/2174=9...(49) HB3 LYS 24 - HD2 LYS 47 OK 33 98 - 34 - 2170/3.0=3, 2148/3.9=2...(11) HB2 LYS 24 - HD2 LYS 47 OK 33 98 - 34 - 2170/3.0=3, 2148/3.9=2...(11) HB2 LYS 24 - HD3 LYS 47 OK 33 98 - 34 - 2170/3.0=3, 2148/3.9=2...(12) HB3 LYS 24 - HD3 LYS 47 OK 33 98 - 34 - 2170/3.0=3, 2148/3.9=2...(12) HB2 LYS 47 - HB3 ARG 91 OK 32 99 - 33 - 2138/1.8=3, 2134/3.9=3...(15) HB2 LYS 73 - HD2 LYS 47 OK 27 90 - 30 - 2170/3.0=2, ~2170=1...(6) HB2 LYS 73 - HD3 LYS 47 OK 26 89 - 30 - 2170/3.0=2, ~2170=1...(6) HB3 LYS 73 - HD2 LYS 47 OK 26 87 - 30 - 2170/3.0=2, ~2170=1...(5) HB3 LYS 73 - HD3 LYS 47 OK 25 86 - 30 - 2170/3.0=2, ~2170=1...(5) HB2 ARG 46 - HB3 ARG 91 OK 22 97 - 23 - 2066/3.0=4, 2075/3.9=3...(10) HB3 ARG 46 - HB3 ARG 91 OK 21 92 - 23 - 2076/3.0=3, 2085/3.9=3...(9) HB2 LYS 47 - HD2 LYS 20 OK 20 97 - 20 - 2140=2, 3.0/2174=1...(5) HB2 LYS 47 - HD3 LYS 20 OK 17 85 - 20 - 2140=1, 3.0/2174=1...(5) HB2 ARG 46 - HD2 LYS 47 OK 16 98 - 16 - 4.7/6774=3, 2170/3.0=2...(7) HB2 ARG 46 - HD3 LYS 47 OK 16 98 - 16 - 4.7/6774=3, 2170/3.0=2...(7) HB3 ARG 46 - HD2 LYS 47 OK 15 94 - 16 - 4.7/6774=3, 10613/3.0=2...(8) HB3 ARG 46 - HD3 LYS 47 OK 15 94 - 16 - 4.7/6774=3, 10613/3.0=2...(8) QE MET 1 - HD2 LYS 47 lone 8 96 - 9 - 38/3.9=1, 37/5.1=1, 2170/3.0=1 QE MET 1 - HD3 LYS 47 lone 8 95 - 9 - 38/3.9=1, 37/5.1=1, 2170/3.0=1 HB2 GLU 37 - HB3 ARG 91 lone 7 92 - 8 - 3.0/1586=1, 4.6/8852=1 HB2 GLU 37 - HD2 LYS 20 lone 6 88 - 7 - 3.0/1586=1 HB2 GLU 37 - HD2 LYS 47 lone 6 94 - 6 - HB2 GLU 37 - HD3 LYS 47 lone 6 94 - 6 - QE MET 1 - HD2 LYS 20 lone 5 90 - 6 - 38/3.5=1, 8023/2.8=1 HB2 GLU 37 - HD3 LYS 20 lone 5 75 - 7 - HB2 LYS 73 - HB3 ARG 91 lone 5 88 - 6 - HB3 LYS 73 - HB3 ARG 91 lone 5 85 - 6 - QE MET 1 - HB3 ARG 91 lone 5 94 - 5 - QE MET 1 - HD3 LYS 20 lone 4 77 - 6 - 38/3.5=1, 8023/2.8=1 HB2 LYS 73 - HD2 LYS 20 lone 4 83 - 5 - HB3 LYS 73 - HD2 LYS 20 lone 4 80 - 5 - HB2 LYS 73 - HD3 LYS 20 lone 3 70 - 5 - HB3 MET 74 - HD2 LYS 47 lone 3 98 - 3 - HB3 MET 74 - HD3 LYS 47 lone 3 98 - 3 - HB2 LYS 24 - HB3 ARG 91 lone 3 97 - 3 - HB3 LYS 24 - HB3 ARG 91 lone 3 97 - 3 - HB3 LYS 73 - HD3 LYS 20 lone 3 68 - 5 - HB3 MET 74 - HB3 ARG 91 lone 3 97 - 3 - HB2 ARG 46 - HD2 LYS 20 lone 2 93 - 3 - HB2 ARG 46 - HD3 LYS 20 lone 2 80 - 2 - HB3 ARG 46 - HD2 LYS 20 lone 2 88 - 2 - HB2 LYS 24 - HD2 LYS 20 lone 2 93 - 2 - HB3 LYS 24 - HD2 LYS 20 lone 2 93 - 2 - HB3 ARG 46 - HD3 LYS 20 lone 2 75 - 2 - HB3 MET 74 - HD2 LYS 20 lone 1 93 - 2 - HB3 LYS 24 - HD3 LYS 20 lone 1 80 - 2 - HB2 LYS 24 - HD3 LYS 20 lone 1 80 - 2 - HB3 MET 74 - HD3 LYS 20 lone 1 80 - 2 - Peak 2182 from cnoeabs.peaks (1.92, 1.68, 29.28 ppm; 3.05 A): 4 out of 65 assignments used, quality = 1.00: * HB3 LYS 47 + HD2 LYS 47 OK 85 100 - 85 - 3.9=46, 3.0/2174=8...(45) HB3 LYS 47 + HD3 LYS 47 OK 85 100 - 85 - 3.9=46, 3.0/2174=8...(45) HB3 LYS 20 + HD2 LYS 20 OK 76 86 - 89 - 3.5=64, 1.8/865=8...(38) HB3 LYS 20 + HD3 LYS 20 OK 64 73 - 88 - 3.5=64, 1.8/865=8...(37) HB2 LYS 94 - HD2 LYS 47 OK 32 100 - 32 - 2171/3.0=5, ~4203=4...(14) HB2 LYS 94 - HD3 LYS 47 OK 32 100 - 32 - 2171/3.0=5, ~4203=4...(14) HB2 LYS 13 - HD2 LYS 47 OK 30 96 - 32 - 2171/3.0=3, 500/3.0=2...(9) HB3 LYS 47 - HB3 ARG 91 OK 30 99 - 30 - 4184/3.0=4, 2150/1.8=3...(15) HB3 LYS 13 - HD2 LYS 47 OK 29 92 - 31 - 2171/3.0=3, 500/3.0=2...(9) HB2 LYS 13 - HD3 LYS 47 OK 28 95 - 30 - 2171/3.0=3, 500/3.0=2...(8) HB3 ARG 19 - HD2 LYS 20 OK 27 94 - 29 - 801/3.5=6, 4.1/6311=4...(10) HB3 LYS 13 - HD3 LYS 47 OK 27 91 - 30 - 2171/3.0=3, 500/3.0=2...(8) HB2 LYS 94 - HD2 LYS 20 OK 25 96 - 27 - 2152=2, 4193/3.0=2...(8) HB3 ARG 19 - HD3 LYS 20 OK 24 82 - 29 - 801/3.5=6, 4.1/6311=4...(10) HB2 LYS 94 - HD3 LYS 20 OK 22 84 - 26 - 2152=2, 4193/3.0=2...(8) HB3 LYS 20 - HD3 LYS 47 OK 19 91 - 21 - 877=2, 1.8/865=2...(4) HB3 LYS 20 - HD2 LYS 47 OK 19 92 - 21 - 877=2, 1.8/865=2...(4) HB3 LYS 47 - HD2 LYS 20 OK 19 97 - 19 - 2152=2, 3.0/2174=1...(6) HB3 LYS 47 - HD3 LYS 20 OK 16 85 - 19 - 2152=2, 896/2.8=1...(6) HB3 LYS 20 - HB3 ARG 91 OK 16 90 - 18 - ~10992=3, 877=2...(4) HB2 GLU 17 - HD2 LYS 20 OK 12 63 - 19 - 896/2.8=3, 885/2.8=2...(8) HB2 LYS 94 - HB3 ARG 91 OK 11 99 - 11 - 4184/3.0=2, ~4196=2...(4) HB2 GLU 43 - HB3 ARG 91 poor 10 64 - 15 - ~4026=1 HB2 GLU 17 - HD3 LYS 20 poor 9 52 - 18 - 896/2.8=3, 885/2.8=2...(8) HB2 MET 1 - HD2 LYS 47 poor 8 70 - 12 - 14/3.9=1, 2171/3.0=1 HB2 MET 1 - HD3 LYS 47 poor 8 69 - 12 - 14/3.9=1, 2171/3.0=1 HG3 GLU 88 - HB3 ARG 91 poor 7 60 - 12 - 4.2/4034=4, 3.0/12146=2...(4) HB2 LYS 33 - HD2 LYS 47 lone 7 97 - 7 - HB2 LYS 33 - HD3 LYS 47 lone 7 97 - 7 - HB3 LYS 33 - HD2 LYS 47 lone 6 94 - 7 - HB3 LYS 33 - HD3 LYS 47 lone 6 94 - 7 - HB2 GLU 43 - HD2 LYS 47 lone 5 65 - 8 - 4.4/8972=1 HB2 GLU 43 - HD3 LYS 47 lone 5 65 - 8 - 4.4/8972=1 HB VAL 32 - HD2 LYS 20 lone 5 67 - 8 - 2.1/8946=1 HB VAL 32 - HD3 LYS 20 lone 4 55 - 8 - 2.1/8946=1 HB2 LYS 13 - HB3 ARG 91 lone 4 94 - 4 - HB3 LYS 13 - HB3 ARG 91 lone 4 90 - 4 - HB2 MET 1 - HD2 LYS 20 lone 4 63 - 5 - HB3 ARG 19 - HD2 LYS 47 lone 3 99 - 3 - HB3 ARG 19 - HD3 LYS 47 lone 3 99 - 3 - HB2 GLU 43 - HD2 LYS 20 lone 3 60 - 5 - HB2 MET 1 - HD3 LYS 20 lone 3 52 - 5 - HB3 ARG 19 - HB3 ARG 91 lone 3 98 - 3 - HB2 GLU 17 - HD2 LYS 47 lone 2 70 - 3 - HB2 GLU 17 - HD3 LYS 47 lone 2 69 - 3 - HB2 GLU 43 - HD3 LYS 20 lone 2 49 - 5 - HG3 GLU 88 - HD2 LYS 47 lone 2 61 - 4 - 4.2/4034=1 HG3 GLU 88 - HD3 LYS 47 lone 2 61 - 4 - 4.2/4034=1 HB2 MET 1 - HB3 ARG 91 lone 2 68 - 3 - HG3 GLU 88 - HD2 LYS 20 lone 2 56 - 3 - HB VAL 32 - HB3 ARG 91 lone 2 71 - 2 - HB2 GLU 17 - HB3 ARG 91 lone 1 68 - 2 - HB VAL 32 - HD2 LYS 47 lone 1 73 - 2 - HB VAL 32 - HD3 LYS 47 lone 1 73 - 2 - HG3 GLU 88 - HD3 LYS 20 lone 1 46 - 3 - HB2 LYS 33 - HB3 ARG 91 lone 1 96 - 1 - HB2 LYS 13 - HD2 LYS 20 lone 1 90 - 1 - HB3 LYS 33 - HB3 ARG 91 lone 1 92 - 1 - HB3 LYS 13 - HD2 LYS 20 lone 1 86 - 1 - HB2 LYS 13 - HD3 LYS 20 lone 1 77 - 1 - HB2 LYS 33 - HD2 LYS 20 lone 1 92 - 1 - HB3 LYS 13 - HD3 LYS 20 lone 1 73 - 1 - HB3 LYS 33 - HD2 LYS 20 lone 1 88 - 1 - HB2 LYS 33 - HD3 LYS 20 lone 1 79 - 1 - HB3 LYS 33 - HD3 LYS 20 lone 1 75 - 1 - Peak 2183 from cnoeabs.peaks (1.49, 1.68, 29.28 ppm; 2.40 A): 3 out of 55 assignments used, quality = 1.00: HB2 ARG 91 + HB3 ARG 91 OK 98 98 - 100 - 1.8=100 * HG2 LYS 47 + HD2 LYS 47 OK 77 100 - 77 - 3.0=53, 1.8/2174=8...(17) HG2 LYS 47 + HD3 LYS 47 OK 77 100 - 77 - 3.0=53, 1.8/2174=8...(17) HB2 ARG 91 - HD2 LYS 47 OK 28 99 - 29 - 4028=3, 4028/1.8=3...(7) HB2 ARG 91 - HD3 LYS 47 OK 28 99 - 29 - 4028=3, 4028/1.8=3...(7) HG2 LYS 47 - HB3 ARG 91 OK 25 99 - 26 - 1.8/2174=3, 2163=2...(9) HG2 LYS 73 - HD2 LYS 47 OK 16 100 - 16 - 2162/3.0=2, 2163=1, 1.8/3277=1 HG3 LYS 13 - HD2 LYS 47 OK 16 98 - 16 - 2172/3.0=2, 2163=1 HG2 LYS 73 - HD3 LYS 47 OK 16 100 - 16 - 2162/3.0=2, 2163=1 HG3 LYS 13 - HD3 LYS 47 OK 15 98 - 15 - 2172/3.0=2, 2163=1 HB2 ARG 91 - HD2 LYS 20 OK 14 94 - 15 - 4028=2, 4030/2.8=1...(4) HB2 ARG 91 - HD3 LYS 20 OK 12 82 - 15 - 4028=2, 4030/2.8=1...(4) HG2 LYS 66 - HB3 ARG 91 OK 12 99 - 12 - 4046/2.8=1, 4055/2.8=1 HG3 LYS 66 - HB3 ARG 91 OK 12 99 - 12 - 4046/2.8=1, 4055/2.8=1 HG2 LYS 47 - HD2 LYS 20 OK 12 97 - 12 - 1.8/2174=1, 2163=1 HG2 LYS 47 - HD3 LYS 20 OK 10 85 - 12 - 1.8/2174=1, 2163=1 HG3 LYS 24 - HD2 LYS 47 poor 9 70 - 13 - 2172/3.0=1 HG3 LYS 24 - HD3 LYS 47 poor 9 69 - 13 - 2172/3.0=1 HB3 LEU 64 - HB3 ARG 91 lone 6 99 - 6 - HG LEU 57 - HB3 ARG 91 lone 5 90 - 6 - HG LEU 64 - HB3 ARG 91 lone 5 88 - 6 - HG2 LYS 73 - HB3 ARG 91 lone 5 99 - 5 - HG3 LYS 13 - HB3 ARG 91 lone 3 97 - 3 - HG2 LYS 73 - HD2 LYS 20 lone 3 96 - 3 - HG3 LYS 33 - HD3 LYS 47 lone 2 83 - 3 - HG3 LYS 33 - HD2 LYS 47 lone 2 84 - 3 - HG2 LYS 66 - HD3 LYS 47 lone 2 100 - 2 - HG2 LYS 66 - HD2 LYS 47 lone 2 100 - 2 - HG3 LYS 66 - HD3 LYS 47 lone 2 100 - 2 - HG3 LYS 66 - HD2 LYS 47 lone 2 100 - 2 - HG2 LYS 66 - HD2 LYS 20 lone 2 97 - 2 - HG3 LYS 66 - HD2 LYS 20 lone 2 96 - 2 - HG2 LYS 73 - HD3 LYS 20 lone 2 85 - 2 - HG2 LYS 66 - HD3 LYS 20 lone 2 85 - 2 - HG3 LYS 66 - HD3 LYS 20 lone 2 84 - 2 - HB3 LEU 64 - HD2 LYS 47 lone 2 100 - 2 - HB3 LEU 64 - HD3 LYS 47 lone 2 100 - 2 - HG LEU 64 - HD2 LYS 47 lone 1 90 - 1 - HG LEU 64 - HD3 LYS 47 lone 1 89 - 1 - HG LEU 57 - HD2 LYS 47 lone 1 92 - 1 - HG LEU 57 - HD3 LYS 47 lone 1 91 - 1 - HG3 LYS 33 - HB3 ARG 91 lone 1 82 - 1 - HG3 LYS 24 - HB3 ARG 91 lone 1 68 - 1 - HG3 LYS 13 - HD2 LYS 20 lone 1 93 - 1 - HB3 LEU 64 - HD2 LYS 20 lone 1 96 - 1 - HG3 LYS 13 - HD3 LYS 20 lone 1 80 - 1 - HB3 LEU 64 - HD3 LYS 20 lone 0 85 - 1 - HG LEU 64 - HD2 LYS 20 lone 0 83 - 0 - HG3 LYS 24 - HD2 LYS 20 lone 0 63 - 1 - HG LEU 64 - HD3 LYS 20 lone 0 70 - 0 - HG LEU 57 - HD2 LYS 20 lone 0 86 - 0 - HG3 LYS 33 - HD2 LYS 20 lone 0 77 - 0 - HG3 LYS 24 - HD3 LYS 20 lone 0 52 - 1 - HG3 LYS 33 - HD3 LYS 20 lone 0 65 - 0 - HG LEU 57 - HD3 LYS 20 lone 0 73 - 0 - Peak 2184 from cnoeabs.peaks (1.62, 1.68, 29.28 ppm; 2.40 A): 2 out of 25 assignments used, quality = 0.95: * HG3 LYS 47 + HD2 LYS 47 OK 77 100 - 77 - 3.0=53, 2174/1.8=8...(20) HG3 LYS 47 + HD3 LYS 47 OK 77 100 - 77 - 3.0=53, 2174/1.8=8...(20) HG3 LYS 47 - HB3 ARG 91 OK 24 99 - 24 - 2174=4, 2172/1.8=4...(4) HD2 LYS 94 - HD2 LYS 47 OK 21 100 - 21 - 2162/3.0=3, 2139/3.9=2...(7) HD2 LYS 94 - HD3 LYS 47 OK 21 100 - 21 - 2162/3.0=3, 2139/3.9=2...(7) HD2 LYS 94 - HD2 LYS 20 OK 15 96 - 15 - 4238/3.0=2, 4238/3.0=2 HG3 LYS 47 - HD2 LYS 20 OK 14 97 - 14 - 2174=2, 2174/1.8=1 HD2 LYS 94 - HD3 LYS 20 OK 13 84 - 15 - 4238/3.0=2, 4238/3.0=2 HG3 LYS 47 - HD3 LYS 20 OK 11 85 - 13 - 2174=2, 2174/1.8=1 HD2 LYS 94 - HB3 ARG 91 lone 3 99 - 3 - HG2 LYS 68 - HD2 LYS 20 lone 3 52 - 5 - HG2 LYS 68 - HD3 LYS 20 lone 2 42 - 5 - HB2 ARG 30 - HB3 ARG 91 lone 1 60 - 2 - HD3 LYS 39 - HD2 LYS 47 lone 0 61 - 1 - HD3 LYS 39 - HD3 LYS 47 lone 0 61 - 1 - HG2 LYS 68 - HD2 LYS 47 lone 0 57 - 1 - HG2 LYS 68 - HD3 LYS 47 lone 0 57 - 1 - HD3 LYS 39 - HB3 ARG 91 lone 0 60 - 1 - HD3 LYS 39 - HD2 LYS 20 lone 0 56 - 1 - HB2 ARG 30 - HD2 LYS 47 lone 0 61 - 0 - HB2 ARG 30 - HD3 LYS 47 lone 0 61 - 0 - HB2 ARG 30 - HD2 LYS 20 lone 0 56 - 0 - HD3 LYS 39 - HD3 LYS 20 lone 0 46 - 1 - HB2 ARG 30 - HD3 LYS 20 lone 0 46 - 0 - HG2 LYS 68 - HB3 ARG 91 lone 0 56 - 0 - Peak 2185 from cnoeabs.peaks (1.68, 1.68, 29.28 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HD2 LYS 47 + HD2 LYS 47 OK 100 100 - 100 HD3 LYS 47 + HD3 LYS 47 OK 100 100 - 100 HB3 ARG 91 + HB3 ARG 91 OK 99 99 - 100 HD2 LYS 20 + HD2 LYS 20 OK 96 96 - 100 HD3 LYS 20 + HD3 LYS 20 OK 80 80 - 100 Peak 2186 from cnoeabs.peaks (1.68, 1.68, 29.28 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD2 LYS 47 + HD2 LYS 47 OK 100 100 - 100 HD3 LYS 47 + HD3 LYS 47 OK 100 100 - 100 HB3 ARG 91 + HB3 ARG 91 OK 99 99 - 100 HD2 LYS 20 + HD2 LYS 20 OK 95 95 - 100 HD3 LYS 20 + HD3 LYS 20 OK 79 79 - 100 Reference assignment not found: HD3 LYS 47 - HD2 LYS 47 Peak 2187 from cnoeabs.peaks (2.97, 1.68, 29.28 ppm; 3.20 A): 4 out of 50 assignments used, quality = 1.00: HE3 LYS 47 + HD2 LYS 47 OK 100 100 - 100 - 3.0=100 * HE2 LYS 47 + HD2 LYS 47 OK 100 100 - 100 - 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 100 100 - 100 - 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 100 100 - 100 - 3.0=100 HE3 LYS 47 - HB3 ARG 91 OK 24 99 - 24 - 2205/1.8=2, 3.8/2174=2...(10) HE2 LYS 47 - HB3 ARG 91 OK 24 99 - 24 - 2205/1.8=2, 3.8/2174=2...(10) HE3 LYS 24 - HD2 LYS 47 OK 15 87 - 18 - 2176/3.0=2, 2155/3.9=1...(4) HE2 LYS 24 - HD2 LYS 47 OK 15 87 - 18 - 2176/3.0=2, 2155/3.9=1...(4) HE2 LYS 24 - HD3 LYS 47 OK 15 86 - 17 - 2176/3.0=2, 2155/3.9=1...(4) HE3 LYS 24 - HD3 LYS 47 OK 15 86 - 17 - 2176/3.0=2, 2155/3.9=1...(4) HE2 LYS 13 - HD2 LYS 47 OK 13 81 - 17 - 2177/3.0=2, 2154/3.9=1 HE2 LYS 13 - HD3 LYS 47 OK 13 80 - 17 - 2177/3.0=2, 2154/3.9=1 HE3 LYS 13 - HD2 LYS 47 OK 12 73 - 16 - 2177/3.0=2, ~2177=1, ~2176=1 HE3 LYS 13 - HD3 LYS 47 OK 12 73 - 16 - 2176/3.0=2, ~2177=1, ~2176=1 HE2 LYS 47 - HD2 LYS 20 lone 9 97 - 9 - 3.8/2174=1 HE3 LYS 47 - HD2 LYS 20 lone 9 97 - 9 - 3.8/2174=1 HE3 LYS 47 - HD3 LYS 20 lone 8 85 - 9 - 3.8/2174=1 HE2 LYS 47 - HD3 LYS 20 lone 8 85 - 9 - 3.8/2174=1 HB3 PHE 45 - HD2 LYS 47 lone 6 97 - 6 - HB3 PHE 45 - HD3 LYS 47 lone 6 97 - 6 - HB2 PHE 45 - HD2 LYS 47 lone 5 94 - 6 - HB2 PHE 45 - HD3 LYS 47 lone 5 94 - 6 - HB2 SER 9 - HD2 LYS 47 lone 5 70 - 8 - ~10615=2, ~10616=1 HB2 SER 9 - HD3 LYS 47 lone 5 69 - 8 - ~10615=2, ~10616=1 HE3 LYS 12 - HD2 LYS 47 lone 3 94 - 3 - HE3 LYS 12 - HD3 LYS 47 lone 3 94 - 3 - HE3 LYS 12 - HB3 ARG 91 lone 2 92 - 2 - HE2 LYS 13 - HB3 ARG 91 lone 2 79 - 2 - HE3 LYS 24 - HB3 ARG 91 lone 2 85 - 2 - HE2 LYS 24 - HB3 ARG 91 lone 2 85 - 2 - HE3 LYS 13 - HB3 ARG 91 lone 2 71 - 2 - HB3 PHE 45 - HB3 ARG 91 lone 1 96 - 1 - HB2 SER 9 - HD2 LYS 20 lone 1 63 - 2 - HB2 PHE 45 - HB3 ARG 91 lone 1 92 - 1 - HB2 SER 9 - HD3 LYS 20 lone 1 52 - 2 - HB2 PHE 45 - HD2 LYS 20 lone 1 88 - 1 - HB3 PHE 45 - HD2 LYS 20 lone 1 92 - 1 - HE3 LYS 12 - HD2 LYS 20 lone 1 88 - 1 - HB2 PHE 45 - HD3 LYS 20 lone 1 75 - 1 - HB3 PHE 45 - HD3 LYS 20 lone 1 79 - 1 - HE3 LYS 24 - HD2 LYS 20 lone 1 80 - 1 - HE2 LYS 24 - HD2 LYS 20 lone 1 80 - 1 - HE3 LYS 12 - HD3 LYS 20 lone 1 75 - 1 - HB2 SER 9 - HB3 ARG 91 lone 1 68 - 1 - HE2 LYS 13 - HD2 LYS 20 lone 1 74 - 1 - HE3 LYS 13 - HD2 LYS 20 lone 0 67 - 1 - HE3 LYS 24 - HD3 LYS 20 lone 0 68 - 1 - HE2 LYS 24 - HD3 LYS 20 lone 0 68 - 1 - HE2 LYS 13 - HD3 LYS 20 lone 0 62 - 1 - HE3 LYS 13 - HD3 LYS 20 lone 0 55 - 1 - Peak 2188 from cnoeabs.peaks (2.97, 1.68, 29.28 ppm; 3.20 A): 4 out of 50 assignments used, quality = 1.00: * HE3 LYS 47 + HD2 LYS 47 OK 100 100 - 100 - 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 100 100 - 100 - 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 100 100 - 100 - 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 100 100 - 100 - 3.0=100 HE3 LYS 47 - HB3 ARG 91 OK 24 99 - 24 - 2205/1.8=2, 3.8/2174=2...(10) HE2 LYS 47 - HB3 ARG 91 OK 24 99 - 24 - 2205/1.8=2, 3.8/2174=2...(10) HE3 LYS 24 - HD2 LYS 47 OK 15 87 - 18 - 2176/3.0=2, 2155/3.9=1...(4) HE2 LYS 24 - HD2 LYS 47 OK 15 87 - 18 - 2176/3.0=2, 2155/3.9=1...(4) HE2 LYS 24 - HD3 LYS 47 OK 15 86 - 17 - 2176/3.0=2, 2155/3.9=1...(4) HE3 LYS 24 - HD3 LYS 47 OK 15 86 - 17 - 2176/3.0=2, 2155/3.9=1...(4) HE2 LYS 13 - HD2 LYS 47 OK 13 81 - 17 - 2177/3.0=2, 2154/3.9=1 HE2 LYS 13 - HD3 LYS 47 OK 13 80 - 17 - 2177/3.0=2, 2154/3.9=1 HE3 LYS 13 - HD2 LYS 47 OK 12 73 - 16 - 2177/3.0=2, ~2177=1, ~2176=1 HE3 LYS 13 - HD3 LYS 47 OK 12 73 - 16 - 2176/3.0=2, ~2177=1, ~2176=1 HE2 LYS 47 - HD2 LYS 20 lone 9 97 - 9 - 3.8/2174=1 HE3 LYS 47 - HD2 LYS 20 lone 9 97 - 9 - 3.8/2174=1 HE3 LYS 47 - HD3 LYS 20 lone 8 85 - 9 - 3.8/2174=1 HE2 LYS 47 - HD3 LYS 20 lone 8 85 - 9 - 3.8/2174=1 HB3 PHE 45 - HD2 LYS 47 lone 6 97 - 6 - HB3 PHE 45 - HD3 LYS 47 lone 6 97 - 6 - HB2 PHE 45 - HD2 LYS 47 lone 5 94 - 6 - HB2 PHE 45 - HD3 LYS 47 lone 5 94 - 6 - HB2 SER 9 - HD2 LYS 47 lone 5 70 - 8 - ~10615=2, ~10616=1 HB2 SER 9 - HD3 LYS 47 lone 5 69 - 8 - ~10615=2, ~10616=1 HE3 LYS 12 - HD2 LYS 47 lone 3 94 - 3 - HE3 LYS 12 - HD3 LYS 47 lone 3 94 - 3 - HE3 LYS 12 - HB3 ARG 91 lone 2 92 - 2 - HE2 LYS 13 - HB3 ARG 91 lone 2 79 - 2 - HE3 LYS 24 - HB3 ARG 91 lone 2 85 - 2 - HE2 LYS 24 - HB3 ARG 91 lone 2 85 - 2 - HE3 LYS 13 - HB3 ARG 91 lone 2 71 - 2 - HB3 PHE 45 - HB3 ARG 91 lone 1 96 - 1 - HB2 SER 9 - HD2 LYS 20 lone 1 63 - 2 - HB2 PHE 45 - HB3 ARG 91 lone 1 92 - 1 - HB2 SER 9 - HD3 LYS 20 lone 1 52 - 2 - HB2 PHE 45 - HD2 LYS 20 lone 1 88 - 1 - HB3 PHE 45 - HD2 LYS 20 lone 1 92 - 1 - HE3 LYS 12 - HD2 LYS 20 lone 1 88 - 1 - HB2 PHE 45 - HD3 LYS 20 lone 1 75 - 1 - HB3 PHE 45 - HD3 LYS 20 lone 1 79 - 1 - HE3 LYS 24 - HD2 LYS 20 lone 1 80 - 1 - HE2 LYS 24 - HD2 LYS 20 lone 1 80 - 1 - HE3 LYS 12 - HD3 LYS 20 lone 1 75 - 1 - HB2 SER 9 - HB3 ARG 91 lone 1 68 - 1 - HE2 LYS 13 - HD2 LYS 20 lone 1 74 - 1 - HE3 LYS 13 - HD2 LYS 20 lone 0 67 - 1 - HE3 LYS 24 - HD3 LYS 20 lone 0 68 - 1 - HE2 LYS 24 - HD3 LYS 20 lone 0 68 - 1 - HE2 LYS 13 - HD3 LYS 20 lone 0 62 - 1 - HE3 LYS 13 - HD3 LYS 20 lone 0 55 - 1 - Peak 2189 from cnoeabs.peaks (7.62, 1.68, 29.28 ppm; 5.78 A): 4 out of 25 assignments used, quality = 0.99: * H GLU 48 + HD2 LYS 47 OK 81 100 - 81 - 6785/3.0=27, 2144/3.9=20...(11) H GLU 48 + HD3 LYS 47 OK 81 100 - 81 - 6785/3.0=27, 2144/3.9=20...(11) H GLU 44 + HD2 LYS 47 OK 61 81 - 76 - 2178/3.0=13, ~10615=13...(19) H GLU 44 + HD3 LYS 47 OK 60 80 - 76 - 2178/3.0=13, ~10615=13...(19) H GLU 48 - HB3 ARG 91 OK 35 99 - 35 - 6780/3.9=7, 6784/1.8=6...(10) H GLU 48 - HD2 LYS 20 OK 23 97 - 23 - 3.6/2128=2, 6786=2...(10) H GLU 48 - HD3 LYS 20 OK 20 85 - 23 - 6786=2, 3.6/2128=2...(10) HE22 GLN 50 - HD2 LYS 47 OK 19 96 - 19 - 2178/3.0=4, 2167/3.0=2...(8) HE22 GLN 50 - HD3 LYS 47 OK 18 95 - 19 - 2178/3.0=4, 2167/3.0=2...(8) HD22 ASN 10 - HD2 LYS 47 OK 17 92 - 18 - 2178/3.0=3, 2167/3.0=2...(8) HD22 ASN 10 - HD3 LYS 47 OK 17 91 - 18 - 2178/3.0=3, 2167/3.0=2...(8) H LYS 40 - HD2 LYS 47 OK 16 70 - 22 - 4.6/6647=2, 2178/3.0=2...(9) H LYS 40 - HD3 LYS 47 OK 16 69 - 22 - 4.6/6647=2, 2178/3.0=2...(9) H LYS 40 - HD2 LYS 20 OK 15 63 - 24 - 4.9/1820=2, 4.9/1809=2...(9) H GLU 44 - HB3 ARG 91 OK 15 79 - 19 - 4.6/10610=3, 3.6/4036=2...(7) H LYS 40 - HD3 LYS 20 OK 12 52 - 23 - 4.9/1820=2, 4.9/1809=2...(9) H LYS 40 - HB3 ARG 91 OK 12 68 - 17 - 4.9/1820=2, 4.9/1809=2...(6) H GLU 44 - HD2 LYS 20 poor 9 74 - 13 - 8972/2.8=1, 8972/1.8=1 HD22 ASN 10 - HB3 ARG 91 lone 8 90 - 9 - ~12239=2, ~9965=1, ~9964=1 H GLU 44 - HD3 LYS 20 poor 7 62 - 12 - 8972/2.8=1, 8972/1.8=1 HD22 ASN 10 - HD2 LYS 20 lone 6 86 - 7 - HD22 ASN 10 - HD3 LYS 20 lone 5 73 - 7 - HE22 GLN 50 - HB3 ARG 91 lone 4 94 - 4 - HE22 GLN 50 - HD2 LYS 20 lone 4 90 - 5 - HE22 GLN 50 - HD3 LYS 20 lone 3 77 - 4 - Peak 2190 from cnoeabs.peaks (7.47, 1.68, 29.28 ppm; 3.37 A): 3 out of 30 assignments used, quality = 0.99: H ARG 91 + HB3 ARG 91 OK 87 100 - 87 - 3.9=64, 7442/1.8=18...(15) * H LYS 47 + HD3 LYS 47 OK 70 100 - 70 - 6773/3.0=19, 6.3=15...(21) H LYS 47 + HD2 LYS 47 OK 70 100 - 70 - 6773/3.0=19, 6.3=15...(21) H ARG 91 - HD3 LYS 47 OK 41 100 - 41 - 2168/3.0=6, 7442/3.0=6...(16) H ARG 91 - HD2 LYS 47 OK 40 100 - 41 - 2168/3.0=6, 7442/3.0=6...(16) H LYS 47 - HB3 ARG 91 OK 40 100 - 41 - 4025/1.8=9, 4044/2.8=5...(12) HE ARG 46 - HB3 ARG 91 OK 23 100 - 23 - 4025/1.8=4, 7455/4.3=3...(10) HE ARG 46 - HD3 LYS 47 OK 16 100 - 16 - 2168/3.0=4, 2134/3.9=2...(8) HE ARG 46 - HD2 LYS 47 OK 16 100 - 16 - 2168/3.0=4, 2134/3.9=2...(8) H ARG 91 - HD2 LYS 20 OK 14 93 - 15 - 7443=2, 7445/2.8=2...(6) H ARG 91 - HD3 LYS 20 OK 11 78 - 14 - 7443=2, 7445/2.8=2...(5) H LYS 47 - HD2 LYS 20 OK 11 94 - 12 - 6774=1, 2.9/2128=1, 6774/1.8=1 H LYS 47 - HD3 LYS 20 poor 9 78 - 12 - 6774=1, 2.9/2128=1, 6774/1.8=1 HD22 ASN 26 - HB3 ARG 91 lone 9 99 - 9 - 4025/1.8=2, 4044/2.8=1 HD22 ASN 26 - HD3 LYS 47 lone 6 99 - 6 - 2168/3.0=1 HD22 ASN 26 - HD2 LYS 47 lone 6 99 - 6 - 2168/3.0=1 HE ARG 19 - HD2 LYS 20 lone 3 49 - 6 - 11044/3.5=1, 11047/3.5=1 HE ARG 19 - HD3 LYS 20 lone 2 38 - 6 - 11044/3.5=1, 11047/3.5=1 HE ARG 19 - HB3 ARG 91 lone 2 57 - 4 - HE ARG 46 - HD2 LYS 20 lone 2 93 - 2 - HE ARG 46 - HD3 LYS 20 lone 1 78 - 2 - HZ2 TRP 92 - HB3 ARG 91 lone 1 61 - 2 - 8.7/7458=1 HE ARG 19 - HD3 LYS 47 lone 1 57 - 2 - HE ARG 19 - HD2 LYS 47 lone 1 57 - 2 - HZ2 TRP 92 - HD3 LYS 47 lone 1 61 - 2 - HZ2 TRP 92 - HD2 LYS 47 lone 1 61 - 2 - HD22 ASN 26 - HD2 LYS 20 lone 1 92 - 1 - HD22 ASN 26 - HD3 LYS 20 lone 1 77 - 1 - HZ2 TRP 92 - HD2 LYS 20 lone 0 53 - 1 - HZ2 TRP 92 - HD3 LYS 20 lone 0 41 - 1 - Peak 2191 from cnoeabs.peaks (4.14, 1.68, 29.28 ppm; 5.28 A): 5 out of 40 assignments used, quality = 1.00: * HA LYS 47 + HD3 LYS 47 OK 100 100 - 100 - 5.1=100 HA LYS 47 + HD2 LYS 47 OK 100 100 - 100 - 5.1=100 HA LYS 47 + HB3 ARG 91 OK 70 100 - 71 - ~4025=10, 2126/1.8=9...(24) HA LYS 13 + HD2 LYS 47 OK 49 89 - 55 - 2169/3.0=8, 2147/3.9=5...(29) HA LYS 13 + HD3 LYS 47 OK 48 90 - 54 - 2169/3.0=8, 2147/3.9=5...(26) HA GLU 23 - HB3 ARG 91 OK 42 100 - 43 - 10463/2.8=11, ~10461=8...(12) HA GLN 72 - HD3 LYS 47 OK 40 90 - 44 - ~10841=9, 2169/3.0=7...(13) HA GLN 72 - HD2 LYS 47 OK 39 89 - 44 - ~10841=9, 2169/3.0=7...(13) HA LYS 47 - HD2 LYS 20 OK 35 94 - 37 - 2128=2, 2128/1.8=2...(18) HA LYS 47 - HD3 LYS 20 OK 29 78 - 37 - 2128/1.8=2, 2128=2...(20) HA MET 1 - HD3 LYS 47 OK 24 81 - 30 - 7/3.9=5, 2169/3.0=4...(12) HA MET 1 - HD2 LYS 47 OK 24 80 - 30 - 7/3.9=5, 2169/3.0=4...(12) HA GLU 23 - HD3 LYS 47 OK 20 100 - 20 - 2169/3.0=3, 2147/3.9=2...(9) HA GLU 23 - HD2 LYS 47 OK 20 100 - 20 - 2169/3.0=3, 2147/3.9=2...(9) HA GLU 23 - HD2 LYS 20 OK 13 93 - 15 - 10463/2.8=4, ~10461=2...(4) HA GLU 23 - HD3 LYS 20 OK 11 77 - 14 - 10463/2.8=4, ~10461=2...(4) HA MET 1 - HD2 LYS 20 OK 10 71 - 14 - 3/3.5=2, 8005/3.0=1...(5) HA LYS 13 - HB3 ARG 91 poor 9 89 - 10 - HA MET 1 - HD3 LYS 20 poor 8 56 - 14 - 3/3.5=2, 8005/3.0=1...(6) HA MET 1 - HB3 ARG 91 lone 7 80 - 9 - 8006/3.5=2 HA GLU 99 - HD2 LYS 20 poor 6 49 - 12 - ~893=3, ~882=2...(5) HA GLU 99 - HB3 ARG 91 lone 5 57 - 9 - 3.6/4043=4, ~7607=2, 4404/4.3=1 HA GLU 99 - HD3 LYS 20 poor 5 38 - 12 - ~893=3, ~882=2...(5) HB2 SER 59 - HD2 LYS 20 lone 5 67 - 6 - HA GLU 104 - HB3 ARG 91 lone 4 69 - 6 - 11073/4.6=3 HA GLN 72 - HB3 ARG 91 lone 4 89 - 4 - HB2 SER 59 - HD3 LYS 47 lone 4 77 - 5 - HA LYS 13 - HD2 LYS 20 lone 4 80 - 4 - HB2 SER 59 - HB3 ARG 91 lone 4 77 - 5 - ~10992=2 HB2 SER 59 - HD2 LYS 47 lone 4 77 - 5 - HB2 SER 59 - HD3 LYS 20 lone 3 53 - 6 - HA GLN 72 - HD2 LYS 20 lone 3 80 - 4 - HA LYS 13 - HD3 LYS 20 lone 3 64 - 4 - HA GLN 72 - HD3 LYS 20 lone 2 64 - 4 - HA GLU 99 - HD3 LYS 47 lone 2 57 - 4 - HA GLU 99 - HD2 LYS 47 lone 2 57 - 4 - HA GLU 104 - HD3 LYS 47 lone 2 70 - 3 - HA GLU 104 - HD2 LYS 47 lone 2 69 - 3 - HA GLU 104 - HD2 LYS 20 lone 2 60 - 3 - HA GLU 104 - HD3 LYS 20 lone 1 47 - 2 - Peak 2192 from cnoeabs.peaks (1.97, 1.68, 29.28 ppm; 3.14 A): 2 out of 50 assignments used, quality = 0.98: HB2 LYS 47 + HD2 LYS 47 OK 87 100 - 87 - 3.9=50, 3.0/2174=9...(49) * HB2 LYS 47 + HD3 LYS 47 OK 87 100 - 87 - 3.9=50, 3.0/2174=9...(49) HB3 LYS 24 - HD2 LYS 47 OK 33 98 - 34 - 2170/3.0=3, 2148/3.9=2...(11) HB2 LYS 24 - HD2 LYS 47 OK 33 98 - 34 - 2170/3.0=3, 2148/3.9=2...(11) HB2 LYS 24 - HD3 LYS 47 OK 33 98 - 34 - 2170/3.0=3, 2148/3.9=2...(12) HB3 LYS 24 - HD3 LYS 47 OK 33 98 - 34 - 2170/3.0=3, 2148/3.9=2...(12) HB2 LYS 47 - HB3 ARG 91 OK 32 100 - 33 - 2138/1.8=3, 2134/3.9=3...(15) HB2 LYS 73 - HD2 LYS 47 OK 26 89 - 30 - 2170/3.0=2, ~2170=1...(5) HB2 LYS 73 - HD3 LYS 47 OK 26 90 - 29 - 2170/3.0=2, ~2170=1...(4) HB3 LYS 73 - HD2 LYS 47 OK 25 86 - 30 - 2170/3.0=2, ~2170=1...(4) HB3 LYS 73 - HD3 LYS 47 OK 25 87 - 29 - 2170/3.0=2, ~2170=1, 2159/3.0=1 HB2 ARG 46 - HB3 ARG 91 OK 23 98 - 23 - 2066/3.0=4, 2075/3.9=3...(10) HB3 ARG 46 - HB3 ARG 91 OK 21 94 - 23 - 2076/3.0=3, 2085/3.9=3...(9) HB2 LYS 47 - HD2 LYS 20 OK 19 94 - 20 - 2140=2, 3.0/2174=1...(5) HB2 LYS 47 - HD3 LYS 20 OK 16 78 - 20 - 2140=1, 3.0/2174=1...(5) HB2 ARG 46 - HD3 LYS 47 OK 16 98 - 16 - 4.7/6774=3, 2170/3.0=2...(7) HB2 ARG 46 - HD2 LYS 47 OK 16 98 - 16 - 4.7/6774=3, 2170/3.0=2...(7) HB3 ARG 46 - HD3 LYS 47 OK 15 94 - 16 - 4.7/6774=3, 10613/3.0=2...(8) HB3 ARG 46 - HD2 LYS 47 OK 15 94 - 16 - 4.7/6774=3, 10613/3.0=2...(8) QE MET 1 - HD3 LYS 47 lone 8 96 - 9 - 38/3.9=1, 37/5.1=1, 2170/3.0=1 QE MET 1 - HD2 LYS 47 lone 8 95 - 9 - 38/3.9=1, 37/5.1=1, 2170/3.0=1 HB2 GLU 37 - HB3 ARG 91 lone 7 94 - 8 - 3.0/1586=2, 4.6/8852=1 HB2 GLU 37 - HD2 LYS 20 lone 6 85 - 7 - 3.0/1586=1 HB2 GLU 37 - HD3 LYS 47 lone 6 94 - 6 - HB2 GLU 37 - HD2 LYS 47 lone 6 94 - 6 - HB2 LYS 73 - HB3 ARG 91 lone 5 89 - 6 - QE MET 1 - HD2 LYS 20 lone 5 87 - 6 - 38/3.5=1, 8023/2.8=1 HB3 LYS 73 - HB3 ARG 91 lone 5 86 - 6 - QE MET 1 - HB3 ARG 91 lone 5 95 - 5 - HB2 GLU 37 - HD3 LYS 20 lone 5 69 - 7 - HB2 LYS 73 - HD2 LYS 20 lone 4 80 - 5 - QE MET 1 - HD3 LYS 20 lone 4 71 - 6 - 38/3.5=1, 8023/2.8=1 HB3 LYS 73 - HD2 LYS 20 lone 4 77 - 5 - HB3 LYS 24 - HB3 ARG 91 lone 3 98 - 3 - HB2 LYS 24 - HB3 ARG 91 lone 3 98 - 3 - HB3 MET 74 - HD2 LYS 47 lone 3 98 - 3 - HB3 MET 74 - HD3 LYS 47 lone 3 98 - 3 - HB3 MET 74 - HB3 ARG 91 lone 3 98 - 3 - HB2 LYS 73 - HD3 LYS 20 lone 3 64 - 5 - HB3 LYS 73 - HD3 LYS 20 lone 3 62 - 4 - HB2 ARG 46 - HD2 LYS 20 lone 2 90 - 3 - HB3 ARG 46 - HD2 LYS 20 lone 2 85 - 2 - HB2 ARG 46 - HD3 LYS 20 lone 2 74 - 2 - HB3 LYS 24 - HD2 LYS 20 lone 2 90 - 2 - HB2 LYS 24 - HD2 LYS 20 lone 2 90 - 2 - HB3 ARG 46 - HD3 LYS 20 lone 1 69 - 2 - HB3 MET 74 - HD2 LYS 20 lone 1 90 - 2 - HB3 LYS 24 - HD3 LYS 20 lone 1 74 - 2 - HB2 LYS 24 - HD3 LYS 20 lone 1 74 - 2 - HB3 MET 74 - HD3 LYS 20 lone 1 74 - 2 - Peak 2193 from cnoeabs.peaks (1.92, 1.68, 29.28 ppm; 3.05 A): 4 out of 65 assignments used, quality = 1.00: HB3 LYS 47 + HD2 LYS 47 OK 85 100 - 85 - 3.9=46, 3.0/2174=8...(45) * HB3 LYS 47 + HD3 LYS 47 OK 85 100 - 85 - 3.9=46, 3.0/2174=8...(45) HB3 LYS 20 + HD2 LYS 20 OK 73 82 - 89 - 3.5=64, 1.8/865=8...(38) HB3 LYS 20 + HD3 LYS 20 OK 59 67 - 88 - 3.5=64, 1.8/865=7...(37) HB2 LYS 94 - HD3 LYS 47 OK 32 100 - 32 - 2171/3.0=5, ~4203=4...(14) HB2 LYS 94 - HD2 LYS 47 OK 32 100 - 32 - 2171/3.0=5, ~4203=4...(14) HB2 LYS 13 - HD2 LYS 47 OK 30 95 - 32 - 2171/3.0=3, 500/3.0=2...(9) HB3 LYS 47 - HB3 ARG 91 OK 30 100 - 30 - 4184/3.0=4, 2150/1.8=3...(15) HB2 LYS 13 - HD3 LYS 47 OK 29 96 - 30 - 2171/3.0=3, 500/3.0=2...(8) HB3 LYS 13 - HD2 LYS 47 OK 29 91 - 31 - 2171/3.0=3, 500/3.0=2...(9) HB3 LYS 13 - HD3 LYS 47 OK 27 92 - 30 - 2171/3.0=3, 500/3.0=2...(8) HB3 ARG 19 - HD2 LYS 20 OK 26 91 - 29 - 801/3.5=6, 4.1/6311=4...(10) HB2 LYS 94 - HD2 LYS 20 OK 25 93 - 26 - 2152=2, 4193/3.0=2...(8) HB3 ARG 19 - HD3 LYS 20 OK 22 75 - 29 - 801/3.5=6, 4.1/6311=4...(10) HB2 LYS 94 - HD3 LYS 20 OK 20 78 - 26 - 2152=2, 4193/3.0=2...(8) HB3 LYS 20 - HD3 LYS 47 OK 19 92 - 21 - 877=2, 1.8/865=2...(4) HB3 LYS 20 - HD2 LYS 47 OK 19 91 - 21 - 877=2, 1.8/865=2...(4) HB3 LYS 47 - HD2 LYS 20 OK 18 94 - 19 - 2152=2, 3.0/2174=1...(6) HB3 LYS 20 - HB3 ARG 91 OK 16 91 - 18 - ~10992=3, 877=2...(4) HB3 LYS 47 - HD3 LYS 20 OK 15 78 - 19 - 2152=2, 896/2.8=1...(6) HB2 GLU 17 - HD2 LYS 20 OK 11 60 - 19 - 896/2.8=3, 885/2.8=2...(8) HB2 LYS 94 - HB3 ARG 91 OK 11 100 - 11 - 4184/3.0=2, ~4196=2...(4) HB2 GLU 43 - HB3 ARG 91 OK 10 65 - 15 - ~4026=1 HB2 GLU 17 - HD3 LYS 20 poor 8 47 - 18 - 896/2.8=3, 885/2.8=2...(8) HB2 MET 1 - HD3 LYS 47 poor 8 70 - 12 - 14/3.9=1, 2171/3.0=1 HB2 MET 1 - HD2 LYS 47 poor 8 69 - 12 - 14/3.9=1, 2171/3.0=1 HG3 GLU 88 - HB3 ARG 91 poor 7 61 - 12 - 4.2/4034=4, 3.0/12145=2...(4) HB2 LYS 33 - HD3 LYS 47 lone 7 97 - 7 - HB2 LYS 33 - HD2 LYS 47 lone 7 97 - 7 - HB3 LYS 33 - HD3 LYS 47 lone 6 94 - 7 - HB3 LYS 33 - HD2 LYS 47 lone 6 94 - 7 - HB2 GLU 43 - HD3 LYS 47 lone 5 65 - 8 - 4.4/8972=1 HB2 GLU 43 - HD2 LYS 47 lone 5 65 - 8 - 4.4/8972=1 HB VAL 32 - HD2 LYS 20 lone 5 64 - 8 - 2.1/8946=1 HB2 LYS 13 - HB3 ARG 91 lone 4 95 - 4 - HB3 LYS 13 - HB3 ARG 91 lone 4 91 - 4 - HB VAL 32 - HD3 LYS 20 lone 4 50 - 8 - 2.1/8946=1 HB2 MET 1 - HD2 LYS 20 lone 3 60 - 5 - HB3 ARG 19 - HD3 LYS 47 lone 3 99 - 3 - HB3 ARG 19 - HD2 LYS 47 lone 3 99 - 3 - HB3 ARG 19 - HB3 ARG 91 lone 3 99 - 3 - HB2 GLU 43 - HD2 LYS 20 lone 3 57 - 5 - HB2 MET 1 - HD3 LYS 20 lone 3 47 - 5 - HB2 GLU 17 - HD3 LYS 47 lone 2 70 - 3 - HB2 GLU 17 - HD2 LYS 47 lone 2 69 - 3 - HB2 MET 1 - HB3 ARG 91 lone 2 69 - 3 - HG3 GLU 88 - HD3 LYS 47 lone 2 61 - 4 - 4.2/4034=1 HG3 GLU 88 - HD2 LYS 47 lone 2 61 - 4 - 4.2/4034=1 HB2 GLU 43 - HD3 LYS 20 lone 2 44 - 5 - HB VAL 32 - HB3 ARG 91 lone 2 73 - 2 - HG3 GLU 88 - HD2 LYS 20 lone 2 53 - 3 - HB2 GLU 17 - HB3 ARG 91 lone 1 69 - 2 - HB VAL 32 - HD3 LYS 47 lone 1 73 - 2 - HB VAL 32 - HD2 LYS 47 lone 1 73 - 2 - HB2 LYS 33 - HB3 ARG 91 lone 1 97 - 1 - HB3 LYS 33 - HB3 ARG 91 lone 1 94 - 1 - HB2 LYS 13 - HD2 LYS 20 lone 1 87 - 1 - HG3 GLU 88 - HD3 LYS 20 lone 1 41 - 3 - HB3 LYS 13 - HD2 LYS 20 lone 1 82 - 1 - HB2 LYS 13 - HD3 LYS 20 lone 1 71 - 1 - HB2 LYS 33 - HD2 LYS 20 lone 1 88 - 1 - HB3 LYS 33 - HD2 LYS 20 lone 1 85 - 1 - HB3 LYS 13 - HD3 LYS 20 lone 1 67 - 1 - HB2 LYS 33 - HD3 LYS 20 lone 1 73 - 1 - HB3 LYS 33 - HD3 LYS 20 lone 1 69 - 1 - Peak 2194 from cnoeabs.peaks (1.49, 1.68, 29.28 ppm; 2.40 A): 3 out of 55 assignments used, quality = 1.00: HB2 ARG 91 + HB3 ARG 91 OK 99 99 - 100 - 1.8=100 * HG2 LYS 47 + HD3 LYS 47 OK 77 100 - 77 - 3.0=53, 1.8/2174=8...(17) HG2 LYS 47 + HD2 LYS 47 OK 77 100 - 77 - 3.0=53, 1.8/2174=8...(17) HB2 ARG 91 - HD3 LYS 47 OK 28 99 - 29 - 4028=3, 4028/1.8=3...(7) HB2 ARG 91 - HD2 LYS 47 OK 28 99 - 29 - 4028=3, 4028/1.8=3...(7) HG2 LYS 47 - HB3 ARG 91 OK 25 100 - 26 - 1.8/2174=3, 2163=2...(9) HG3 LYS 13 - HD2 LYS 47 OK 16 98 - 16 - 2172/3.0=2, 2163=1 HG2 LYS 73 - HD2 LYS 47 OK 16 100 - 16 - 2162/3.0=2, 2163=1 HG2 LYS 73 - HD3 LYS 47 OK 16 100 - 16 - 2162/3.0=2, 2163=1 HG3 LYS 13 - HD3 LYS 47 OK 15 98 - 16 - 2172/3.0=2, 2163=1 HB2 ARG 91 - HD2 LYS 20 OK 14 91 - 15 - 4028=2, 4030/2.8=1...(4) HG2 LYS 66 - HB3 ARG 91 OK 12 100 - 12 - 4046/2.8=1, 4055/2.8=1 HG3 LYS 66 - HB3 ARG 91 OK 12 100 - 12 - 4046/2.8=1, 4055/2.8=1 HG2 LYS 47 - HD2 LYS 20 OK 11 94 - 12 - 1.8/2174=1, 2163=1 HB2 ARG 91 - HD3 LYS 20 OK 11 75 - 15 - 4028=2, 4030/2.8=1...(4) HG2 LYS 47 - HD3 LYS 20 poor 9 78 - 12 - 1.8/2174=1, 2163=1 HG3 LYS 24 - HD2 LYS 47 poor 9 69 - 13 - 2172/3.0=1 HG3 LYS 24 - HD3 LYS 47 poor 9 70 - 13 - 2172/3.0=1 HB3 LEU 64 - HB3 ARG 91 lone 6 100 - 6 - HG LEU 57 - HB3 ARG 91 lone 5 91 - 6 - HG LEU 64 - HB3 ARG 91 lone 5 89 - 6 - HG2 LYS 73 - HB3 ARG 91 lone 5 100 - 5 - HG3 LYS 13 - HB3 ARG 91 lone 3 98 - 3 - HG2 LYS 73 - HD2 LYS 20 lone 3 94 - 3 - HG3 LYS 33 - HD3 LYS 47 lone 2 84 - 3 - HG3 LYS 33 - HD2 LYS 47 lone 2 83 - 3 - HG2 LYS 66 - HD3 LYS 47 lone 2 100 - 2 - HG2 LYS 66 - HD2 LYS 47 lone 2 100 - 2 - HG3 LYS 66 - HD3 LYS 47 lone 2 100 - 2 - HG3 LYS 66 - HD2 LYS 47 lone 2 100 - 2 - HG2 LYS 66 - HD2 LYS 20 lone 2 94 - 2 - HG3 LYS 66 - HD2 LYS 20 lone 2 93 - 2 - HG2 LYS 73 - HD3 LYS 20 lone 2 78 - 2 - HG2 LYS 66 - HD3 LYS 20 lone 2 78 - 2 - HG3 LYS 66 - HD3 LYS 20 lone 2 78 - 2 - HB3 LEU 64 - HD3 LYS 47 lone 2 100 - 2 - HB3 LEU 64 - HD2 LYS 47 lone 2 100 - 2 - HG LEU 64 - HD3 LYS 47 lone 1 90 - 1 - HG LEU 64 - HD2 LYS 47 lone 1 89 - 1 - HG LEU 57 - HD3 LYS 47 lone 1 92 - 1 - HG LEU 57 - HD2 LYS 47 lone 1 91 - 1 - HG3 LYS 24 - HB3 ARG 91 lone 1 69 - 1 - HG3 LYS 33 - HB3 ARG 91 lone 1 83 - 1 - HG3 LYS 13 - HD2 LYS 20 lone 1 90 - 1 - HB3 LEU 64 - HD2 LYS 20 lone 1 94 - 1 - HG3 LYS 13 - HD3 LYS 20 lone 0 74 - 1 - HB3 LEU 64 - HD3 LYS 20 lone 0 78 - 1 - HG LEU 64 - HD2 LYS 20 lone 0 80 - 0 - HG3 LYS 24 - HD2 LYS 20 lone 0 60 - 1 - HG LEU 64 - HD3 LYS 20 lone 0 64 - 0 - HG LEU 57 - HD2 LYS 20 lone 0 82 - 0 - HG3 LYS 33 - HD2 LYS 20 lone 0 74 - 0 - HG3 LYS 24 - HD3 LYS 20 lone 0 47 - 1 - HG3 LYS 33 - HD3 LYS 20 lone 0 59 - 0 - HG LEU 57 - HD3 LYS 20 lone 0 67 - 0 - Peak 2195 from cnoeabs.peaks (1.62, 1.68, 29.28 ppm; 2.40 A): 2 out of 25 assignments used, quality = 0.95: HG3 LYS 47 + HD2 LYS 47 OK 77 100 - 77 - 3.0=53, 2174/1.8=8...(20) * HG3 LYS 47 + HD3 LYS 47 OK 77 100 - 77 - 3.0=53, 2174/1.8=8...(20) HG3 LYS 47 - HB3 ARG 91 OK 24 100 - 24 - 2174=4, 2172/1.8=4...(4) HD2 LYS 94 - HD3 LYS 47 OK 21 100 - 21 - 2162/3.0=3, 2139/3.9=2...(7) HD2 LYS 94 - HD2 LYS 47 OK 21 100 - 21 - 2162/3.0=3, 2139/3.9=2...(7) HD2 LYS 94 - HD2 LYS 20 OK 14 93 - 15 - 4238/3.0=2, 4238/3.0=2 HG3 LYS 47 - HD2 LYS 20 OK 13 94 - 14 - 2174=2, 2174/1.8=1 HD2 LYS 94 - HD3 LYS 20 OK 12 78 - 15 - 4238/3.0=2, 4238/3.0=2 HG3 LYS 47 - HD3 LYS 20 OK 11 78 - 13 - 2174=2, 2174/1.8=1 HD2 LYS 94 - HB3 ARG 91 lone 3 100 - 3 - HG2 LYS 68 - HD2 LYS 20 lone 3 49 - 5 - HG2 LYS 68 - HD3 LYS 20 lone 2 38 - 5 - HB2 ARG 30 - HB3 ARG 91 lone 1 61 - 2 - HD3 LYS 39 - HD3 LYS 47 lone 0 61 - 1 - HD3 LYS 39 - HD2 LYS 47 lone 0 61 - 1 - HG2 LYS 68 - HD3 LYS 47 lone 0 57 - 1 - HG2 LYS 68 - HD2 LYS 47 lone 0 57 - 1 - HD3 LYS 39 - HB3 ARG 91 lone 0 61 - 1 - HB2 ARG 30 - HD3 LYS 47 lone 0 61 - 0 - HB2 ARG 30 - HD2 LYS 47 lone 0 61 - 0 - HD3 LYS 39 - HD2 LYS 20 lone 0 53 - 1 - HB2 ARG 30 - HD2 LYS 20 lone 0 53 - 0 - HD3 LYS 39 - HD3 LYS 20 lone 0 41 - 1 - HG2 LYS 68 - HB3 ARG 91 lone 0 57 - 0 - HB2 ARG 30 - HD3 LYS 20 lone 0 41 - 0 - Peak 2196 from cnoeabs.peaks (1.68, 1.68, 29.28 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD3 LYS 47 + HD3 LYS 47 OK 100 100 - 100 HD2 LYS 47 + HD2 LYS 47 OK 100 100 - 100 HB3 ARG 91 + HB3 ARG 91 OK 100 100 - 100 HD2 LYS 20 + HD2 LYS 20 OK 93 93 - 100 HD3 LYS 20 + HD3 LYS 20 OK 74 74 - 100 Reference assignment not found: HD2 LYS 47 - HD3 LYS 47 Peak 2197 from cnoeabs.peaks (1.68, 1.68, 29.28 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HD3 LYS 47 + HD3 LYS 47 OK 100 100 - 100 HD2 LYS 47 + HD2 LYS 47 OK 100 100 - 100 HB3 ARG 91 + HB3 ARG 91 OK 100 100 - 100 HD2 LYS 20 + HD2 LYS 20 OK 92 92 - 100 HD3 LYS 20 + HD3 LYS 20 OK 73 73 - 100 Peak 2198 from cnoeabs.peaks (2.97, 1.68, 29.28 ppm; 3.20 A): 4 out of 50 assignments used, quality = 1.00: * HE2 LYS 47 + HD3 LYS 47 OK 100 100 - 100 - 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 100 100 - 100 - 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 100 100 - 100 - 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 100 100 - 100 - 3.0=100 HE3 LYS 47 - HB3 ARG 91 OK 24 100 - 24 - 2205/1.8=2, 3.8/2174=2...(10) HE2 LYS 47 - HB3 ARG 91 OK 24 100 - 24 - 2205/1.8=2, 3.8/2174=2...(10) HE3 LYS 24 - HD2 LYS 47 OK 15 86 - 18 - 2176/3.0=2, 2155/3.9=1...(4) HE2 LYS 24 - HD2 LYS 47 OK 15 86 - 18 - 2176/3.0=2, 2155/3.9=1...(4) HE2 LYS 24 - HD3 LYS 47 OK 15 87 - 17 - 2177/3.0=2, 2155/3.9=1...(4) HE3 LYS 24 - HD3 LYS 47 OK 15 87 - 17 - 2177/3.0=2, 2155/3.9=1...(4) HE2 LYS 13 - HD3 LYS 47 OK 13 81 - 17 - 2177/3.0=2, 2154/3.9=1 HE2 LYS 13 - HD2 LYS 47 OK 13 80 - 17 - 2177/3.0=2, 2154/3.9=1 HE3 LYS 13 - HD3 LYS 47 OK 12 73 - 16 - 2177/3.0=2, ~2177=1, ~2176=1 HE3 LYS 13 - HD2 LYS 47 OK 12 73 - 16 - 2177/3.0=2, ~2177=1, ~2176=1 HE2 LYS 47 - HD2 LYS 20 lone 9 94 - 9 - 3.8/2174=1 HE3 LYS 47 - HD2 LYS 20 lone 9 94 - 9 - 3.8/2174=1 HE3 LYS 47 - HD3 LYS 20 lone 7 78 - 9 - 3.8/2174=1 HE2 LYS 47 - HD3 LYS 20 lone 7 78 - 9 - 3.8/2174=1 HB3 PHE 45 - HD3 LYS 47 lone 6 97 - 6 - HB3 PHE 45 - HD2 LYS 47 lone 6 97 - 6 - HB2 PHE 45 - HD3 LYS 47 lone 6 94 - 6 - HB2 PHE 45 - HD2 LYS 47 lone 5 94 - 6 - HB2 SER 9 - HD3 LYS 47 lone 5 70 - 8 - ~10615=2, ~10616=1 HB2 SER 9 - HD2 LYS 47 lone 5 69 - 8 - ~10615=2, ~10616=1 HE3 LYS 12 - HD2 LYS 47 lone 3 94 - 3 - HE3 LYS 12 - HD3 LYS 47 lone 3 94 - 3 - HE3 LYS 12 - HB3 ARG 91 lone 2 94 - 2 - HE2 LYS 13 - HB3 ARG 91 lone 2 80 - 2 - HE3 LYS 24 - HB3 ARG 91 lone 2 86 - 2 - HE2 LYS 24 - HB3 ARG 91 lone 2 86 - 2 - HE3 LYS 13 - HB3 ARG 91 lone 2 73 - 2 - HB3 PHE 45 - HB3 ARG 91 lone 1 97 - 1 - HB2 PHE 45 - HB3 ARG 91 lone 1 94 - 1 - HB2 SER 9 - HD2 LYS 20 lone 1 60 - 2 - HB2 SER 9 - HD3 LYS 20 lone 1 47 - 2 - HB2 PHE 45 - HD2 LYS 20 lone 1 85 - 1 - HB3 PHE 45 - HD2 LYS 20 lone 1 88 - 1 - HE3 LYS 12 - HD2 LYS 20 lone 1 85 - 1 - HB3 PHE 45 - HD3 LYS 20 lone 1 73 - 1 - HB2 PHE 45 - HD3 LYS 20 lone 1 69 - 1 - HB2 SER 9 - HB3 ARG 91 lone 1 69 - 1 - HE3 LYS 24 - HD2 LYS 20 lone 1 77 - 1 - HE2 LYS 24 - HD2 LYS 20 lone 1 77 - 1 - HE3 LYS 12 - HD3 LYS 20 lone 1 69 - 1 - HE2 LYS 13 - HD2 LYS 20 lone 1 71 - 1 - HE3 LYS 13 - HD2 LYS 20 lone 0 64 - 1 - HE3 LYS 24 - HD3 LYS 20 lone 0 62 - 1 - HE2 LYS 24 - HD3 LYS 20 lone 0 62 - 1 - HE2 LYS 13 - HD3 LYS 20 lone 0 56 - 1 - HE3 LYS 13 - HD3 LYS 20 lone 0 50 - 1 - Peak 2199 from cnoeabs.peaks (2.97, 1.68, 29.28 ppm; 3.20 A): 4 out of 50 assignments used, quality = 1.00: HE2 LYS 47 + HD3 LYS 47 OK 100 100 - 100 - 3.0=100 * HE3 LYS 47 + HD3 LYS 47 OK 100 100 - 100 - 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 100 100 - 100 - 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 100 100 - 100 - 3.0=100 HE3 LYS 47 - HB3 ARG 91 OK 24 100 - 24 - 2205/1.8=2, 3.8/2174=2...(10) HE2 LYS 47 - HB3 ARG 91 OK 24 100 - 24 - 2205/1.8=2, 3.8/2174=2...(10) HE3 LYS 24 - HD2 LYS 47 OK 15 86 - 18 - 2176/3.0=2, 2155/3.9=1...(4) HE2 LYS 24 - HD2 LYS 47 OK 15 86 - 18 - 2176/3.0=2, 2155/3.9=1...(4) HE2 LYS 24 - HD3 LYS 47 OK 15 87 - 17 - 2177/3.0=2, 2155/3.9=1...(4) HE3 LYS 24 - HD3 LYS 47 OK 15 87 - 17 - 2177/3.0=2, 2155/3.9=1...(4) HE2 LYS 13 - HD3 LYS 47 OK 13 81 - 17 - 2177/3.0=2, 2154/3.9=1 HE2 LYS 13 - HD2 LYS 47 OK 13 80 - 17 - 2177/3.0=2, 2154/3.9=1 HE3 LYS 13 - HD3 LYS 47 OK 12 73 - 16 - 2177/3.0=2, ~2177=1, ~2176=1 HE3 LYS 13 - HD2 LYS 47 OK 12 73 - 16 - 2177/3.0=2, ~2177=1, ~2176=1 HE2 LYS 47 - HD2 LYS 20 lone 9 94 - 9 - 3.8/2174=1 HE3 LYS 47 - HD2 LYS 20 lone 9 94 - 9 - 3.8/2174=1 HE3 LYS 47 - HD3 LYS 20 lone 7 78 - 9 - 3.8/2174=1 HE2 LYS 47 - HD3 LYS 20 lone 7 78 - 9 - 3.8/2174=1 HB3 PHE 45 - HD3 LYS 47 lone 6 97 - 6 - HB3 PHE 45 - HD2 LYS 47 lone 6 97 - 6 - HB2 PHE 45 - HD3 LYS 47 lone 6 94 - 6 - HB2 PHE 45 - HD2 LYS 47 lone 5 94 - 6 - HB2 SER 9 - HD3 LYS 47 lone 5 70 - 8 - ~10615=2, ~10616=1 HB2 SER 9 - HD2 LYS 47 lone 5 69 - 8 - ~10615=2, ~10616=1 HE3 LYS 12 - HD2 LYS 47 lone 3 94 - 3 - HE3 LYS 12 - HD3 LYS 47 lone 3 94 - 3 - HE3 LYS 12 - HB3 ARG 91 lone 2 94 - 2 - HE2 LYS 13 - HB3 ARG 91 lone 2 80 - 2 - HE3 LYS 24 - HB3 ARG 91 lone 2 86 - 2 - HE2 LYS 24 - HB3 ARG 91 lone 2 86 - 2 - HE3 LYS 13 - HB3 ARG 91 lone 2 73 - 2 - HB3 PHE 45 - HB3 ARG 91 lone 1 97 - 1 - HB2 PHE 45 - HB3 ARG 91 lone 1 94 - 1 - HB2 SER 9 - HD2 LYS 20 lone 1 60 - 2 - HB2 SER 9 - HD3 LYS 20 lone 1 47 - 2 - HB2 PHE 45 - HD2 LYS 20 lone 1 85 - 1 - HB3 PHE 45 - HD2 LYS 20 lone 1 88 - 1 - HE3 LYS 12 - HD2 LYS 20 lone 1 85 - 1 - HB3 PHE 45 - HD3 LYS 20 lone 1 73 - 1 - HB2 PHE 45 - HD3 LYS 20 lone 1 69 - 1 - HB2 SER 9 - HB3 ARG 91 lone 1 69 - 1 - HE3 LYS 24 - HD2 LYS 20 lone 1 77 - 1 - HE2 LYS 24 - HD2 LYS 20 lone 1 77 - 1 - HE3 LYS 12 - HD3 LYS 20 lone 1 69 - 1 - HE2 LYS 13 - HD2 LYS 20 lone 1 71 - 1 - HE3 LYS 13 - HD2 LYS 20 lone 0 64 - 1 - HE3 LYS 24 - HD3 LYS 20 lone 0 62 - 1 - HE2 LYS 24 - HD3 LYS 20 lone 0 62 - 1 - HE2 LYS 13 - HD3 LYS 20 lone 0 56 - 1 - HE3 LYS 13 - HD3 LYS 20 lone 0 50 - 1 - Peak 2200 from cnoeabs.peaks (7.62, 1.68, 29.28 ppm; 5.78 A): 4 out of 25 assignments used, quality = 0.99: * H GLU 48 + HD3 LYS 47 OK 81 100 - 81 - 6785/3.0=27, 2144/3.9=20...(11) H GLU 48 + HD2 LYS 47 OK 81 100 - 81 - 6785/3.0=27, 2144/3.9=20...(11) H GLU 44 + HD3 LYS 47 OK 61 81 - 76 - 2178/3.0=13, ~10615=13...(19) H GLU 44 + HD2 LYS 47 OK 60 80 - 76 - 2178/3.0=13, ~10615=13...(19) H GLU 48 - HB3 ARG 91 OK 35 100 - 35 - 6780/3.9=7, 6784/1.8=6...(10) H GLU 48 - HD2 LYS 20 OK 22 94 - 23 - 3.6/2128=2, 6786=2...(10) HE22 GLN 50 - HD3 LYS 47 OK 19 96 - 19 - 2178/3.0=4, 2167/3.0=2...(8) HE22 GLN 50 - HD2 LYS 47 OK 18 95 - 19 - 2178/3.0=4, 2167/3.0=2...(8) H GLU 48 - HD3 LYS 20 OK 18 78 - 23 - 6786=2, 3.6/2128=2...(10) HD22 ASN 10 - HD3 LYS 47 OK 17 92 - 18 - 2178/3.0=3, 2167/3.0=2...(8) HD22 ASN 10 - HD2 LYS 47 OK 17 91 - 18 - 2178/3.0=3, 2167/3.0=2...(8) H LYS 40 - HD3 LYS 47 OK 16 70 - 22 - 4.6/6647=2, 2178/3.0=2...(9) H LYS 40 - HD2 LYS 47 OK 16 69 - 22 - 4.6/6647=2, 2178/3.0=2...(9) H GLU 44 - HB3 ARG 91 OK 16 80 - 19 - 4.6/10610=3, 3.6/4036=2...(7) H LYS 40 - HD2 LYS 20 OK 15 60 - 24 - 4.9/1820=2, 4.9/1809=2...(9) H LYS 40 - HB3 ARG 91 OK 12 69 - 17 - 4.9/1820=2, 4.9/1809=2...(6) H LYS 40 - HD3 LYS 20 OK 11 47 - 23 - 4.9/1820=2, 4.9/1809=2...(9) H GLU 44 - HD2 LYS 20 poor 9 71 - 13 - 8972/2.8=1, 8972/1.8=1 HD22 ASN 10 - HB3 ARG 91 lone 8 91 - 9 - ~12239=2, ~9965=1, ~9964=1 H GLU 44 - HD3 LYS 20 poor 7 56 - 12 - 8972/2.8=1, 8972/1.8=1 HD22 ASN 10 - HD2 LYS 20 lone 6 82 - 7 - HD22 ASN 10 - HD3 LYS 20 lone 5 67 - 7 - HE22 GLN 50 - HB3 ARG 91 lone 4 95 - 4 - HE22 GLN 50 - HD2 LYS 20 lone 4 87 - 5 - HE22 GLN 50 - HD3 LYS 20 lone 3 71 - 4 - Peak 2201 from cnoeabs.peaks (7.47, 2.97, 41.80 ppm; 5.24 A): 4 out of 18 assignments used, quality = 1.00: H LYS 47 + HE3 LYS 47 OK 93 100 - 93 - 6.6=49, 6773/3.8=30...(21) * H LYS 47 + HE2 LYS 47 OK 93 100 - 93 - 6.6=49, 6773/3.8=30...(21) H ARG 91 + HE3 LYS 47 OK 46 100 - 46 - 2168/3.8=11, 7442/3.8=9...(11) H ARG 91 + HE2 LYS 47 OK 46 100 - 46 - 2168/3.8=11, 7442/3.8=9...(11) HE ARG 46 - HE2 LYS 47 OK 32 100 - 32 - 2168/3.8=6, 4.5/10613=6...(11) HE ARG 46 - HE3 LYS 47 OK 32 100 - 32 - 2168/3.8=6, 4.5/10613=6...(11) HD22 ASN 26 - HE2 LYS 47 OK 11 99 - 11 - 2168/3.8=2, 2122/6.3=2...(5) HD22 ASN 26 - HE3 LYS 47 OK 11 99 - 11 - 2168/3.8=2, 2122/6.3=2...(5) H LYS 47 - HE3 LYS 12 poor 8 65 - 12 - 6777=1 H ARG 91 - HE3 LYS 12 poor 7 65 - 11 - 7436/4.0=2, 3989/3.0=2...(4) HE ARG 46 - HE3 LYS 12 lone 3 65 - 4 - HE ARG 19 - HE2 LYS 47 lone 2 57 - 4 - HE ARG 19 - HE3 LYS 47 lone 2 57 - 4 - HZ2 TRP 92 - HE2 LYS 47 lone 2 61 - 3 - HZ2 TRP 92 - HE3 LYS 47 lone 2 61 - 3 - HD22 ASN 26 - HE3 LYS 12 lone 1 64 - 2 - HZ2 TRP 92 - HE3 LYS 12 lone 1 33 - 2 - HE ARG 19 - HE3 LYS 12 lone 1 31 - 2 - Peak 2202 from cnoeabs.peaks (4.14, 2.97, 41.80 ppm; 3.95 A): 2 out of 24 assignments used, quality = 0.97: * HA LYS 47 + HE2 LYS 47 OK 84 100 - 84 - 6.3=25, 2127/3.8=18...(37) HA LYS 47 + HE3 LYS 47 OK 84 100 - 84 - 6.3=25, 2127/3.8=18...(37) HA LYS 13 - HE2 LYS 47 OK 29 90 - 33 - 2169/3.8=5, 486/3.8=2...(17) HA LYS 13 - HE3 LYS 47 OK 29 90 - 33 - 2169/3.8=5, 486/3.8=2...(17) HA LYS 13 - HE3 LYS 12 OK 21 53 - 39 - ~6171=6, 485/4.0=4...(21) HA GLN 72 - HE2 LYS 47 OK 12 90 - 14 - 2169/3.8=4, 2158/3.8=2...(4) HA GLN 72 - HE3 LYS 47 OK 12 90 - 14 - 2169/3.8=4, 2158/3.8=2...(4) HA MET 1 - HE3 LYS 47 OK 10 81 - 13 - 2169/3.8=2, 7/4.9=2...(6) HA MET 1 - HE2 LYS 47 OK 10 81 - 13 - 2169/3.8=2, 7/4.9=2...(6) HA GLU 23 - HE2 LYS 47 lone 8 100 - 8 - 2169/3.8=2 HA GLU 23 - HE3 LYS 47 lone 8 100 - 8 - 2169/3.8=2 HA LYS 47 - HE3 LYS 12 lone 5 65 - 7 - HB2 SER 59 - HE3 LYS 47 lone 2 77 - 2 - HB2 SER 59 - HE2 LYS 47 lone 2 77 - 2 - HA GLU 23 - HE3 LYS 12 lone 2 64 - 2 - HA GLN 72 - HE3 LYS 12 lone 1 53 - 3 - HA GLU 104 - HE3 LYS 47 lone 1 70 - 1 - HA GLU 104 - HE2 LYS 47 lone 1 70 - 1 - HA GLU 104 - HE3 LYS 12 lone 1 38 - 2 - HA GLU 99 - HE3 LYS 47 lone 1 57 - 1 - HA GLU 99 - HE2 LYS 47 lone 1 57 - 1 - HA MET 1 - HE3 LYS 12 lone 1 46 - 2 - HB2 SER 59 - HE3 LYS 12 lone 0 43 - 1 - HA GLU 99 - HE3 LYS 12 lone 0 31 - 1 - Peak 2203 from cnoeabs.peaks (1.97, 2.97, 41.80 ppm; 3.33 A): 2 out of 30 assignments used, quality = 0.97: * HB2 LYS 47 + HE2 LYS 47 OK 84 100 - 84 - 4.9=32, 3.0/2217=12...(45) HB2 LYS 47 + HE3 LYS 47 OK 84 100 - 84 - 4.9=32, 3.0/2217=12...(45) HB2 LYS 24 - HE2 LYS 47 OK 30 98 - 30 - ~12306=3, 2170/3.8=3...(7) HB2 LYS 24 - HE3 LYS 47 OK 30 98 - 30 - ~12306=3, 2170/3.8=3...(7) HB3 LYS 24 - HE2 LYS 47 OK 30 98 - 30 - ~12306=3, 2170/3.8=3...(7) HB3 LYS 24 - HE3 LYS 47 OK 30 98 - 30 - ~12306=3, 2170/3.8=3...(7) HB2 ARG 46 - HE3 LYS 47 OK 18 98 - 19 - 1.8/10613=3, ~10613=3...(7) HB2 ARG 46 - HE2 LYS 47 OK 18 98 - 19 - 1.8/10613=3, ~10613=3...(7) HB2 LYS 73 - HE3 LYS 47 OK 18 90 - 20 - 2170/3.8=2, 2.9/2216=1...(4) HB2 LYS 73 - HE2 LYS 47 OK 18 90 - 20 - 2170/3.8=2, 2.9/2216=1...(4) HB3 ARG 46 - HE2 LYS 47 OK 17 94 - 18 - 10613/1.8=2, 4.7/6777=2...(7) HB3 ARG 46 - HE3 LYS 47 OK 17 94 - 18 - 10613/1.8=2, 4.7/6777=2...(7) HB3 LYS 73 - HE3 LYS 47 OK 17 87 - 20 - 2170/3.8=2, 2.9/2216=1 HB3 LYS 73 - HE2 LYS 47 OK 17 87 - 20 - 2170/3.8=2, 2.9/2216=1 HB2 LYS 24 - HE3 LYS 12 OK 13 61 - 22 - ~464=2, ~434=2...(5) HB3 LYS 24 - HE3 LYS 12 OK 13 61 - 22 - ~464=2, ~434=2...(5) QE MET 1 - HE2 LYS 47 lone 5 96 - 6 - QE MET 1 - HE3 LYS 47 lone 5 96 - 6 - HB2 LYS 73 - HE3 LYS 12 lone 4 53 - 8 - ~434=1, ~464=1 HB3 LYS 73 - HE3 LYS 12 lone 4 50 - 8 - ~434=1, ~464=1 HB2 LYS 47 - HE3 LYS 12 lone 3 65 - 5 - HB2 GLU 37 - HE3 LYS 47 lone 3 94 - 3 - HB2 GLU 37 - HE2 LYS 47 lone 3 94 - 3 - HB3 MET 74 - HE2 LYS 47 lone 2 98 - 2 - HB3 MET 74 - HE3 LYS 47 lone 2 98 - 2 - HB2 ARG 46 - HE3 LYS 12 lone 2 61 - 2 - HB3 ARG 46 - HE3 LYS 12 lone 1 57 - 2 - HB3 MET 74 - HE3 LYS 12 lone 1 61 - 2 - QE MET 1 - HE3 LYS 12 lone 1 58 - 1 - HB2 GLU 37 - HE3 LYS 12 lone 0 57 - 1 - Peak 2204 from cnoeabs.peaks (1.92, 2.97, 41.80 ppm; 3.20 A): 2 out of 39 assignments used, quality = 0.96: HB3 LYS 47 + HE3 LYS 47 OK 80 100 - 80 - 4.9=28, 3.0/2217=11...(42) * HB3 LYS 47 + HE2 LYS 47 OK 80 100 - 80 - 4.9=28, 3.0/2217=11...(42) HB2 LYS 13 - HE2 LYS 47 OK 25 96 - 27 - 2171/3.8=2, 3.0/2213=2...(6) HB2 LYS 13 - HE3 LYS 47 OK 25 96 - 27 - 2171/3.8=2, 3.0/2213=2...(6) HB3 LYS 13 - HE3 LYS 47 OK 25 92 - 27 - 2171/3.8=2, 3.0/2202=2...(6) HB3 LYS 13 - HE2 LYS 47 OK 25 92 - 27 - 2171/3.8=2, 3.0/2202=2...(6) HB2 LYS 94 - HE2 LYS 47 OK 19 100 - 19 - 2171/3.8=4, 2150/3.8=2...(9) HB2 LYS 94 - HE3 LYS 47 OK 19 100 - 19 - 2171/3.8=4, 2150/3.8=2...(9) HB2 LYS 13 - HE3 LYS 12 OK 15 58 - 25 - ~463=2, 4.0/6172=1...(8) HB3 LYS 13 - HE3 LYS 12 OK 14 55 - 25 - ~463=2, 4.0/6172=1...(8) HB3 LYS 20 - HE2 LYS 47 OK 12 92 - 12 - 2171/3.8=1, 877/3.0=1, 877/3.0=1 HB3 LYS 20 - HE3 LYS 47 OK 12 92 - 12 - 2171/3.8=1, 877/3.0=1, 877/3.0=1 HB2 LYS 33 - HE3 LYS 12 lone 5 60 - 7 - HB2 MET 1 - HE3 LYS 47 lone 4 70 - 6 - 14/4.9=1, 2171/3.8=1 HB2 MET 1 - HE2 LYS 47 lone 4 70 - 6 - 14/4.9=1, 2171/3.8=1 HB3 LYS 33 - HE3 LYS 12 lone 4 57 - 7 - HB2 LYS 33 - HE3 LYS 47 lone 4 97 - 4 - HB2 LYS 33 - HE2 LYS 47 lone 4 97 - 4 - HB3 LYS 33 - HE3 LYS 47 lone 4 94 - 4 - HB3 LYS 33 - HE2 LYS 47 lone 4 94 - 4 - HB2 GLU 43 - HE3 LYS 47 lone 4 65 - 6 - 4.4/8976=2 HB2 GLU 43 - HE2 LYS 47 lone 4 65 - 6 - 4.4/8976=2 HB3 LYS 47 - HE3 LYS 12 lone 3 65 - 5 - HB2 LYS 94 - HE3 LYS 12 lone 2 65 - 3 - HB3 ARG 19 - HE3 LYS 47 lone 2 99 - 2 - HB3 ARG 19 - HE2 LYS 47 lone 2 99 - 2 - HB2 GLU 17 - HE3 LYS 47 lone 1 70 - 2 - HB2 GLU 17 - HE2 LYS 47 lone 1 70 - 2 - HB2 GLU 17 - HE3 LYS 12 lone 1 38 - 4 - HG3 GLU 88 - HE3 LYS 47 lone 1 61 - 1 - HG3 GLU 88 - HE2 LYS 47 lone 1 61 - 1 - HB VAL 32 - HE2 LYS 47 lone 1 73 - 1 - HB VAL 32 - HE3 LYS 47 lone 1 73 - 1 - HB3 ARG 19 - HE3 LYS 12 lone 1 63 - 1 - HB3 LYS 20 - HE3 LYS 12 lone 0 55 - 1 - HB2 MET 1 - HE3 LYS 12 lone 0 38 - 1 - HB2 GLU 43 - HE3 LYS 12 lone 0 36 - 1 - HB VAL 32 - HE3 LYS 12 lone 0 41 - 0 - HG3 GLU 88 - HE3 LYS 12 lone 0 33 - 1 - Peak 2205 from cnoeabs.peaks (1.49, 2.97, 41.80 ppm; 2.92 A): 2 out of 33 assignments used, quality = 0.97: * HG2 LYS 47 + HE2 LYS 47 OK 82 100 - 82 - 3.8=47, 1.8/2206=13...(29) HG2 LYS 47 + HE3 LYS 47 OK 82 100 - 82 - 3.8=47, 1.8/2206=13...(29) HB2 ARG 91 - HE3 LYS 47 OK 22 99 - 23 - 4028/3.0=3, 4028/3.0=3...(6) HB2 ARG 91 - HE2 LYS 47 OK 22 99 - 23 - 4028/3.0=3, 4028/3.0=3...(6) HG3 LYS 13 - HE2 LYS 47 OK 20 98 - 21 - 2172/3.8=2, 3.0/2204=1...(6) HG3 LYS 13 - HE3 LYS 47 OK 20 98 - 21 - 2172/3.8=2, 3.0/2204=1...(6) HG2 LYS 73 - HE3 LYS 47 OK 15 100 - 15 - 2162/3.8=2, 2166=1 HG2 LYS 73 - HE2 LYS 47 OK 15 100 - 15 - 2162/3.8=2, 2166=1 HG3 LYS 13 - HE3 LYS 12 OK 14 61 - 23 - ~463=3, 535/3.0=1...(10) HG3 LYS 24 - HE3 LYS 47 OK 12 70 - 17 - 3.7/12306=1, 2.9/2214=1...(4) HG3 LYS 24 - HE2 LYS 47 OK 12 70 - 17 - 3.7/12306=1, 2.9/2214=1...(4) HG2 LYS 66 - HE3 LYS 12 poor 10 65 - 15 - 3275/4.0=1, 2926/3.0=1...(4) HG3 LYS 66 - HE3 LYS 12 poor 10 65 - 15 - 3275/4.0=1, 2926/3.0=1...(4) HG3 LYS 24 - HE3 LYS 12 poor 7 38 - 19 - ~464=3, ~434=2, 1465/1.8=1 HG2 LYS 73 - HE3 LYS 12 lone 5 65 - 8 - ~464=1, ~434=1 HG3 LYS 33 - HE3 LYS 12 lone 3 48 - 6 - HG2 LYS 47 - HE3 LYS 12 lone 3 65 - 4 - HG3 LYS 33 - HE2 LYS 47 lone 3 84 - 3 - HG3 LYS 33 - HE3 LYS 47 lone 3 84 - 3 - HG2 LYS 66 - HE2 LYS 47 lone 2 100 - 2 - HG2 LYS 66 - HE3 LYS 47 lone 2 100 - 2 - HG3 LYS 66 - HE2 LYS 47 lone 2 100 - 2 - HG3 LYS 66 - HE3 LYS 47 lone 2 100 - 2 - HB3 LEU 64 - HE3 LYS 47 lone 2 100 - 1 - HB3 LEU 64 - HE2 LYS 47 lone 2 100 - 1 - HB2 ARG 91 - HE3 LYS 12 lone 1 63 - 2 - HG LEU 57 - HE3 LYS 47 lone 1 92 - 1 - HG LEU 57 - HE2 LYS 47 lone 1 92 - 1 - HG LEU 64 - HE2 LYS 47 lone 1 90 - 1 - HG LEU 64 - HE3 LYS 47 lone 1 90 - 1 - HB3 LEU 64 - HE3 LYS 12 lone 0 65 - 1 - HG LEU 57 - HE3 LYS 12 lone 0 55 - 1 - HG LEU 64 - HE3 LYS 12 lone 0 53 - 0 - Peak 2206 from cnoeabs.peaks (1.62, 2.97, 41.80 ppm; 2.88 A): 2 out of 15 assignments used, quality = 0.96: * HG3 LYS 47 + HE2 LYS 47 OK 80 100 - 80 - 3.8=45, 2174/3.0=7...(33) HG3 LYS 47 + HE3 LYS 47 OK 80 100 - 80 - 3.8=45, 2174/3.0=7...(33) HD2 LYS 94 - HE3 LYS 47 OK 17 100 - 18 - 2162/3.8=3, 2139/4.9=2...(7) HD2 LYS 94 - HE2 LYS 47 OK 17 100 - 18 - 2162/3.8=3, 2139/4.9=2...(7) HG3 LYS 47 - HE3 LYS 12 lone 3 65 - 4 - HD2 LYS 94 - HE3 LYS 12 lone 1 65 - 2 - HD3 LYS 39 - HE3 LYS 12 lone 1 33 - 4 - HG2 LYS 68 - HE3 LYS 12 lone 1 31 - 3 - HD3 LYS 39 - HE2 LYS 47 lone 1 61 - 1 - HD3 LYS 39 - HE3 LYS 47 lone 1 61 - 1 - HG2 LYS 68 - HE3 LYS 47 lone 0 57 - 1 - HG2 LYS 68 - HE2 LYS 47 lone 0 57 - 1 - HB2 ARG 30 - HE3 LYS 47 lone 0 61 - 1 - HB2 ARG 30 - HE2 LYS 47 lone 0 61 - 1 - HB2 ARG 30 - HE3 LYS 12 lone 0 33 - 0 - Peak 2207 from cnoeabs.peaks (1.68, 2.97, 41.80 ppm; 2.48 A): 4 out of 51 assignments used, quality = 0.99: HD2 LYS 47 + HE3 LYS 47 OK 72 100 - 72 - 3.0=58, 3.0/2217=6...(16) * HD2 LYS 47 + HE2 LYS 47 OK 72 100 - 72 - 3.0=58, 3.0/2217=6...(16) HD3 LYS 47 + HE3 LYS 47 OK 72 100 - 72 - 3.0=58, 3.0/2206=6...(16) HD3 LYS 47 + HE2 LYS 47 OK 72 100 - 72 - 3.0=58, 3.0/2206=6...(16) HB3 ARG 91 - HE3 LYS 47 OK 13 100 - 13 - 1.8/2205=1, 2174/3.8=1 HB3 ARG 91 - HE2 LYS 47 OK 13 100 - 13 - 1.8/2205=1, 2174/3.8=1 HG3 LYS 20 - HE2 LYS 47 lone 6 98 - 6 - HG3 LYS 20 - HE3 LYS 47 lone 6 98 - 6 - HD2 LYS 24 - HE2 LYS 47 lone 6 77 - 8 - HD2 LYS 24 - HE3 LYS 47 lone 6 77 - 8 - HD3 LYS 24 - HE2 LYS 47 lone 6 73 - 8 - HD3 LYS 24 - HE3 LYS 47 lone 6 73 - 8 - HD2 LYS 24 - HE3 LYS 12 poor 6 43 - 13 - ~464=1 HD2 LYS 73 - HE3 LYS 47 lone 5 84 - 6 - HD2 LYS 73 - HE2 LYS 47 lone 5 84 - 6 - HD3 LYS 24 - HE3 LYS 12 poor 5 41 - 13 - ~464=1 HG12 ILE 15 - HE3 LYS 12 poor 5 48 - 10 - ~8445=2, ~10392=2, ~8444=1 HD3 LYS 73 - HE2 LYS 47 lone 5 77 - 6 - HD3 LYS 73 - HE3 LYS 47 lone 5 77 - 6 - HD2 LYS 20 - HE2 LYS 47 lone 5 100 - 5 - HD2 LYS 20 - HE3 LYS 47 lone 5 100 - 5 - HD3 LYS 20 - HE2 LYS 47 lone 5 98 - 5 - HD3 LYS 20 - HE3 LYS 47 lone 5 98 - 5 - HB ILE 52 - HE2 LYS 47 lone 3 92 - 4 - HB ILE 52 - HE3 LYS 47 lone 3 92 - 4 - HB ILE 52 - HE3 LYS 12 lone 2 55 - 3 - HD3 LYS 90 - HE3 LYS 12 lone 2 41 - 4 - HG2 PRO 86 - HE2 LYS 47 lone 1 87 - 2 - HG2 PRO 86 - HE3 LYS 47 lone 1 87 - 2 - HD2 LYS 73 - HE3 LYS 12 lone 1 48 - 3 - HB3 LYS 40 - HE3 LYS 47 lone 1 100 - 1 - HB3 LYS 40 - HE2 LYS 47 lone 1 100 - 1 - HD3 LYS 73 - HE3 LYS 12 lone 1 43 - 3 - HD2 LYS 47 - HE3 LYS 12 lone 1 65 - 2 - HG12 ILE 15 - HE3 LYS 47 lone 1 84 - 1 - HG12 ILE 15 - HE2 LYS 47 lone 1 84 - 1 - HD3 LYS 47 - HE3 LYS 12 lone 1 65 - 2 - HB3 LYS 40 - HE3 LYS 12 lone 1 64 - 2 - HB3 LYS 53 - HE2 LYS 47 lone 1 99 - 1 - HB3 LYS 53 - HE3 LYS 47 lone 1 99 - 1 - HB3 ARG 91 - HE3 LYS 12 lone 1 65 - 1 - HD3 LYS 90 - HE2 LYS 47 lone 1 73 - 1 - HD3 LYS 90 - HE3 LYS 47 lone 1 73 - 1 - HG2 PRO 86 - HE3 LYS 12 lone 0 50 - 1 - HB3 LYS 53 - HE3 LYS 12 lone 0 63 - 1 - HG LEU 70 - HE3 LYS 12 lone 0 36 - 1 - HG LEU 70 - HE3 LYS 47 lone 0 65 - 0 - HG LEU 70 - HE2 LYS 47 lone 0 65 - 0 - HG3 LYS 20 - HE3 LYS 12 lone 0 61 - 0 - HD2 LYS 20 - HE3 LYS 12 lone 0 64 - 0 - HD3 LYS 20 - HE3 LYS 12 lone 0 61 - 0 - Peak 2208 from cnoeabs.peaks (1.68, 2.97, 41.80 ppm; 2.48 A): 4 out of 60 assignments used, quality = 0.99: * HD3 LYS 47 + HE2 LYS 47 OK 72 100 - 72 - 3.0=58, 3.0/2206=6...(16) HD3 LYS 47 + HE3 LYS 47 OK 72 100 - 72 - 3.0=58, 3.0/2206=6...(16) HD2 LYS 47 + HE2 LYS 47 OK 72 100 - 72 - 3.0=58, 3.0/2206=6...(16) HD2 LYS 47 + HE3 LYS 47 OK 72 100 - 72 - 3.0=58, 3.0/2206=6...(16) HD2 LYS 12 - HE3 LYS 12 OK 23 33 - 70 - 3.0=58, ~423=4, ~466=4...(11) HD3 LYS 12 - HE3 LYS 12 OK 23 33 - 70 - 3.0=58, ~423=4, ~466=4...(11) HB3 ARG 91 - HE3 LYS 47 OK 13 100 - 13 - 1.8/2216=1, 2174/3.8=1 HB3 ARG 91 - HE2 LYS 47 OK 13 100 - 13 - 1.8/2216=1, 2174/3.8=1 HD2 LYS 24 - HE3 LYS 47 lone 6 81 - 8 - HD2 LYS 24 - HE2 LYS 47 lone 6 81 - 8 - HG3 LYS 20 - HE2 LYS 47 lone 6 97 - 6 - HG3 LYS 20 - HE3 LYS 47 lone 6 97 - 6 - HD2 LYS 24 - HE3 LYS 12 poor 6 46 - 13 - ~464=1 HD3 LYS 24 - HE2 LYS 47 lone 6 77 - 8 - HD3 LYS 24 - HE3 LYS 47 lone 6 77 - 8 - HD3 LYS 24 - HE3 LYS 12 poor 6 43 - 13 - ~464=1 HD2 LYS 13 - HE3 LYS 47 lone 6 61 - 9 - HD2 LYS 13 - HE2 LYS 47 lone 6 61 - 9 - HG12 ILE 15 - HE3 LYS 12 poor 5 50 - 11 - ~8445=2, ~10392=2, ~8444=1 HD2 LYS 73 - HE3 LYS 47 lone 5 81 - 6 - HD2 LYS 73 - HE2 LYS 47 lone 5 81 - 6 - HD2 LYS 20 - HE3 LYS 47 lone 5 99 - 5 - HD2 LYS 20 - HE2 LYS 47 lone 5 99 - 5 - HD2 LYS 13 - HE3 LYS 12 poor 5 33 - 14 - ~463=1, ~466=1, ~465=1 HD3 LYS 20 - HE3 LYS 47 lone 4 97 - 5 - HD3 LYS 20 - HE2 LYS 47 lone 4 97 - 5 - HD3 LYS 73 - HE2 LYS 47 lone 4 73 - 6 - HD3 LYS 73 - HE3 LYS 47 lone 4 73 - 6 - HB ILE 52 - HE3 LYS 47 lone 3 90 - 4 - HB ILE 52 - HE2 LYS 47 lone 3 90 - 4 - HD3 LYS 90 - HE3 LYS 12 lone 2 43 - 4 - HD2 LYS 12 - HE2 LYS 47 lone 2 61 - 2 - HD2 LYS 12 - HE3 LYS 47 lone 2 61 - 2 - HD3 LYS 12 - HE3 LYS 47 lone 2 61 - 2 - HD3 LYS 12 - HE2 LYS 47 lone 2 61 - 2 - HG2 PRO 86 - HE3 LYS 47 lone 1 90 - 2 - HG2 PRO 86 - HE2 LYS 47 lone 1 90 - 2 - HB ILE 52 - HE3 LYS 12 lone 2 53 - 3 - HB3 LYS 40 - HE2 LYS 47 lone 1 100 - 1 - HB3 LYS 40 - HE3 LYS 47 lone 1 100 - 1 - HD2 LYS 73 - HE3 LYS 12 lone 1 46 - 3 - HD2 LYS 47 - HE3 LYS 12 lone 1 65 - 2 - HG12 ILE 15 - HE2 LYS 47 lone 1 87 - 1 - HG12 ILE 15 - HE3 LYS 47 lone 1 87 - 1 - HD3 LYS 73 - HE3 LYS 12 lone 1 41 - 3 - HD3 LYS 47 - HE3 LYS 12 lone 1 65 - 2 - HB3 LYS 40 - HE3 LYS 12 lone 1 65 - 2 - HB3 LYS 53 - HE2 LYS 47 lone 1 99 - 1 - HB3 LYS 53 - HE3 LYS 47 lone 1 99 - 1 - HB3 ARG 91 - HE3 LYS 12 lone 1 65 - 1 - HD3 LYS 90 - HE3 LYS 47 lone 1 77 - 1 - HD3 LYS 90 - HE2 LYS 47 lone 1 77 - 1 - HG2 PRO 86 - HE3 LYS 12 lone 0 53 - 1 - HG LEU 70 - HE2 LYS 47 lone 0 70 - 1 - HG LEU 70 - HE3 LYS 47 lone 0 70 - 1 - HG LEU 70 - HE3 LYS 12 lone 0 38 - 1 - HB3 LYS 53 - HE3 LYS 12 lone 0 64 - 1 - HG3 LYS 20 - HE3 LYS 12 lone 0 60 - 0 - HD2 LYS 20 - HE3 LYS 12 lone 0 64 - 0 - HD3 LYS 20 - HE3 LYS 12 lone 0 60 - 0 - Peak 2209 from cnoeabs.peaks (2.97, 2.97, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 47 + HE3 LYS 47 OK 100 100 - 100 * HE2 LYS 47 + HE2 LYS 47 OK 100 100 - 100 HE3 LYS 12 + HE3 LYS 12 OK 57 57 - 100 Peak 2210 from cnoeabs.peaks (2.97, 2.97, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 47 + HE3 LYS 47 OK 100 100 - 100 HE2 LYS 47 + HE2 LYS 47 OK 100 100 - 100 HE3 LYS 12 + HE3 LYS 12 OK 57 57 - 100 Reference assignment not found: HE3 LYS 47 - HE2 LYS 47 Peak 2211 from cnoeabs.peaks (7.62, 2.97, 41.80 ppm; 5.02 A): 4 out of 15 assignments used, quality = 0.98: * H GLU 48 + HE2 LYS 47 OK 71 100 - 71 - 6785/3.8=19, 2144/4.9=14...(11) H GLU 48 + HE3 LYS 47 OK 71 100 - 71 - 6785/3.8=19, 2144/4.9=14...(11) H GLU 44 + HE2 LYS 47 OK 49 81 - 62 - 2178/3.8=9, 3.0/8977=8...(15) H GLU 44 + HE3 LYS 47 OK 49 81 - 62 - 2178/3.8=9, 3.0/8977=8...(15) HE22 GLN 50 - HE3 LYS 47 OK 12 96 - 12 - 2178/3.8=3, 2167/3.8=2...(6) HE22 GLN 50 - HE2 LYS 47 OK 12 96 - 12 - 2178/3.8=3, 2167/3.8=2...(6) HD22 ASN 10 - HE3 LYS 47 OK 12 92 - 12 - 2178/3.8=2, 2167/3.8=2...(6) HD22 ASN 10 - HE2 LYS 47 OK 12 92 - 12 - 2178/3.8=2, 2167/3.8=2...(6) H LYS 40 - HE2 LYS 47 poor 7 70 - 10 - 2178/3.8=2, 2167/3.8=1 H LYS 40 - HE3 LYS 47 poor 7 70 - 10 - 2178/3.8=2, 2167/3.8=1 H LYS 40 - HE3 LYS 12 poor 7 38 - 18 - 6621/4.8=3, 6621/4.8=3...(7) H GLU 48 - HE3 LYS 12 lone 6 65 - 9 - 10622/6.3=1, 6788=1 H GLU 44 - HE3 LYS 12 lone 2 46 - 5 - HE22 GLN 50 - HE3 LYS 12 lone 2 58 - 3 - HD22 ASN 10 - HE3 LYS 12 lone 1 55 - 1 - Peak 2212 from cnoeabs.peaks (7.47, 2.97, 41.80 ppm; 5.24 A): 4 out of 18 assignments used, quality = 1.00: * H LYS 47 + HE3 LYS 47 OK 93 100 - 93 - 6.6=49, 6773/3.8=30...(21) H LYS 47 + HE2 LYS 47 OK 93 100 - 93 - 6.6=49, 6773/3.8=30...(21) H ARG 91 + HE3 LYS 47 OK 46 100 - 46 - 2168/3.8=11, 7442/3.8=9...(11) H ARG 91 + HE2 LYS 47 OK 46 100 - 46 - 2168/3.8=11, 7442/3.8=9...(11) HE ARG 46 - HE2 LYS 47 OK 32 100 - 32 - 2168/3.8=6, 4.5/10613=6...(11) HE ARG 46 - HE3 LYS 47 OK 32 100 - 32 - 2168/3.8=6, 4.5/10613=6...(11) HD22 ASN 26 - HE2 LYS 47 OK 11 99 - 11 - 2168/3.8=2, 2122/6.3=2...(5) HD22 ASN 26 - HE3 LYS 47 OK 11 99 - 11 - 2168/3.8=2, 2122/6.3=2...(5) H LYS 47 - HE3 LYS 12 poor 8 65 - 12 - 6777=1 H ARG 91 - HE3 LYS 12 poor 7 65 - 11 - 7436/4.0=2, 3989/3.0=2...(4) HE ARG 46 - HE3 LYS 12 lone 3 65 - 4 - HE ARG 19 - HE2 LYS 47 lone 2 57 - 4 - HE ARG 19 - HE3 LYS 47 lone 2 57 - 4 - HZ2 TRP 92 - HE2 LYS 47 lone 2 61 - 3 - HZ2 TRP 92 - HE3 LYS 47 lone 2 61 - 3 - HD22 ASN 26 - HE3 LYS 12 lone 1 64 - 2 - HZ2 TRP 92 - HE3 LYS 12 lone 1 33 - 2 - HE ARG 19 - HE3 LYS 12 lone 1 31 - 2 - Peak 2213 from cnoeabs.peaks (4.14, 2.97, 41.80 ppm; 3.95 A): 2 out of 24 assignments used, quality = 0.97: HA LYS 47 + HE2 LYS 47 OK 84 100 - 84 - 6.3=25, 2127/3.8=18...(37) * HA LYS 47 + HE3 LYS 47 OK 84 100 - 84 - 6.3=25, 2127/3.8=18...(37) HA LYS 13 - HE2 LYS 47 OK 29 90 - 33 - 2169/3.8=5, 486/3.8=2...(17) HA LYS 13 - HE3 LYS 47 OK 29 90 - 33 - 2169/3.8=5, 486/3.8=2...(17) HA LYS 13 - HE3 LYS 12 OK 21 53 - 39 - ~6171=6, 485/4.0=4...(21) HA GLN 72 - HE2 LYS 47 OK 12 90 - 14 - 2169/3.8=4, 2158/3.8=2...(4) HA GLN 72 - HE3 LYS 47 OK 12 90 - 14 - 2169/3.8=4, 2158/3.8=2...(4) HA MET 1 - HE3 LYS 47 OK 10 81 - 13 - 2169/3.8=2, 7/4.9=2...(6) HA MET 1 - HE2 LYS 47 OK 10 81 - 13 - 2169/3.8=2, 7/4.9=2...(6) HA GLU 23 - HE2 LYS 47 lone 8 100 - 8 - 2169/3.8=2 HA GLU 23 - HE3 LYS 47 lone 8 100 - 8 - 2169/3.8=2 HA LYS 47 - HE3 LYS 12 lone 5 65 - 7 - HB2 SER 59 - HE3 LYS 47 lone 2 77 - 2 - HB2 SER 59 - HE2 LYS 47 lone 2 77 - 2 - HA GLU 23 - HE3 LYS 12 lone 2 64 - 2 - HA GLN 72 - HE3 LYS 12 lone 1 53 - 3 - HA GLU 104 - HE3 LYS 47 lone 1 70 - 1 - HA GLU 104 - HE2 LYS 47 lone 1 70 - 1 - HA GLU 104 - HE3 LYS 12 lone 1 38 - 2 - HA GLU 99 - HE3 LYS 47 lone 1 57 - 1 - HA GLU 99 - HE2 LYS 47 lone 1 57 - 1 - HA MET 1 - HE3 LYS 12 lone 1 46 - 2 - HB2 SER 59 - HE3 LYS 12 lone 0 43 - 1 - HA GLU 99 - HE3 LYS 12 lone 0 31 - 1 - Peak 2214 from cnoeabs.peaks (1.97, 2.97, 41.80 ppm; 3.33 A): 2 out of 30 assignments used, quality = 0.97: HB2 LYS 47 + HE2 LYS 47 OK 84 100 - 84 - 4.9=32, 3.0/2217=12...(45) * HB2 LYS 47 + HE3 LYS 47 OK 84 100 - 84 - 4.9=32, 3.0/2217=12...(45) HB2 LYS 24 - HE2 LYS 47 OK 30 98 - 30 - ~12306=3, 2170/3.8=3...(7) HB2 LYS 24 - HE3 LYS 47 OK 30 98 - 30 - ~12306=3, 2170/3.8=3...(7) HB3 LYS 24 - HE2 LYS 47 OK 30 98 - 30 - ~12306=3, 2170/3.8=3...(7) HB3 LYS 24 - HE3 LYS 47 OK 30 98 - 30 - ~12306=3, 2170/3.8=3...(7) HB2 ARG 46 - HE3 LYS 47 OK 18 98 - 19 - 1.8/10613=3, ~10613=3...(7) HB2 ARG 46 - HE2 LYS 47 OK 18 98 - 19 - 1.8/10613=3, ~10613=3...(7) HB2 LYS 73 - HE3 LYS 47 OK 18 90 - 20 - 2170/3.8=2, 2.9/2216=1...(4) HB2 LYS 73 - HE2 LYS 47 OK 18 90 - 20 - 2170/3.8=2, 2.9/2216=1...(4) HB3 ARG 46 - HE2 LYS 47 OK 17 94 - 18 - 10613/1.8=2, 4.7/6777=2...(7) HB3 ARG 46 - HE3 LYS 47 OK 17 94 - 18 - 10613/1.8=2, 4.7/6777=2...(7) HB3 LYS 73 - HE3 LYS 47 OK 17 87 - 20 - 2170/3.8=2, 2.9/2216=1 HB3 LYS 73 - HE2 LYS 47 OK 17 87 - 20 - 2170/3.8=2, 2.9/2216=1 HB2 LYS 24 - HE3 LYS 12 OK 13 61 - 22 - ~464=2, ~434=2...(5) HB3 LYS 24 - HE3 LYS 12 OK 13 61 - 22 - ~464=2, ~434=2...(5) QE MET 1 - HE2 LYS 47 lone 5 96 - 6 - QE MET 1 - HE3 LYS 47 lone 5 96 - 6 - HB2 LYS 73 - HE3 LYS 12 lone 4 53 - 8 - ~434=1, ~464=1 HB3 LYS 73 - HE3 LYS 12 lone 4 50 - 8 - ~434=1, ~464=1 HB2 LYS 47 - HE3 LYS 12 lone 3 65 - 5 - HB2 GLU 37 - HE3 LYS 47 lone 3 94 - 3 - HB2 GLU 37 - HE2 LYS 47 lone 3 94 - 3 - HB3 MET 74 - HE2 LYS 47 lone 2 98 - 2 - HB3 MET 74 - HE3 LYS 47 lone 2 98 - 2 - HB2 ARG 46 - HE3 LYS 12 lone 2 61 - 2 - HB3 ARG 46 - HE3 LYS 12 lone 1 57 - 2 - HB3 MET 74 - HE3 LYS 12 lone 1 61 - 2 - QE MET 1 - HE3 LYS 12 lone 1 58 - 1 - HB2 GLU 37 - HE3 LYS 12 lone 0 57 - 1 - Peak 2215 from cnoeabs.peaks (1.92, 2.97, 41.80 ppm; 3.20 A): 2 out of 39 assignments used, quality = 0.96: * HB3 LYS 47 + HE3 LYS 47 OK 80 100 - 80 - 4.9=28, 3.0/2217=11...(42) HB3 LYS 47 + HE2 LYS 47 OK 80 100 - 80 - 4.9=28, 3.0/2217=11...(42) HB2 LYS 13 - HE2 LYS 47 OK 25 96 - 27 - 2171/3.8=2, 3.0/2213=2...(6) HB2 LYS 13 - HE3 LYS 47 OK 25 96 - 27 - 2171/3.8=2, 3.0/2213=2...(6) HB3 LYS 13 - HE3 LYS 47 OK 25 92 - 27 - 2171/3.8=2, 3.0/2202=2...(6) HB3 LYS 13 - HE2 LYS 47 OK 25 92 - 27 - 2171/3.8=2, 3.0/2202=2...(6) HB2 LYS 94 - HE2 LYS 47 OK 19 100 - 19 - 2171/3.8=4, 2150/3.8=2...(9) HB2 LYS 94 - HE3 LYS 47 OK 19 100 - 19 - 2171/3.8=4, 2150/3.8=2...(9) HB2 LYS 13 - HE3 LYS 12 OK 15 58 - 25 - ~463=2, 4.0/6172=1...(8) HB3 LYS 13 - HE3 LYS 12 OK 14 55 - 25 - ~463=2, 4.0/6172=1...(8) HB3 LYS 20 - HE2 LYS 47 OK 12 92 - 12 - 2171/3.8=1, 877/3.0=1, 877/3.0=1 HB3 LYS 20 - HE3 LYS 47 OK 12 92 - 12 - 2171/3.8=1, 877/3.0=1, 877/3.0=1 HB2 LYS 33 - HE3 LYS 12 lone 5 60 - 7 - HB2 MET 1 - HE3 LYS 47 lone 4 70 - 6 - 14/4.9=1, 2171/3.8=1 HB2 MET 1 - HE2 LYS 47 lone 4 70 - 6 - 14/4.9=1, 2171/3.8=1 HB3 LYS 33 - HE3 LYS 12 lone 4 57 - 7 - HB2 LYS 33 - HE3 LYS 47 lone 4 97 - 4 - HB2 LYS 33 - HE2 LYS 47 lone 4 97 - 4 - HB3 LYS 33 - HE3 LYS 47 lone 4 94 - 4 - HB3 LYS 33 - HE2 LYS 47 lone 4 94 - 4 - HB2 GLU 43 - HE3 LYS 47 lone 4 65 - 6 - 4.4/8976=2 HB2 GLU 43 - HE2 LYS 47 lone 4 65 - 6 - 4.4/8976=2 HB3 LYS 47 - HE3 LYS 12 lone 3 65 - 5 - HB2 LYS 94 - HE3 LYS 12 lone 2 65 - 3 - HB3 ARG 19 - HE3 LYS 47 lone 2 99 - 2 - HB3 ARG 19 - HE2 LYS 47 lone 2 99 - 2 - HB2 GLU 17 - HE3 LYS 47 lone 1 70 - 2 - HB2 GLU 17 - HE2 LYS 47 lone 1 70 - 2 - HB2 GLU 17 - HE3 LYS 12 lone 1 38 - 4 - HG3 GLU 88 - HE3 LYS 47 lone 1 61 - 1 - HG3 GLU 88 - HE2 LYS 47 lone 1 61 - 1 - HB VAL 32 - HE2 LYS 47 lone 1 73 - 1 - HB VAL 32 - HE3 LYS 47 lone 1 73 - 1 - HB3 ARG 19 - HE3 LYS 12 lone 1 63 - 1 - HB3 LYS 20 - HE3 LYS 12 lone 0 55 - 1 - HB2 MET 1 - HE3 LYS 12 lone 0 38 - 1 - HB2 GLU 43 - HE3 LYS 12 lone 0 36 - 1 - HB VAL 32 - HE3 LYS 12 lone 0 41 - 0 - HG3 GLU 88 - HE3 LYS 12 lone 0 33 - 1 - Peak 2216 from cnoeabs.peaks (1.49, 2.97, 41.80 ppm; 2.92 A): 2 out of 33 assignments used, quality = 0.97: HG2 LYS 47 + HE2 LYS 47 OK 82 100 - 82 - 3.8=47, 1.8/2206=13...(29) * HG2 LYS 47 + HE3 LYS 47 OK 82 100 - 82 - 3.8=47, 1.8/2206=13...(29) HB2 ARG 91 - HE3 LYS 47 OK 22 99 - 23 - 4028/3.0=3, 4028/3.0=3...(6) HB2 ARG 91 - HE2 LYS 47 OK 22 99 - 23 - 4028/3.0=3, 4028/3.0=3...(6) HG3 LYS 13 - HE2 LYS 47 OK 20 98 - 21 - 2172/3.8=2, 3.0/2204=1...(6) HG3 LYS 13 - HE3 LYS 47 OK 20 98 - 21 - 2172/3.8=2, 3.0/2204=1...(6) HG2 LYS 73 - HE3 LYS 47 OK 15 100 - 15 - 2162/3.8=2, 2166=1 HG2 LYS 73 - HE2 LYS 47 OK 15 100 - 15 - 2162/3.8=2, 2166=1 HG3 LYS 13 - HE3 LYS 12 OK 14 61 - 23 - ~463=3, 535/3.0=1...(10) HG3 LYS 24 - HE3 LYS 47 OK 12 70 - 17 - 3.7/12306=1, 2.9/2214=1...(4) HG3 LYS 24 - HE2 LYS 47 OK 12 70 - 17 - 3.7/12306=1, 2.9/2214=1...(4) HG2 LYS 66 - HE3 LYS 12 poor 10 65 - 15 - 3275/4.0=1, 2926/3.0=1...(4) HG3 LYS 66 - HE3 LYS 12 poor 10 65 - 15 - 3275/4.0=1, 2926/3.0=1...(4) HG3 LYS 24 - HE3 LYS 12 poor 7 38 - 19 - ~464=3, ~434=2, 1465/1.8=1 HG2 LYS 73 - HE3 LYS 12 lone 5 65 - 8 - ~464=1, ~434=1 HG3 LYS 33 - HE3 LYS 12 lone 3 48 - 6 - HG2 LYS 47 - HE3 LYS 12 lone 3 65 - 4 - HG3 LYS 33 - HE2 LYS 47 lone 3 84 - 3 - HG3 LYS 33 - HE3 LYS 47 lone 3 84 - 3 - HG2 LYS 66 - HE2 LYS 47 lone 2 100 - 2 - HG2 LYS 66 - HE3 LYS 47 lone 2 100 - 2 - HG3 LYS 66 - HE2 LYS 47 lone 2 100 - 2 - HG3 LYS 66 - HE3 LYS 47 lone 2 100 - 2 - HB3 LEU 64 - HE3 LYS 47 lone 2 100 - 1 - HB3 LEU 64 - HE2 LYS 47 lone 2 100 - 1 - HB2 ARG 91 - HE3 LYS 12 lone 1 63 - 2 - HG LEU 57 - HE3 LYS 47 lone 1 92 - 1 - HG LEU 57 - HE2 LYS 47 lone 1 92 - 1 - HG LEU 64 - HE2 LYS 47 lone 1 90 - 1 - HG LEU 64 - HE3 LYS 47 lone 1 90 - 1 - HB3 LEU 64 - HE3 LYS 12 lone 0 65 - 1 - HG LEU 57 - HE3 LYS 12 lone 0 55 - 1 - HG LEU 64 - HE3 LYS 12 lone 0 53 - 0 - Peak 2217 from cnoeabs.peaks (1.62, 2.97, 41.80 ppm; 2.88 A): 2 out of 15 assignments used, quality = 0.96: HG3 LYS 47 + HE2 LYS 47 OK 80 100 - 80 - 3.8=45, 2174/3.0=7...(33) * HG3 LYS 47 + HE3 LYS 47 OK 80 100 - 80 - 3.8=45, 2174/3.0=7...(33) HD2 LYS 94 - HE3 LYS 47 OK 17 100 - 18 - 2162/3.8=3, 2139/4.9=2...(7) HD2 LYS 94 - HE2 LYS 47 OK 17 100 - 18 - 2162/3.8=3, 2139/4.9=2...(7) HG3 LYS 47 - HE3 LYS 12 lone 3 65 - 4 - HD2 LYS 94 - HE3 LYS 12 lone 1 65 - 2 - HD3 LYS 39 - HE3 LYS 12 lone 1 33 - 4 - HG2 LYS 68 - HE3 LYS 12 lone 1 31 - 3 - HD3 LYS 39 - HE2 LYS 47 lone 1 61 - 1 - HD3 LYS 39 - HE3 LYS 47 lone 1 61 - 1 - HG2 LYS 68 - HE3 LYS 47 lone 0 57 - 1 - HG2 LYS 68 - HE2 LYS 47 lone 0 57 - 1 - HB2 ARG 30 - HE3 LYS 47 lone 0 61 - 1 - HB2 ARG 30 - HE2 LYS 47 lone 0 61 - 1 - HB2 ARG 30 - HE3 LYS 12 lone 0 33 - 0 - Peak 2218 from cnoeabs.peaks (1.68, 2.97, 41.80 ppm; 2.48 A): 4 out of 51 assignments used, quality = 0.99: * HD2 LYS 47 + HE3 LYS 47 OK 72 100 - 72 - 3.0=58, 3.0/2217=6...(16) HD2 LYS 47 + HE2 LYS 47 OK 72 100 - 72 - 3.0=58, 3.0/2217=6...(16) HD3 LYS 47 + HE3 LYS 47 OK 72 100 - 72 - 3.0=58, 3.0/2206=6...(16) HD3 LYS 47 + HE2 LYS 47 OK 72 100 - 72 - 3.0=58, 3.0/2206=6...(16) HB3 ARG 91 - HE3 LYS 47 OK 13 100 - 13 - 1.8/2205=1, 2174/3.8=1 HB3 ARG 91 - HE2 LYS 47 OK 13 100 - 13 - 1.8/2205=1, 2174/3.8=1 HG3 LYS 20 - HE2 LYS 47 lone 6 98 - 6 - HG3 LYS 20 - HE3 LYS 47 lone 6 98 - 6 - HD2 LYS 24 - HE2 LYS 47 lone 6 77 - 8 - HD2 LYS 24 - HE3 LYS 47 lone 6 77 - 8 - HD3 LYS 24 - HE2 LYS 47 lone 6 73 - 8 - HD3 LYS 24 - HE3 LYS 47 lone 6 73 - 8 - HD2 LYS 24 - HE3 LYS 12 poor 6 43 - 13 - ~464=1 HD2 LYS 73 - HE3 LYS 47 lone 5 84 - 6 - HD2 LYS 73 - HE2 LYS 47 lone 5 84 - 6 - HD3 LYS 24 - HE3 LYS 12 poor 5 41 - 13 - ~464=1 HG12 ILE 15 - HE3 LYS 12 poor 5 48 - 10 - ~8445=2, ~10392=2, ~8444=1 HD3 LYS 73 - HE2 LYS 47 lone 5 77 - 6 - HD3 LYS 73 - HE3 LYS 47 lone 5 77 - 6 - HD2 LYS 20 - HE2 LYS 47 lone 5 100 - 5 - HD2 LYS 20 - HE3 LYS 47 lone 5 100 - 5 - HD3 LYS 20 - HE2 LYS 47 lone 5 98 - 5 - HD3 LYS 20 - HE3 LYS 47 lone 5 98 - 5 - HB ILE 52 - HE2 LYS 47 lone 3 92 - 4 - HB ILE 52 - HE3 LYS 47 lone 3 92 - 4 - HB ILE 52 - HE3 LYS 12 lone 2 55 - 3 - HD3 LYS 90 - HE3 LYS 12 lone 2 41 - 4 - HG2 PRO 86 - HE2 LYS 47 lone 1 87 - 2 - HG2 PRO 86 - HE3 LYS 47 lone 1 87 - 2 - HD2 LYS 73 - HE3 LYS 12 lone 1 48 - 3 - HB3 LYS 40 - HE3 LYS 47 lone 1 100 - 1 - HB3 LYS 40 - HE2 LYS 47 lone 1 100 - 1 - HD3 LYS 73 - HE3 LYS 12 lone 1 43 - 3 - HD2 LYS 47 - HE3 LYS 12 lone 1 65 - 2 - HG12 ILE 15 - HE3 LYS 47 lone 1 84 - 1 - HG12 ILE 15 - HE2 LYS 47 lone 1 84 - 1 - HD3 LYS 47 - HE3 LYS 12 lone 1 65 - 2 - HB3 LYS 40 - HE3 LYS 12 lone 1 64 - 2 - HB3 LYS 53 - HE2 LYS 47 lone 1 99 - 1 - HB3 LYS 53 - HE3 LYS 47 lone 1 99 - 1 - HB3 ARG 91 - HE3 LYS 12 lone 1 65 - 1 - HD3 LYS 90 - HE2 LYS 47 lone 1 73 - 1 - HD3 LYS 90 - HE3 LYS 47 lone 1 73 - 1 - HG2 PRO 86 - HE3 LYS 12 lone 0 50 - 1 - HB3 LYS 53 - HE3 LYS 12 lone 0 63 - 1 - HG LEU 70 - HE3 LYS 12 lone 0 36 - 1 - HG LEU 70 - HE3 LYS 47 lone 0 65 - 0 - HG LEU 70 - HE2 LYS 47 lone 0 65 - 0 - HG3 LYS 20 - HE3 LYS 12 lone 0 61 - 0 - HD2 LYS 20 - HE3 LYS 12 lone 0 64 - 0 - HD3 LYS 20 - HE3 LYS 12 lone 0 61 - 0 - Peak 2219 from cnoeabs.peaks (1.68, 2.97, 41.80 ppm; 2.48 A): 4 out of 60 assignments used, quality = 0.99: HD3 LYS 47 + HE2 LYS 47 OK 72 100 - 72 - 3.0=58, 3.0/2206=6...(16) * HD3 LYS 47 + HE3 LYS 47 OK 72 100 - 72 - 3.0=58, 3.0/2206=6...(16) HD2 LYS 47 + HE2 LYS 47 OK 72 100 - 72 - 3.0=58, 3.0/2206=6...(16) HD2 LYS 47 + HE3 LYS 47 OK 72 100 - 72 - 3.0=58, 3.0/2206=6...(16) HD2 LYS 12 - HE3 LYS 12 OK 23 33 - 70 - 3.0=58, ~423=4, ~466=4...(11) HD3 LYS 12 - HE3 LYS 12 OK 23 33 - 70 - 3.0=58, ~423=4, ~466=4...(11) HB3 ARG 91 - HE3 LYS 47 OK 13 100 - 13 - 1.8/2216=1, 2174/3.8=1 HB3 ARG 91 - HE2 LYS 47 OK 13 100 - 13 - 1.8/2216=1, 2174/3.8=1 HD2 LYS 24 - HE3 LYS 47 lone 6 81 - 8 - HD2 LYS 24 - HE2 LYS 47 lone 6 81 - 8 - HG3 LYS 20 - HE2 LYS 47 lone 6 97 - 6 - HG3 LYS 20 - HE3 LYS 47 lone 6 97 - 6 - HD2 LYS 24 - HE3 LYS 12 poor 6 46 - 13 - ~464=1 HD3 LYS 24 - HE2 LYS 47 lone 6 77 - 8 - HD3 LYS 24 - HE3 LYS 47 lone 6 77 - 8 - HD3 LYS 24 - HE3 LYS 12 poor 6 43 - 13 - ~464=1 HD2 LYS 13 - HE3 LYS 47 lone 6 61 - 9 - HD2 LYS 13 - HE2 LYS 47 lone 6 61 - 9 - HG12 ILE 15 - HE3 LYS 12 poor 5 50 - 11 - ~8445=2, ~10392=2, ~8444=1 HD2 LYS 73 - HE3 LYS 47 lone 5 81 - 6 - HD2 LYS 73 - HE2 LYS 47 lone 5 81 - 6 - HD2 LYS 20 - HE3 LYS 47 lone 5 99 - 5 - HD2 LYS 20 - HE2 LYS 47 lone 5 99 - 5 - HD2 LYS 13 - HE3 LYS 12 poor 5 33 - 14 - ~463=1, ~466=1, ~465=1 HD3 LYS 20 - HE3 LYS 47 lone 4 97 - 5 - HD3 LYS 20 - HE2 LYS 47 lone 4 97 - 5 - HD3 LYS 73 - HE2 LYS 47 lone 4 73 - 6 - HD3 LYS 73 - HE3 LYS 47 lone 4 73 - 6 - HB ILE 52 - HE3 LYS 47 lone 3 90 - 4 - HB ILE 52 - HE2 LYS 47 lone 3 90 - 4 - HD3 LYS 90 - HE3 LYS 12 lone 2 43 - 4 - HD2 LYS 12 - HE2 LYS 47 lone 2 61 - 2 - HD2 LYS 12 - HE3 LYS 47 lone 2 61 - 2 - HD3 LYS 12 - HE3 LYS 47 lone 2 61 - 2 - HD3 LYS 12 - HE2 LYS 47 lone 2 61 - 2 - HG2 PRO 86 - HE3 LYS 47 lone 1 90 - 2 - HG2 PRO 86 - HE2 LYS 47 lone 1 90 - 2 - HB ILE 52 - HE3 LYS 12 lone 2 53 - 3 - HB3 LYS 40 - HE2 LYS 47 lone 1 100 - 1 - HB3 LYS 40 - HE3 LYS 47 lone 1 100 - 1 - HD2 LYS 73 - HE3 LYS 12 lone 1 46 - 3 - HD2 LYS 47 - HE3 LYS 12 lone 1 65 - 2 - HG12 ILE 15 - HE2 LYS 47 lone 1 87 - 1 - HG12 ILE 15 - HE3 LYS 47 lone 1 87 - 1 - HD3 LYS 73 - HE3 LYS 12 lone 1 41 - 3 - HD3 LYS 47 - HE3 LYS 12 lone 1 65 - 2 - HB3 LYS 40 - HE3 LYS 12 lone 1 65 - 2 - HB3 LYS 53 - HE2 LYS 47 lone 1 99 - 1 - HB3 LYS 53 - HE3 LYS 47 lone 1 99 - 1 - HB3 ARG 91 - HE3 LYS 12 lone 1 65 - 1 - HD3 LYS 90 - HE3 LYS 47 lone 1 77 - 1 - HD3 LYS 90 - HE2 LYS 47 lone 1 77 - 1 - HG2 PRO 86 - HE3 LYS 12 lone 0 53 - 1 - HG LEU 70 - HE2 LYS 47 lone 0 70 - 1 - HG LEU 70 - HE3 LYS 47 lone 0 70 - 1 - HG LEU 70 - HE3 LYS 12 lone 0 38 - 1 - HB3 LYS 53 - HE3 LYS 12 lone 0 64 - 1 - HG3 LYS 20 - HE3 LYS 12 lone 0 60 - 0 - HD2 LYS 20 - HE3 LYS 12 lone 0 64 - 0 - HD3 LYS 20 - HE3 LYS 12 lone 0 60 - 0 - Peak 2220 from cnoeabs.peaks (2.97, 2.97, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 47 + HE3 LYS 47 OK 100 100 - 100 HE2 LYS 47 + HE2 LYS 47 OK 100 100 - 100 HE3 LYS 12 + HE3 LYS 12 OK 57 57 - 100 Reference assignment not found: HE2 LYS 47 - HE3 LYS 47 Peak 2221 from cnoeabs.peaks (2.97, 2.97, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE3 LYS 47 + HE3 LYS 47 OK 100 100 - 100 HE2 LYS 47 + HE2 LYS 47 OK 100 100 - 100 HE3 LYS 12 + HE3 LYS 12 OK 57 57 - 100 Peak 2222 from cnoeabs.peaks (7.62, 2.97, 41.80 ppm; 5.02 A): 4 out of 15 assignments used, quality = 0.98: H GLU 48 + HE2 LYS 47 OK 71 100 - 71 - 6785/3.8=19, 2144/4.9=14...(11) * H GLU 48 + HE3 LYS 47 OK 71 100 - 71 - 6785/3.8=19, 2144/4.9=14...(11) H GLU 44 + HE2 LYS 47 OK 49 81 - 62 - 2178/3.8=9, 3.0/8977=8...(15) H GLU 44 + HE3 LYS 47 OK 49 81 - 62 - 2178/3.8=9, 3.0/8977=8...(15) HE22 GLN 50 - HE3 LYS 47 OK 12 96 - 12 - 2178/3.8=3, 2167/3.8=2...(6) HE22 GLN 50 - HE2 LYS 47 OK 12 96 - 12 - 2178/3.8=3, 2167/3.8=2...(6) HD22 ASN 10 - HE3 LYS 47 OK 12 92 - 12 - 2178/3.8=2, 2167/3.8=2...(6) HD22 ASN 10 - HE2 LYS 47 OK 12 92 - 12 - 2178/3.8=2, 2167/3.8=2...(6) H LYS 40 - HE2 LYS 47 poor 7 70 - 10 - 2178/3.8=2, 2167/3.8=1 H LYS 40 - HE3 LYS 47 poor 7 70 - 10 - 2178/3.8=2, 2167/3.8=1 H LYS 40 - HE3 LYS 12 poor 7 38 - 18 - 6621/4.8=3, 6621/4.8=3...(7) H GLU 48 - HE3 LYS 12 lone 6 65 - 9 - 10622/6.3=1, 6788=1 H GLU 44 - HE3 LYS 12 lone 2 46 - 5 - HE22 GLN 50 - HE3 LYS 12 lone 2 58 - 3 - HD22 ASN 10 - HE3 LYS 12 lone 1 55 - 1 - Peak 2223 from cnoeabs.peaks (7.62, 4.43, 55.95 ppm; 3.44 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 48 + HA GLU 48 OK 100 100 - 100 - 3.0=100 HD22 ASN 10 - HA GLU 48 OK 28 92 - 31 - 3.5/8354=6, 3.5/8352=5...(12) HE22 GLN 50 - HA GLU 48 OK 21 96 - 23 - 6.6/12314=4, 2230/3.0=4...(9) H GLU 44 - HA GLU 48 OK 12 81 - 15 - ~10621=4, ~1991=2...(7) H LYS 40 - HA GLU 48 poor 7 70 - 10 - 2.9/10619=2, 6797/3.6=1...(5) Peak 2224 from cnoeabs.peaks (4.43, 4.43, 55.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 48 + HA GLU 48 OK 100 100 - 100 Peak 2225 from cnoeabs.peaks (2.30, 4.43, 55.95 ppm; 3.17 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 48 + HA GLU 48 OK 100 100 - 100 - 3.0=100 HG3 GLU 16 - HA GLU 48 OK 40 100 - 41 - 1.8/2227=8, 6791/3.0=6...(15) HG2 GLU 63 - HA GLU 48 OK 12 100 - 12 - 6799/3.6=3, 6791/3.0=2 HD3 ARG 81 - HA GLU 48 lone 7 92 - 8 - HB2 TYR 41 - HA GLU 48 lone 7 73 - 9 - ~1879=1, ~10621=1...(4) HB2 TYR 4 - HA GLU 48 lone 6 97 - 6 - ~156=1 Peak 2226 from cnoeabs.peaks (2.05, 4.43, 55.95 ppm; 3.38 A): 1 out of 11 assignments used, quality = 1.00: * HB3 GLU 48 + HA GLU 48 OK 100 100 - 100 - 3.0=100 HB2 GLU 99 - HA GLU 48 OK 26 99 - 26 - 2233/3.0=4, 2238=3...(11) HB3 GLU 99 - HA GLU 48 OK 25 92 - 27 - 2233/3.0=3, 3.0/2228=3...(13) HB2 GLU 98 - HA GLU 48 OK 15 100 - 15 - 2233/3.0=2, 2238=2...(7) HB3 GLU 98 - HA GLU 48 OK 15 99 - 15 - 2233/3.0=2, 6792/3.0=2...(7) HB3 GLU 43 - HA GLU 48 OK 15 70 - 21 - 3.0/2227=3, ~1968=3...(9) HG12 ILE 93 - HA GLU 48 OK 12 92 - 13 - 3.2/10030=5, 2233/3.0=1...(4) HB2 MET 21 - HA GLU 48 OK 10 100 - 10 - 2233/3.0=1, 6792/3.0=1 HB2 MET 74 - HA GLU 48 lone 4 77 - 5 - HG2 GLU 28 - HA GLU 48 lone 1 73 - 1 - HG3 GLU 28 - HA GLU 48 lone 1 73 - 1 - Peak 2227 from cnoeabs.peaks (2.33, 4.43, 55.95 ppm; 3.32 A): 3 out of 5 assignments used, quality = 0.93: * HG2 GLU 48 + HA GLU 48 OK 86 100 - 86 - 4.1=52, 2234/3.0=18...(16) HG2 GLU 16 + HA GLU 48 OK 41 99 - 42 - 1.8/2225=9, 2234/3.0=8...(11) HG3 GLU 43 + HA GLU 48 OK 16 90 - 18 - 6793/3.0=4, 2234/3.0=2...(8) HG3 GLU 69 - HA GLU 48 lone 9 97 - 9 - 6793/3.0=2, 2234/3.0=2...(5) HB2 TYR 41 - HA GLU 48 lone 6 61 - 9 - ~1879=2, ~10621=2...(4) Peak 2228 from cnoeabs.peaks (2.43, 4.43, 55.95 ppm; 3.80 A): 1 out of 7 assignments used, quality = 0.96: * HG3 GLU 48 + HA GLU 48 OK 96 100 - 96 - 4.1=78, 1.8/2227=23...(18) HG3 GLN 50 - HA GLU 48 OK 30 100 - 30 - 5.1/12314=9, 9081/3.0=5...(8) HG3 GLU 99 - HA GLU 48 OK 27 94 - 29 - 2235/3.0=4, 3.0/2226=4...(11) HG3 GLU 17 - HA GLU 48 OK 19 100 - 19 - 2235/3.0=4, 2252=3...(6) HB2 ASP 11 - HA GLU 48 OK 18 100 - 18 - 4.0/10387=5, 4.5/12314=4...(5) HG2 GLN 72 - HA GLU 48 lone 8 99 - 8 - 6794/3.0=2, 2235/3.0=1 HG3 MET 1 - HA GLU 48 lone 7 90 - 8 - 6794/3.0=2, 2235/3.0=1 Peak 2229 from cnoeabs.peaks (7.72, 4.43, 55.95 ppm; 3.53 A): 1 out of 5 assignments used, quality = 0.99: * H SER 49 + HA GLU 48 OK 99 100 - 99 - 3.6=97, 6795/3.0=19...(11) H ASN 60 - HA GLU 48 OK 19 99 - 19 - 9412/3.0=3, 6795/3.0=3...(8) H LEU 64 - HA GLU 48 OK 14 96 - 14 - 2236/3.0=4, 6795/3.0=3...(6) H ALA 25 - HA GLU 48 OK 11 77 - 14 - 6795/3.0=3, 2236/3.0=2...(4) H GLU 37 - HA GLU 48 lone 5 73 - 7 - 6795/3.0=1 Peak 2230 from cnoeabs.peaks (7.62, 2.30, 29.70 ppm; 3.79 A): 2 out of 5 assignments used, quality = 0.96: * H GLU 48 + HB2 GLU 48 OK 94 100 - 94 - 4.0=82, 6792/1.8=21...(15) HD22 ASN 10 + HB2 GLU 48 OK 33 92 - 36 - 3.5/10617=7, 2237/1.8=6...(11) HE22 GLN 50 - HB2 GLU 48 OK 26 96 - 27 - 2237/1.8=4, 9087/3.0=4...(8) H GLU 44 - HB2 GLU 48 OK 11 81 - 13 - 2223/3.0=2, 2237/1.8=2...(5) H LYS 40 - HB2 GLU 48 poor 8 70 - 11 - ~10619=2, 2223/3.0=1...(5) Peak 2231 from cnoeabs.peaks (4.43, 2.30, 29.70 ppm; 3.78 A): 1 out of 7 assignments used, quality = 1.00: * HA GLU 48 + HB2 GLU 48 OK 100 100 - 100 - 3.0=100 HA ILE 76 - HB2 GLU 48 OK 32 100 - 33 - 3.2/9038=8, 2238/1.8=5...(12) HA SER 9 - HB2 GLU 48 OK 15 100 - 15 - 6790/4.0=2, 2238/1.8=2...(7) HA ALA 25 - HB2 GLU 48 OK 14 77 - 19 - ~8625=3, 3.0/2236=2...(8) HA MET 21 - HB2 GLU 48 poor 9 70 - 12 - 2238/1.8=2, 3.0/2233=2 HB THR 84 - HB2 GLU 48 lone 4 87 - 5 - HA VAL 32 - HB2 GLU 48 lone 4 70 - 6 - Peak 2232 from cnoeabs.peaks (2.30, 2.30, 29.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 48 + HB2 GLU 48 OK 100 100 - 100 Peak 2233 from cnoeabs.peaks (2.05, 2.30, 29.70 ppm; 2.87 A): 1 out of 11 assignments used, quality = 1.00: * HB3 GLU 48 + HB2 GLU 48 OK 100 100 - 100 - 1.8=100 HB2 GLU 99 - HB2 GLU 48 OK 23 99 - 24 - 2239=4, 3.0/2235=3...(7) HB3 GLU 99 - HB2 GLU 48 OK 22 92 - 24 - 1.8/2239=3, 3.0/2235=3...(7) HB2 GLU 98 - HB2 GLU 48 OK 14 100 - 14 - 2239=2, 1.8/2239=1...(4) HB3 GLU 98 - HB2 GLU 48 OK 14 99 - 14 - 2239=2, 1.8/2239=1...(4) HG12 ILE 93 - HB2 GLU 48 lone 9 92 - 9 - ~10030=2, 2.1/9039=1 HB2 MET 21 - HB2 GLU 48 lone 8 100 - 8 - HB3 GLU 43 - HB2 GLU 48 poor 8 70 - 11 - 3.0/2234=2, 1976/4.0=1 HB2 MET 74 - HB2 GLU 48 lone 2 77 - 2 - HG2 GLU 28 - HB2 GLU 48 lone 1 73 - 1 - HG3 GLU 28 - HB2 GLU 48 lone 1 73 - 1 - Peak 2234 from cnoeabs.peaks (2.33, 2.30, 29.70 ppm; 2.70 A): 2 out of 5 assignments used, quality = 0.93: * HG2 GLU 48 + HB2 GLU 48 OK 88 100 - 88 - 3.0=72, 1.8/2253=19...(16) HG2 GLU 16 + HB2 GLU 48 OK 40 99 - 41 - 716=6, 2241/1.8=6...(15) HG3 GLU 43 - HB2 GLU 48 poor 10 90 - 11 - 2241/1.8=2, 2227/3.0=2 HG3 GLU 69 - HB2 GLU 48 lone 7 97 - 7 - 2241/1.8=1, 716=1 HB2 TYR 41 - HB2 GLU 48 lone 3 61 - 6 - Peak 2235 from cnoeabs.peaks (2.43, 2.30, 29.70 ppm; 3.25 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLU 48 + HB2 GLU 48 OK 100 100 - 100 - 3.0=100 HG3 GLU 99 - HB2 GLU 48 OK 25 94 - 27 - 3.0/2233=3, 3.0/2233=3...(9) HG3 GLN 50 - HB2 GLU 48 OK 22 100 - 22 - 5.1/9031=3, 2228/3.0=3...(8) HG3 GLU 17 - HB2 GLU 48 OK 20 100 - 21 - 2253=3, 5.1/6253=3...(7) HB2 ASP 11 - HB2 GLU 48 lone 9 100 - 9 - 2228/3.0=2 HG2 GLN 72 - HB2 GLU 48 lone 7 99 - 7 - HG3 MET 1 - HB2 GLU 48 lone 6 90 - 7 - 6794/4.0=1 Peak 2236 from cnoeabs.peaks (7.72, 2.30, 29.70 ppm; 4.42 A): 1 out of 5 assignments used, quality = 0.97: * H SER 49 + HB2 GLU 48 OK 97 100 - 97 - 4.6=87, 6798/3.0=28...(13) H LEU 64 - HB2 GLU 48 OK 33 96 - 35 - 7033=8, 2229/3.0=4...(11) H ASN 60 - HB2 GLU 48 OK 30 99 - 30 - 9412=7, 2229/3.0=5...(9) H ALA 25 - HB2 GLU 48 OK 19 77 - 25 - ~8625=4, 2243/1.8=3...(10) H GLU 37 - HB2 GLU 48 lone 5 73 - 7 - 6795/4.0=1, 2229/3.0=1 Peak 2237 from cnoeabs.peaks (7.62, 2.05, 29.70 ppm; 3.46 A): 4 out of 20 assignments used, quality = 0.92: * H GLU 48 + HB3 GLU 48 OK 84 100 - 84 - 4.0=63, 6791/1.8=24...(9) HD22 ASN 10 + HB3 GLU 48 OK 27 92 - 30 - 2230/1.8=6, ~10617=5...(11) HE22 GLN 50 + HB3 GLU 48 OK 18 96 - 19 - 2230/1.8=5, 9087/3.0=3...(7) H GLU 48 + HB2 GLU 99 OK 16 64 - 24 - 6792=5, 6792/1.8=4...(11) H GLU 44 - HB3 GLU 48 poor 8 81 - 10 - 2230/1.8=2, 2223/3.0=2...(4) H GLU 48 - HB2 GLU 98 poor 8 59 - 13 - 6792=3, 6792/1.8=3...(5) H GLU 48 - HB3 GLU 98 poor 8 56 - 13 - 6792=3, 6792/1.8=3...(5) H LYS 40 - HB3 GLU 48 lone 5 70 - 8 - 2230/1.8=1, ~10619=1, 2223/3.0=1 HE22 GLN 50 - HB2 GLU 99 lone 3 58 - 4 - 9087/3.0=1 HD22 ASN 10 - HB2 GLU 99 lone 1 54 - 2 - HE22 GLN 50 - HB2 GLU 98 lone 1 52 - 1 - H GLU 44 - HB2 GLU 99 lone 1 45 - 1 - HE22 GLN 50 - HB3 GLU 98 lone 1 49 - 1 - HD22 ASN 10 - HB2 GLU 98 lone 0 49 - 1 - HD22 ASN 10 - HB3 GLU 98 lone 0 46 - 1 - H GLU 44 - HB2 GLU 98 lone 0 40 - 1 - H GLU 44 - HB3 GLU 98 lone 0 38 - 1 - H LYS 40 - HB2 GLU 99 lone 0 38 - 1 - H LYS 40 - HB2 GLU 98 lone 0 34 - 1 - H LYS 40 - HB3 GLU 98 lone 0 32 - 1 - Peak 2238 from cnoeabs.peaks (4.43, 2.05, 29.70 ppm; 3.75 A): 1 out of 28 assignments used, quality = 1.00: * HA GLU 48 + HB3 GLU 48 OK 100 100 - 100 - 3.0=100 HA ILE 76 - HB3 GLU 48 OK 33 100 - 33 - 2231/1.8=7, ~9038=5...(13) HA GLU 48 - HB2 GLU 99 OK 23 64 - 36 - 2226=6, 2226/1.8=5...(12) HA ALA 25 - HB3 GLU 48 OK 14 77 - 19 - 2231/1.8=3, ~8625=3...(8) HA SER 9 - HB3 GLU 48 OK 13 100 - 13 - 2231/1.8=3, 6790/4.0=2...(7) HA GLU 48 - HB2 GLU 98 OK 12 59 - 20 - 2226=3, 2226/1.8=3...(8) HA GLU 48 - HB3 GLU 98 OK 12 56 - 21 - 2226=3, 2226/1.8=3...(8) HA MET 21 - HB3 GLU 48 OK 10 70 - 15 - 2231/1.8=2, 3.0/6333=1...(4) HB THR 84 - HB3 GLU 48 lone 4 87 - 4 - HA VAL 32 - HB3 GLU 48 lone 4 70 - 5 - HA MET 21 - HB2 GLU 99 lone 3 38 - 9 - 3.6/6347=2, 3.0/6333=1 HA MET 21 - HB2 GLU 98 lone 2 34 - 7 - 3.0/6333=1 HA MET 21 - HB3 GLU 98 lone 2 32 - 7 - 3.0/6333=1 HA ILE 76 - HB2 GLU 99 lone 2 64 - 3 - HA SER 9 - HB2 GLU 99 lone 1 64 - 2 - HA ALA 25 - HB2 GLU 99 lone 1 43 - 3 - HA ILE 76 - HB2 GLU 98 lone 1 59 - 2 - HA ILE 76 - HB3 GLU 98 lone 1 56 - 2 - HA SER 9 - HB2 GLU 98 lone 1 58 - 2 - HA SER 9 - HB3 GLU 98 lone 1 56 - 2 - HB THR 84 - HB2 GLU 99 lone 0 50 - 1 - HA ALA 25 - HB2 GLU 98 lone 0 38 - 1 - HA ALA 25 - HB3 GLU 98 lone 0 36 - 1 - HB THR 84 - HB2 GLU 98 lone 0 45 - 1 - HB THR 84 - HB3 GLU 98 lone 0 42 - 1 - HA VAL 32 - HB2 GLU 99 lone 0 38 - 1 - HA VAL 32 - HB2 GLU 98 lone 0 34 - 1 - HA VAL 32 - HB3 GLU 98 lone 0 32 - 1 - Peak 2239 from cnoeabs.peaks (2.30, 2.05, 29.70 ppm; 2.72 A): 1 out of 24 assignments used, quality = 1.00: * HB2 GLU 48 + HB3 GLU 48 OK 100 100 - 100 - 1.8=100 HG3 GLU 16 - HB3 GLU 48 OK 36 100 - 37 - 1.8/2241=6, ~2234=4...(15) HB2 GLU 48 - HB2 GLU 99 OK 15 64 - 24 - 2233=5, 2233/1.8=3...(7) HG2 GLU 63 - HB3 GLU 48 lone 9 100 - 9 - 6799/4.6=1, 2225/3.0=1, ~2797=1 HB2 GLU 48 - HB2 GLU 98 poor 8 59 - 14 - 2233=3, 2233/1.8=2...(4) HB2 GLU 48 - HB3 GLU 98 poor 8 56 - 14 - 2233=3, 2233/1.8=2...(4) HD3 ARG 81 - HB3 GLU 48 lone 6 92 - 7 - HB2 TYR 4 - HB3 GLU 48 lone 6 97 - 6 - ~156=1 HB2 TYR 41 - HB3 GLU 48 lone 3 73 - 4 - HB2 TYR 4 - HB2 GLU 98 lone 2 54 - 3 - HB2 TYR 4 - HB3 GLU 98 lone 2 51 - 3 - HG3 GLU 16 - HB2 GLU 99 lone 1 64 - 2 - HB2 TYR 4 - HB2 GLU 99 lone 1 59 - 1 - HG2 GLU 63 - HB2 GLU 99 lone 1 63 - 1 - HG3 GLU 16 - HB2 GLU 98 lone 1 59 - 1 - HG3 GLU 16 - HB3 GLU 98 lone 1 56 - 1 - HG2 GLU 63 - HB2 GLU 98 lone 0 58 - 1 - HG2 GLU 63 - HB3 GLU 98 lone 0 55 - 1 - HD3 ARG 81 - HB2 GLU 99 lone 0 54 - 1 - HD3 ARG 81 - HB2 GLU 98 lone 0 49 - 0 - HB2 TYR 41 - HB2 GLU 99 lone 0 40 - 0 - HD3 ARG 81 - HB3 GLU 98 lone 0 46 - 0 - HB2 TYR 41 - HB2 GLU 98 lone 0 36 - 0 - HB2 TYR 41 - HB3 GLU 98 lone 0 34 - 0 - Peak 2240 from cnoeabs.peaks (2.05, 2.05, 29.70 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLU 48 + HB3 GLU 48 OK 100 100 - 100 HB2 GLU 99 + HB2 GLU 99 OK 63 63 - 100 HB2 GLU 98 + HB2 GLU 98 OK 58 58 - 100 HB3 GLU 98 + HB3 GLU 98 OK 54 54 - 100 Peak 2241 from cnoeabs.peaks (2.33, 2.05, 29.70 ppm; 2.91 A): 1 out of 20 assignments used, quality = 0.96: * HG2 GLU 48 + HB3 GLU 48 OK 96 100 - 96 - 3.0=90, 2234/1.8=22...(14) HG2 GLU 16 - HB3 GLU 48 OK 42 99 - 43 - 2234/1.8=10, 1.8/2239=6...(15) HG2 GLU 48 - HB2 GLU 99 OK 16 64 - 25 - 2247=4, 2247/1.8=3...(11) HG3 GLU 43 - HB3 GLU 48 OK 12 90 - 13 - 2234/1.8=2, 2227/3.0=2 HG2 GLU 48 - HB2 GLU 98 poor 8 59 - 14 - 2247=3, 2247/1.8=2...(4) HG3 GLU 69 - HB3 GLU 48 lone 8 97 - 8 - 2234/1.8=2, 2247=1, 2227/3.0=1 HG2 GLU 48 - HB3 GLU 98 poor 8 56 - 14 - 2247=3, 2247/1.8=2...(4) HB2 TYR 41 - HB3 GLU 48 lone 3 61 - 5 - HG2 GLU 16 - HB2 GLU 99 lone 2 62 - 3 - HG2 GLU 16 - HB2 GLU 98 lone 1 56 - 2 - HG2 GLU 16 - HB3 GLU 98 lone 1 53 - 2 - HG3 GLU 69 - HB2 GLU 99 lone 0 59 - 1 - HG3 GLU 43 - HB2 GLU 99 lone 0 52 - 1 - HG3 GLU 69 - HB2 GLU 98 lone 0 54 - 1 - HG3 GLU 69 - HB3 GLU 98 lone 0 51 - 1 - HG3 GLU 43 - HB2 GLU 98 lone 0 47 - 1 - HG3 GLU 43 - HB3 GLU 98 lone 0 44 - 1 - HB2 TYR 41 - HB2 GLU 99 lone 0 32 - 0 - HB2 TYR 41 - HB2 GLU 98 lone 0 29 - 0 - HB2 TYR 41 - HB3 GLU 98 lone 0 27 - 0 - Peak 2242 from cnoeabs.peaks (2.43, 2.05, 29.70 ppm; 3.29 A): 2 out of 28 assignments used, quality = 1.00: * HG3 GLU 48 + HB3 GLU 48 OK 100 100 - 100 - 3.0=100 HG3 GLU 99 + HB2 GLU 99 OK 56 56 - 100 - 3.0=100 HG3 GLU 99 - HB2 GLU 98 OK 27 50 - 53 - 7612/4.6=9, 4432/3.0=5...(27) HG3 GLU 99 - HB3 GLU 98 OK 25 48 - 53 - 7612/4.6=9, 4432/3.0=5...(27) HG3 GLU 99 - HB3 GLU 48 OK 22 94 - 24 - 2235/1.8=5, 2228/3.0=3...(10) HG3 GLU 48 - HB2 GLU 99 OK 19 64 - 30 - 1.8/2247=4, 3.0/2233=3...(14) HG3 GLN 50 - HB3 GLU 48 OK 19 100 - 19 - 2235/1.8=4, 2228/3.0=3...(6) HG3 GLU 17 - HB3 GLU 48 OK 17 100 - 17 - 2235/1.8=4, 2249/3.0=2...(6) HG3 GLU 48 - HB2 GLU 98 OK 10 59 - 17 - 1.8/2247=2, 3.0/2233=2...(8) HG3 GLU 48 - HB3 GLU 98 poor 10 56 - 18 - 1.8/2247=2, 3.0/2233=2...(9) HB2 ASP 11 - HB3 GLU 48 lone 8 100 - 8 - 2228/3.0=2, 2235/1.8=2 HG2 GLN 72 - HB3 GLU 48 lone 7 99 - 7 - 2235/1.8=1 HG2 GLN 72 - HB2 GLU 99 poor 7 62 - 10 - 3212/3.0=2, ~3221=1 HG3 GLN 50 - HB2 GLU 99 lone 6 64 - 9 - 2307/1.8=2, ~2299=1, 4403/3.0=1 HG3 MET 1 - HB3 GLU 48 lone 6 90 - 6 - 2235/1.8=1, 6794/4.0=1 HG3 GLU 17 - HB2 GLU 99 lone 5 64 - 8 - 7612/3.9=1 HG3 GLU 17 - HB2 GLU 98 lone 2 59 - 3 - 7612/4.6=1 HB2 ASP 11 - HB2 GLU 99 lone 2 63 - 2 - HG3 GLU 17 - HB3 GLU 98 lone 2 56 - 3 - 7612/4.6=1 HG3 GLN 50 - HB2 GLU 98 lone 1 58 - 2 - HG3 GLN 50 - HB3 GLU 98 lone 1 55 - 2 - HG2 GLN 72 - HB2 GLU 98 lone 1 56 - 2 - HG2 GLN 72 - HB3 GLU 98 lone 1 53 - 2 - HB2 ASP 11 - HB2 GLU 98 lone 1 58 - 1 - HB2 ASP 11 - HB3 GLU 98 lone 1 55 - 1 - HG3 MET 1 - HB2 GLU 98 lone 0 47 - 1 - HG3 MET 1 - HB2 GLU 99 lone 0 52 - 1 - HG3 MET 1 - HB3 GLU 98 lone 0 44 - 1 - Peak 2243 from cnoeabs.peaks (7.72, 2.05, 29.70 ppm; 4.40 A): 1 out of 20 assignments used, quality = 0.96: * H SER 49 + HB3 GLU 48 OK 96 100 - 96 - 4.6=86, 6798/3.0=28...(10) H ASN 60 - HB3 GLU 48 OK 21 99 - 21 - 9412/1.8=7, 2229/3.0=5...(5) H LEU 64 - HB3 GLU 48 OK 19 96 - 20 - 2236/1.8=7, 2229/3.0=4...(5) H ALA 25 - HB3 GLU 48 OK 19 77 - 24 - 2236/1.8=4, ~8625=4...(8) H SER 49 - HB2 GLU 99 OK 15 64 - 23 - 6800=5, 3.6/2226=4...(6) H SER 49 - HB2 GLU 98 poor 8 59 - 13 - 6800=3, 3.6/2226=2...(5) H SER 49 - HB3 GLU 98 poor 7 56 - 13 - 6800=3, 3.6/2226=2...(5) H LEU 64 - HB2 GLU 99 lone 5 58 - 9 - 7028/3.0=4, 7042/3.9=2 H GLU 37 - HB3 GLU 48 lone 5 73 - 6 - 6795/4.0=1, 2229/3.0=1 H LEU 64 - HB2 GLU 98 lone 2 52 - 5 - 7042/4.6=2 H LEU 64 - HB3 GLU 98 lone 2 49 - 5 - 7042/4.6=2 H ALA 25 - HB2 GLU 99 lone 2 43 - 4 - H ASN 60 - HB2 GLU 99 lone 2 62 - 3 - H ASN 60 - HB2 GLU 98 lone 1 56 - 2 - H ASN 60 - HB3 GLU 98 lone 1 53 - 2 - H ALA 25 - HB2 GLU 98 lone 1 38 - 2 - H ALA 25 - HB3 GLU 98 lone 1 36 - 2 - H GLU 37 - HB2 GLU 99 lone 1 40 - 1 - H GLU 37 - HB2 GLU 98 lone 0 36 - 1 - H GLU 37 - HB3 GLU 98 lone 0 34 - 1 - Peak 2244 from cnoeabs.peaks (7.62, 2.33, 35.74 ppm; 3.83 A): 3 out of 15 assignments used, quality = 0.92: * H GLU 48 + HG2 GLU 48 OK 83 100 - 83 - 4.9=47, 6791/3.0=21...(11) H GLU 48 + HG2 GLU 16 OK 35 72 - 49 - 6793=12, 6791/1.8=10...(9) HD22 ASN 10 + HG2 GLU 48 OK 28 92 - 30 - 2230/3.0=6, 2251/1.8=5...(8) HE22 GLN 50 - HG2 GLU 48 OK 22 96 - 23 - 9087/1.8=5, 2230/3.0=4...(7) H GLU 44 - HG3 GLU 69 OK 13 51 - 25 - 6713/1.8=4, ~1995=3...(7) H GLU 44 - HG2 GLU 48 OK 13 81 - 16 - 6709=2, 2230/3.0=2...(9) H GLU 48 - HG3 GLU 69 poor 10 72 - 13 - 6793=3, 3.0/2227=2...(6) H GLU 44 - HG2 GLU 16 poor 7 51 - 13 - 6716/5.1=2, 6709=1...(5) H LYS 40 - HG2 GLU 48 lone 5 70 - 7 - 2230/3.0=1, 4.9/10580=1 HE22 GLN 50 - HG2 GLU 16 lone 5 65 - 8 - 9089/3.0=1 HD22 ASN 10 - HG2 GLU 16 lone 3 61 - 4 - HD22 ASN 10 - HG3 GLU 69 lone 1 61 - 2 - HE22 GLN 50 - HG3 GLU 69 lone 1 65 - 2 - H LYS 40 - HG3 GLU 69 lone 1 43 - 3 - H LYS 40 - HG2 GLU 16 lone 1 43 - 2 - Peak 2245 from cnoeabs.peaks (4.43, 2.33, 35.74 ppm; 4.07 A): 1 out of 21 assignments used, quality = 0.99: * HA GLU 48 + HG2 GLU 48 OK 99 100 - 99 - 4.1=96, 3.0/2234=25...(17) HA GLU 48 - HG2 GLU 16 OK 41 72 - 58 - 2227=13, 3.0/2234=11...(11) HA ILE 76 - HG2 GLU 48 OK 27 100 - 28 - 2231/3.0=6, 2252/1.8=5...(8) HA ALA 25 - HG2 GLU 48 OK 14 77 - 18 - ~8625=4, 2231/3.0=3...(9) HA SER 9 - HG2 GLU 48 OK 11 100 - 11 - 2231/3.0=3, 2252/1.8=2...(4) HA GLU 48 - HG3 GLU 69 OK 10 72 - 13 - 2227=3, 3.0/6793=2...(6) HA MET 21 - HG2 GLU 48 poor 7 70 - 10 - 2231/3.0=2, 2238/3.0=1...(4) HA ILE 76 - HG2 GLU 16 lone 6 72 - 9 - ~10426=2, ~9645=1...(4) HB THR 84 - HG2 GLU 48 lone 3 87 - 3 - HA VAL 32 - HG2 GLU 48 lone 3 70 - 4 - HA SER 9 - HG2 GLU 16 lone 2 72 - 3 - HA ILE 76 - HG3 GLU 69 lone 2 72 - 2 - ~7249=1 HB THR 84 - HG2 GLU 16 lone 1 56 - 2 - ~9839=1 HA ALA 25 - HG2 GLU 16 lone 1 48 - 3 - HA SER 9 - HG3 GLU 69 lone 1 72 - 1 - HA MET 21 - HG2 GLU 16 lone 1 43 - 2 - HA ALA 25 - HG3 GLU 69 lone 1 48 - 2 - HA VAL 32 - HG2 GLU 16 lone 1 43 - 2 - HA MET 21 - HG3 GLU 69 lone 0 43 - 1 - HB THR 84 - HG3 GLU 69 lone 0 56 - 1 - HA VAL 32 - HG3 GLU 69 lone 0 43 - 1 - Peak 2246 from cnoeabs.peaks (2.30, 2.33, 35.74 ppm; 2.40 A): 3 out of 18 assignments used, quality = 0.95: * HB2 GLU 48 + HG2 GLU 48 OK 74 100 - 74 - 3.0=51, 2253/1.8=16...(15) HG3 GLU 16 + HG2 GLU 16 OK 72 72 - 100 - 1.8=100 HG3 GLU 16 + HG2 GLU 48 OK 32 100 - 33 - 722=9, 2253/1.8=5...(12) HB2 GLU 48 - HG2 GLU 16 OK 24 72 - 34 - 2234=9, 1.8/2241=5...(13) HG2 GLU 63 - HG2 GLU 16 OK 12 71 - 18 - 722=5, ~2797=2...(7) HG2 GLU 63 - HG2 GLU 48 lone 7 100 - 7 - 722=2, 2253/1.8=1 HG3 GLU 16 - HG3 GLU 69 lone 6 72 - 7 - 722=2 HB2 GLU 48 - HG3 GLU 69 lone 5 72 - 6 - 2234=2 HD3 ARG 81 - HG2 GLU 48 lone 3 92 - 4 - HB2 TYR 4 - HG2 GLU 48 lone 3 97 - 3 - HD3 ARG 81 - HG2 GLU 16 lone 2 61 - 4 - HB2 TYR 41 - HG2 GLU 48 lone 2 73 - 2 - HB2 TYR 4 - HG2 GLU 16 lone 1 66 - 2 - HB2 TYR 41 - HG2 GLU 16 lone 1 45 - 1 - HG2 GLU 63 - HG3 GLU 69 lone 1 71 - 1 - HB2 TYR 41 - HG3 GLU 69 lone 0 46 - 1 - HD3 ARG 81 - HG3 GLU 69 lone 0 61 - 0 - HB2 TYR 4 - HG3 GLU 69 lone 0 67 - 0 - Peak 2247 from cnoeabs.peaks (2.05, 2.33, 35.74 ppm; 2.97 A): 1 out of 33 assignments used, quality = 0.98: * HB3 GLU 48 + HG2 GLU 48 OK 98 100 - 98 - 3.0=96, 1.8/2234=22...(14) HB3 GLU 48 - HG2 GLU 16 OK 33 72 - 47 - 2241=10, 1.8/2234=10...(16) HB2 GLU 99 - HG2 GLU 48 OK 23 99 - 24 - 2241=4, 2233/3.0=3...(10) HB3 GLU 99 - HG2 GLU 48 OK 21 92 - 23 - 1.8/2241=3, 2233/3.0=3...(9) HB2 GLU 98 - HG2 GLU 48 OK 14 100 - 14 - 2241=2, 2233/3.0=2...(4) HB3 GLU 98 - HG2 GLU 48 OK 14 99 - 14 - 2241=2, 2233/3.0=2...(4) HB3 GLU 43 - HG2 GLU 48 poor 8 70 - 12 - 1.8/1967=2, 1975=2 HB3 GLU 48 - HG3 GLU 69 lone 7 72 - 9 - 2241=2, 1.8/2234=2, 3.0/2227=1 HB2 MET 21 - HG2 GLU 48 lone 6 100 - 6 - HG12 ILE 93 - HG2 GLU 48 lone 5 92 - 6 - 2233/3.0=1 HB3 GLU 43 - HG2 GLU 16 lone 4 43 - 8 - 1.8/1967=1, 1975=1 HB2 GLU 99 - HG2 GLU 16 lone 2 70 - 3 - HB2 MET 74 - HG2 GLU 16 lone 2 48 - 4 - HB2 MET 74 - HG2 GLU 48 lone 2 77 - 3 - HB3 GLU 99 - HG2 GLU 16 lone 2 61 - 3 - HB2 GLU 98 - HG2 GLU 16 lone 1 71 - 2 - HB3 GLU 98 - HG2 GLU 16 lone 1 70 - 2 - HB3 GLU 43 - HG3 GLU 69 lone 1 43 - 3 - HB2 MET 21 - HG2 GLU 16 lone 1 71 - 1 - HG12 ILE 93 - HG2 GLU 16 lone 1 61 - 1 - HB2 GLU 99 - HG3 GLU 69 lone 1 70 - 1 - HB2 MET 21 - HG3 GLU 69 lone 1 71 - 1 - HG3 GLU 28 - HG2 GLU 48 lone 1 73 - 1 - HG2 GLU 28 - HG2 GLU 48 lone 1 73 - 1 - HB2 GLU 98 - HG3 GLU 69 lone 0 71 - 1 - HB3 GLU 99 - HG3 GLU 69 lone 0 61 - 1 - HB3 GLU 98 - HG3 GLU 69 lone 0 70 - 1 - HB2 MET 74 - HG3 GLU 69 lone 0 48 - 1 - HG12 ILE 93 - HG3 GLU 69 lone 0 61 - 1 - HG2 GLU 28 - HG2 GLU 16 lone 0 45 - 1 - HG3 GLU 28 - HG2 GLU 16 lone 0 45 - 1 - HG2 GLU 28 - HG3 GLU 69 lone 0 46 - 0 - HG3 GLU 28 - HG3 GLU 69 lone 0 46 - 0 - Peak 2248 from cnoeabs.peaks (2.33, 2.33, 35.74 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLU 48 + HG2 GLU 48 OK 100 100 - 100 HG2 GLU 16 + HG2 GLU 16 OK 69 69 - 100 HG3 GLU 69 + HG3 GLU 69 OK 67 67 - 100 Peak 2249 from cnoeabs.peaks (2.43, 2.33, 35.74 ppm; 2.50 A): 1 out of 21 assignments used, quality = 1.00: * HG3 GLU 48 + HG2 GLU 48 OK 100 100 - 100 - 1.8=100 HG3 GLU 48 - HG2 GLU 16 OK 25 72 - 36 - 2255=9, 2253/1.8=6...(13) HG3 GLU 99 - HG2 GLU 48 OK 13 94 - 14 - 2255=2, 2235/3.0=2...(6) HG3 GLU 17 - HG2 GLU 48 OK 12 100 - 12 - 2255=3, 2235/3.0=2, 5.1/6252=2 HG3 GLN 50 - HG2 GLU 48 lone 9 100 - 9 - 2235/3.0=2, 2228/4.1=1 HG3 GLU 17 - HG2 GLU 16 lone 7 72 - 10 - 5.1/6252=2, 2255=2, 2253/1.8=2 HG3 GLU 48 - HG3 GLU 69 lone 5 72 - 6 - 2255=2 HB2 ASP 11 - HG2 GLU 48 lone 4 100 - 4 - HG2 GLN 72 - HG2 GLU 48 lone 4 99 - 4 - HG3 GLN 50 - HG2 GLU 16 lone 3 72 - 4 - HG2 GLN 72 - HG3 GLU 69 lone 3 69 - 4 - 3209/5.1=2, 9561/4.1=2 HG3 MET 1 - HG2 GLU 48 lone 3 90 - 3 - HG2 GLN 72 - HG2 GLU 16 lone 3 69 - 4 - HG3 GLU 99 - HG2 GLU 16 lone 1 63 - 2 - HG3 GLU 17 - HG3 GLU 69 lone 1 72 - 1 - HG3 GLN 50 - HG3 GLU 69 lone 1 72 - 1 - HG3 MET 1 - HG2 GLU 16 lone 1 58 - 1 - HB2 ASP 11 - HG2 GLU 16 lone 1 71 - 1 - HG3 GLU 99 - HG3 GLU 69 lone 0 63 - 1 - HG3 MET 1 - HG3 GLU 69 lone 0 59 - 0 - HB2 ASP 11 - HG3 GLU 69 lone 0 71 - 0 - Peak 2250 from cnoeabs.peaks (7.72, 2.33, 35.74 ppm; 4.77 A): 6 out of 15 assignments used, quality = 0.94: * H SER 49 + HG2 GLU 48 OK 80 100 - 80 - 6798/4.1=25, 6801=24...(9) H SER 49 + HG2 GLU 16 OK 40 72 - 56 - 6801=15, 3.6/2227=10...(11) H ASN 60 + HG2 GLU 48 OK 21 99 - 21 - 9412/3.0=6, 2229/4.1=4...(5) H ALA 25 + HG2 GLU 48 OK 20 77 - 26 - ~8625=6, 2236/3.0=4...(10) H LEU 64 + HG2 GLU 48 OK 19 96 - 20 - 2236/3.0=6, 2243/3.0=3...(5) H SER 49 + HG3 GLU 69 OK 10 72 - 14 - 6801=4, 3.6/2227=2...(5) H ASN 60 - HG2 GLU 16 poor 9 69 - 12 - 9412/1.8=5, 6970/4.1=2 H LEU 64 - HG2 GLU 16 poor 7 65 - 11 - 7033/1.8=7 H LEU 64 - HG3 GLU 69 poor 7 65 - 11 - 7041/5.1=3, 7036/3.0=2...(5) H GLU 37 - HG2 GLU 48 lone 5 73 - 6 - 6795/4.9=1, 2229/4.1=1 H ALA 25 - HG2 GLU 16 lone 2 48 - 4 - H GLU 37 - HG3 GLU 69 lone 1 46 - 3 - H ASN 60 - HG3 GLU 69 lone 1 69 - 2 - H ALA 25 - HG3 GLU 69 lone 1 48 - 2 - H GLU 37 - HG2 GLU 16 lone 1 45 - 2 - Peak 2251 from cnoeabs.peaks (7.62, 2.43, 35.74 ppm; 4.07 A): 3 out of 15 assignments used, quality = 0.95: * H GLU 48 + HG3 GLU 48 OK 89 100 - 89 - 4.9=57, 6793/1.8=23...(11) HD22 ASN 10 + HG3 GLU 48 OK 34 92 - 38 - 3.5/8360=7, 2230/3.0=6...(8) HE22 GLN 50 + HG3 GLU 48 OK 34 96 - 35 - 9087=6, 1.7/6825=5...(11) H GLU 48 - HG3 GLU 17 OK 20 84 - 24 - 6794=5, 4.0/2235=3...(8) HE22 GLN 50 - HG3 GLU 17 OK 15 76 - 20 - 9087=4, 1.7/6825=3...(8) H GLU 48 - HG3 GLU 99 OK 14 48 - 29 - 6794=6, 3.0/2228=4...(11) H GLU 44 - HG3 GLU 48 poor 10 81 - 12 - 2244/1.8=2, 2230/3.0=2...(4) H LYS 40 - HG3 GLU 48 lone 6 70 - 8 - 2230/3.0=1, 2223/4.1=1 HE22 GLN 50 - HG3 GLU 99 poor 6 43 - 13 - 9087=2, 1.7/6825=2...(6) HD22 ASN 10 - HG3 GLU 17 lone 5 72 - 7 - 3.5/8360=2, 3.5/8358=2 H GLU 44 - HG3 GLU 17 lone 4 61 - 7 - HD22 ASN 10 - HG3 GLU 99 lone 2 40 - 4 - H LYS 40 - HG3 GLU 17 lone 1 52 - 2 - H GLU 44 - HG3 GLU 99 lone 1 33 - 2 - H LYS 40 - HG3 GLU 99 lone 0 27 - 1 - Peak 2252 from cnoeabs.peaks (4.43, 2.43, 35.74 ppm; 4.12 A): 1 out of 21 assignments used, quality = 0.99: * HA GLU 48 + HG3 GLU 48 OK 99 100 - 99 - 4.1=99 HA ILE 76 - HG3 GLU 48 OK 30 100 - 30 - 2231/3.0=6, 3.2/9042=5...(8) HA GLU 48 - HG3 GLU 17 OK 19 84 - 22 - 2228=5, 3.0/2235=4...(6) HA GLU 48 - HG3 GLU 99 OK 17 48 - 36 - 2228=7, 3.0/2235=5...(12) HA SER 9 - HG3 GLU 48 OK 15 100 - 15 - 2231/3.0=3, 6790/4.9=2...(6) HA ALA 25 - HG3 GLU 48 OK 14 77 - 18 - 2.1/8625=5, 2231/3.0=3...(9) HA ILE 76 - HG3 GLU 17 lone 8 84 - 9 - 3.2/9042=2, ~9654=1...(4) HA MET 21 - HG3 GLU 48 poor 8 70 - 11 - 2231/3.0=2, 2238/3.0=1 HA SER 9 - HG3 GLU 17 lone 5 84 - 6 - 3.6/764=1 HB THR 84 - HG3 GLU 48 lone 4 87 - 4 - HA VAL 32 - HG3 GLU 48 lone 3 70 - 4 - HA VAL 32 - HG3 GLU 17 lone 3 52 - 5 - HA ALA 25 - HG3 GLU 17 lone 2 58 - 3 - 2.1/8625=1 HA MET 21 - HG3 GLU 17 lone 2 52 - 3 - ~6325=2 HA SER 9 - HG3 GLU 99 lone 2 48 - 3 - HA ILE 76 - HG3 GLU 99 lone 1 48 - 3 - HB THR 84 - HG3 GLU 17 lone 1 67 - 2 - HA MET 21 - HG3 GLU 99 lone 1 27 - 4 - HA ALA 25 - HG3 GLU 99 lone 1 31 - 3 - HB THR 84 - HG3 GLU 99 lone 0 36 - 1 - HA VAL 32 - HG3 GLU 99 lone 0 27 - 1 - Peak 2253 from cnoeabs.peaks (2.30, 2.43, 35.74 ppm; 2.42 A): 2 out of 18 assignments used, quality = 0.81: * HB2 GLU 48 + HG3 GLU 48 OK 74 100 - 74 - 3.0=52, 2234/1.8=16...(12) HG3 GLU 16 + HG3 GLU 48 OK 26 100 - 27 - 722/1.8=6, 1.8/2255=5...(9) HB2 GLU 48 - HG3 GLU 17 poor 9 84 - 11 - 2235=2, 6253/5.1=1, 3.0/2249=1 HB2 GLU 48 - HG3 GLU 99 poor 7 48 - 15 - 2235=3, 2233/3.0=2...(6) HG3 GLU 16 - HG3 GLU 17 lone 7 84 - 8 - 6253/5.1=3, 719/3.9=2 HG2 GLU 63 - HG3 GLU 48 lone 5 100 - 5 - 722/1.8=1 HD3 ARG 81 - HG3 GLU 48 lone 3 92 - 4 - HB2 TYR 4 - HG3 GLU 48 lone 3 97 - 3 - HB2 TYR 41 - HG3 GLU 48 lone 2 73 - 2 - HG2 GLU 63 - HG3 GLU 17 lone 1 83 - 2 - HG3 GLU 16 - HG3 GLU 99 lone 1 48 - 2 - HB2 TYR 4 - HG3 GLU 17 lone 0 78 - 1 - HD3 ARG 81 - HG3 GLU 17 lone 0 72 - 1 - HG2 GLU 63 - HG3 GLU 99 lone 0 47 - 1 - HB2 TYR 41 - HG3 GLU 17 lone 0 55 - 1 - HB2 TYR 4 - HG3 GLU 99 lone 0 44 - 1 - HD3 ARG 81 - HG3 GLU 99 lone 0 40 - 0 - HB2 TYR 41 - HG3 GLU 99 lone 0 29 - 0 - Peak 2254 from cnoeabs.peaks (2.05, 2.43, 35.74 ppm; 2.83 A): 2 out of 33 assignments used, quality = 0.96: * HB3 GLU 48 + HG3 GLU 48 OK 93 100 - 93 - 3.0=83, 1.8/2253=20...(14) HB2 GLU 99 + HG3 GLU 99 OK 43 47 - 92 - 3.0=86, 3.9/7612=7...(15) HB3 GLU 99 - HG3 GLU 99 OK 37 40 - 92 - 3.0=86, 3.9/7612=7...(15) HB2 GLU 99 - HG3 GLU 48 OK 21 99 - 22 - 2247/1.8=3, 2233/3.0=3...(10) HB3 GLU 99 - HG3 GLU 48 OK 21 92 - 23 - 2247/1.8=3, 2233/3.0=2...(11) HB2 GLU 98 - HG3 GLU 99 OK 19 47 - 41 - 4.6/7612=6, 3.0/4426=4...(19) HB3 GLU 98 - HG3 GLU 99 OK 19 47 - 40 - 4.6/7612=6, 3.0/4426=4...(19) HB3 GLU 98 - HG3 GLU 48 OK 12 99 - 12 - 2247/1.8=2, 2233/3.0=2...(4) HB2 GLU 98 - HG3 GLU 48 OK 12 100 - 12 - 2247/1.8=2, 2233/3.0=2...(4) HB3 GLU 48 - HG3 GLU 17 OK 11 84 - 14 - 1.8/2235=3, 3.0/2249=2...(6) HB3 GLU 48 - HG3 GLU 99 poor 9 48 - 18 - 1.8/2235=4, 3.0/2228=2...(6) HB2 MET 21 - HG3 GLU 48 lone 7 100 - 7 - HB3 GLU 43 - HG3 GLU 48 lone 6 70 - 9 - ~1967=1, 1975/1.8=1 HG12 ILE 93 - HG3 GLU 48 lone 5 92 - 6 - HB2 GLU 99 - HG3 GLU 17 lone 5 82 - 6 - HB3 GLU 99 - HG3 GLU 17 lone 4 72 - 6 - HB2 MET 74 - HG3 GLU 17 lone 2 58 - 4 - HB2 GLU 98 - HG3 GLU 17 lone 2 83 - 2 - HB3 GLU 98 - HG3 GLU 17 lone 2 82 - 2 - HB2 MET 74 - HG3 GLU 48 lone 2 77 - 2 - HB2 MET 21 - HG3 GLU 17 lone 1 83 - 1 - HG12 ILE 93 - HG3 GLU 99 lone 1 40 - 2 - HB2 MET 21 - HG3 GLU 99 lone 1 47 - 2 - HB3 GLU 43 - HG3 GLU 17 lone 1 52 - 1 - HG12 ILE 93 - HG3 GLU 17 lone 1 72 - 1 - HG3 GLU 28 - HG3 GLU 48 lone 0 73 - 1 - HG2 GLU 28 - HG3 GLU 48 lone 0 73 - 1 - HG2 GLU 28 - HG3 GLU 17 lone 0 55 - 0 - HG3 GLU 28 - HG3 GLU 17 lone 0 55 - 0 - HB2 MET 74 - HG3 GLU 99 lone 0 31 - 1 - HB3 GLU 43 - HG3 GLU 99 lone 0 27 - 1 - HG3 GLU 28 - HG3 GLU 99 lone 0 29 - 0 - HG2 GLU 28 - HG3 GLU 99 lone 0 29 - 0 - Peak 2255 from cnoeabs.peaks (2.33, 2.43, 35.74 ppm; 2.40 A): 1 out of 15 assignments used, quality = 1.00: * HG2 GLU 48 + HG3 GLU 48 OK 100 100 - 100 - 1.8=100 HG2 GLU 16 - HG3 GLU 48 OK 30 99 - 31 - 2249=6, 1.8/2253=5...(12) HG2 GLU 48 - HG3 GLU 17 poor 10 84 - 11 - 2249=3, 3.0/2235=1, 6252/5.1=1 HG2 GLU 16 - HG3 GLU 17 lone 7 81 - 9 - 6252/5.1=2, 712/3.9=2...(4) HG2 GLU 48 - HG3 GLU 99 poor 7 48 - 14 - 2249=3, 3.0/2235=2...(4) HG3 GLU 43 - HG3 GLU 48 lone 6 90 - 7 - 2234/3.0=1 HG3 GLU 69 - HG3 GLU 48 lone 5 97 - 5 - 2249=1 HB2 TYR 41 - HG3 GLU 48 lone 1 61 - 2 - HG3 GLU 69 - HG3 GLU 17 lone 1 78 - 1 - HG3 GLU 43 - HG3 GLU 17 lone 1 70 - 1 - HG2 GLU 16 - HG3 GLU 99 lone 1 46 - 2 - HG3 GLU 69 - HG3 GLU 99 lone 0 44 - 1 - HB2 TYR 41 - HG3 GLU 17 lone 0 45 - 1 - HG3 GLU 43 - HG3 GLU 99 lone 0 38 - 1 - HB2 TYR 41 - HG3 GLU 99 lone 0 23 - 0 - Peak 2256 from cnoeabs.peaks (2.43, 2.43, 35.74 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 48 + HG3 GLU 48 OK 100 100 - 100 HG3 GLU 17 + HG3 GLU 17 OK 84 84 - 100 HG3 GLU 99 - HG3 GLU 99 OK 41 41 - 100 Peak 2257 from cnoeabs.peaks (7.72, 2.43, 35.74 ppm; 5.99 A): 3 out of 15 assignments used, quality = 0.95: * H SER 49 + HG3 GLU 48 OK 89 100 - 89 - 6798/4.1=32, 6795/4.9=27...(14) H LEU 64 + HG3 GLU 48 OK 33 96 - 34 - 2236/3.0=8, 2243/3.0=4...(9) H SER 49 + HG3 GLU 17 OK 33 84 - 39 - 6802=7, 4.6/6816=5...(10) H ASN 60 - HG3 GLU 48 OK 31 99 - 31 - 9412/3.0=8, 2229/4.1=6...(6) H ALA 25 - HG3 GLU 48 OK 29 77 - 38 - 2.9/8625=11, 2236/3.0=5...(10) H SER 49 - HG3 GLU 99 OK 17 48 - 36 - 3.6/2228=6, 4.6/2235=6...(9) H LEU 64 - HG3 GLU 17 poor 8 76 - 11 - 4.5/9042=1, 4.8/10183=1 H ASN 60 - HG3 GLU 17 lone 8 81 - 10 - 6970/3.9=1 H GLU 37 - HG3 GLU 48 lone 7 73 - 10 - 6795/4.9=2, 2229/4.1=2...(5) H LEU 64 - HG3 GLU 99 poor 7 43 - 15 - 7028/4.1=5, 7042/4.7=3 H ALA 25 - HG3 GLU 17 lone 5 58 - 9 - 2.9/8625=3 H GLU 37 - HG3 GLU 17 lone 3 55 - 5 - H ASN 60 - HG3 GLU 99 lone 3 46 - 5 - H ALA 25 - HG3 GLU 99 lone 2 31 - 7 - 2.9/8625=2 H GLU 37 - HG3 GLU 99 lone 1 29 - 3 - Peak 2258 from cnoeabs.peaks (7.72, 4.24, 59.37 ppm; 3.62 A): 1 out of 5 assignments used, quality = 1.00: * H SER 49 + HA SER 49 OK 100 100 - 100 - 2.9=100 H LEU 64 - HA SER 49 OK 19 96 - 20 - 4.5/9056=4, 2268/3.0=3...(7) H ALA 25 - HA SER 49 OK 13 77 - 16 - 3.0/9075=3, 2263/3.0=3...(6) H ASN 60 - HA SER 49 OK 11 99 - 11 - 6808/3.6=3, 2268/3.0=2...(4) H GLU 37 - HA SER 49 lone 3 73 - 5 - Peak 2259 from cnoeabs.peaks (4.24, 4.24, 59.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 49 + HA SER 49 OK 100 100 - 100 Peak 2260 from cnoeabs.peaks (4.06, 4.24, 59.37 ppm; 2.99 A): 1 out of 5 assignments used, quality = 0.98: * HB2 SER 49 + HA SER 49 OK 98 100 - 98 - 3.0=96, 6804/2.9=12...(7) HA LYS 20 - HA SER 49 OK 11 98 - 11 - 2270/3.0=2, 6804/2.9=1 HA GLU 17 - HA SER 49 OK 10 99 - 10 - 6804/2.9=2, 6810/3.6=2...(4) HA ARG 46 - HA SER 49 poor 9 73 - 12 - 3.6/9078=2, 6804/2.9=2...(4) HA GLU 16 - HA SER 49 lone 8 84 - 9 - 6804/2.9=2, 3.0/9051=2...(5) Peak 2261 from cnoeabs.peaks (3.86, 4.24, 59.37 ppm; 3.26 A): 1 out of 9 assignments used, quality = 1.00: * HB3 SER 49 + HA SER 49 OK 100 100 - 100 - 3.0=100 HA LYS 40 - HA SER 49 OK 14 96 - 14 - 6805/2.9=2, 2266/3.0=2...(4) HA LYS 12 - HA SER 49 OK 13 100 - 13 - 380/3.6=2, 6805/2.9=2...(4) HA LYS 94 - HA SER 49 lone 7 94 - 8 - 3.0/9052=1, 6805/2.9=1 HA LEU 38 - HA SER 49 lone 7 70 - 10 - 3.8/9056=2 HA ALA 67 - HA SER 49 lone 4 100 - 4 - HA ALA 71 - HA SER 49 lone 3 90 - 3 - HA2 GLY 101 - HA SER 49 lone 3 94 - 3 - HA2 GLY 100 - HA SER 49 lone 3 94 - 3 - Peak 2262 from cnoeabs.peaks (8.55, 4.24, 59.37 ppm; 3.51 A): 1 out of 4 assignments used, quality = 0.98: * H GLN 50 + HA SER 49 OK 98 100 - 98 - 3.6=95, 6808/2.9=15...(11) H ASN 51 - HA SER 49 OK 31 81 - 39 - 3.6/9075=9, 9110=7...(8) H VAL 58 - HA SER 49 OK 14 98 - 14 - 6806/2.9=4, 4.0/9058=2...(5) H LYS 12 - HA SER 49 OK 11 81 - 13 - 2.9/2261=3, 6806/2.9=2...(5) Peak 2263 from cnoeabs.peaks (7.72, 4.06, 63.12 ppm; 3.94 A): 1 out of 5 assignments used, quality = 1.00: * H SER 49 + HB2 SER 49 OK 100 100 - 100 - 3.9=100 H ALA 25 - HB2 SER 49 OK 16 77 - 20 - 2268/1.8=4, ~10334=3...(9) H LEU 64 - HB2 SER 49 OK 15 96 - 16 - 2268/1.8=4, 2258/3.0=4...(4) H ASN 60 - HB2 SER 49 poor 10 99 - 10 - 2268/1.8=3, 6808/4.3=3 H GLU 37 - HB2 SER 49 lone 4 73 - 6 - 2268/1.8=1 Peak 2264 from cnoeabs.peaks (4.24, 4.06, 63.12 ppm; 3.16 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 49 + HB2 SER 49 OK 100 100 - 100 - 3.0=100 HB THR 31 - HB2 SER 49 lone 10 99 - 10 - 2269/1.8=3, 6803/3.9=2...(4) Peak 2265 from cnoeabs.peaks (4.06, 4.06, 63.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 49 + HB2 SER 49 OK 100 100 - 100 Peak 2266 from cnoeabs.peaks (3.86, 4.06, 63.12 ppm; 2.62 A): 1 out of 9 assignments used, quality = 1.00: * HB3 SER 49 + HB2 SER 49 OK 100 100 - 100 - 1.8=100 HA LYS 40 - HB2 SER 49 lone 9 96 - 9 - 2261/3.0=1, 6805/3.9=1 HA LYS 12 - HB2 SER 49 lone 7 100 - 7 - 2261/3.0=1, 380/4.3=1 HA LYS 94 - HB2 SER 49 lone 4 94 - 4 - HA LEU 38 - HB2 SER 49 lone 3 70 - 4 - HA ALA 67 - HB2 SER 49 lone 2 100 - 2 - HA ALA 71 - HB2 SER 49 lone 2 90 - 2 - HA2 GLY 101 - HB2 SER 49 lone 2 94 - 2 - HA2 GLY 100 - HB2 SER 49 lone 1 94 - 2 - Peak 2267 from cnoeabs.peaks (8.55, 4.06, 63.12 ppm; 4.36 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 50 + HB2 SER 49 OK 100 100 - 100 - 4.3=100 H ASN 51 - HB2 SER 49 OK 33 81 - 41 - 9110/3.0=14, 3.6/9074=10...(6) H VAL 58 - HB2 SER 49 OK 17 98 - 17 - 6806/3.9=5, 2272/1.8=4...(4) H LYS 12 - HB2 SER 49 OK 12 81 - 15 - 2272/1.8=4, 6806/3.9=3...(5) Peak 2268 from cnoeabs.peaks (7.72, 3.86, 63.12 ppm; 3.88 A): 1 out of 5 assignments used, quality = 0.98: * H SER 49 + HB3 SER 49 OK 98 100 - 98 - 3.9=96, 6804/1.8=25...(6) H LEU 64 - HB3 SER 49 OK 16 96 - 17 - 4.5/9071=4, 2258/3.0=4...(4) H ALA 25 - HB3 SER 49 OK 14 77 - 18 - 2.9/10334=5, 2263/1.8=4...(6) H ASN 60 - HB3 SER 49 poor 10 99 - 10 - 2263/1.8=3, 6808/4.3=3 H GLU 37 - HB3 SER 49 lone 5 73 - 6 - 2263/1.8=1, 4.1/9068=1 Peak 2269 from cnoeabs.peaks (4.24, 3.86, 63.12 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 49 + HB3 SER 49 OK 100 100 - 100 - 3.0=100 HB THR 31 - HB3 SER 49 OK 11 99 - 11 - 2264/1.8=3, 6803/3.9=2...(5) Peak 2270 from cnoeabs.peaks (4.06, 3.86, 63.12 ppm; 2.61 A): 1 out of 5 assignments used, quality = 1.00: * HB2 SER 49 + HB3 SER 49 OK 100 100 - 100 - 1.8=100 HA LYS 20 - HB3 SER 49 lone 9 98 - 9 - 2260/3.0=1 HA GLU 17 - HB3 SER 49 lone 7 99 - 7 - 2260/3.0=1 HA ARG 46 - HB3 SER 49 lone 6 73 - 8 - 2260/3.0=1 HA GLU 16 - HB3 SER 49 lone 5 84 - 6 - 6804/3.9=1 Peak 2271 from cnoeabs.peaks (3.86, 3.86, 63.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 49 + HB3 SER 49 OK 100 100 - 100 Peak 2272 from cnoeabs.peaks (8.55, 3.86, 63.12 ppm; 4.45 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 50 + HB3 SER 49 OK 100 100 - 100 - 4.3=100 H ASN 51 - HB3 SER 49 OK 28 81 - 35 - 9110/3.0=14, 9108=9...(5) H VAL 58 - HB3 SER 49 OK 19 98 - 19 - 6806/3.9=5, 2267/1.8=4...(4) H LYS 12 - HB3 SER 49 OK 18 81 - 22 - 2267/1.8=3, 6151=3...(8) Peak 2273 from cnoeabs.peaks (8.55, 4.40, 56.27 ppm; 3.45 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 50 + HA GLN 50 OK 100 100 - 100 - 3.0=100 H ASN 51 + HA GLN 50 OK 75 81 - 93 - 3.6=90, 6829/3.0=9...(8) H VAL 58 - HA GLN 50 lone 9 98 - 9 - ~2649=2, 2281/3.0=1...(5) H LYS 12 - HA GLN 50 lone 7 81 - 9 - ~380=1, ~6811=1, 2305/3.7=1 Peak 2274 from cnoeabs.peaks (4.40, 4.40, 56.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 50 + HA GLN 50 OK 100 100 - 100 Peak 2275 from cnoeabs.peaks (2.02, 4.40, 56.27 ppm; 3.40 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLN 50 + HA GLN 50 OK 100 100 - 100 - 3.0=100 HB3 LYS 94 - HA GLN 50 OK 16 100 - 16 - 6813/3.0=3, 2291/3.0=2...(5) HB3 GLU 17 - HA GLN 50 OK 13 70 - 18 - 6813/3.0=2, 3.0/2278=2...(9) HG12 ILE 93 - HA GLN 50 poor 9 81 - 11 - 2299/3.7=2, 2291/3.0=2...(5) HB3 GLU 99 - HA GLN 50 poor 9 81 - 10 - 6813/3.0=1, 3.0/2278=1...(4) HB2 GLU 62 - HA GLN 50 lone 4 96 - 4 - HB2 GLU 35 - HA GLN 50 lone 2 73 - 3 - Peak 2276 from cnoeabs.peaks (2.17, 4.40, 56.27 ppm; 3.40 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 50 + HA GLN 50 OK 100 100 - 100 - 3.0=100 HB2 GLN 72 - HA GLN 50 OK 30 90 - 34 - 2284/3.0=5, 2300/3.7=4...(16) HG3 GLU 75 - HA GLN 50 OK 20 100 - 20 - 4.0/9624=3, 3.0/9623=2...(10) HG2 GLU 75 - HA GLN 50 OK 20 100 - 20 - 4.0/9624=3, 3.0/9623=2...(10) HB3 GLU 16 - HA GLN 50 OK 18 94 - 19 - 6814/3.0=3, 2290=3...(7) HB3 GLU 75 - HA GLN 50 OK 15 77 - 19 - 2.9/9624=3, 1.8/9623=3...(7) HG2 GLU 43 - HA GLN 50 lone 3 81 - 4 - HB3 GLU 95 - HA GLN 50 lone 2 73 - 3 - Peak 2277 from cnoeabs.peaks (2.40, 4.40, 56.27 ppm; 3.72 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLN 50 + HA GLN 50 OK 100 100 - 100 - 3.7=98, 1.8/2278=17...(14) HB3 MET 21 + HA GLN 50 OK 48 100 - 48 - 2285/3.0=8, 2293/3.0=7...(19) HG3 MET 21 - HA GLN 50 OK 42 100 - 42 - 2285/3.0=7, 6815/3.0=6...(16) HG3 MET 1 - HA GLN 50 lone 3 65 - 5 - 6831/3.6=2 Peak 2278 from cnoeabs.peaks (2.43, 4.40, 56.27 ppm; 3.68 A): 1 out of 7 assignments used, quality = 0.98: * HG3 GLN 50 + HA GLN 50 OK 98 100 - 98 - 3.7=95, 1.8/2277=19...(14) HG2 GLN 72 - HA GLN 50 OK 38 97 - 40 - 2286/3.0=6, 2306=6...(15) HG3 GLU 48 - HA GLN 50 OK 31 100 - 31 - 6816/3.0=6, 4.9/9096=4...(11) HG3 GLU 17 - HA GLN 50 OK 19 100 - 19 - 6816/3.0=3, 2286/3.0=3...(7) HB2 ASP 11 - HA GLN 50 OK 13 100 - 12 - 374/3.0=3, ~379=2...(4) HG3 GLU 99 - HA GLN 50 OK 11 97 - 11 - 6816/3.0=2, 3.0/2275=2...(6) HG3 MET 1 - HA GLN 50 lone 6 84 - 7 - 6832/3.6=2 Peak 2280 from cnoeabs.peaks (8.53, 4.40, 56.27 ppm; 3.45 A): 2 out of 3 assignments used, quality = 0.99: * H ASN 51 + HA GLN 50 OK 94 100 - 94 - 3.6=90, 6829/3.0=14...(8) H GLN 50 + HA GLN 50 OK 81 81 - 100 - 3.0=100 H VAL 58 - HA GLN 50 lone 8 96 - 8 - ~2649=2, 2288/3.0=1...(5) Peak 2281 from cnoeabs.peaks (8.55, 2.02, 28.95 ppm; 3.63 A): 2 out of 4 assignments used, quality = 0.95: * H GLN 50 + HB2 GLN 50 OK 88 100 - 89 - 4.0=74, 2289/1.8=17...(9) H ASN 51 + HB2 GLN 50 OK 57 81 - 71 - 4.6=48, 6830/1.8=13...(7) H VAL 58 - HB2 GLN 50 lone 9 98 - 9 - 2289/1.8=2, 2297/2.9=2...(4) H LYS 12 - HB2 GLN 50 lone 6 81 - 8 - 2305/2.9=1, 2289/1.8=1...(4) Peak 2282 from cnoeabs.peaks (4.40, 2.02, 28.95 ppm; 3.51 A): 1 out of 7 assignments used, quality = 1.00: * HA GLN 50 + HB2 GLN 50 OK 100 100 - 100 - 3.0=100 HA MET 21 - HB2 GLN 50 OK 35 84 - 42 - 3.0/2285=7, 2290/1.8=7...(17) HA MET 74 - HB2 GLN 50 OK 16 99 - 16 - 10865/1.8=4, 2298/2.9=2...(5) HA VAL 32 - HB2 GLN 50 lone 7 84 - 9 - 2290/1.8=1, 6828/4.6=1 HA ALA 25 - HB2 GLN 50 lone 6 77 - 8 - ~8625=1, 2290/1.8=1 HA HIS 106 - HB2 GLN 50 lone 5 94 - 5 - 2290/1.8=1 HA SER 102 - HB2 GLN 50 lone 1 65 - 2 - Peak 2283 from cnoeabs.peaks (2.02, 2.02, 28.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 50 + HB2 GLN 50 OK 100 100 - 100 Peak 2284 from cnoeabs.peaks (2.17, 2.02, 28.95 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 50 + HB2 GLN 50 OK 100 100 - 100 - 1.8=100 HB2 GLN 72 - HB2 GLN 50 OK 22 90 - 24 - 3.0/2286=3, 2300/2.9=3...(10) HB3 GLU 16 - HB2 GLN 50 lone 9 94 - 10 - 2291=2, 2276/3.0=1...(4) HG3 GLU 75 - HB2 GLN 50 lone 8 100 - 8 - 2276/3.0=1 HG2 GLU 75 - HB2 GLN 50 lone 8 100 - 8 - 2276/3.0=1 HB3 GLU 75 - HB2 GLN 50 lone 6 77 - 8 - HG2 GLU 43 - HB2 GLN 50 lone 2 81 - 2 - HB3 GLU 95 - HB2 GLN 50 lone 1 73 - 2 - Peak 2285 from cnoeabs.peaks (2.40, 2.02, 28.95 ppm; 3.21 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 50 + HB2 GLN 50 OK 100 100 - 100 - 2.9=100 HB3 MET 21 - HB2 GLN 50 OK 43 100 - 43 - 2293/1.8=8, 2277/3.0=5...(19) HG3 MET 21 - HB2 GLN 50 OK 37 100 - 37 - 2293/1.8=7, 2277/3.0=5...(16) HG3 MET 1 - HB2 GLN 50 lone 3 65 - 5 - Peak 2286 from cnoeabs.peaks (2.43, 2.02, 28.95 ppm; 3.18 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLN 50 + HB2 GLN 50 OK 100 100 - 100 - 2.9=100 HG2 GLN 72 - HB2 GLN 50 OK 43 97 - 45 - 2307=6, 2294/1.8=6...(24) HG3 GLU 48 - HB2 GLN 50 OK 21 100 - 21 - 6816/4.0=3, 2278/3.0=3...(7) HG3 GLU 17 - HB2 GLN 50 OK 19 100 - 19 - 2294/1.8=3, 2278/3.0=2...(8) HG3 GLU 99 - HB2 GLN 50 OK 11 97 - 11 - 2294/1.8=1, 2302/2.9=1 HB2 ASP 11 - HB2 GLN 50 lone 10 100 - 9 - 374/4.0=2, 2294/1.8=1 HG3 MET 1 - HB2 GLN 50 lone 6 84 - 7 - 6832/4.6=1 Peak 2288 from cnoeabs.peaks (8.53, 2.02, 28.95 ppm; 3.63 A): 2 out of 3 assignments used, quality = 0.93: * H ASN 51 + HB2 GLN 50 OK 77 100 - 77 - 4.6=48, 6830/1.8=19...(8) H GLN 50 + HB2 GLN 50 OK 70 81 - 87 - 4.0=74, 2296/1.8=14...(9) H VAL 58 - HB2 GLN 50 lone 9 96 - 9 - 2296/1.8=2, 2304/2.9=2...(4) Peak 2289 from cnoeabs.peaks (8.55, 2.17, 28.95 ppm; 3.76 A): 2 out of 8 assignments used, quality = 0.97: * H GLN 50 + HB3 GLN 50 OK 93 100 - 93 - 4.0=82, 6813/1.8=26...(9) H ASN 51 + HB3 GLN 50 OK 60 81 - 75 - 4.6=53, 6829/1.8=14...(7) H GLN 50 - HB3 GLU 16 OK 12 49 - 24 - 6814=6, 10630/3.0=3...(9) H VAL 58 - HB3 GLN 50 OK 10 98 - 10 - 2281/1.8=2, 2297/2.9=2...(6) H LYS 12 - HB3 GLN 50 lone 7 81 - 8 - 2305/2.9=2, 2281/1.8=2...(4) H ASN 51 - HB3 GLU 16 poor 4 33 - 11 - 6830=2, 3.6/2276=2...(5) H VAL 58 - HB3 GLU 16 lone 1 46 - 2 - H LYS 12 - HB3 GLU 16 lone 1 33 - 3 - Peak 2290 from cnoeabs.peaks (4.40, 2.17, 28.95 ppm; 3.45 A): 1 out of 14 assignments used, quality = 1.00: * HA GLN 50 + HB3 GLN 50 OK 100 100 - 100 - 3.0=100 HA MET 21 - HB3 GLN 50 OK 35 84 - 41 - 2282/1.8=7, 3.0/2293=6...(17) HA MET 74 - HB3 GLN 50 OK 20 99 - 20 - 10865=4, 2282/1.8=3...(7) HA GLN 50 - HB3 GLU 16 OK 10 49 - 21 - 2276=4, 3.0/6814=3...(7) HA VAL 32 - HB3 GLN 50 lone 7 84 - 9 - 2282/1.8=2, 6828/4.6=1 HA ALA 25 - HB3 GLN 50 lone 6 77 - 8 - ~8625=1, 2282/1.8=1 HA HIS 106 - HB3 GLN 50 lone 5 94 - 6 - 2282/1.8=1 HA MET 74 - HB3 GLU 16 poor 5 47 - 12 - 10865=2, 3328/1.8=2...(4) HA MET 21 - HB3 GLU 16 lone 2 35 - 6 - 4.4/8584=1, ~6323=1, ~6318=1 HA SER 102 - HB3 GLN 50 lone 1 65 - 2 - HA SER 102 - HB3 GLU 16 lone 1 26 - 5 - ~702=1 HA VAL 32 - HB3 GLU 16 lone 1 35 - 2 - HA HIS 106 - HB3 GLU 16 lone 0 42 - 1 - HA ALA 25 - HB3 GLU 16 lone 0 31 - 1 - Peak 2291 from cnoeabs.peaks (2.02, 2.17, 28.95 ppm; 2.50 A): 1 out of 14 assignments used, quality = 1.00: * HB2 GLN 50 + HB3 GLN 50 OK 100 100 - 100 - 1.8=100 HB3 LYS 94 - HB3 GLN 50 lone 10 100 - 9 - 2299/2.9=1, 2275/3.0=1 HB3 GLU 17 - HB3 GLN 50 poor 7 70 - 10 - 3.0/2294=1, 2275/3.0=1 HG12 ILE 93 - HB3 GLN 50 lone 7 81 - 9 - 2299/2.9=1 HB2 GLN 50 - HB3 GLU 16 poor 5 49 - 11 - 2284=3, 3.0/2276=1...(4) HB3 GLU 99 - HB3 GLN 50 lone 5 81 - 6 - HB3 GLU 17 - HB3 GLU 16 poor 4 28 - 14 - 4.0/6251=4, ~697=2...(4) HB2 GLU 62 - HB3 GLN 50 lone 3 96 - 3 - HB2 GLU 35 - HB3 GLU 16 lone 2 29 - 7 - 1.8/699=1 HB2 GLU 35 - HB3 GLN 50 lone 1 73 - 2 - HB2 GLU 62 - HB3 GLU 16 lone 1 43 - 3 - HB3 LYS 94 - HB3 GLU 16 lone 0 49 - 1 - HB3 GLU 99 - HB3 GLU 16 lone 0 33 - 1 - HG12 ILE 93 - HB3 GLU 16 lone 0 33 - 0 - Peak 2292 from cnoeabs.peaks (2.17, 2.17, 28.95 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 50 + HB3 GLN 50 OK 100 100 - 100 HB3 GLU 16 - HB3 GLU 16 OK 42 42 - 100 Peak 2293 from cnoeabs.peaks (2.40, 2.17, 28.95 ppm; 3.25 A): 1 out of 8 assignments used, quality = 1.00: * HG2 GLN 50 + HB3 GLN 50 OK 100 100 - 100 - 2.9=100 HB3 MET 21 - HB3 GLN 50 OK 43 100 - 43 - 2285/1.8=8, 2277/3.0=5...(19) HG3 MET 21 - HB3 GLN 50 OK 37 100 - 37 - 2285/1.8=7, 2277/3.0=5...(16) HG2 GLN 50 - HB3 GLU 16 poor 7 49 - 15 - 2300=4, 2.9/2284=2...(5) HG3 MET 1 - HB3 GLN 50 lone 3 65 - 5 - HB3 MET 21 - HB3 GLU 16 lone 1 49 - 2 - HG3 MET 21 - HB3 GLU 16 lone 1 49 - 2 - HG3 MET 1 - HB3 GLU 16 lone 0 26 - 2 - Peak 2294 from cnoeabs.peaks (2.43, 2.17, 28.95 ppm; 3.30 A): 2 out of 14 assignments used, quality = 1.00: * HG3 GLN 50 + HB3 GLN 50 OK 100 100 - 100 - 2.9=100 HG2 GLN 72 + HB3 GLN 50 OK 46 97 - 48 - 2286/1.8=7, 2302/2.9=6...(25) HG3 GLU 17 - HB3 GLN 50 OK 21 100 - 21 - 2286/1.8=3, 2278/3.0=2...(8) HG3 GLU 48 - HB3 GLN 50 OK 21 100 - 21 - 2286/1.8=4, 6816/4.0=4...(8) HG3 GLU 48 - HB3 GLU 16 OK 20 49 - 42 - 2253/3.0=6, 2255/3.0=6...(19) HG3 GLU 99 - HB3 GLN 50 OK 11 97 - 11 - 2286/1.8=2, 2278/3.0=1...(5) HG3 GLU 17 - HB3 GLU 16 OK 11 49 - 22 - 6258/4.6=6, 759/3.0=2...(9) HB2 ASP 11 - HB3 GLN 50 OK 10 100 - 10 - 374/4.0=2, 2286/1.8=2...(4) HG3 GLN 50 - HB3 GLU 16 poor 8 49 - 16 - 1.8/2300=3, 2.9/2284=2...(5) HG2 GLN 72 - HB3 GLU 16 poor 7 45 - 15 - 6258/4.6=2, 3211=2...(5) HG3 MET 1 - HB3 GLN 50 lone 6 84 - 7 - 6832/4.6=1, 2286/1.8=1 HG3 MET 1 - HB3 GLU 16 lone 2 35 - 5 - 6258/4.6=2 HG3 GLU 99 - HB3 GLU 16 lone 1 45 - 3 - HB2 ASP 11 - HB3 GLU 16 lone 1 49 - 2 - 8376/4.6=1 Peak 2296 from cnoeabs.peaks (8.53, 2.17, 28.95 ppm; 3.76 A): 2 out of 6 assignments used, quality = 0.95: * H ASN 51 + HB3 GLN 50 OK 80 100 - 80 - 4.6=53, 6829/1.8=21...(8) H GLN 50 + HB3 GLN 50 OK 74 81 - 92 - 4.0=82, 6813/1.8=18...(9) H VAL 58 - HB3 GLN 50 OK 10 96 - 10 - 2288/1.8=2, 2304/2.9=2...(5) H GLN 50 - HB3 GLU 16 poor 7 33 - 22 - 6814=4, 10807/3.0=3...(9) H ASN 51 - HB3 GLU 16 poor 6 49 - 13 - 6830=4, 3.6/2276=2...(5) H VAL 58 - HB3 GLU 16 lone 1 43 - 2 - Peak 2297 from cnoeabs.peaks (8.55, 2.40, 33.91 ppm; 4.06 A): 3 out of 4 assignments used, quality = 0.92: * H GLN 50 + HG2 GLN 50 OK 84 100 - 84 - 5.1=50, 6813/2.9=23...(9) H ASN 51 + HG2 GLN 50 OK 47 81 - 58 - 3.6/2277=15, 6829/2.9=13...(8) H VAL 58 + HG2 GLN 50 OK 11 98 - 11 - 2305/1.8=2, 2281/2.9=2...(5) H LYS 12 - HG2 GLN 50 lone 7 81 - 9 - 2305/1.8=2, 2281/2.9=1...(5) Peak 2298 from cnoeabs.peaks (4.40, 2.40, 33.91 ppm; 3.93 A): 1 out of 7 assignments used, quality = 1.00: * HA GLN 50 + HG2 GLN 50 OK 100 100 - 100 - 3.7=100 HA MET 21 - HG2 GLN 50 OK 36 84 - 44 - 2282/2.9=7, 2290/2.9=6...(16) HA MET 74 - HG2 GLN 50 OK 16 99 - 16 - 10865/2.9=4, 2282/2.9=3...(5) HA VAL 32 - HG2 GLN 50 lone 8 84 - 9 - 2282/2.9=1, 2290/2.9=1...(4) HA ALA 25 - HG2 GLN 50 lone 7 77 - 9 - ~8625=2, 2282/2.9=1...(4) HA HIS 106 - HG2 GLN 50 lone 6 94 - 6 - 2282/2.9=1 HA SER 102 - HG2 GLN 50 lone 1 65 - 2 - Peak 2299 from cnoeabs.peaks (2.02, 2.40, 33.91 ppm; 3.44 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLN 50 + HG2 GLN 50 OK 100 100 - 100 - 2.9=100 HB3 LYS 94 - HG2 GLN 50 OK 17 100 - 17 - 2307/1.8=3, 2291/2.9=2...(5) HG12 ILE 93 - HG2 GLN 50 OK 15 81 - 19 - 3.2/10013=2, 2307/1.8=2...(8) HB3 GLU 17 - HG2 GLN 50 OK 12 70 - 18 - 2307/1.8=2, 3.0/2302=2...(7) HB3 GLU 99 - HG2 GLN 50 poor 10 81 - 12 - 2307/1.8=2, 3.0/2302=1...(4) HB2 GLU 62 - HG2 GLN 50 lone 4 96 - 4 - HB2 GLU 35 - HG2 GLN 50 lone 2 73 - 3 - Peak 2300 from cnoeabs.peaks (2.17, 2.40, 33.91 ppm; 3.22 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 50 + HG2 GLN 50 OK 100 100 - 100 - 2.9=100 HB2 GLN 72 - HG2 GLN 50 OK 34 90 - 39 - 3.0/2302=5, 3195/1.8=5...(18) HB3 GLU 16 - HG2 GLN 50 OK 13 94 - 13 - 2284/2.9=2, 2293=2...(5) HG3 GLU 75 - HG2 GLN 50 lone 10 100 - 10 - 2276/3.7=2, 2284/2.9=2 HG2 GLU 75 - HG2 GLN 50 lone 10 100 - 10 - 2276/3.7=2, 2284/2.9=2 HB3 GLU 75 - HG2 GLN 50 lone 7 77 - 9 - 2276/3.7=1, 2284/2.9=1 HG2 GLU 43 - HG2 GLN 50 lone 2 81 - 2 - HB3 GLU 95 - HG2 GLN 50 lone 2 73 - 3 - Peak 2301 from cnoeabs.peaks (2.40, 2.40, 33.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 50 + HG2 GLN 50 OK 100 100 - 100 Peak 2302 from cnoeabs.peaks (2.43, 2.40, 33.91 ppm; 2.40 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLN 50 + HG2 GLN 50 OK 100 100 - 100 - 1.8=100 HG2 GLN 72 - HG2 GLN 50 OK 27 97 - 29 - 2309=7, 2286/2.9=3...(12) HG3 GLU 48 - HG2 GLN 50 OK 10 100 - 10 - 9087/3.5=1, 2286/2.9=1...(6) HG3 GLU 17 - HG2 GLN 50 lone 9 100 - 9 - 2286/2.9=1, 2294/2.9=1 HG3 GLU 99 - HG2 GLN 50 lone 5 97 - 5 - HB2 ASP 11 - HG2 GLN 50 lone 5 100 - 5 - HG3 MET 1 - HG2 GLN 50 lone 3 84 - 3 - Peak 2304 from cnoeabs.peaks (8.53, 2.40, 33.91 ppm; 4.06 A): 3 out of 3 assignments used, quality = 0.90: * H ASN 51 + HG2 GLN 50 OK 69 100 - 69 - 6829/2.9=20, 6830/2.9=19...(8) H GLN 50 + HG2 GLN 50 OK 65 81 - 81 - 5.1=50, 3.0/2277=17...(9) H VAL 58 + HG2 GLN 50 OK 10 96 - 10 - 2312/1.8=2, 2288/2.9=2...(5) Peak 2305 from cnoeabs.peaks (8.55, 2.43, 33.91 ppm; 4.11 A): 3 out of 8 assignments used, quality = 0.95: * H GLN 50 + HG3 GLN 50 OK 86 100 - 87 - 5.1=52, 6813/2.9=24...(10) H ASN 51 + HG3 GLN 50 OK 47 81 - 58 - 3.6/2278=14, 6829/2.9=14...(8) H GLN 50 + HG2 GLN 72 OK 29 78 - 37 - 6816=7, 4.0/2286=6...(11) H ASN 51 - HG2 GLN 72 OK 13 56 - 24 - 3.6/2278=5, 4.6/2286=5...(7) H LYS 12 - HG3 GLN 50 OK 12 81 - 15 - 6149=2, 2297/1.8=2...(9) H VAL 58 - HG3 GLN 50 OK 12 98 - 12 - 2297/1.8=3, 2281/2.9=2...(5) H LYS 12 - HG2 GLN 72 lone 4 56 - 7 - 3.6/367=1 H VAL 58 - HG2 GLN 72 lone 2 74 - 3 - Peak 2306 from cnoeabs.peaks (4.40, 2.43, 33.91 ppm; 3.81 A): 1 out of 14 assignments used, quality = 1.00: * HA GLN 50 + HG3 GLN 50 OK 100 100 - 100 - 3.7=100 HA MET 21 - HG3 GLN 50 OK 35 84 - 41 - 2298/1.8=7, 2282/2.9=7...(14) HA GLN 50 - HG2 GLN 72 OK 33 78 - 43 - 2278=9, 3.0/2286=7...(15) HA MET 74 - HG2 GLN 72 OK 24 75 - 32 - 3330/1.8=9, 10865/3.0=6...(9) HA MET 74 - HG3 GLN 50 OK 16 99 - 16 - 10865/2.9=4, 2298/1.8=3...(5) HA VAL 32 - HG3 GLN 50 lone 7 84 - 8 - 2298/1.8=2, 2282/2.9=1 HA ALA 25 - HG3 GLN 50 lone 7 77 - 8 - 2.1/8625=2, 2298/1.8=1 HA HIS 106 - HG3 GLN 50 lone 5 94 - 5 - 2298/1.8=1, 2282/2.9=1 HA ALA 25 - HG2 GLN 72 lone 3 53 - 5 - 2.1/8625=2, 3.6/3217=1 HA MET 21 - HG2 GLN 72 lone 2 59 - 4 - HA SER 102 - HG3 GLN 50 lone 1 65 - 2 - HA VAL 32 - HG2 GLN 72 lone 1 59 - 2 - HA HIS 106 - HG2 GLN 72 lone 1 69 - 1 - HA SER 102 - HG2 GLN 72 lone 1 44 - 1 - Peak 2307 from cnoeabs.peaks (2.02, 2.43, 33.91 ppm; 3.48 A): 1 out of 14 assignments used, quality = 1.00: * HB2 GLN 50 + HG3 GLN 50 OK 100 100 - 100 - 2.9=100 HB2 GLN 50 - HG2 GLN 72 OK 41 78 - 53 - 2286=10, 1.8/2294=7...(25) HB3 GLU 17 - HG2 GLN 72 OK 19 47 - 40 - 1.8/741=5, 3.0/756=5...(18) HB3 LYS 94 - HG3 GLN 50 OK 18 100 - 18 - 2299/1.8=4, 2291/2.9=2...(5) HG12 ILE 93 - HG3 GLN 50 OK 16 81 - 19 - 2299/1.8=3, 2.1/9100=2...(8) HB3 GLU 17 - HG3 GLN 50 OK 15 70 - 22 - 2299/1.8=3, 1.8/741=2...(12) HB3 GLU 99 - HG3 GLN 50 OK 12 81 - 14 - 2299/1.8=2, 3.0/4403=1...(4) HB3 LYS 94 - HG2 GLN 72 OK 12 78 - 15 - ~9565=4, ~10841=2...(7) HB3 GLU 99 - HG2 GLN 72 poor 7 56 - 12 - ~3221=1, 3.0/4426=1 HB2 GLU 62 - HG3 GLN 50 lone 5 96 - 5 - 2299/1.8=1 HB2 GLU 35 - HG3 GLN 50 lone 3 73 - 3 - HG12 ILE 93 - HG2 GLN 72 lone 2 56 - 3 - HB2 GLU 62 - HG2 GLN 72 lone 1 71 - 1 - HB2 GLU 35 - HG2 GLN 72 lone 1 50 - 2 - Peak 2308 from cnoeabs.peaks (2.17, 2.43, 33.91 ppm; 2.97 A): 2 out of 16 assignments used, quality = 1.00: * HB3 GLN 50 + HG3 GLN 50 OK 100 100 - 100 - 2.9=100 HB2 GLN 72 + HG2 GLN 72 OK 64 64 - 100 - 3.0=100 HB2 GLN 72 - HG3 GLN 50 OK 35 90 - 40 - 2300/1.8=6, 3195=6...(20) HB3 GLN 50 - HG2 GLN 72 OK 31 78 - 41 - 2294=6, 1.8/2286=6...(21) HB3 GLU 95 - HG2 GLN 72 OK 13 50 - 25 - 3220/1.8=3, ~4290=3...(14) HB3 GLU 16 - HG3 GLN 50 OK 12 94 - 13 - 2300/1.8=2, 2284/2.9=2...(5) HG2 GLU 75 - HG3 GLN 50 lone 10 100 - 10 - 2300/1.8=2, 2276/3.7=2...(4) HG3 GLU 75 - HG3 GLN 50 lone 10 100 - 10 - 2300/1.8=2, 2276/3.7=2...(4) HB3 GLU 75 - HG2 GLN 72 poor 9 53 - 17 - ~9562=3, ~9559=2...(6) HG2 GLU 75 - HG2 GLN 72 poor 9 78 - 11 - 4.0/9561=2, 3220/1.8=2...(4) HG3 GLU 75 - HG2 GLN 72 poor 9 78 - 11 - 4.0/9561=2, 3220/1.8=1...(4) HB3 GLU 16 - HG2 GLN 72 poor 8 69 - 12 - 703/3.9=2, 4.6/6258=2...(4) HB3 GLU 75 - HG3 GLN 50 lone 6 77 - 7 - 2300/1.8=1, 2276/3.7=1 HB3 GLU 95 - HG3 GLN 50 lone 2 73 - 3 - HG2 GLU 43 - HG3 GLN 50 lone 2 81 - 2 - HG2 GLU 43 - HG2 GLN 72 lone 0 56 - 1 - Peak 2309 from cnoeabs.peaks (2.40, 2.43, 33.91 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HG2 GLN 50 + HG3 GLN 50 OK 100 100 - 100 - 1.8=100 HG2 GLN 50 - HG2 GLN 72 OK 23 78 - 30 - 2302=8, 2.9/2286=3...(12) HB3 MET 21 - HG3 GLN 50 OK 21 100 - 21 - 2285/2.9=3, 2293/2.9=3...(10) HG3 MET 21 - HG3 GLN 50 OK 17 100 - 17 - 2285/2.9=3, 2293/2.9=3...(7) HG3 MET 1 - HG2 GLN 72 lone 3 44 - 7 - 1.8/27=2, 3.0/20=1 HG3 MET 1 - HG3 GLN 50 lone 2 65 - 3 - HB3 MET 21 - HG2 GLN 72 lone 1 78 - 1 - HG3 MET 21 - HG2 GLN 72 lone 1 78 - 1 - Peak 2310 from cnoeabs.peaks (2.43, 2.43, 33.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 50 + HG3 GLN 50 OK 100 100 - 100 HG2 GLN 72 + HG2 GLN 72 OK 72 72 - 100 Peak 2312 from cnoeabs.peaks (8.53, 2.43, 33.91 ppm; 4.11 A): 5 out of 6 assignments used, quality = 0.94: * H ASN 51 + HG3 GLN 50 OK 71 100 - 71 - 6829/2.9=20, 6830/2.9=19...(8) H GLN 50 + HG3 GLN 50 OK 67 81 - 83 - 5.1=52, 2304/1.8=17...(10) H ASN 51 + HG2 GLN 72 OK 21 78 - 27 - 6832=5, 3.6/2278=5...(8) H GLN 50 + HG2 GLN 72 OK 19 56 - 34 - 4.0/2286=6, 3.0/2278=6...(11) H VAL 58 + HG3 GLN 50 OK 11 96 - 11 - 2304/1.8=3, 2288/2.9=2...(5) H VAL 58 - HG2 GLN 72 lone 2 71 - 3 - Peak 2313 from cnoeabs.peaks (8.53, 4.98, 52.80 ppm; 3.77 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 51 + HA ASN 51 OK 100 100 - 100 - 3.0=100 H GLN 50 - HA ASN 51 OK 31 81 - 39 - ~6828=8, 2327/3.0=7...(9) H VAL 58 - HA ASN 51 OK 14 96 - 14 - 2327/3.0=3, 2320/3.0=3...(6) Peak 2314 from cnoeabs.peaks (4.98, 4.98, 52.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 51 + HA ASN 51 OK 100 100 - 100 Peak 2315 from cnoeabs.peaks (2.95, 4.98, 52.80 ppm; 3.35 A): 1 out of 11 assignments used, quality = 1.00: * HB2 ASN 51 + HA ASN 51 OK 100 100 - 100 - 3.0=100 HG2 MET 21 - HA ASN 51 OK 28 98 - 29 - 6835/3.0=5, 977/4.4=5...(12) HE3 LYS 73 - HA ASN 51 lone 10 100 - 10 - 6855/3.6=1, 6835/3.0=1 HE2 LYS 73 - HA ASN 51 lone 9 99 - 9 - 6855/3.6=1, 6835/3.0=1 HB2 ASN 10 - HA ASN 51 lone 5 65 - 8 - 2329/3.0=1, 355/4.4=1 HE3 LYS 90 - HA ASN 51 lone 4 92 - 4 - HE3 LYS 13 - HA ASN 51 lone 3 87 - 3 - HE2 LYS 13 - HA ASN 51 lone 2 81 - 3 - HE2 LYS 24 - HA ASN 51 lone 1 73 - 2 - HE3 LYS 24 - HA ASN 51 lone 1 73 - 2 - HE3 LYS 12 - HA ASN 51 lone 1 61 - 1 - Peak 2316 from cnoeabs.peaks (2.67, 4.98, 52.80 ppm; 3.50 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 51 + HA ASN 51 OK 100 100 - 100 - 3.0=100 HD3 ARG 91 - HA ASN 51 OK 22 84 - 26 - 2323/3.0=4, 6836/3.0=3...(12) HD2 ARG 30 - HA ASN 51 OK 20 100 - 20 - 2323/3.0=3, 6836/3.0=3...(9) Peak 2318 from cnoeabs.peaks (7.68, 4.98, 52.80 ppm; 5.31 A): 2 out of 3 assignments used, quality = 1.00: * HD22 ASN 51 + HA ASN 51 OK 100 100 - 100 - 4.4=100 H MET 21 + HA ASN 51 OK 54 100 - 54 - 2325/3.0=14, 6838/3.0=12...(10) H SER 85 - HA ASN 51 OK 15 100 - 15 - 6838/3.0=4, 2325/3.0=4...(5) Peak 2319 from cnoeabs.peaks (7.49, 4.98, 52.80 ppm; 3.18 A): 1 out of 2 assignments used, quality = 0.83: * H ILE 52 + HA ASN 51 OK 83 100 - 83 - 3.6=71, 6839/3.0=20...(5) HZ2 TRP 92 - HA ASN 51 lone 7 100 - 7 - 6839/3.0=2, 2326/3.0=2 Peak 2320 from cnoeabs.peaks (8.53, 2.95, 39.58 ppm; 3.85 A): 1 out of 3 assignments used, quality = 0.95: * H ASN 51 + HB2 ASN 51 OK 95 100 - 95 - 4.0=87, 6836/1.8=33...(5) H GLN 50 - HB2 ASN 51 OK 33 81 - 41 - 4.6/6835=11, 2327/1.8=9...(11) H VAL 58 - HB2 ASN 51 OK 15 96 - 15 - 2327/1.8=4, 2313/3.0=3...(5) Peak 2321 from cnoeabs.peaks (4.98, 2.95, 39.58 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 51 + HB2 ASN 51 OK 100 100 - 100 - 3.0=100 Peak 2322 from cnoeabs.peaks (2.95, 2.95, 39.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 51 + HB2 ASN 51 OK 100 100 - 100 Peak 2323 from cnoeabs.peaks (2.67, 2.95, 39.58 ppm; 2.56 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 51 + HB2 ASN 51 OK 100 100 - 100 - 1.8=100 HD3 ARG 91 - HB2 ASN 51 OK 13 84 - 16 - 2316/3.0=2, 6850/3.5=2...(10) HD2 ARG 30 - HB2 ASN 51 OK 12 100 - 12 - ~1371=2, 2316/3.0=2...(7) Peak 2324 from cnoeabs.peaks (6.98, 2.95, 39.58 ppm; 4.51 A): 1 out of 5 assignments used, quality = 1.00: * HD21 ASN 51 + HB2 ASN 51 OK 100 100 - 100 - 3.5=100 HD21 ASN 10 - HB2 ASN 51 OK 21 98 - 21 - 2331/1.8=5, 6851/3.5=2...(7) HE ARG 91 - HB2 ASN 51 OK 16 61 - 27 - 2331/1.8=6, 2.9/2323=5...(9) HE2 PHE 96 - HB2 ASN 51 lone 2 65 - 3 - HE1 PHE 96 - HB2 ASN 51 lone 1 57 - 2 - Peak 2325 from cnoeabs.peaks (7.68, 2.95, 39.58 ppm; 4.07 A): 2 out of 3 assignments used, quality = 1.00: * HD22 ASN 51 + HB2 ASN 51 OK 100 100 - 100 - 3.5=100 H MET 21 + HB2 ASN 51 OK 56 100 - 57 - 6335=14, 2332/1.8=11...(16) H SER 85 - HB2 ASN 51 OK 13 100 - 13 - 2332/1.8=3, 2318/3.0=2...(6) Peak 2326 from cnoeabs.peaks (7.49, 2.95, 39.58 ppm; 4.32 A): 1 out of 2 assignments used, quality = 0.96: * H ILE 52 + HB2 ASN 51 OK 96 100 - 96 - 4.6=82, 6854/3.0=42...(9) HZ2 TRP 92 - HB2 ASN 51 OK 13 100 - 13 - 2333/1.8=4, 2319/3.0=3 Peak 2327 from cnoeabs.peaks (8.53, 2.67, 39.58 ppm; 3.64 A): 3 out of 3 assignments used, quality = 0.92: * H ASN 51 + HB3 ASN 51 OK 87 100 - 87 - 4.0=74, 2320/1.8=22...(6) H GLN 50 + HB3 ASN 51 OK 31 81 - 39 - 4.6/6836=14, 2320/1.8=8...(10) H VAL 58 + HB3 ASN 51 OK 14 96 - 14 - 2320/1.8=4, 2313/3.0=3...(5) Peak 2328 from cnoeabs.peaks (4.98, 2.67, 39.58 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 51 + HB3 ASN 51 OK 100 100 - 100 - 3.0=100 Peak 2329 from cnoeabs.peaks (2.95, 2.67, 39.58 ppm; 2.53 A): 1 out of 11 assignments used, quality = 1.00: * HB2 ASN 51 + HB3 ASN 51 OK 100 100 - 100 - 1.8=100 HG2 MET 21 - HB3 ASN 51 OK 21 98 - 22 - 977/3.5=3, 2315/3.0=2...(9) HE3 LYS 73 - HB3 ASN 51 lone 6 100 - 6 - HE2 LYS 73 - HB3 ASN 51 lone 5 99 - 5 - HB2 ASN 10 - HB3 ASN 51 lone 5 65 - 7 - 3.5/2331=1 HE3 LYS 90 - HB3 ASN 51 lone 2 92 - 2 - HE3 LYS 13 - HB3 ASN 51 lone 2 87 - 2 - HE2 LYS 13 - HB3 ASN 51 lone 1 81 - 2 - HE2 LYS 24 - HB3 ASN 51 lone 1 73 - 1 - HE3 LYS 24 - HB3 ASN 51 lone 1 73 - 1 - HE3 LYS 12 - HB3 ASN 51 lone 0 61 - 1 - Peak 2330 from cnoeabs.peaks (2.67, 2.67, 39.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 51 + HB3 ASN 51 OK 100 100 - 100 Peak 2331 from cnoeabs.peaks (6.98, 2.67, 39.58 ppm; 4.67 A): 1 out of 5 assignments used, quality = 1.00: * HD21 ASN 51 + HB3 ASN 51 OK 100 100 - 100 - 3.5=100 HE ARG 91 - HB3 ASN 51 OK 23 61 - 38 - 2324/1.8=5, 4.0/4051=5...(15) HD21 ASN 10 - HB3 ASN 51 OK 21 98 - 22 - 2324/1.8=6, ~6132=3...(8) HE2 PHE 96 - HB3 ASN 51 lone 2 65 - 3 - HE1 PHE 96 - HB3 ASN 51 lone 1 57 - 2 - Peak 2332 from cnoeabs.peaks (7.68, 2.67, 39.58 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: * HD22 ASN 51 + HB3 ASN 51 OK 100 100 - 100 - 3.5=100 H MET 21 - HB3 ASN 51 OK 41 100 - 41 - 2325/1.8=12, 2318/3.0=6...(11) H SER 85 - HB3 ASN 51 OK 10 100 - 10 - 2325/1.8=3, 2318/3.0=2...(4) Peak 2333 from cnoeabs.peaks (7.49, 2.67, 39.58 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 52 + HB3 ASN 51 OK 100 100 - 100 - 4.6=100 HZ2 TRP 92 - HB3 ASN 51 OK 14 100 - 13 - 2326/1.8=5, 6839/4.0=4 Peak 2334 from cnoeabs.peaks (7.49, 5.34, 59.36 ppm; 4.02 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 52 + HA ILE 52 OK 100 100 - 100 - 3.0=100 HZ2 TRP 92 - HA ILE 52 OK 36 100 - 36 - 2342/3.0=8, 2358/3.8=7...(8) H ILE 52 - HA THR 80 OK 30 56 - 55 - 6859=15, 3.8/2343=9...(14) HZ2 TRP 92 - HA THR 80 lone 4 55 - 8 - 14666/9741=1...(3) Peak 2335 from cnoeabs.peaks (5.34, 5.34, 59.36 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ILE 52 + HA ILE 52 OK 100 100 - 100 HA THR 80 + HA THR 80 OK 52 52 - 100 Peak 2336 from cnoeabs.peaks (1.67, 5.34, 59.36 ppm; 3.36 A): 1 out of 30 assignments used, quality = 1.00: * HB ILE 52 + HA ILE 52 OK 100 100 - 100 - 3.0=100 HB3 LYS 53 - HA ILE 52 OK 28 77 - 36 - 3.9/6868=17, ~9199=3...(13) HB ILE 52 - HA THR 80 OK 27 56 - 49 - 2343=11, 2.1/2351=9...(16) HG3 LYS 20 - HA ILE 52 OK 18 99 - 18 - 2352/3.2=2, 6860/3.0=2...(7) HD2 LYS 20 - HA ILE 52 OK 13 97 - 13 - 2352/3.2=1, 6860/3.0=1...(6) HD3 LYS 20 - HA ILE 52 OK 13 99 - 13 - 2352/3.2=1, 6860/3.0=1...(6) HB3 ARG 79 - HA THR 80 OK 12 34 - 37 - 7300/2.9=8, ~7298=7...(11) HD2 LYS 73 - HA ILE 52 OK 12 100 - 12 - 10854/3.2=2, 6860/3.0=1...(5) HD3 LYS 73 - HA ILE 52 OK 12 99 - 12 - 10854/3.2=2, 6860/3.0=1...(5) HD2 LYS 68 - HA THR 80 OK 11 30 - 37 - ~10788=5, ~10256=5...(19) HD3 LYS 68 - HA THR 80 OK 10 27 - 37 - ~10788=5, ~10256=5...(19) HB3 ARG 91 - HA ILE 52 poor 10 87 - 11 - 6860/3.0=1, 2352/3.2=1 HB3 LYS 40 - HA ILE 52 poor 10 84 - 12 - 2352/3.2=1, 6869/3.6=1 HB3 ARG 79 - HA ILE 52 lone 6 73 - 9 - 4.6/7305=4, 4.1/11126=2 HD2 LYS 47 - HA ILE 52 lone 6 92 - 6 - HD3 LYS 47 - HA ILE 52 lone 5 90 - 6 - HD2 LYS 39 - HA THR 80 poor 4 34 - 11 - ~9717=2, ~9720=2, ~9730=1 HB3 LYS 53 - HA THR 80 lone 4 36 - 10 - 3.9/6868=5 HD2 LYS 39 - HA ILE 52 lone 2 73 - 3 - HD2 LYS 68 - HA ILE 52 lone 2 65 - 3 - HD3 LYS 68 - HA ILE 52 lone 2 61 - 3 - HB3 LYS 40 - HA THR 80 lone 2 40 - 4 - HG3 LYS 20 - HA THR 80 lone 1 54 - 3 - HD2 LYS 73 - HA THR 80 lone 1 55 - 2 - HD3 LYS 73 - HA THR 80 lone 1 53 - 2 - HD3 LYS 20 - HA THR 80 lone 1 54 - 2 - HD2 LYS 20 - HA THR 80 lone 1 51 - 2 - HB3 ARG 91 - HA THR 80 lone 1 42 - 2 - HD2 LYS 47 - HA THR 80 lone 1 46 - 1 - HD3 LYS 47 - HA THR 80 lone 1 44 - 1 - Peak 2337 from cnoeabs.peaks (0.78, 5.34, 59.36 ppm; 3.41 A): 1 out of 18 assignments used, quality = 1.00: * QG2 ILE 52 + HA ILE 52 OK 100 100 - 100 - 3.2=100 QD2 LEU 42 - HA ILE 52 OK 32 87 - 37 - 10599/3.8=10, 2345/3.0=4...(13) QG2 ILE 8 - HA ILE 52 OK 31 96 - 33 - 2351=4, 6861/3.0=4...(13) QG2 ILE 52 - HA THR 80 OK 28 56 - 51 - 2351=13, 2.1/2343=10...(16) QD1 LEU 6 - HA ILE 52 OK 26 96 - 28 - 232/3.6=4, 2345/3.0=3...(14) QG1 VAL 54 - HA ILE 52 OK 17 70 - 24 - 10654/3.8=5, ~9162=3...(9) QD1 LEU 27 - HA ILE 52 OK 16 92 - 18 - 10135/9157=3...(7) QD1 ILE 93 - HA ILE 52 lone 9 94 - 10 - 2345/3.0=1, 6861/3.0=1 QD2 LEU 57 - HA THR 80 poor 6 32 - 18 - ~9723=6, ~9363=4...(6) QD2 LEU 57 - HA ILE 52 lone 5 70 - 7 - 2.1/12273=1 QD1 LEU 27 - HA THR 80 lone 4 46 - 10 - 10135/8102=1, 10137/8103=1 QG2 ILE 8 - HA THR 80 lone 3 49 - 7 - ~10682=1 QD1 LEU 6 - HA THR 80 lone 3 49 - 7 - QD1 ILE 15 - HA ILE 52 lone 3 61 - 5 - QD2 LEU 42 - HA THR 80 lone 2 42 - 5 - 10599/2359=1 QD1 ILE 93 - HA THR 80 lone 2 48 - 3 - QG1 VAL 54 - HA THR 80 lone 1 32 - 4 - QD1 ILE 15 - HA THR 80 lone 1 27 - 2 - Peak 2338 from cnoeabs.peaks (1.04, 5.34, 59.36 ppm; 4.14 A): 1 out of 6 assignments used, quality = 1.00: * HG12 ILE 52 + HA ILE 52 OK 100 100 - 100 - 3.8=100 HB3 ARG 81 - HA ILE 52 OK 38 73 - 52 - 2.9/9156=10, 4.0/7311=9...(12) HG12 ILE 52 - HA THR 80 OK 33 56 - 60 - 2359=16, 3.0/2343=12...(13) HB3 LEU 55 - HA ILE 52 OK 31 81 - 39 - 4.5/9299=7, 2346/3.0=6...(12) HB3 ARG 81 - HA THR 80 OK 23 34 - 69 - 4.0/7311=23, ~10917=13...(12) HB3 LEU 55 - HA THR 80 OK 18 38 - 46 - 4.5/9299=15, 3.1/9258=8...(14) Peak 2339 from cnoeabs.peaks (1.46, 5.34, 59.36 ppm; 3.84 A): 1 out of 28 assignments used, quality = 1.00: * HG13 ILE 52 + HA ILE 52 OK 100 100 - 100 - 3.8=100 HG2 LYS 53 - HA ILE 52 OK 37 98 - 37 - 5.0/6868=15, 3.0/2336=3...(12) HD2 LYS 53 - HA ILE 52 OK 34 100 - 34 - 5.9/6868=11, 9192/9157=5...(11) HG3 LYS 53 - HA ILE 52 OK 34 90 - 38 - 5.0/6868=15, 3.0/2336=3...(12) HG LEU 38 - HA ILE 52 OK 32 100 - 32 - 2367=6, 2366/3.0=4...(11) HB2 LEU 38 - HA ILE 52 OK 31 100 - 31 - 8856/4.1=4, 3.0/2367=4...(13) HG13 ILE 52 - HA THR 80 OK 29 56 - 52 - 1.8/2359=11, 3.0/2343=10...(10) HG2 LYS 20 - HA ILE 52 OK 22 100 - 22 - 1.8/2336=2, 6863/3.0=2...(11) HB2 LEU 27 - HA ILE 52 OK 18 100 - 18 - 1194/3.2=2, 3.1/2337=2...(7) HG3 ARG 91 - HA ILE 52 OK 16 99 - 16 - 6863/3.0=2, 2367=2...(8) HD2 LYS 40 - HA ILE 52 OK 15 97 - 16 - 2347/3.0=1, 2355/3.2=1...(6) HD3 LYS 40 - HA ILE 52 OK 15 96 - 16 - 2347/3.0=1, 2355/3.2=1...(5) HD2 LYS 82 - HA ILE 52 lone 10 100 - 10 - 6872/3.6=1 HG2 LYS 12 - HA ILE 52 lone 8 87 - 9 - 4.7/10200=2, 3.0/12271=1 HD2 LYS 53 - HA THR 80 poor 7 55 - 13 - 5.9/6868=3, 9192/8102=2...(5) HB2 LEU 27 - HA THR 80 poor 7 56 - 12 - 10195/3.2=3 HG2 LYS 53 - HA THR 80 poor 7 52 - 13 - 5.0/6868=4, 10195/3.2=1 HD2 LYS 82 - HA THR 80 poor 6 55 - 11 - 10195/3.2=5, 9721/3.0=2 HG LEU 38 - HA THR 80 poor 6 55 - 11 - 2367=2, ~9723=2, 10195/3.2=2 HG3 LYS 53 - HA THR 80 poor 6 44 - 13 - 5.0/6868=4, 10195/3.2=1 HG3 LYS 39 - HA THR 80 poor 6 34 - 16 - 10195/3.2=3, ~9722=2...(9) HB2 LEU 38 - HA THR 80 lone 5 55 - 9 - 10195/3.2=2, 3.0/2367=1, ~9723=1 HG3 LYS 39 - HA ILE 52 lone 5 73 - 6 - HD2 LYS 40 - HA THR 80 lone 4 51 - 8 - 10195/3.2=2 HD3 LYS 40 - HA THR 80 lone 4 49 - 8 - 10195/3.2=2 HG2 LYS 20 - HA THR 80 lone 2 56 - 4 - HG3 ARG 91 - HA THR 80 lone 2 53 - 4 - HG2 LYS 12 - HA THR 80 lone 2 42 - 4 - Peak 2340 from cnoeabs.peaks (0.69, 5.34, 59.36 ppm; 3.81 A): 2 out of 16 assignments used, quality = 0.96: * QD1 ILE 52 + HA ILE 52 OK 93 100 - 94 - 4.1=81, 2374/3.0=16...(14) QD1 LEU 42 + HA ILE 52 OK 39 98 - 40 - 2348/3.0=6, 2364/3.8=5...(13) QD2 LEU 6 - HA ILE 52 OK 32 96 - 34 - 224/3.6=6, 223/3.2=5...(12) QD1 ILE 56 - HA THR 80 OK 28 40 - 69 - 3.2/9302=17, 3.0/9307=15...(16) QD1 ILE 8 - HA ILE 52 OK 27 77 - 35 - 2.1/12272=4, 3.0/2337=4...(16) QD1 ILE 52 - HA THR 80 OK 27 56 - 49 - 2375=11, 2.1/2359=10...(9) QD1 ILE 56 - HA ILE 52 OK 24 84 - 28 - 3.0/9155=9, 3.2/9302=6...(8) QD2 LEU 14 - HA THR 80 OK 20 38 - 52 - 10403/3.2=13, ~10402=9...(12) QD1 LEU 14 - HA THR 80 OK 16 32 - 50 - ~10403=10, 10402/3.2=9...(14) QD2 LEU 14 - HA ILE 52 OK 11 81 - 13 - 10403/3570=2, 2348/3.0=1 QG2 VAL 58 - HA ILE 52 poor 10 61 - 16 - 4.0/10200=5, ~12317=3 QD1 LEU 14 - HA ILE 52 poor 9 70 - 13 - 10402/3570=1, 2348/3.0=1 QG2 VAL 58 - HA THR 80 poor 8 27 - 29 - ~10223=13, 4.0/10200=6...(5) QD2 LEU 6 - HA THR 80 lone 5 49 - 9 - QD1 ILE 8 - HA THR 80 poor 4 36 - 11 - 10682/3.2=3, 2596/9307=2 QD1 LEU 42 - HA THR 80 lone 3 52 - 6 - Peak 2341 from cnoeabs.peaks (8.47, 5.34, 59.36 ppm; 3.11 A): 4 out of 10 assignments used, quality = 0.88: * H LYS 53 + HA ILE 52 OK 80 100 - 80 - 3.6=66, 2349/3.0=9...(12) H ILE 7 + HA ILE 52 OK 18 94 - 19 - 2357/3.2=3, 2349/3.0=3...(6) H LYS 53 + HA THR 80 OK 15 56 - 27 - 6868=11, 4.5/2343=4...(6) H VAL 32 + HA ILE 52 OK 11 84 - 13 - 2349/3.0=2, 6865/3.0=2...(7) H ALA 67 - HA ILE 52 poor 9 84 - 10 - 2349/3.0=1, 2357/3.2=1...(5) H ALA 67 - HA THR 80 lone 4 40 - 10 - 9518/3.2=5 H LEU 29 - HA ILE 52 lone 4 73 - 5 - H ILE 7 - HA THR 80 lone 2 48 - 5 - H VAL 32 - HA THR 80 lone 1 40 - 3 - H LEU 29 - HA THR 80 lone 0 34 - 1 - Peak 2342 from cnoeabs.peaks (7.49, 1.67, 42.16 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 52 + HB ILE 52 OK 100 100 - 100 - 3.8=100 HZ2 TRP 92 - HB ILE 52 OK 38 100 - 38 - 2350/2.1=9, 2358/3.0=9...(6) Peak 2343 from cnoeabs.peaks (5.34, 1.67, 42.16 ppm; 3.88 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 52 + HB ILE 52 OK 100 100 - 100 - 3.0=100 HA THR 80 + HB ILE 52 OK 54 98 - 55 - 2351/2.1=11, 2359/3.0=9...(16) Peak 2344 from cnoeabs.peaks (1.67, 1.67, 42.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 52 + HB ILE 52 OK 100 100 - 100 Peak 2345 from cnoeabs.peaks (0.78, 1.67, 42.16 ppm; 3.44 A): 1 out of 9 assignments used, quality = 1.00: * QG2 ILE 52 + HB ILE 52 OK 100 100 - 100 - 2.1=100 QD2 LEU 42 - HB ILE 52 OK 43 87 - 50 - 10599/3.0=12, 2.1/2348=6...(22) QG2 ILE 8 - HB ILE 52 OK 36 96 - 38 - 2361/3.0=3, 2377/3.2=3...(18) QD1 LEU 6 - HB ILE 52 OK 36 96 - 38 - 2.1/2348=4, 230/3.2=4...(18) QG1 VAL 54 - HB ILE 52 OK 25 70 - 37 - 10654/3.0=6, ~9240=6...(13) QD1 LEU 27 - HB ILE 52 OK 16 92 - 17 - 2337/3.0=1, 2361/3.0=1...(7) QD1 ILE 93 - HB ILE 52 OK 13 94 - 14 - 2377/3.2=1, ~10643=1...(4) QD2 LEU 57 - HB ILE 52 lone 6 70 - 8 - QD1 ILE 15 - HB ILE 52 lone 3 61 - 5 - Peak 2346 from cnoeabs.peaks (1.04, 1.67, 42.16 ppm; 4.44 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 52 + HB ILE 52 OK 100 100 - 100 - 3.0=100 HB3 ARG 81 - HB ILE 52 OK 42 73 - 58 - 2354/2.1=7, 3.4/10645=7...(20) HB3 LEU 55 - HB ILE 52 OK 38 81 - 48 - 2354/2.1=7, 2378/3.2=6...(15) Peak 2347 from cnoeabs.peaks (1.46, 1.67, 42.16 ppm; 3.99 A): 3 out of 14 assignments used, quality = 1.00: * HG13 ILE 52 + HB ILE 52 OK 100 100 - 100 - 3.0=100 HB2 LEU 38 + HB ILE 52 OK 47 100 - 47 - 8856/3.2=6, 3.1/12070=4...(23) HG LEU 38 + HB ILE 52 OK 46 100 - 46 - 2370/3.0=5, 2.1/12070=5...(22) HG2 LYS 53 - HB ILE 52 OK 41 98 - 42 - 5.0/2349=9, 2355/2.1=3...(19) HG3 LYS 53 - HB ILE 52 OK 37 90 - 41 - 5.0/2349=9, 2355/2.1=3...(19) HD2 LYS 53 - HB ILE 52 OK 33 100 - 33 - 5.9/2349=7, 2355/2.1=2...(15) HG2 LYS 20 - HB ILE 52 OK 30 100 - 30 - 2355/2.1=2, 2379/3.2=2...(17) HB2 LEU 27 - HB ILE 52 OK 23 100 - 23 - 1194/2.1=3, 3.1/2345=2...(9) HD2 LYS 40 - HB ILE 52 OK 23 97 - 24 - 2355/2.1=2, 2379/3.2=1...(7) HD3 LYS 40 - HB ILE 52 OK 23 96 - 24 - 2355/2.1=2, 2379/3.2=1...(6) HG3 ARG 91 - HB ILE 52 OK 22 99 - 22 - 6863/3.8=2, 2363/3.0=2...(6) HD2 LYS 82 - HB ILE 52 OK 12 100 - 12 - ~9762=1 HG3 LYS 39 - HB ILE 52 poor 9 73 - 11 - ~10566=1, ~10570=1 HG2 LYS 12 - HB ILE 52 lone 6 87 - 6 - Peak 2348 from cnoeabs.peaks (0.69, 1.67, 42.16 ppm; 3.79 A): 2 out of 8 assignments used, quality = 1.00: * QD1 ILE 52 + HB ILE 52 OK 100 100 - 100 - 3.2=100 QD1 LEU 42 + HB ILE 52 OK 57 98 - 58 - ~10599=11, 2364/3.0=7...(23) QD2 LEU 6 - HB ILE 52 OK 43 96 - 45 - 223/2.1=6, 2.1/2345=5...(18) QD1 ILE 8 - HB ILE 52 OK 31 77 - 40 - 3.0/2345=4, ~10640=4...(21) QD1 ILE 56 - HB ILE 52 OK 18 84 - 22 - ~9155=5, ~9307=4...(7) QD2 LEU 14 - HB ILE 52 OK 11 81 - 13 - 2364/3.0=1, 2356/2.1=1 QD1 LEU 14 - HB ILE 52 poor 10 70 - 13 - 2364/3.0=1, 2356/2.1=1 QG2 VAL 58 - HB ILE 52 poor 9 61 - 15 - ~12317=4, ~8302=1, ~9383=1 Peak 2349 from cnoeabs.peaks (8.47, 1.67, 42.16 ppm; 4.18 A): 1 out of 5 assignments used, quality = 0.95: * H LYS 53 + HB ILE 52 OK 95 100 - 95 - 4.5=78, 6868/3.0=32...(19) H ILE 7 - HB ILE 52 OK 31 94 - 33 - 2357/2.1=7, 2381/3.2=6...(7) H VAL 32 - HB ILE 52 OK 22 84 - 26 - 2357/2.1=4, 2381/3.2=3...(9) H ALA 67 - HB ILE 52 OK 15 84 - 17 - 2381/3.2=3, 2357/2.1=3...(7) H LEU 29 - HB ILE 52 poor 7 73 - 10 - 2357/2.1=1, 2365/3.0=1...(4) Peak 2350 from cnoeabs.peaks (7.49, 0.78, 17.78 ppm; 3.82 A): 1 out of 4 assignments used, quality = 0.95: * H ILE 52 + QG2 ILE 52 OK 95 100 - 95 - 4.0=86, 6860/2.1=18...(13) HZ2 TRP 92 - QG2 ILE 52 OK 34 100 - 34 - 2342/2.1=8, 2358/3.2=7...(6) H ILE 52 - QG2 ILE 8 OK 15 45 - 33 - 6861=7, 9153/3.1=4...(12) HZ2 TRP 92 - QG2 ILE 8 lone 1 45 - 3 - Peak 2351 from cnoeabs.peaks (5.34, 0.78, 17.78 ppm; 3.47 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 52 + QG2 ILE 52 OK 100 100 - 100 - 3.2=100 HA THR 80 + QG2 ILE 52 OK 46 98 - 47 - 2343/2.1=10, 2359/3.2=7...(16) HA ILE 52 - QG2 ILE 8 OK 15 45 - 34 - 2337=5, 3.0/6861=4...(14) HA THR 80 - QG2 ILE 8 lone 3 42 - 7 - ~10682=1 Peak 2352 from cnoeabs.peaks (1.67, 0.78, 17.78 ppm; 3.00 A): 1 out of 30 assignments used, quality = 1.00: * HB ILE 52 + QG2 ILE 52 OK 100 100 - 100 - 2.1=100 HB3 LYS 53 - QG2 ILE 52 OK 22 77 - 29 - 3.0/9199=6, 3.9/2357=6...(10) HG3 LYS 20 - QG2 ILE 52 OK 20 99 - 20 - 2376/3.1=2, 897/3.2=2...(6) HD3 LYS 20 - QG2 ILE 52 OK 15 99 - 15 - 2376/3.1=1, 2.8/2355=1...(4) HD2 LYS 20 - QG2 ILE 52 OK 15 97 - 15 - 2376/3.1=1, 2.8/2355=1...(4) HB ILE 52 - QG2 ILE 8 OK 14 45 - 30 - 2345=4, 3.0/2361=2...(13) HD2 LYS 73 - QG2 ILE 52 OK 13 100 - 14 - 2376/3.1=1, 10854=1...(4) HD3 LYS 73 - QG2 ILE 52 OK 13 99 - 14 - 10854=1, 2376/3.1=1...(4) HB3 LYS 40 - QG2 ILE 52 OK 12 84 - 15 - 4.3/8869=2, 3.0/9165=2 HB3 ARG 91 - QG2 ILE 52 OK 11 87 - 12 - HD2 LYS 47 - QG2 ILE 52 lone 7 92 - 8 - 3.0/9166=1, 3.0/9166=1 HD3 LYS 47 - QG2 ILE 52 lone 7 90 - 8 - 3.0/9166=1, 3.0/9166=1 HG3 LYS 20 - QG2 ILE 8 poor 7 44 - 15 - 895/2.1=3, ~884=1...(6) HB3 LYS 40 - QG2 ILE 8 poor 4 32 - 11 - 4.3/8869=2, 1805/4.1=2 HD3 LYS 20 - QG2 ILE 8 lone 3 44 - 8 - ~895=1 HD2 LYS 20 - QG2 ILE 8 lone 3 41 - 8 - ~895=1 HD2 LYS 39 - QG2 ILE 52 lone 3 73 - 4 - HB3 ARG 79 - QG2 ILE 52 lone 2 73 - 3 - HD2 LYS 73 - QG2 ILE 8 lone 1 45 - 3 - HD3 LYS 73 - QG2 ILE 8 lone 1 43 - 3 - HD2 LYS 68 - QG2 ILE 52 lone 1 65 - 2 - HD3 LYS 68 - QG2 ILE 52 lone 1 61 - 2 - HB3 LYS 53 - QG2 ILE 8 lone 1 29 - 4 - 3.9/6870=1, 3.0/9199=1 HD2 LYS 39 - QG2 ILE 8 lone 1 27 - 2 - HB3 ARG 91 - QG2 ILE 8 lone 1 34 - 2 - HD2 LYS 47 - QG2 ILE 8 lone 1 37 - 1 - HD3 LYS 47 - QG2 ILE 8 lone 0 36 - 1 - HD2 LYS 68 - QG2 ILE 8 lone 0 24 - 2 - HD3 LYS 68 - QG2 ILE 8 lone 0 22 - 2 - HB3 ARG 79 - QG2 ILE 8 lone 0 27 - 1 - Peak 2353 from cnoeabs.peaks (0.78, 0.78, 17.78 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 52 + QG2 ILE 52 OK 100 100 - 100 QG2 ILE 8 - QG2 ILE 8 OK 40 40 - 100 Peak 2354 from cnoeabs.peaks (1.04, 0.78, 17.78 ppm; 3.38 A): 1 out of 6 assignments used, quality = 1.00: * HG12 ILE 52 + QG2 ILE 52 OK 100 100 - 100 - 3.2=100 HB3 ARG 81 - QG2 ILE 52 OK 26 73 - 35 - 2346/2.1=5, 2378/3.1=4...(17) HB3 LEU 55 - QG2 ILE 52 OK 24 81 - 29 - 2346/2.1=4, 2378/3.1=4...(15) HG12 ILE 52 - QG2 ILE 8 OK 16 45 - 36 - 2361=6, 2.1/2377=4...(13) HB3 LEU 55 - QG2 ILE 8 lone 1 31 - 2 - HB3 ARG 81 - QG2 ILE 8 lone 0 27 - 2 - Peak 2355 from cnoeabs.peaks (1.46, 0.78, 17.78 ppm; 3.62 A): 1 out of 28 assignments used, quality = 1.00: * HG13 ILE 52 + QG2 ILE 52 OK 100 100 - 100 - 3.2=100 HG LEU 38 - QG2 ILE 52 OK 39 100 - 40 - 2370/3.2=5, 2369=4...(19) HB2 LEU 38 - QG2 ILE 52 OK 38 100 - 38 - 8856/3.1=5, 2347/2.1=3...(18) HG2 LYS 53 - QG2 ILE 52 OK 37 98 - 38 - 3.9/9199=8, 5.0/2357=6...(14) HG3 LYS 53 - QG2 ILE 52 OK 34 90 - 38 - 3.9/9199=8, 5.0/2357=6...(14) HD2 LYS 53 - QG2 ILE 52 OK 30 100 - 30 - 2437/4.3=6, 5.3/9199=5...(10) HG2 LYS 20 - QG2 ILE 52 OK 29 100 - 30 - 1.8/2352=3, 3.7/9164=2...(14) HB2 LEU 27 - QG2 ILE 52 OK 23 100 - 23 - 1194=3, 1.8/1202=2...(8) HD2 LYS 40 - QG2 ILE 52 OK 19 97 - 20 - 2347/2.1=2, 5.2/9165=1...(5) HD3 LYS 40 - QG2 ILE 52 OK 19 96 - 20 - 5.2/9165=1, 2347/2.1=1...(6) HG3 ARG 91 - QG2 ILE 52 OK 19 99 - 19 - 2347/2.1=1, 2363/3.2=1...(5) HG13 ILE 52 - QG2 ILE 8 OK 18 45 - 39 - 1.8/2361=5, 2.1/2377=5...(15) HG2 LYS 20 - QG2 ILE 8 OK 11 45 - 25 - 884/2.1=3, 12201/3.0=3...(12) HD2 LYS 82 - QG2 ILE 52 OK 10 100 - 10 - 2.9/9762=2 HG2 LYS 12 - QG2 ILE 52 poor 10 87 - 11 - 4.0/10392=2, 4.0/9166=1 HG3 LYS 39 - QG2 ILE 52 lone 7 73 - 9 - ~10566=1 HB2 LEU 38 - QG2 ILE 8 poor 6 45 - 14 - 8856/3.0=3, ~12202=2...(5) HG LEU 38 - QG2 ILE 8 poor 6 45 - 13 - 12201/3.0=2, ~12202=1...(6) HB2 LEU 27 - QG2 ILE 8 poor 5 45 - 10 - 1194=1 HD2 LYS 40 - QG2 ILE 8 poor 5 41 - 11 - 12201/3.0=1, ~293=1 HD3 LYS 40 - QG2 ILE 8 poor 4 40 - 11 - 12201/3.0=1, ~293=1 HG2 LYS 53 - QG2 ILE 8 lone 2 42 - 6 - 5.0/6870=1, 3.9/9199=1 HD2 LYS 53 - QG2 ILE 8 lone 2 45 - 4 - 5.9/6870=1 HG3 LYS 53 - QG2 ILE 8 lone 2 36 - 5 - 5.0/6870=1, 3.9/9199=1 HG3 LYS 39 - QG2 ILE 8 lone 2 27 - 6 - HD2 LYS 82 - QG2 ILE 8 lone 1 45 - 3 - HG2 LYS 12 - QG2 ILE 8 lone 1 34 - 3 - HG3 ARG 91 - QG2 ILE 8 lone 1 43 - 2 - Peak 2356 from cnoeabs.peaks (0.69, 0.78, 17.78 ppm; 2.71 A): 4 out of 16 assignments used, quality = 0.93: * QD1 ILE 52 + QG2 ILE 52 OK 78 100 - 78 - 3.1=69, 2.1/2369=7...(8) QD1 LEU 42 + QG2 ILE 52 OK 36 98 - 37 - ~10599=4, 1941=4...(18) QD2 LEU 6 + QG2 ILE 52 OK 31 96 - 32 - 223=6, 2348/2.1=3...(13) QD1 ILE 8 + QG2 ILE 8 OK 23 29 - 80 - 3.0=77, 6107/4.1=2...(6) QD1 ILE 8 - QG2 ILE 52 OK 18 77 - 23 - 2.1/316=3, 2.1/308=2...(11) QD1 ILE 52 - QG2 ILE 8 OK 11 45 - 25 - 2377=4, 10640/3.1=3...(7) QD1 ILE 56 - QG2 ILE 8 OK 11 32 - 34 - ~10383=6, 324=4, ~8312=2...(16) QD2 LEU 14 - QG2 ILE 8 poor 10 31 - 32 - 629/2.1=3, ~293=2...(14) QD1 ILE 56 - QG2 ILE 52 poor 9 84 - 11 - ~9155=2, ~9307=1...(4) QG2 VAL 58 - QG2 ILE 8 poor 8 22 - 38 - ~8301=7, ~8300=6...(18) QD1 LEU 14 - QG2 ILE 8 poor 8 25 - 32 - ~293=2, 621/2.1=2...(16) QD2 LEU 14 - QG2 ILE 52 lone 6 81 - 7 - QD1 LEU 14 - QG2 ILE 52 lone 6 70 - 8 - QG2 VAL 58 - QG2 ILE 52 lone 5 61 - 9 - 2.1/12317=2, 4.0/10202=1 QD1 LEU 42 - QG2 ILE 8 lone 3 42 - 7 - 1939/2.1=1 QD2 LEU 6 - QG2 ILE 8 lone 3 40 - 7 - Peak 2357 from cnoeabs.peaks (8.47, 0.78, 17.78 ppm; 3.73 A): 2 out of 10 assignments used, quality = 0.93: * H LYS 53 + QG2 ILE 52 OK 90 100 - 90 - 4.3=64, 6868/3.2=26...(15) H ILE 7 + QG2 ILE 52 OK 36 94 - 38 - 6077=5, 2349/2.1=5...(12) H VAL 32 - QG2 ILE 52 OK 19 84 - 23 - 2349/2.1=4, 2381/3.1=3...(10) H ILE 7 - QG2 ILE 8 OK 19 39 - 49 - 6086/4.0=11, ~8299=7...(13) H VAL 32 - QG2 ILE 8 OK 14 32 - 44 - 10147/3.2=16...(11) H ALA 67 - QG2 ILE 52 OK 14 84 - 16 - 2349/2.1=3, 2381/3.1=2...(7) H LYS 53 - QG2 ILE 8 OK 11 45 - 25 - 6870=5, 6086/4.0=3...(9) H LEU 29 - QG2 ILE 52 poor 8 73 - 10 - 2349/2.1=1, 2365/3.2=1 H ALA 67 - QG2 ILE 8 poor 7 32 - 21 - 11115/3.2=3, 9520/3.0=2...(9) H LEU 29 - QG2 ILE 8 lone 2 27 - 7 - 6086/4.0=4 Peak 2358 from cnoeabs.peaks (7.49, 1.04, 27.19 ppm; 4.19 A): 2 out of 2 assignments used, quality = 0.92: * H ILE 52 + HG12 ILE 52 OK 88 100 - 88 - 5.1=56, 2366/1.8=23...(9) HZ2 TRP 92 + HG12 ILE 52 OK 37 100 - 37 - 2374/2.1=9, 2366/1.8=9...(6) Peak 2359 from cnoeabs.peaks (5.34, 1.04, 27.19 ppm; 4.29 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 52 + HG12 ILE 52 OK 100 100 - 100 - 3.8=100 HA THR 80 + HG12 ILE 52 OK 56 98 - 57 - 2343/3.0=12, 2375/2.1=12...(13) Peak 2360 from cnoeabs.peaks (1.67, 1.04, 27.19 ppm; 3.69 A): 1 out of 15 assignments used, quality = 1.00: * HB ILE 52 + HG12 ILE 52 OK 100 100 - 100 - 3.0=100 HB3 LYS 53 - HG12 ILE 52 OK 33 77 - 43 - 3.9/6871=13, ~9199=4...(19) HG3 LYS 20 - HG12 ILE 52 OK 27 99 - 27 - 2376/2.1=3, 897/1.8=3...(11) HD3 LYS 20 - HG12 ILE 52 OK 21 99 - 21 - 2376/2.1=2, 2.8/2363=2...(8) HD2 LYS 20 - HG12 ILE 52 OK 20 97 - 21 - 2376/2.1=2, 2.8/2363=2...(8) HD2 LYS 73 - HG12 ILE 52 OK 18 100 - 18 - 10854/3.2=2, 2376/2.1=2...(7) HD3 LYS 73 - HG12 ILE 52 OK 18 99 - 18 - 10854/3.2=2, 2376/2.1=2...(7) HB3 ARG 91 - HG12 ILE 52 OK 16 87 - 18 - 2376/2.1=2, 2.8/2363=2...(5) HB3 LYS 40 - HG12 ILE 52 OK 16 84 - 19 - 2376/2.1=2, 2352/3.2=1...(6) HD2 LYS 47 - HG12 ILE 52 poor 10 92 - 10 - 2376/2.1=1 HD3 LYS 47 - HG12 ILE 52 poor 9 90 - 10 - 2376/2.1=1 HD2 LYS 39 - HG12 ILE 52 lone 5 73 - 6 - HB3 ARG 79 - HG12 ILE 52 lone 3 73 - 4 - HD2 LYS 68 - HG12 ILE 52 lone 2 65 - 3 - HD3 LYS 68 - HG12 ILE 52 lone 2 61 - 3 - Peak 2361 from cnoeabs.peaks (0.78, 1.04, 27.19 ppm; 3.51 A): 2 out of 9 assignments used, quality = 1.00: * QG2 ILE 52 + HG12 ILE 52 OK 100 100 - 100 - 3.2=100 QD2 LEU 42 + HG12 ILE 52 OK 47 87 - 55 - 10599=14, 2.1/2364=7...(17) QD1 LEU 6 - HG12 ILE 52 OK 37 96 - 39 - 230/2.1=6, 2.1/2364=5...(18) QG2 ILE 8 - HG12 ILE 52 OK 36 96 - 37 - 2354=5, 2377/2.1=4...(15) QG1 VAL 54 - HG12 ILE 52 OK 29 70 - 42 - 2.1/9240=13, 10654=8...(11) QD1 LEU 27 - HG12 ILE 52 OK 15 92 - 17 - 2369/1.8=2, 2377/2.1=2...(5) QD1 ILE 93 - HG12 ILE 52 OK 14 94 - 14 - 2377/2.1=2, ~9177=1...(6) QD2 LEU 57 - HG12 ILE 52 lone 6 70 - 8 - 10696/2.1=1 QD1 ILE 15 - HG12 ILE 52 lone 2 61 - 4 - Peak 2362 from cnoeabs.peaks (1.04, 1.04, 27.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 52 + HG12 ILE 52 OK 100 100 - 100 Peak 2363 from cnoeabs.peaks (1.46, 1.04, 27.19 ppm; 2.73 A): 1 out of 14 assignments used, quality = 1.00: * HG13 ILE 52 + HG12 ILE 52 OK 100 100 - 100 - 1.8=100 HG LEU 38 - HG12 ILE 52 OK 25 100 - 25 - 2370=6, 2379/2.1=2...(10) HB2 LEU 38 - HG12 ILE 52 OK 22 100 - 22 - 3.0/2370=3, 8856/2.1=3...(6) HG2 LYS 53 - HG12 ILE 52 OK 19 98 - 19 - 5.0/6871=5, 2379/2.1=2...(5) HG3 LYS 53 - HG12 ILE 52 OK 17 90 - 19 - 5.0/6871=5, 3.0/2360=2...(5) HG2 LYS 20 - HG12 ILE 52 OK 14 100 - 14 - 1.8/2360=2, 2379/2.1=2...(6) HD2 LYS 53 - HG12 ILE 52 OK 14 100 - 14 - 5.9/6871=3, 3.6/2360=1...(4) HG3 ARG 91 - HG12 ILE 52 OK 11 99 - 11 - 2370=2, 2379/2.1=1 HB2 LEU 27 - HG12 ILE 52 lone 10 100 - 9 - 1194/3.2=1 HD2 LYS 40 - HG12 ILE 52 lone 9 97 - 9 - HD3 LYS 40 - HG12 ILE 52 lone 9 96 - 9 - HD2 LYS 82 - HG12 ILE 52 lone 5 100 - 5 - HG3 LYS 39 - HG12 ILE 52 lone 4 73 - 5 - HG2 LYS 12 - HG12 ILE 52 lone 2 87 - 2 - Peak 2364 from cnoeabs.peaks (0.69, 1.04, 27.19 ppm; 3.37 A): 2 out of 8 assignments used, quality = 1.00: * QD1 ILE 52 + HG12 ILE 52 OK 100 100 - 100 - 2.1=100 QD1 LEU 42 + HG12 ILE 52 OK 48 98 - 50 - 2.1/10599=14...(16) QD2 LEU 6 - HG12 ILE 52 OK 36 96 - 37 - 2.1/2361=4, 4.6/10371=4...(18) QD1 ILE 8 - HG12 ILE 52 OK 23 77 - 29 - ~10640=4, 3.0/2361=3...(14) QD1 ILE 56 - HG12 ILE 52 lone 8 84 - 10 - 2348/3.0=2, 2340/3.8=1...(5) QD2 LEU 14 - HG12 ILE 52 lone 8 81 - 10 - QD1 LEU 14 - HG12 ILE 52 poor 7 70 - 10 - QG2 VAL 58 - HG12 ILE 52 poor 7 61 - 11 - ~12317=2, ~9383=1 Peak 2365 from cnoeabs.peaks (8.47, 1.04, 27.19 ppm; 4.82 A): 2 out of 5 assignments used, quality = 0.94: * H LYS 53 + HG12 ILE 52 OK 90 100 - 90 - 6871=36, 6868/3.8=32...(19) H ILE 7 + HG12 ILE 52 OK 40 94 - 43 - 2381/2.1=10, 4.6/10371=9...(8) H VAL 32 - HG12 ILE 52 OK 21 84 - 25 - 2381/2.1=5, 2349/3.0=5...(7) H ALA 67 - HG12 ILE 52 OK 17 84 - 20 - 2381/2.1=4, 2373/1.8=3...(7) H LEU 29 - HG12 ILE 52 poor 10 73 - 13 - 2381/2.1=2, 2373/1.8=2...(6) Peak 2366 from cnoeabs.peaks (7.49, 1.46, 27.19 ppm; 3.81 A): 3 out of 6 assignments used, quality = 0.90: * H ILE 52 + HG13 ILE 52 OK 80 100 - 80 - 5.1=42, 6862/1.8=24...(9) HZ2 TRP 92 + HG13 ILE 52 OK 33 100 - 33 - 2358/1.8=10, 2374/2.1=8...(5) H ILE 52 + HG LEU 38 OK 22 91 - 25 - 6863=5, 3.0/2367=4...(9) H ILE 52 - HG3 ARG 91 poor 8 48 - 16 - 6863=3, 6856/2.9=3...(6) HZ2 TRP 92 - HG LEU 38 lone 4 90 - 4 - HZ2 TRP 92 - HG3 ARG 91 lone 1 48 - 3 - 8.7/7460=2 Peak 2367 from cnoeabs.peaks (5.34, 1.46, 27.19 ppm; 4.21 A): 2 out of 6 assignments used, quality = 1.00: * HA ILE 52 + HG13 ILE 52 OK 100 100 - 100 - 3.8=100 HA THR 80 + HG13 ILE 52 OK 53 98 - 54 - 2359/1.8=13, 2343/3.0=12...(10) HA ILE 52 - HG LEU 38 OK 33 91 - 36 - 3.0/2366=5, 3.8/2370=5...(14) HA THR 80 - HG LEU 38 OK 10 87 - 12 - ~9723=2, 3.2/10195=2 HA ILE 52 - HG3 ARG 91 poor 9 48 - 18 - 3.0/6863=2, ~6856=2...(9) HA THR 80 - HG3 ARG 91 lone 2 45 - 5 - Peak 2368 from cnoeabs.peaks (1.67, 1.46, 27.19 ppm; 3.01 A): 1 out of 45 assignments used, quality = 1.00: * HB ILE 52 + HG13 ILE 52 OK 100 100 - 100 - 3.0=100 HB3 ARG 91 - HG3 ARG 91 OK 37 37 - 100 - 2.8=100 HB ILE 52 - HG LEU 38 OK 27 91 - 30 - 3.0/2370=4, 12070/2.1=3...(11) HB3 LYS 40 - HG LEU 38 OK 26 71 - 37 - 12070/2.1=4, ~12071=3...(20) HG3 LYS 20 - HG13 ILE 52 OK 23 99 - 24 - 897=3, 2376/2.1=2...(9) HB3 ARG 91 - HG LEU 38 OK 21 74 - 28 - 1.8/4030=4, 12070/2.1=3...(11) HB3 LYS 53 - HG13 ILE 52 OK 20 77 - 26 - 3.9/2373=5, 2360/1.8=3...(10) HD3 LYS 20 - HG13 ILE 52 OK 18 99 - 18 - 2.8/897=2, 2376/2.1=2...(8) HD2 LYS 20 - HG13 ILE 52 OK 18 97 - 18 - 2.8/897=2, 2376/2.1=2...(8) HG3 LYS 20 - HG LEU 38 OK 15 89 - 17 - 897=2, 12070/2.1=2...(5) HD2 LYS 73 - HG13 ILE 52 OK 13 100 - 13 - 10854/3.2=1, 2360/1.8=1 HD3 LYS 73 - HG13 ILE 52 OK 13 99 - 13 - 10854/3.2=2, 2360/1.8=1 HB3 ARG 91 - HG13 ILE 52 OK 13 87 - 14 - 1.8/4030=2, 2360/1.8=1...(4) HG3 LYS 20 - HG3 ARG 91 OK 13 47 - 27 - 897=4, 3.0/863=2...(7) HD2 LYS 47 - HG3 ARG 91 OK 12 40 - 32 - 4039/1.8=2, 4028/2.8=2...(17) HD3 LYS 47 - HG3 ARG 91 OK 12 38 - 32 - 4039/1.8=2, 4028/2.8=2...(17) HB3 LYS 40 - HG13 ILE 52 OK 11 84 - 13 - 2376/2.1=1, 2360/1.8=1 HD3 LYS 20 - HG LEU 38 OK 11 89 - 12 - 2.8/897=1, 12070/2.1=1 HD3 LYS 20 - HG3 ARG 91 OK 11 47 - 23 - 2.8/897=2, 3.5/863=1...(8) HD2 LYS 20 - HG LEU 38 OK 10 85 - 12 - 2.8/897=1, 12070/2.1=1 HD2 LYS 20 - HG3 ARG 91 OK 10 44 - 23 - 2.8/897=2, 4039/1.8=2...(8) HD2 LYS 47 - HG13 ILE 52 lone 7 92 - 7 - HD3 LYS 47 - HG13 ILE 52 lone 7 90 - 7 - HD2 LYS 39 - HG LEU 38 poor 7 61 - 11 - 6.0/1649=1 HB ILE 52 - HG3 ARG 91 poor 6 48 - 12 - 3.0/2363=1, 2347=1 HB3 LYS 53 - HG LEU 38 lone 5 65 - 7 - 3.9/2373=1 HB3 LYS 53 - HG3 ARG 91 poor 5 31 - 15 - 1.8/2399=1, 2410=1 HD2 LYS 39 - HG13 ILE 52 lone 4 73 - 5 - HD2 LYS 68 - HG LEU 38 lone 3 54 - 6 - ~12320=1 HD2 LYS 73 - HG3 ARG 91 lone 3 48 - 6 - HD3 LYS 73 - HG3 ARG 91 lone 3 46 - 6 - HD3 LYS 68 - HG LEU 38 lone 3 50 - 6 - ~12320=1 HB3 LYS 40 - HG3 ARG 91 lone 3 35 - 8 - HD2 LYS 47 - HG LEU 38 lone 3 79 - 4 - HD3 LYS 47 - HG LEU 38 lone 3 77 - 3 - HD2 LYS 73 - HG LEU 38 lone 2 90 - 2 - HD3 LYS 73 - HG LEU 38 lone 2 88 - 2 - HB3 ARG 79 - HG13 ILE 52 lone 2 73 - 2 - HD2 LYS 68 - HG13 ILE 52 lone 1 65 - 2 - HD3 LYS 68 - HG13 ILE 52 lone 1 61 - 2 - HD2 LYS 39 - HG3 ARG 91 lone 1 29 - 2 - HB3 ARG 79 - HG LEU 38 lone 0 61 - 1 - HD2 LYS 68 - HG3 ARG 91 lone 0 25 - 1 - HD3 LYS 68 - HG3 ARG 91 lone 0 24 - 1 - HB3 ARG 79 - HG3 ARG 91 lone 0 29 - 0 - Peak 2369 from cnoeabs.peaks (0.78, 1.46, 27.19 ppm; 3.07 A): 2 out of 27 assignments used, quality = 0.95: * QG2 ILE 52 + HG13 ILE 52 OK 92 100 - 92 - 3.2=88, 2377/2.1=12...(7) QD2 LEU 42 + HG13 ILE 52 OK 37 87 - 43 - 10599/1.8=12, 2377/2.1=5...(16) QD2 LEU 42 - HG LEU 38 OK 29 74 - 39 - ~8921=10, 2.1/12082=5...(16) QD1 LEU 6 - HG13 ILE 52 OK 27 96 - 29 - 230/2.1=5, 2361/1.8=4...(14) QG2 ILE 52 - HG LEU 38 OK 27 91 - 30 - 3.2/2370=3, 2355=2...(13) QG2 ILE 8 - HG13 ILE 52 OK 27 96 - 28 - 2377/2.1=4, 2361/1.8=4...(10) QG1 VAL 54 - HG13 ILE 52 OK 21 70 - 30 - ~9240=7, 10654/1.8=6...(9) QD1 LEU 27 - HG13 ILE 52 OK 15 92 - 16 - 1222=2, 2361/1.8=2...(7) QD1 ILE 93 - HG13 ILE 52 OK 11 94 - 12 - 2377/2.1=2, 2.1/10641=2...(5) QG2 ILE 8 - HG LEU 38 lone 8 84 - 9 - 3.0/12201=1 QG2 ILE 52 - HG3 ARG 91 poor 7 48 - 13 - 2355=1, 3.2/2363=1...(4) QD1 LEU 6 - HG LEU 38 lone 6 84 - 7 - ~10231=2 QD1 LEU 27 - HG LEU 38 lone 5 79 - 6 - QD2 LEU 57 - HG13 ILE 52 lone 4 70 - 6 - 10696/2.1=1 QD2 LEU 57 - HG LEU 38 lone 3 58 - 5 - QD1 ILE 15 - HG LEU 38 lone 3 50 - 6 - QD1 ILE 93 - HG LEU 38 lone 3 82 - 3 - QD1 ILE 93 - HG3 ARG 91 lone 2 41 - 6 - 9955/4.8=2, 10325/4.0=2 QD1 ILE 15 - HG13 ILE 52 lone 2 61 - 3 - QG1 VAL 54 - HG LEU 38 lone 2 58 - 3 - QD1 LEU 27 - HG3 ARG 91 lone 2 40 - 4 - QD2 LEU 57 - HG3 ARG 91 lone 1 27 - 5 - 10697/4.0=1 QD2 LEU 42 - HG3 ARG 91 lone 1 37 - 3 - 9955/4.8=1 QG2 ILE 8 - HG3 ARG 91 lone 1 43 - 2 - QD1 LEU 6 - HG3 ARG 91 lone 1 43 - 2 - QD1 ILE 15 - HG3 ARG 91 lone 1 24 - 3 - QG1 VAL 54 - HG3 ARG 91 lone 1 27 - 2 - Peak 2370 from cnoeabs.peaks (1.04, 1.46, 27.19 ppm; 2.57 A): 1 out of 9 assignments used, quality = 1.00: * HG12 ILE 52 + HG13 ILE 52 OK 100 100 - 100 - 1.8=100 HG12 ILE 52 - HG LEU 38 OK 20 91 - 22 - 2363=4, 2.1/2379=2...(8) HB3 ARG 81 - HG13 ILE 52 OK 13 73 - 17 - 2378/2.1=3, 2346/3.0=2...(8) HB3 LEU 55 - HG13 ILE 52 OK 12 81 - 15 - 2378/2.1=3, 2354/3.2=2...(8) HG12 ILE 52 - HG3 ARG 91 lone 5 48 - 10 - 2363=2 HB3 ARG 81 - HG LEU 38 lone 3 61 - 5 - HB3 LEU 55 - HG LEU 38 lone 1 68 - 1 - HB3 ARG 81 - HG3 ARG 91 lone 0 29 - 1 - HB3 LEU 55 - HG3 ARG 91 lone 0 33 - 0 - Peak 2371 from cnoeabs.peaks (1.46, 1.46, 27.19 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG13 ILE 52 + HG13 ILE 52 OK 100 100 - 100 HG LEU 38 + HG LEU 38 OK 91 91 - 100 HG3 ARG 91 + HG3 ARG 91 OK 46 46 - 100 Peak 2372 from cnoeabs.peaks (0.69, 1.46, 27.19 ppm; 2.92 A): 1 out of 24 assignments used, quality = 1.00: * QD1 ILE 52 + HG13 ILE 52 OK 100 100 - 100 - 2.1=100 QD1 LEU 42 - HG13 ILE 52 OK 41 98 - 43 - ~10599=9, 2364/1.8=5...(17) QD1 LEU 42 - HG LEU 38 OK 32 87 - 37 - ~8921=9, 12082=5...(16) QD2 LEU 6 - HG13 ILE 52 OK 26 96 - 27 - 2364/1.8=4, 223/3.2=3...(13) QD1 ILE 52 - HG LEU 38 OK 25 91 - 28 - 2.1/2370=4, 2379=4...(10) QD1 ILE 8 - HG13 ILE 52 OK 18 77 - 24 - ~10640=3, 2364/1.8=3...(12) QD2 LEU 14 - HG13 ILE 52 lone 7 81 - 8 - QD1 ILE 56 - HG13 ILE 52 lone 6 84 - 7 - 2348/3.0=1 QD1 ILE 52 - HG3 ARG 91 poor 6 48 - 12 - 2379=2, 2.1/2363=1 QD1 LEU 14 - HG13 ILE 52 lone 6 70 - 8 - QD2 LEU 6 - HG LEU 38 lone 6 84 - 7 - ~10231=2 QG2 VAL 58 - HG13 ILE 52 lone 6 61 - 9 - ~12317=2 QD1 ILE 56 - HG LEU 38 lone 5 71 - 8 - 8856/3.0=1, 8857/3.0=1 QD1 ILE 8 - HG LEU 38 lone 5 65 - 8 - 8856/3.0=1, 8857/3.0=1 QD2 LEU 14 - HG LEU 38 lone 4 68 - 6 - 8856/3.0=1 QG2 VAL 58 - HG LEU 38 lone 3 50 - 7 - ~9382=1 QD1 LEU 14 - HG LEU 38 lone 3 58 - 5 - QD1 LEU 42 - HG3 ARG 91 lone 1 45 - 2 - QD2 LEU 6 - HG3 ARG 91 lone 1 43 - 1 - QG2 VAL 58 - HG3 ARG 91 lone 0 24 - 2 - QD2 LEU 14 - HG3 ARG 91 lone 0 33 - 1 - QD1 ILE 8 - HG3 ARG 91 lone 0 31 - 1 - QD1 ILE 56 - HG3 ARG 91 lone 0 35 - 1 - QD1 LEU 14 - HG3 ARG 91 lone 0 27 - 1 - Peak 2373 from cnoeabs.peaks (8.47, 1.46, 27.19 ppm; 4.25 A): 6 out of 15 assignments used, quality = 0.93: * H LYS 53 + HG13 ILE 52 OK 79 100 - 79 - 6868/3.8=27, 6871/1.8=26...(13) H ILE 7 + HG13 ILE 52 OK 31 94 - 33 - 2381/2.1=8, 2365/1.8=7...(6) H LYS 53 + HG LEU 38 OK 20 91 - 22 - 3.6/2367=4, 4.4/2366=4...(7) H VAL 32 + HG13 ILE 52 OK 19 84 - 23 - 2349/3.0=4, 2381/2.1=4...(7) H ALA 67 + HG13 ILE 52 OK 15 84 - 18 - 2381/2.1=3, 2365/1.8=3...(7) H VAL 32 + HG LEU 38 OK 11 71 - 16 - 4.0/8944=6, 6511/2.1=3...(4) H LEU 29 - HG13 ILE 52 poor 9 73 - 11 - 2365/1.8=2, 2381/2.1=2...(5) H LYS 53 - HG3 ARG 91 poor 8 48 - 16 - 4.4/6863=2, 6876/2.8=2...(8) H ALA 67 - HG LEU 38 lone 5 71 - 7 - 9519/2.1=1, ~9526=1 H ILE 7 - HG LEU 38 lone 4 82 - 5 - H LEU 29 - HG LEU 38 lone 2 61 - 4 - H ILE 7 - HG3 ARG 91 lone 1 41 - 3 - H VAL 32 - HG3 ARG 91 lone 1 35 - 3 - H ALA 67 - HG3 ARG 91 lone 1 35 - 3 - H LEU 29 - HG3 ARG 91 lone 1 29 - 2 - Peak 2374 from cnoeabs.peaks (7.49, 0.69, 14.38 ppm; 4.59 A): 1 out of 2 assignments used, quality = 0.97: * H ILE 52 + QD1 ILE 52 OK 97 100 - 97 - 4.8=88, 6862/2.1=29...(12) HZ2 TRP 92 - QD1 ILE 52 OK 42 100 - 42 - 2358/2.1=12, 2366/2.1=10...(6) Peak 2375 from cnoeabs.peaks (5.34, 0.69, 14.38 ppm; 4.50 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 52 + QD1 ILE 52 OK 100 100 - 100 - 4.1=100 HA THR 80 + QD1 ILE 52 OK 55 98 - 56 - 2359/2.1=14, 2343/3.2=12...(11) Peak 2376 from cnoeabs.peaks (1.67, 0.69, 14.38 ppm; 3.47 A): 1 out of 15 assignments used, quality = 1.00: * HB ILE 52 + QD1 ILE 52 OK 100 100 - 100 - 3.2=100 HB3 LYS 53 - QD1 ILE 52 OK 26 77 - 34 - 3.9/2381=6, ~9199=4...(19) HG3 LYS 20 - QD1 ILE 52 OK 26 99 - 26 - 897/2.1=3, 2360/2.1=3...(8) HD3 LYS 20 - QD1 ILE 52 OK 19 99 - 20 - 2360/2.1=2, 2.8/2379=2...(7) HD2 LYS 20 - QD1 ILE 52 OK 19 97 - 20 - 2360/2.1=2, 2.8/2379=2...(7) HB3 LYS 40 - QD1 ILE 52 OK 17 84 - 20 - 4.3/8870=2, 2360/2.1=2...(7) HD2 LYS 73 - QD1 ILE 52 OK 17 100 - 17 - 10854/3.1=2, 2360/2.1=2...(7) HD3 LYS 73 - QD1 ILE 52 OK 17 99 - 17 - 10854/3.1=2, 2360/2.1=2...(7) HB3 ARG 91 - QD1 ILE 52 OK 14 87 - 16 - 2360/2.1=2, 2.8/2379=1...(4) HD2 LYS 47 - QD1 ILE 52 OK 10 92 - 11 - 3.0/9174=2, 3.0/9174=2 HD3 LYS 47 - QD1 ILE 52 OK 10 90 - 11 - 3.0/9174=2, 3.0/9174=2 HD2 LYS 39 - QD1 ILE 52 poor 7 73 - 10 - 4.9/8953=2, 3.6/10566=2 HB3 ARG 79 - QD1 ILE 52 lone 2 73 - 3 - HD2 LYS 68 - QD1 ILE 52 lone 2 65 - 3 - HD3 LYS 68 - QD1 ILE 52 lone 2 61 - 3 - Peak 2377 from cnoeabs.peaks (0.78, 0.69, 14.38 ppm; 3.00 A): 1 out of 9 assignments used, quality = 0.96: * QG2 ILE 52 + QD1 ILE 52 OK 96 100 - 96 - 3.1=93, 2369/2.1=8...(10) QD2 LEU 42 - QD1 ILE 52 OK 43 87 - 49 - 10599/2.1=10, 1948=6...(21) QD1 LEU 6 - QD1 ILE 52 OK 36 96 - 37 - 230=6, 2.1/214=3...(17) QG2 ILE 8 - QD1 ILE 52 OK 29 96 - 30 - 3.1/10640=4, 2361/2.1=3...(9) QG1 VAL 54 - QD1 ILE 52 OK 20 70 - 29 - ~9240=6, 10654/2.1=6...(8) QD1 ILE 93 - QD1 ILE 52 OK 12 94 - 13 - 2.1/9177=2, 2361/2.1=1 QD1 LEU 27 - QD1 ILE 52 OK 11 92 - 12 - 2369/2.1=1, 2361/2.1=1 QD2 LEU 57 - QD1 ILE 52 lone 5 70 - 8 - 10696=1 QD1 ILE 15 - QD1 ILE 52 lone 3 61 - 4 - Peak 2378 from cnoeabs.peaks (1.04, 0.69, 14.38 ppm; 3.33 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 52 + QD1 ILE 52 OK 100 100 - 100 - 2.1=100 HB3 ARG 81 - QD1 ILE 52 OK 22 73 - 30 - 2346/3.2=4, 2354/3.1=4...(13) HB3 LEU 55 - QD1 ILE 52 OK 21 81 - 25 - 2354/3.1=4, 2346/3.2=4...(11) Peak 2379 from cnoeabs.peaks (1.46, 0.69, 14.38 ppm; 3.23 A): 1 out of 14 assignments used, quality = 1.00: * HG13 ILE 52 + QD1 ILE 52 OK 100 100 - 100 - 2.1=100 HB2 LEU 38 - QD1 ILE 52 OK 34 100 - 34 - 8856=4, 2363/2.1=3...(14) HG LEU 38 - QD1 ILE 52 OK 34 100 - 34 - 2370/2.1=5, 2372=4...(16) HG2 LYS 53 - QD1 ILE 52 OK 24 98 - 25 - 5.0/2381=4, 2363/2.1=3...(8) HG2 LYS 20 - QD1 ILE 52 OK 23 100 - 23 - 1.8/2376=3, 3.7/9171=2...(9) HG3 LYS 53 - QD1 ILE 52 OK 22 90 - 25 - 5.0/2381=4, 2363/2.1=2...(8) HD2 LYS 53 - QD1 ILE 52 OK 18 100 - 18 - 5.9/2381=3, 2363/2.1=2...(6) HG3 ARG 91 - QD1 ILE 52 OK 15 99 - 15 - 2363/2.1=2, 2.8/2376=1, 2372=1 HD2 LYS 40 - QD1 ILE 52 OK 14 97 - 15 - 2363/2.1=1, 3.5/2376=1 HD3 LYS 40 - QD1 ILE 52 OK 14 96 - 15 - 2363/2.1=1, 3.5/2376=1 HB2 LEU 27 - QD1 ILE 52 OK 14 100 - 14 - 1194/3.1=2, 2363/2.1=1 HD2 LYS 82 - QD1 ILE 52 lone 10 100 - 9 - 3.5/9757=1, 3.5/9759=1 HG3 LYS 39 - QD1 ILE 52 poor 8 73 - 11 - 3.9/8953=2, 3.0/10566=1 HG2 LYS 12 - QD1 ILE 52 lone 4 87 - 4 - Peak 2380 from cnoeabs.peaks (0.69, 0.69, 14.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 52 + QD1 ILE 52 OK 100 100 - 100 Peak 2381 from cnoeabs.peaks (8.47, 0.69, 14.38 ppm; 4.86 A): 2 out of 5 assignments used, quality = 0.95: * H LYS 53 + QD1 ILE 52 OK 89 100 - 89 - 6868/4.1=31, 6871/2.1=30...(18) H ILE 7 + QD1 ILE 52 OK 53 94 - 57 - 2365/2.1=9, 6076=7...(14) H VAL 32 - QD1 ILE 52 OK 28 84 - 33 - 2349/3.2=5, 2365/2.1=5...(10) H ALA 67 - QD1 ILE 52 OK 22 84 - 26 - 2365/2.1=4, 2373/2.1=3...(8) H LEU 29 - QD1 ILE 52 OK 11 73 - 14 - 2365/2.1=2, 2373/2.1=2...(4) Peak 2383 from cnoeabs.peaks (5.04, 5.04, 55.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 53 + HA LYS 53 OK 100 100 - 100 Peak 2384 from cnoeabs.peaks (1.84, 5.04, 55.43 ppm; 3.47 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 53 + HA LYS 53 OK 100 100 - 100 - 3.0=100 HB3 LYS 90 - HA LYS 53 OK 30 97 - 30 - 2406/3.0=6, 6875/3.0=3...(15) HB2 LYS 68 - HA LYS 53 OK 20 100 - 20 - 6887/3.6=4, 2406/3.0=3...(7) HG2 ARG 46 - HA LYS 53 OK 11 73 - 15 - 2406/3.0=2, 2439/5.3=2...(6) HB3 LEU 57 - HA LYS 53 lone 4 70 - 6 - 6875/3.0=1 Peak 2385 from cnoeabs.peaks (1.69, 5.04, 55.43 ppm; 3.99 A): 2 out of 22 assignments used, quality = 1.00: * HB3 LYS 53 + HA LYS 53 OK 100 100 - 100 - 3.0=100 HB ILE 52 + HA LYS 53 OK 55 77 - 72 - 2.1/9199=14, ~6868=11...(26) HD3 LYS 90 - HA LYS 53 OK 32 90 - 36 - 3.6/2384=5, 2396/3.0=4...(20) HG3 LYS 20 - HA LYS 53 OK 31 90 - 35 - 1.8/2416=4, 2396/3.0=3...(18) HB3 LYS 40 - HA LYS 53 OK 26 100 - 27 - 2396/3.0=3, 6876/3.0=2...(13) HD2 LYS 20 - HA LYS 53 OK 26 96 - 28 - 2.8/2416=3, 2396/3.0=2...(10) HD3 LYS 20 - HA LYS 53 OK 24 90 - 27 - 2.8/2416=3, 2396/3.0=2...(11) HB3 ARG 91 - HA LYS 53 OK 22 100 - 22 - 2396/3.0=3, 2440/5.3=2...(7) HB2 LEU 2 - HA LYS 53 poor 9 73 - 12 - ~9184=3, 6876/3.0=2, 52/3.6=1 HG2 PRO 86 - HA LYS 53 lone 7 97 - 7 - ~9180=1 HG12 ILE 15 - HA LYS 53 lone 5 96 - 5 - HD3 LYS 47 - HA LYS 53 lone 5 99 - 5 - HD2 LYS 47 - HA LYS 53 lone 5 99 - 5 - HD3 LYS 66 - HA LYS 53 lone 4 73 - 6 - 2951/3.6=1, ~2940=1 HD2 LYS 12 - HA LYS 53 lone 4 77 - 5 - HD3 LYS 12 - HA LYS 53 lone 4 77 - 5 - HD2 LYS 24 - HA LYS 53 lone 3 92 - 3 - HD3 LYS 24 - HA LYS 53 lone 3 90 - 3 - HD2 LYS 73 - HA LYS 53 lone 2 65 - 3 - HG LEU 70 - HA LYS 53 lone 2 84 - 2 - HD2 LYS 13 - HA LYS 53 lone 1 77 - 2 - HD3 LYS 13 - HA LYS 53 lone 1 70 - 2 - Peak 2386 from cnoeabs.peaks (1.46, 5.04, 55.43 ppm; 3.35 A): 4 out of 14 assignments used, quality = 1.00: * HG2 LYS 53 + HA LYS 53 OK 90 100 - 90 - 3.9=65, 3.0/2438=13...(32) HG3 LYS 53 + HA LYS 53 OK 89 99 - 90 - 3.9=65, 3.0/2438=13...(34) HD2 LYS 53 + HA LYS 53 OK 75 99 - 76 - 5.3=25, 1.8/2449=11...(31) HG13 ILE 52 + HA LYS 53 OK 49 98 - 50 - ~6871=8, 3.2/9199=8...(18) HG2 LYS 20 - HA LYS 53 OK 20 98 - 20 - 2416=3, 1.8/2385=2...(10) HD2 LYS 40 - HA LYS 53 OK 19 100 - 19 - 2408/3.0=1, 2397/3.0=1...(4) HD3 LYS 40 - HA LYS 53 OK 19 100 - 19 - 2408/3.0=1, 2397/3.0=1...(4) HD2 LYS 82 - HA LYS 53 OK 15 99 - 15 - 1.8/2389=2, 2.9/10935=2...(8) HG3 ARG 91 - HA LYS 53 poor 9 90 - 10 - 2.8/2385=1, 2410/3.0=1 HG LEU 38 - HA LYS 53 lone 7 99 - 7 - 2373/3.0=2 HB2 LEU 38 - HA LYS 53 lone 7 96 - 7 - HB2 LEU 27 - HA LYS 53 lone 6 98 - 6 - 3.1/9199=1 HG2 LYS 12 - HA LYS 53 lone 2 65 - 2 - HG LEU 64 - HA LYS 53 lone 1 70 - 1 - Peak 2387 from cnoeabs.peaks (1.47, 5.04, 55.43 ppm; 3.35 A): 3 out of 14 assignments used, quality = 1.00: * HG3 LYS 53 + HA LYS 53 OK 90 100 - 90 - 3.9=65, 3.0/2438=13...(34) HG2 LYS 53 + HA LYS 53 OK 89 99 - 90 - 3.9=65, 3.0/2438=13...(31) HD2 LYS 53 + HA LYS 53 OK 71 94 - 75 - 5.3=25, 1.8/2449=11...(31) HG13 ILE 52 - HA LYS 53 OK 44 90 - 49 - ~6871=8, 3.2/9199=8...(18) HD3 LYS 40 - HA LYS 53 OK 19 100 - 19 - 2409/3.0=2, 2398/3.0=1...(4) HD2 LYS 40 - HA LYS 53 OK 19 99 - 19 - 2409/3.0=1, 2398/3.0=1...(4) HG2 LYS 20 - HA LYS 53 OK 18 90 - 20 - 2416=3, 1.8/2385=2...(10) HD2 LYS 82 - HA LYS 53 OK 14 94 - 15 - 1.8/2389=2, 2.9/10935=2...(8) HB2 ARG 91 - HA LYS 53 poor 8 65 - 13 - 1.8/2385=2, ~2396=1 HG3 ARG 91 - HA LYS 53 lone 7 73 - 10 - 2.8/2385=1, 2408/3.0=1 HG LEU 38 - HA LYS 53 lone 6 94 - 6 - 2373/3.0=1 HB2 LEU 38 - HA LYS 53 lone 6 84 - 7 - HB2 LEU 27 - HA LYS 53 lone 5 90 - 6 - 3.1/9199=1 HG LEU 64 - HA LYS 53 lone 1 87 - 1 - Peak 2388 from cnoeabs.peaks (1.46, 5.04, 55.43 ppm; 3.35 A): 4 out of 14 assignments used, quality = 1.00: HG2 LYS 53 + HA LYS 53 OK 89 99 - 90 - 3.9=65, 3.0/2438=13...(32) HG3 LYS 53 + HA LYS 53 OK 85 94 - 90 - 3.9=65, 3.0/2438=13...(34) * HD2 LYS 53 + HA LYS 53 OK 76 100 - 76 - 5.3=25, 1.8/2449=11...(31) HG13 ILE 52 + HA LYS 53 OK 50 100 - 50 - ~6871=8, 3.2/9199=8...(18) HG2 LYS 20 - HA LYS 53 OK 20 100 - 20 - 2416=3, 1.8/2385=2...(10) HD2 LYS 40 - HA LYS 53 OK 19 99 - 19 - 2410/3.0=1, ~9183=1...(4) HD3 LYS 40 - HA LYS 53 OK 19 98 - 19 - 2408/3.0=1, ~9183=1...(4) HD2 LYS 82 - HA LYS 53 OK 15 100 - 15 - 1.8/2389=2, 2.9/10935=2...(8) HG3 ARG 91 - HA LYS 53 OK 10 97 - 11 - 2.8/2385=1, 2410/3.0=1 HG LEU 38 - HA LYS 53 lone 7 100 - 7 - 2373/3.0=2 HB2 LEU 38 - HA LYS 53 lone 7 99 - 7 - HB2 LEU 27 - HA LYS 53 lone 6 100 - 6 - 3.1/9199=1 HG2 LYS 12 - HA LYS 53 lone 2 81 - 3 - HG3 LYS 39 - HA LYS 53 lone 2 65 - 3 - Peak 2389 from cnoeabs.peaks (1.55, 5.04, 55.43 ppm; 4.40 A): 2 out of 7 assignments used, quality = 1.00: * HD3 LYS 53 + HA LYS 53 OK 97 100 - 97 - 5.3=57, 1.8/2438=30...(39) HB2 LEU 3 + HA LYS 53 OK 87 100 - 87 - ~9186=16, ~9182=16...(25) HD3 LYS 82 - HA LYS 53 OK 28 81 - 35 - 2400/3.0=4, 2411/3.0=4...(19) HB3 GLU 28 - HA LYS 53 OK 15 90 - 17 - 1248/3.0=3, 6892/3.6=2...(6) HG3 ARG 79 - HA LYS 53 poor 8 70 - 12 - 4.7/2392=3, 6892/3.6=2...(4) HG2 LYS 33 - HA LYS 53 lone 8 99 - 8 - 6880/3.0=1, 6892/3.6=1...(4) HG2 ARG 79 - HA LYS 53 poor 7 65 - 11 - 4.7/2392=3, 6892/3.6=2 Peak 2392 from cnoeabs.peaks (8.49, 5.04, 55.43 ppm; 3.10 A): 2 out of 6 assignments used, quality = 0.85: * H VAL 54 + HA LYS 53 OK 83 100 - 83 - 3.6=66, 6887/3.0=15...(13) H ARG 79 + HA LYS 53 OK 13 94 - 14 - 2403/3.0=2, 2414/3.0=2...(5) H THR 31 - HA LYS 53 lone 10 98 - 10 - 2414/3.0=2, 2403/3.0=2 H ALA 67 - HA LYS 53 poor 10 92 - 10 - 2403/3.0=2, 2414/3.0=2 H VAL 32 - HA LYS 53 lone 8 92 - 9 - 2403/3.0=2, 2414/3.0=2 H LEU 2 - HA LYS 53 lone 3 61 - 4 - Peak 2393 from cnoeabs.peaks (8.47, 1.84, 36.45 ppm; 4.15 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 53 + HB2 LYS 53 OK 100 100 - 100 - 3.9=100 H ILE 7 - HB2 LYS 53 OK 34 94 - 37 - 2404/1.8=7, 8269=6...(14) H ALA 67 - HB2 LYS 53 OK 15 84 - 17 - 2404/1.8=3, 4.6/7107=3...(6) H VAL 32 - HB2 LYS 53 OK 11 84 - 13 - 2404/1.8=3, 2437/3.6=2...(6) H LEU 29 - HB2 LYS 53 OK 11 73 - 15 - 4.8/8671=3, 2404/1.8=2...(5) Peak 2394 from cnoeabs.peaks (5.04, 1.84, 36.45 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 53 + HB2 LYS 53 OK 100 100 - 100 - 3.0=100 HA SER 59 - HB2 LYS 53 OK 10 61 - 16 - 2405/1.8=4, 2438/3.6=2...(7) Peak 2395 from cnoeabs.peaks (1.84, 1.84, 36.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 53 + HB2 LYS 53 OK 100 100 - 100 Peak 2396 from cnoeabs.peaks (1.69, 1.84, 36.45 ppm; 2.89 A): 1 out of 22 assignments used, quality = 1.00: * HB3 LYS 53 + HB2 LYS 53 OK 100 100 - 100 - 1.8=100 HD3 LYS 90 - HB2 LYS 53 OK 28 90 - 31 - 3982=4, 1.8/3971=4...(12) HG3 LYS 20 - HB2 LYS 53 OK 20 90 - 23 - 1.8/2417=2, 897/3.0=2...(6) HB3 LYS 40 - HB2 LYS 53 OK 18 100 - 18 - ~1786=1, 2440/3.6=1...(8) HB ILE 52 - HB2 LYS 53 OK 18 77 - 24 - 2349/3.9=4, ~9199=3...(6) HB3 ARG 91 - HB2 LYS 53 OK 17 100 - 17 - 3.9/7434=1, 2440/3.6=1 HD2 LYS 20 - HB2 LYS 53 OK 16 96 - 17 - 2440/3.6=2, 2.8/2417=1...(5) HD3 LYS 20 - HB2 LYS 53 OK 15 90 - 17 - 2440/3.6=1, 2.8/2417=1...(4) HG2 PRO 86 - HB2 LYS 53 lone 5 97 - 5 - HG12 ILE 15 - HB2 LYS 53 lone 4 96 - 4 - HB2 LEU 2 - HB2 LYS 53 lone 4 73 - 5 - HD3 LYS 47 - HB2 LYS 53 lone 3 99 - 3 - HD2 LYS 47 - HB2 LYS 53 lone 3 99 - 3 - HD2 LYS 12 - HB2 LYS 53 lone 3 77 - 3 - HD3 LYS 12 - HB2 LYS 53 lone 3 77 - 3 - HD2 LYS 24 - HB2 LYS 53 lone 2 92 - 2 - HD3 LYS 24 - HB2 LYS 53 lone 2 90 - 2 - HD3 LYS 66 - HB2 LYS 53 lone 2 73 - 2 - HG LEU 70 - HB2 LYS 53 lone 1 84 - 1 - HD2 LYS 13 - HB2 LYS 53 lone 1 77 - 1 - HD2 LYS 73 - HB2 LYS 53 lone 1 65 - 1 - HD3 LYS 13 - HB2 LYS 53 lone 1 70 - 1 - Peak 2397 from cnoeabs.peaks (1.46, 1.84, 36.45 ppm; 3.24 A): 3 out of 14 assignments used, quality = 1.00: * HG2 LYS 53 + HB2 LYS 53 OK 100 100 - 100 - 3.0=100 HG3 LYS 53 + HB2 LYS 53 OK 99 99 - 100 - 3.0=100 HD2 LYS 53 + HB2 LYS 53 OK 94 99 - 95 - 3.6=70, 2440/1.8=13...(43) HG2 LYS 20 - HB2 LYS 53 OK 27 98 - 28 - 1.8/2396=3, 2417=3...(8) HG13 ILE 52 - HB2 LYS 53 OK 25 98 - 25 - 2373/3.9=5, 2388/3.0=3...(11) HD2 LYS 40 - HB2 LYS 53 OK 22 100 - 22 - 2408/1.8=2, 3.5/2396=2...(8) HD3 LYS 40 - HB2 LYS 53 OK 22 100 - 22 - 2408/1.8=2, 3.5/2396=2...(8) HD2 LYS 82 - HB2 LYS 53 OK 19 99 - 19 - 1.8/2400=3, ~2411=2...(6) HG3 ARG 91 - HB2 LYS 53 OK 15 90 - 17 - 2.8/2396=2, 2410/1.8=1...(4) HG LEU 38 - HB2 LYS 53 lone 7 99 - 6 - 2373/3.9=1 HB2 LEU 27 - HB2 LYS 53 lone 6 98 - 7 - 8113/9186=1 HB2 LEU 38 - HB2 LYS 53 lone 6 96 - 6 - HG2 LYS 12 - HB2 LYS 53 lone 2 65 - 3 - HG LEU 64 - HB2 LYS 53 lone 1 70 - 1 - Peak 2398 from cnoeabs.peaks (1.47, 1.84, 36.45 ppm; 3.24 A): 3 out of 14 assignments used, quality = 1.00: * HG3 LYS 53 + HB2 LYS 53 OK 100 100 - 100 - 3.0=100 HG2 LYS 53 + HB2 LYS 53 OK 99 99 - 100 - 3.0=100 HD2 LYS 53 + HB2 LYS 53 OK 89 94 - 94 - 3.6=70, 2440/1.8=12...(43) HG2 LYS 20 - HB2 LYS 53 OK 25 90 - 28 - 1.8/2396=3, 2417=3...(8) HD3 LYS 40 - HB2 LYS 53 OK 22 100 - 22 - 2409/1.8=2, 3.5/2396=2...(8) HD2 LYS 40 - HB2 LYS 53 OK 22 99 - 22 - 2409/1.8=2, 3.5/2396=2...(8) HG13 ILE 52 - HB2 LYS 53 OK 22 90 - 24 - 2373/3.9=4, ~9199=3...(11) HD2 LYS 82 - HB2 LYS 53 OK 17 94 - 18 - 1.8/2400=3, ~2411=2...(6) HB2 ARG 91 - HB2 LYS 53 OK 13 65 - 20 - 1.8/2396=3, 3.9/7434=2 HG3 ARG 91 - HB2 LYS 53 OK 12 73 - 17 - 2.8/2396=2, 4.8/7434=1...(4) HG LEU 38 - HB2 LYS 53 lone 6 94 - 6 - 2373/3.9=1 HB2 LEU 27 - HB2 LYS 53 lone 6 90 - 6 - 8113/9186=1 HB2 LEU 38 - HB2 LYS 53 lone 5 84 - 6 - HG LEU 64 - HB2 LYS 53 lone 1 87 - 2 - Peak 2399 from cnoeabs.peaks (1.46, 1.84, 36.45 ppm; 3.24 A): 3 out of 14 assignments used, quality = 1.00: HG2 LYS 53 + HB2 LYS 53 OK 99 99 - 100 - 3.0=100 * HD2 LYS 53 + HB2 LYS 53 OK 95 100 - 95 - 3.6=70, 2440/1.8=13...(43) HG3 LYS 53 + HB2 LYS 53 OK 94 94 - 100 - 3.0=100 HG2 LYS 20 - HB2 LYS 53 OK 28 100 - 28 - 1.8/2396=3, 2417=3...(8) HG13 ILE 52 - HB2 LYS 53 OK 26 100 - 26 - 2373/3.9=5, 2388/3.0=3...(11) HD2 LYS 40 - HB2 LYS 53 OK 22 99 - 22 - 2410/1.8=2, 3.5/2396=2...(8) HD3 LYS 40 - HB2 LYS 53 OK 21 98 - 22 - 2408/1.8=2, 3.5/2396=2...(8) HD2 LYS 82 - HB2 LYS 53 OK 19 100 - 19 - 1.8/2400=3, ~2411=2...(6) HG3 ARG 91 - HB2 LYS 53 OK 17 97 - 17 - 2.8/2396=2, 2410/1.8=1...(5) HG LEU 38 - HB2 LYS 53 lone 7 100 - 7 - 2373/3.9=1 HB2 LEU 27 - HB2 LYS 53 lone 7 100 - 7 - 8113/9186=1 HB2 LEU 38 - HB2 LYS 53 lone 6 99 - 6 - HG2 LYS 12 - HB2 LYS 53 lone 2 81 - 3 - HG3 LYS 39 - HB2 LYS 53 lone 1 65 - 2 - Peak 2400 from cnoeabs.peaks (1.55, 1.84, 36.45 ppm; 3.86 A): 2 out of 7 assignments used, quality = 1.00: * HD3 LYS 53 + HB2 LYS 53 OK 100 100 - 100 - 3.6=100 HB2 LEU 3 + HB2 LYS 53 OK 76 100 - 76 - 3.1/9186=29, 2411/1.8=11...(23) HD3 LYS 82 - HB2 LYS 53 OK 26 81 - 33 - 2411/1.8=4, 2444/3.6=3...(14) HB3 GLU 28 - HB2 LYS 53 OK 13 90 - 15 - 2411/1.8=2, 1248/3.9=2...(7) HG2 LYS 33 - HB2 LYS 53 lone 8 99 - 7 - 2411/1.8=1 HG3 ARG 79 - HB2 LYS 53 lone 7 70 - 10 - 4.7/2403=2, 6892/4.4=1 HG2 ARG 79 - HB2 LYS 53 lone 6 65 - 9 - 4.7/2403=2, 6892/4.4=1 Peak 2401 from cnoeabs.peaks (2.83, 1.84, 36.45 ppm; 4.68 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 53 + HB2 LYS 53 OK 99 100 - 99 - 5.0=80, 2413/1.8=20...(44) HE3 LYS 53 + HB2 LYS 53 OK 99 100 - 99 - 5.0=80, 2413/1.8=20...(44) HE2 LYS 90 - HB2 LYS 53 OK 29 61 - 48 - 1.8/4004=8, 3.0/3971=7...(18) Peak 2402 from cnoeabs.peaks (2.83, 1.84, 36.45 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 53 + HB2 LYS 53 OK 99 100 - 99 - 5.0=80, 2413/1.8=20...(44) HE2 LYS 53 + HB2 LYS 53 OK 99 100 - 99 - 5.0=80, 2413/1.8=20...(44) Peak 2403 from cnoeabs.peaks (8.49, 1.84, 36.45 ppm; 3.92 A): 2 out of 6 assignments used, quality = 0.93: * H VAL 54 + HB2 LYS 53 OK 91 100 - 91 - 4.4=72, 6886/3.0=35...(12) H ARG 79 + HB2 LYS 53 OK 21 94 - 23 - 2414/1.8=5, 2392/3.0=4...(9) H ALA 67 - HB2 LYS 53 OK 19 92 - 20 - 2414/1.8=4, 2392/3.0=3...(7) H THR 31 - HB2 LYS 53 OK 15 98 - 16 - 2414/1.8=4, 2392/3.0=3...(6) H VAL 32 - HB2 LYS 53 OK 14 92 - 15 - 2414/1.8=3, 2392/3.0=2...(6) H LEU 2 - HB2 LYS 53 lone 4 61 - 7 - 2414/1.8=1 Peak 2404 from cnoeabs.peaks (8.47, 1.69, 36.45 ppm; 4.17 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 53 + HB3 LYS 53 OK 100 100 - 100 - 3.9=100 H ILE 7 - HB3 LYS 53 OK 29 94 - 31 - 2393/1.8=8, 3.0/9203=5...(10) H ALA 67 - HB3 LYS 53 OK 13 84 - 15 - 2393/1.8=3, 2437/3.6=2...(6) H VAL 32 - HB3 LYS 53 OK 12 84 - 14 - 2393/1.8=3, 2437/3.6=2...(6) H LEU 29 - HB3 LYS 53 poor 9 73 - 13 - 2393/1.8=2, 2448/3.6=2...(4) Peak 2405 from cnoeabs.peaks (5.04, 1.69, 36.45 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 53 + HB3 LYS 53 OK 100 100 - 100 - 3.0=100 HA SER 59 - HB3 LYS 53 OK 12 61 - 18 - 2394/1.8=4, 2438/3.6=3...(7) Peak 2406 from cnoeabs.peaks (1.84, 1.69, 36.45 ppm; 2.92 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 53 + HB3 LYS 53 OK 100 100 - 100 - 1.8=100 HB3 LYS 90 - HB3 LYS 53 OK 30 97 - 31 - 2384/3.0=3, 2439/3.6=3...(16) HB2 LYS 68 - HB3 LYS 53 OK 17 100 - 17 - 2384/3.0=2, 6887/4.4=2...(7) HG2 ARG 46 - HB3 LYS 53 OK 13 73 - 17 - 2439/3.6=2, 2450/3.6=2...(6) HB3 LEU 57 - HB3 LYS 53 lone 3 70 - 5 - Peak 2407 from cnoeabs.peaks (1.69, 1.69, 36.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 53 + HB3 LYS 53 OK 100 100 - 100 Peak 2408 from cnoeabs.peaks (1.46, 1.69, 36.45 ppm; 3.25 A): 3 out of 14 assignments used, quality = 1.00: * HG2 LYS 53 + HB3 LYS 53 OK 100 100 - 100 - 3.0=100 HG3 LYS 53 + HB3 LYS 53 OK 99 99 - 100 - 3.0=100 HD2 LYS 53 + HB3 LYS 53 OK 94 99 - 94 - 3.6=70, 1.8/2451=13...(39) HG13 ILE 52 - HB3 LYS 53 OK 27 98 - 27 - 2373/3.9=5, 2388/3.0=3...(12) HD2 LYS 40 - HB3 LYS 53 OK 25 100 - 25 - 3.0/1809=2, 3.0/1820=2...(8) HD3 LYS 40 - HB3 LYS 53 OK 25 100 - 25 - 3.0/1809=2, 3.0/1820=2...(8) HG2 LYS 20 - HB3 LYS 53 OK 22 98 - 22 - 2417/1.8=2, 2416/3.0=2...(8) HD2 LYS 82 - HB3 LYS 53 OK 19 99 - 19 - 1.8/2411=3, ~2400=2...(6) HG3 ARG 91 - HB3 LYS 53 OK 17 90 - 19 - 1.8/4047=2, 2.8/4028=1...(6) HG LEU 38 - HB3 LYS 53 lone 8 99 - 8 - 2373/3.9=1 HB2 LEU 38 - HB3 LYS 53 lone 7 96 - 7 - HB2 LEU 27 - HB3 LYS 53 lone 7 98 - 7 - HG2 LYS 12 - HB3 LYS 53 lone 1 65 - 2 - HG LEU 64 - HB3 LYS 53 lone 1 70 - 1 - Peak 2409 from cnoeabs.peaks (1.47, 1.69, 36.45 ppm; 3.25 A): 3 out of 14 assignments used, quality = 1.00: * HG3 LYS 53 + HB3 LYS 53 OK 100 100 - 100 - 3.0=100 HG2 LYS 53 + HB3 LYS 53 OK 99 99 - 100 - 3.0=100 HD2 LYS 53 + HB3 LYS 53 OK 88 94 - 94 - 3.6=70, 1.8/2451=13...(39) HD3 LYS 40 - HB3 LYS 53 OK 25 100 - 25 - 3.0/1809=2, 3.0/1820=2...(8) HD2 LYS 40 - HB3 LYS 53 OK 25 99 - 25 - 3.0/1809=2, 3.0/1820=2...(8) HG13 ILE 52 - HB3 LYS 53 OK 23 90 - 26 - 2373/3.9=4, ~9199=3...(11) HG2 LYS 20 - HB3 LYS 53 OK 20 90 - 22 - 2417/1.8=2, 2416/3.0=2...(8) HD2 LYS 82 - HB3 LYS 53 OK 18 94 - 19 - 1.8/2411=3, ~2400=2...(6) HB2 ARG 91 - HB3 LYS 53 OK 14 65 - 21 - ~2396=2, 2.8/4047=1...(5) HG3 ARG 91 - HB3 LYS 53 OK 14 73 - 18 - 1.8/4047=2, 2.8/4028=1...(5) HG LEU 38 - HB3 LYS 53 lone 7 94 - 7 - 2373/3.9=1 HB2 LEU 27 - HB3 LYS 53 lone 6 90 - 7 - HB2 LEU 38 - HB3 LYS 53 lone 6 84 - 7 - HG LEU 64 - HB3 LYS 53 lone 1 87 - 1 - Peak 2410 from cnoeabs.peaks (1.46, 1.69, 36.45 ppm; 3.25 A): 3 out of 14 assignments used, quality = 1.00: HG2 LYS 53 + HB3 LYS 53 OK 99 99 - 100 - 3.0=100 * HD2 LYS 53 + HB3 LYS 53 OK 94 100 - 94 - 3.6=70, 1.8/2451=13...(39) HG3 LYS 53 + HB3 LYS 53 OK 94 94 - 100 - 3.0=100 HG13 ILE 52 - HB3 LYS 53 OK 27 100 - 28 - 2373/3.9=5, 2388/3.0=3...(12) HD2 LYS 40 - HB3 LYS 53 OK 25 99 - 25 - 3.0/1809=2, 3.0/1820=2...(8) HD3 LYS 40 - HB3 LYS 53 OK 24 98 - 25 - 3.0/1809=2, 3.0/1820=2...(8) HG2 LYS 20 - HB3 LYS 53 OK 22 100 - 22 - 2417/1.8=2, 2416/3.0=2...(8) HD2 LYS 82 - HB3 LYS 53 OK 19 100 - 19 - 1.8/2411=3, ~2400=2...(6) HG3 ARG 91 - HB3 LYS 53 OK 19 97 - 20 - 1.8/4047=2, 2.8/4028=1...(7) HG LEU 38 - HB3 LYS 53 lone 8 100 - 8 - 2373/3.9=1 HB2 LEU 38 - HB3 LYS 53 lone 7 99 - 7 - HB2 LEU 27 - HB3 LYS 53 lone 7 100 - 7 - HG2 LYS 12 - HB3 LYS 53 lone 2 81 - 2 - HG3 LYS 39 - HB3 LYS 53 lone 1 65 - 2 - Peak 2411 from cnoeabs.peaks (1.55, 1.69, 36.45 ppm; 4.17 A): 2 out of 7 assignments used, quality = 1.00: * HD3 LYS 53 + HB3 LYS 53 OK 100 100 - 100 - 3.6=100 HB2 LEU 3 + HB3 LYS 53 OK 85 100 - 85 - ~9186=21, 4.4/9209=14...(26) HD3 LYS 82 - HB3 LYS 53 OK 29 81 - 36 - 2400/1.8=5, ~10935=3...(14) HB3 GLU 28 - HB3 LYS 53 OK 15 90 - 17 - 2400/1.8=2, 1248/3.9=2...(6) HG2 LYS 33 - HB3 LYS 53 lone 9 99 - 8 - 2400/1.8=1, 6880/3.9=1 HG3 ARG 79 - HB3 LYS 53 poor 8 70 - 11 - 4.7/2414=3, 6892/4.4=1 HG2 ARG 79 - HB3 LYS 53 poor 7 65 - 11 - 4.7/2414=3, 6892/4.4=1 Peak 2412 from cnoeabs.peaks (2.83, 1.69, 36.45 ppm; 4.65 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 53 + HB3 LYS 53 OK 99 100 - 99 - 5.0=79, 2402/1.8=19...(43) HE3 LYS 53 + HB3 LYS 53 OK 99 100 - 99 - 5.0=79, 2402/1.8=19...(43) HE2 LYS 90 - HB3 LYS 53 OK 27 61 - 45 - 3.8/9187=7, ~4004=6...(17) Peak 2413 from cnoeabs.peaks (2.83, 1.69, 36.45 ppm; 4.65 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 53 + HB3 LYS 53 OK 99 100 - 99 - 5.0=79, 2402/1.8=20...(43) HE2 LYS 53 + HB3 LYS 53 OK 99 100 - 99 - 5.0=79, 2402/1.8=20...(43) Peak 2414 from cnoeabs.peaks (8.49, 1.69, 36.45 ppm; 4.05 A): 1 out of 6 assignments used, quality = 0.95: * H VAL 54 + HB3 LYS 53 OK 95 100 - 95 - 4.4=80, 6886/3.0=37...(13) H ARG 79 - HB3 LYS 53 OK 23 94 - 24 - 2403/1.8=5, 2392/3.0=4...(9) H ALA 67 - HB3 LYS 53 OK 18 92 - 20 - 2403/1.8=5, 2392/3.0=3...(6) H THR 31 - HB3 LYS 53 OK 18 98 - 18 - 2403/1.8=4, 2392/3.0=3...(6) H VAL 32 - HB3 LYS 53 OK 15 92 - 16 - 2403/1.8=3, 2392/3.0=2...(7) H LEU 2 - HB3 LYS 53 lone 6 61 - 9 - 4.6/6019=1 Peak 2415 from cnoeabs.peaks (8.47, 1.46, 25.00 ppm; 4.32 A): 2 out of 15 assignments used, quality = 0.99: * H LYS 53 + HG2 LYS 53 OK 92 100 - 92 - 5.0=63, ~2438=13...(23) H LYS 53 + HG3 LYS 53 OK 84 92 - 92 - 5.0=63, ~2438=13...(22) H ILE 7 - HG2 LYS 53 OK 28 94 - 30 - 2393/3.0=7, 2404/3.0=6...(8) H ILE 7 - HG3 LYS 53 OK 24 82 - 29 - 2393/3.0=7, 2404/3.0=6...(8) H LYS 53 - HG2 LYS 20 OK 23 83 - 28 - 6869/1.8=4, 3.0/2416=3...(13) H ALA 67 - HG2 LYS 53 OK 13 84 - 15 - 2393/3.0=3, 2404/3.0=3...(4) H VAL 32 - HG2 LYS 53 OK 12 84 - 15 - 2404/3.0=2, 2393/3.0=2...(4) H ALA 67 - HG3 LYS 53 OK 11 72 - 14 - 2393/3.0=3, 2404/3.0=3...(4) H VAL 32 - HG3 LYS 53 OK 10 72 - 14 - 2404/3.0=2, 2393/3.0=2...(4) H LEU 29 - HG2 LYS 53 poor 10 73 - 13 - 2448/3.0=2, 2393/3.0=2...(5) H LEU 29 - HG3 LYS 53 poor 8 62 - 12 - 2448/3.0=2, 2393/3.0=2...(5) H VAL 32 - HG2 LYS 20 lone 6 64 - 9 - 4.0/8944=2, 6509/3.0=2, ~1391=1 H ALA 67 - HG2 LYS 20 lone 4 64 - 7 - 7084/4.9=2, 4.7/882=1 H ILE 7 - HG2 LYS 20 lone 4 74 - 6 - 8270/3.0=2 H LEU 29 - HG2 LYS 20 lone 4 54 - 7 - 4.5/6449=2, 6461/4.9=2 Peak 2416 from cnoeabs.peaks (5.04, 1.46, 25.00 ppm; 3.88 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 53 + HG2 LYS 53 OK 100 100 - 100 - 3.9=100 HA LYS 53 + HG3 LYS 53 OK 92 92 - 100 - 3.9=100 HA LYS 53 - HG2 LYS 20 OK 21 83 - 26 - 2385/1.8=3, 2388=2...(12) HA SER 59 - HG2 LYS 53 poor 10 61 - 15 - 2405/3.0=3, 2394/3.0=3...(5) HA SER 59 - HG3 LYS 53 poor 8 51 - 15 - 2405/3.0=3, 2394/3.0=3...(5) HA SER 59 - HG2 LYS 20 lone 2 45 - 5 - Peak 2417 from cnoeabs.peaks (1.84, 1.46, 25.00 ppm; 2.91 A): 2 out of 15 assignments used, quality = 1.00: * HB2 LYS 53 + HG2 LYS 53 OK 98 100 - 98 - 3.0=94, 1.8/2429=6...(28) HB2 LYS 53 + HG3 LYS 53 OK 90 92 - 98 - 3.0=94, 1.8/2429=7...(31) HB3 LYS 90 - HG2 LYS 53 OK 23 97 - 23 - 2406/3.0=4, 2439/3.0=3...(10) HB3 LYS 90 - HG3 LYS 53 OK 20 86 - 23 - 2406/3.0=4, 2439/3.0=3...(10) HB2 LYS 53 - HG2 LYS 20 OK 18 83 - 22 - 2396/1.8=3, 2399=2...(7) HG2 ARG 46 - HG2 LYS 53 OK 18 73 - 24 - 2439/3.0=3, 2450/3.0=2...(11) HG2 ARG 46 - HG3 LYS 53 OK 15 62 - 24 - 2439/3.0=3, 2450/3.0=2...(11) HB2 LYS 68 - HG2 LYS 53 OK 13 100 - 13 - 2406/3.0=2, 2384/3.9=2...(5) HB2 LYS 68 - HG3 LYS 53 OK 12 91 - 13 - 2406/3.0=2, 2384/3.9=2...(5) HB2 LYS 68 - HG2 LYS 20 lone 6 82 - 7 - HB3 LEU 57 - HG2 LYS 53 lone 3 70 - 4 - HB3 LEU 57 - HG3 LYS 53 lone 2 58 - 3 - HB3 LYS 90 - HG2 LYS 20 lone 2 78 - 2 - HG2 ARG 46 - HG2 LYS 20 lone 1 54 - 2 - HB3 LEU 57 - HG2 LYS 20 lone 0 51 - 1 - Peak 2418 from cnoeabs.peaks (1.69, 1.46, 25.00 ppm; 2.40 A): 5 out of 66 assignments used, quality = 0.99: * HB3 LYS 53 + HG2 LYS 53 OK 73 100 - 73 - 3.0=53, 1.8/2417=7...(21) HG3 LYS 20 + HG2 LYS 20 OK 69 69 - 100 - 1.8=100 HB3 LYS 53 + HG3 LYS 53 OK 67 92 - 73 - 3.0=53, 1.8/2417=6...(21) HD2 LYS 20 + HG2 LYS 20 OK 55 76 - 73 - 2.8=60, 1.8/919=3...(16) HD3 LYS 20 + HG2 LYS 20 OK 50 69 - 73 - 2.8=60, 1.8/919=3...(16) HG3 LYS 20 - HG2 LYS 53 OK 17 90 - 19 - 897=2, 897/1.8=2...(7) HD2 LYS 20 - HG2 LYS 53 OK 16 96 - 16 - 2.8/897=1, 2440/3.0=1...(4) HG3 LYS 20 - HG3 LYS 53 OK 15 78 - 20 - 897=2, 897/1.8=2...(7) HB3 LYS 40 - HG2 LYS 53 OK 15 100 - 15 - 2396/3.0=1, 2440/3.0=1 HB3 ARG 91 - HG2 LYS 53 OK 15 100 - 15 - 1.8/4030=1, 2440/3.0=1 HD3 LYS 20 - HG2 LYS 53 OK 14 90 - 16 - 2.8/897=1, 2440/3.0=1, 908=1 HB3 LYS 40 - HG3 LYS 53 OK 14 91 - 15 - 2396/3.0=1, 2440/3.0=1 HD2 LYS 20 - HG3 LYS 53 OK 14 84 - 16 - 2440/3.0=1, 2.8/897=1...(4) HD3 LYS 20 - HG3 LYS 53 OK 12 78 - 16 - 2.8/897=1, 2440/3.0=1 HB3 ARG 91 - HG3 LYS 53 OK 11 91 - 13 - 2440/3.0=1 HB ILE 52 - HG2 LYS 53 OK 11 77 - 15 - 2349/5.0=2, 3.0/2363=1...(4) HB3 ARG 91 - HG2 LYS 20 OK 11 82 - 13 - 1.8/4030=2 HD3 LYS 90 - HG2 LYS 53 OK 10 90 - 11 - 2396/3.0=2, ~3971=1 HB ILE 52 - HG3 LYS 53 poor 9 65 - 15 - 2349/5.0=2, 2385/3.9=1...(4) HB3 LYS 53 - HG2 LYS 20 poor 9 83 - 11 - 1.8/2417=1 HD3 LYS 90 - HG3 LYS 53 poor 9 78 - 11 - 2396/3.0=2, ~3971=1 HD3 LYS 47 - HG2 LYS 20 lone 8 82 - 9 - HD2 LYS 47 - HG2 LYS 20 lone 8 80 - 9 - HB3 LYS 40 - HG2 LYS 20 lone 7 83 - 8 - HB ILE 52 - HG2 LYS 20 lone 5 57 - 10 - HG2 PRO 86 - HG2 LYS 53 lone 4 97 - 4 - HG2 PRO 86 - HG3 LYS 53 lone 3 86 - 4 - HD3 LYS 47 - HG2 LYS 53 lone 3 99 - 3 - HD2 LYS 47 - HG2 LYS 53 lone 3 99 - 3 - HB2 LEU 2 - HG2 LYS 53 lone 3 73 - 4 - HD3 LYS 47 - HG3 LYS 53 lone 2 90 - 2 - HD2 LYS 47 - HG3 LYS 53 lone 2 89 - 2 - HB2 LEU 2 - HG3 LYS 53 lone 2 62 - 3 - HG12 ILE 15 - HG2 LYS 53 lone 2 96 - 2 - HD2 LYS 24 - HG2 LYS 53 lone 1 92 - 1 - HG12 ILE 15 - HG2 LYS 20 lone 1 76 - 2 - HG12 ILE 15 - HG3 LYS 53 lone 1 84 - 1 - HD3 LYS 24 - HG2 LYS 53 lone 1 90 - 1 - HD2 LYS 73 - HG2 LYS 20 lone 1 48 - 3 - HD2 LYS 12 - HG2 LYS 53 lone 1 77 - 1 - HD3 LYS 12 - HG2 LYS 53 lone 1 77 - 1 - HD2 LYS 24 - HG3 LYS 53 lone 1 80 - 1 - HD3 LYS 24 - HG3 LYS 53 lone 1 78 - 1 - HD3 LYS 66 - HG2 LYS 20 lone 1 54 - 2 - HD3 LYS 12 - HG3 LYS 53 lone 1 65 - 1 - HD2 LYS 12 - HG3 LYS 53 lone 1 65 - 1 - HG2 PRO 86 - HG2 LYS 20 lone 1 78 - 1 - HD3 LYS 66 - HG2 LYS 53 lone 1 73 - 1 - HG LEU 70 - HG2 LYS 53 lone 1 84 - 1 - HD3 LYS 66 - HG3 LYS 53 lone 1 62 - 1 - HG LEU 70 - HG3 LYS 53 lone 1 72 - 1 - HB2 LEU 2 - HG2 LYS 20 lone 1 54 - 1 - HD3 LYS 90 - HG2 LYS 20 lone 1 69 - 1 - HD2 LYS 73 - HG2 LYS 53 lone 0 65 - 1 - HD2 LYS 13 - HG2 LYS 53 lone 0 77 - 1 - HD3 LYS 13 - HG2 LYS 53 lone 0 70 - 1 - HD2 LYS 13 - HG3 LYS 53 lone 0 65 - 1 - HD2 LYS 73 - HG3 LYS 53 lone 0 55 - 1 - HD3 LYS 12 - HG2 LYS 20 lone 0 57 - 1 - HD2 LYS 12 - HG2 LYS 20 lone 0 57 - 1 - HD2 LYS 24 - HG2 LYS 20 lone 0 71 - 0 - HG LEU 70 - HG2 LYS 20 lone 0 64 - 1 - HD3 LYS 24 - HG2 LYS 20 lone 0 69 - 0 - HD3 LYS 13 - HG3 LYS 53 lone 0 58 - 1 - HD2 LYS 13 - HG2 LYS 20 lone 0 57 - 0 - HD3 LYS 13 - HG2 LYS 20 lone 0 51 - 0 - Peak 2419 from cnoeabs.peaks (1.46, 1.46, 25.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 LYS 53 + HG2 LYS 53 OK 100 100 - 100 HG3 LYS 53 + HG3 LYS 53 OK 89 89 - 100 HG2 LYS 20 + HG2 LYS 20 OK 79 79 - 100 Peak 2420 from cnoeabs.peaks (1.47, 1.46, 25.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 LYS 53 + HG2 LYS 53 OK 99 99 - 100 HG3 LYS 53 + HG3 LYS 53 OK 92 92 - 100 HG2 LYS 20 + HG2 LYS 20 OK 69 69 - 100 Reference assignment not found: HG3 LYS 53 - HG2 LYS 53 Peak 2421 from cnoeabs.peaks (1.46, 1.46, 25.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 LYS 53 + HG2 LYS 53 OK 99 99 - 100 HG2 LYS 20 + HG2 LYS 20 OK 83 83 - 100 HG3 LYS 53 + HG3 LYS 53 OK 82 82 - 100 Reference assignment not found: HD2 LYS 53 - HG2 LYS 53 Peak 2422 from cnoeabs.peaks (1.55, 1.46, 25.00 ppm; 2.59 A): 3 out of 21 assignments used, quality = 0.98: * HD3 LYS 53 + HG2 LYS 53 OK 85 100 - 85 - 3.0=67, 2453/1.8=8...(33) HD3 LYS 53 + HG3 LYS 53 OK 78 92 - 85 - 3.0=67, 2453/1.8=8...(35) HB2 LEU 3 + HG2 LYS 53 OK 46 100 - 46 - 3.1/9191=5, 2444/3.0=5...(24) HB2 LEU 3 - HG3 LYS 53 OK 42 92 - 46 - 2444/3.0=5, 3.1/9191=5...(25) HD3 LYS 82 - HG2 LYS 53 OK 16 81 - 19 - 3709=2, 2444/3.0=2...(5) HD3 LYS 53 - HG2 LYS 20 OK 14 83 - 17 - 2454=2, 2451/1.8=2...(6) HD3 LYS 82 - HG3 LYS 53 OK 13 69 - 19 - 2444/3.0=2, 3709=2...(5) HB3 GLU 28 - HG2 LYS 53 lone 5 90 - 6 - HB3 GLU 28 - HG3 LYS 53 lone 4 78 - 6 - HG2 LYS 33 - HG2 LYS 53 lone 3 99 - 3 - HB2 LEU 3 - HG2 LYS 20 lone 3 83 - 4 - HG2 LYS 33 - HG3 LYS 53 lone 3 90 - 3 - HG3 ARG 79 - HG2 LYS 53 lone 2 70 - 3 - HG2 ARG 79 - HG2 LYS 53 lone 2 65 - 3 - HG3 ARG 79 - HG3 LYS 53 lone 2 58 - 3 - HB3 GLU 28 - HG2 LYS 20 lone 2 69 - 2 - HG2 ARG 79 - HG3 LYS 53 lone 1 55 - 3 - HD3 LYS 82 - HG2 LYS 20 lone 1 61 - 2 - HG2 LYS 33 - HG2 LYS 20 lone 0 82 - 1 - HG3 ARG 79 - HG2 LYS 20 lone 0 51 - 0 - HG2 ARG 79 - HG2 LYS 20 lone 0 48 - 0 - Peak 2423 from cnoeabs.peaks (2.83, 1.46, 25.00 ppm; 3.42 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 53 + HG2 LYS 53 OK 93 100 - 93 - 3.9=67, 3.0/2422=9...(38) HE3 LYS 53 + HG2 LYS 53 OK 93 100 - 93 - 3.9=67, 3.0/2422=9...(37) HE2 LYS 53 + HG3 LYS 53 OK 85 92 - 93 - 3.9=67, 3.0/2433=9...(38) HE3 LYS 53 + HG3 LYS 53 OK 84 91 - 93 - 3.9=67, 3.0/2433=9...(37) HE2 LYS 53 - HG2 LYS 20 OK 14 83 - 17 - ~2440=2, 3.0/2454=2...(5) HE3 LYS 53 - HG2 LYS 20 OK 14 82 - 17 - ~2440=2, 3.0/2454=2...(5) HE2 LYS 90 - HG2 LYS 53 OK 11 61 - 18 - ~4004=2, 2401/3.0=2...(10) HE2 LYS 90 - HG3 LYS 53 poor 9 51 - 19 - ~4004=2, 2401/3.0=2...(10) HE2 LYS 90 - HG2 LYS 20 lone 0 45 - 1 - Peak 2424 from cnoeabs.peaks (2.83, 1.46, 25.00 ppm; 3.42 A): 4 out of 6 assignments used, quality = 1.00: * HE3 LYS 53 + HG2 LYS 53 OK 93 100 - 93 - 3.9=67, 3.0/2422=9...(37) HE2 LYS 53 + HG2 LYS 53 OK 93 100 - 93 - 3.9=67, 3.0/2422=9...(37) HE3 LYS 53 + HG3 LYS 53 OK 85 92 - 93 - 3.9=67, 3.0/2433=9...(37) HE2 LYS 53 + HG3 LYS 53 OK 84 91 - 93 - 3.9=67, 3.0/2433=9...(37) HE3 LYS 53 - HG2 LYS 20 OK 14 83 - 17 - ~2440=2, 3.0/2454=2...(5) HE2 LYS 53 - HG2 LYS 20 OK 14 82 - 17 - ~2440=2, 3.0/2454=2...(5) Peak 2425 from cnoeabs.peaks (8.49, 1.46, 25.00 ppm; 4.15 A): 2 out of 18 assignments used, quality = 0.94: * H VAL 54 + HG2 LYS 53 OK 78 100 - 78 - 6886/3.9=31, 6887/3.0=25...(14) H VAL 54 + HG3 LYS 53 OK 71 92 - 78 - 6886/3.9=31, 6887/3.0=25...(12) H ARG 79 - HG2 LYS 53 OK 22 94 - 23 - 2403/3.0=4, 2414/3.0=4...(7) H VAL 54 - HG2 LYS 20 OK 20 83 - 24 - 6891=3, 6896/3.0=3...(12) H ARG 79 - HG3 LYS 53 OK 19 82 - 23 - 2403/3.0=4, 2414/3.0=4...(7) H ALA 67 - HG2 LYS 53 OK 18 92 - 19 - 2403/3.0=4, 2414/3.0=3...(7) H THR 31 - HG2 LYS 53 OK 17 98 - 18 - 2414/3.0=3, 2403/3.0=3...(7) H VAL 32 - HG2 LYS 53 OK 15 92 - 17 - 2414/3.0=3, 2403/3.0=3...(7) H THR 31 - HG3 LYS 53 OK 15 88 - 17 - 2414/3.0=3, 2403/3.0=3...(7) H ALA 67 - HG3 LYS 53 OK 15 80 - 19 - 2403/3.0=4, 2414/3.0=3...(7) H VAL 32 - HG3 LYS 53 OK 13 80 - 16 - 2414/3.0=3, 2403/3.0=3...(7) H LEU 2 - HG2 LYS 53 poor 6 61 - 10 - 2447/3.0=1, 4.7/12039=1...(5) H VAL 32 - HG2 LYS 20 lone 6 71 - 9 - 4.0/8944=2, 6509/3.0=2, ~1391=1 H ALA 67 - HG2 LYS 20 lone 5 71 - 7 - 7084/4.9=2, 4.7/882=1 H LEU 2 - HG3 LYS 53 lone 5 51 - 10 - 2447/3.0=1, 2458/3.0=1 H THR 31 - HG2 LYS 20 lone 2 79 - 3 - H ARG 79 - HG2 LYS 20 lone 2 74 - 3 - H LEU 2 - HG2 LYS 20 lone 2 45 - 4 - Peak 2426 from cnoeabs.peaks (8.47, 1.47, 25.00 ppm; 4.36 A): 2 out of 10 assignments used, quality = 0.99: * H LYS 53 + HG3 LYS 53 OK 92 100 - 92 - 5.0=64, ~2438=13...(23) H LYS 53 + HG2 LYS 53 OK 85 92 - 92 - 5.0=64, ~2438=13...(22) H ILE 7 - HG3 LYS 53 OK 28 94 - 30 - 2393/3.0=7, 2404/3.0=6...(8) H ILE 7 - HG2 LYS 53 OK 24 82 - 30 - 2393/3.0=7, 2404/3.0=6...(8) H ALA 67 - HG3 LYS 53 OK 12 84 - 15 - 2393/3.0=3, 2404/3.0=3...(4) H VAL 32 - HG3 LYS 53 OK 12 84 - 14 - 2404/3.0=2, 2393/3.0=2...(4) H ALA 67 - HG2 LYS 53 OK 11 72 - 15 - 2393/3.0=3, 2404/3.0=3...(4) H VAL 32 - HG2 LYS 53 OK 10 72 - 14 - 2404/3.0=2, 2393/3.0=2...(4) H LEU 29 - HG3 LYS 53 poor 9 73 - 12 - 2448/3.0=2, 2393/3.0=2...(4) H LEU 29 - HG2 LYS 53 poor 8 62 - 13 - 2448/3.0=2, 2393/3.0=2...(5) Peak 2427 from cnoeabs.peaks (5.04, 1.47, 25.00 ppm; 3.90 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 53 + HG3 LYS 53 OK 100 100 - 100 - 3.9=100 HA LYS 53 + HG2 LYS 53 OK 92 92 - 100 - 3.9=100 HA SER 59 - HG3 LYS 53 poor 10 61 - 15 - 2405/3.0=3, 2394/3.0=3...(5) HA SER 59 - HG2 LYS 53 poor 8 51 - 15 - 2405/3.0=3, 2394/3.0=3...(5) Peak 2428 from cnoeabs.peaks (1.84, 1.47, 25.00 ppm; 3.07 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LYS 53 + HG3 LYS 53 OK 100 100 - 100 - 3.0=100 HB2 LYS 53 + HG2 LYS 53 OK 92 92 - 100 - 3.0=100 HB3 LYS 90 - HG3 LYS 53 OK 25 97 - 26 - 2406/3.0=5, 2439/3.0=3...(11) HB3 LYS 90 - HG2 LYS 53 OK 22 86 - 26 - 2406/3.0=5, 2439/3.0=3...(11) HG2 ARG 46 - HG3 LYS 53 OK 19 73 - 27 - 2439/3.0=3, 2450/3.0=2...(13) HG2 ARG 46 - HG2 LYS 53 OK 16 62 - 26 - 2439/3.0=3, 2450/3.0=2...(12) HB2 LYS 68 - HG3 LYS 53 OK 15 100 - 15 - 2406/3.0=3, 2384/3.9=2...(5) HB2 LYS 68 - HG2 LYS 53 OK 13 91 - 14 - 2406/3.0=3, 2384/3.9=2...(5) HB3 LEU 57 - HG3 LYS 53 lone 3 70 - 4 - HB3 LEU 57 - HG2 LYS 53 lone 2 58 - 4 - Peak 2429 from cnoeabs.peaks (1.69, 1.47, 25.00 ppm; 2.40 A): 2 out of 44 assignments used, quality = 0.91: * HB3 LYS 53 + HG3 LYS 53 OK 72 100 - 72 - 3.0=53, 1.8/2417=5...(21) HB3 LYS 53 + HG2 LYS 53 OK 67 92 - 72 - 3.0=53, 1.8/2417=6...(21) HG3 LYS 20 - HG3 LYS 53 OK 17 90 - 19 - 897/1.8=2, 897=2...(5) HB3 LYS 40 - HG3 LYS 53 OK 15 100 - 15 - 2396/3.0=1, 2440/3.0=1 HD2 LYS 20 - HG3 LYS 53 OK 15 96 - 15 - 2440/3.0=1, 2.8/897=1 HG3 LYS 20 - HG2 LYS 53 OK 14 78 - 18 - 897=2, 897/1.8=2...(5) HB3 LYS 40 - HG2 LYS 53 OK 14 91 - 15 - 2396/3.0=1, 2440/3.0=1 HD3 LYS 20 - HG3 LYS 53 OK 13 90 - 15 - 2440/3.0=1, 2.8/897=1 HD2 LYS 20 - HG2 LYS 53 OK 13 84 - 15 - 2440/3.0=1, 2.8/897=1 HB3 ARG 91 - HG3 LYS 53 OK 12 100 - 12 - 2440/3.0=1 HB3 ARG 91 - HG2 LYS 53 OK 12 91 - 13 - 2440/3.0=1 HD3 LYS 20 - HG2 LYS 53 OK 12 78 - 15 - 2440/3.0=1, 2.8/897=1 HB ILE 52 - HG3 LYS 53 OK 11 77 - 14 - 4.5/2426=2, 2385/3.9=1 HD3 LYS 90 - HG3 LYS 53 OK 10 90 - 11 - 2396/3.0=2, ~3971=1 HB ILE 52 - HG2 LYS 53 poor 9 65 - 14 - 2349/5.0=2, 2385/3.9=1 HD3 LYS 90 - HG2 LYS 53 poor 9 78 - 11 - 2396/3.0=2, ~3971=1 HG2 PRO 86 - HG3 LYS 53 lone 4 97 - 4 - HG2 PRO 86 - HG2 LYS 53 lone 3 86 - 4 - HD3 LYS 47 - HG3 LYS 53 lone 2 99 - 2 - HD2 LYS 47 - HG3 LYS 53 lone 2 99 - 2 - HB2 LEU 2 - HG3 LYS 53 lone 2 73 - 3 - HD3 LYS 47 - HG2 LYS 53 lone 2 90 - 2 - HD2 LYS 47 - HG2 LYS 53 lone 2 89 - 2 - HB2 LEU 2 - HG2 LYS 53 lone 2 62 - 3 - HG12 ILE 15 - HG3 LYS 53 lone 1 96 - 1 - HD2 LYS 24 - HG3 LYS 53 lone 1 92 - 1 - HG12 ILE 15 - HG2 LYS 53 lone 1 84 - 1 - HD3 LYS 24 - HG3 LYS 53 lone 1 90 - 1 - HD2 LYS 24 - HG2 LYS 53 lone 1 80 - 1 - HD2 LYS 12 - HG3 LYS 53 lone 1 77 - 1 - HD3 LYS 12 - HG3 LYS 53 lone 1 77 - 1 - HD3 LYS 24 - HG2 LYS 53 lone 1 78 - 1 - HD3 LYS 12 - HG2 LYS 53 lone 1 65 - 1 - HD2 LYS 12 - HG2 LYS 53 lone 1 65 - 1 - HD3 LYS 66 - HG3 LYS 53 lone 1 73 - 1 - HG LEU 70 - HG3 LYS 53 lone 1 84 - 1 - HG LEU 70 - HG2 LYS 53 lone 1 72 - 1 - HD3 LYS 66 - HG2 LYS 53 lone 1 62 - 1 - HD2 LYS 13 - HG3 LYS 53 lone 0 77 - 1 - HD2 LYS 73 - HG3 LYS 53 lone 0 65 - 1 - HD3 LYS 13 - HG3 LYS 53 lone 0 70 - 1 - HD2 LYS 13 - HG2 LYS 53 lone 0 65 - 1 - HD2 LYS 73 - HG2 LYS 53 lone 0 55 - 1 - HD3 LYS 13 - HG2 LYS 53 lone 0 58 - 0 - Peak 2430 from cnoeabs.peaks (1.46, 1.47, 25.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 53 + HG3 LYS 53 OK 99 99 - 100 HG2 LYS 53 + HG2 LYS 53 OK 92 92 - 100 Reference assignment not found: HG2 LYS 53 - HG3 LYS 53 Peak 2431 from cnoeabs.peaks (1.47, 1.47, 25.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 53 + HG3 LYS 53 OK 100 100 - 100 HG2 LYS 53 + HG2 LYS 53 OK 89 89 - 100 Peak 2432 from cnoeabs.peaks (1.46, 1.47, 25.00 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HG3 LYS 53 + HG3 LYS 53 OK 94 94 - 100 HG2 LYS 53 + HG2 LYS 53 OK 90 90 - 100 Reference assignment not found: HD2 LYS 53 - HG3 LYS 53 Peak 2433 from cnoeabs.peaks (1.55, 1.47, 25.00 ppm; 2.40 A): 3 out of 14 assignments used, quality = 0.95: * HD3 LYS 53 + HG3 LYS 53 OK 76 100 - 76 - 3.0=53, 2453/1.8=7...(25) HD3 LYS 53 + HG2 LYS 53 OK 70 92 - 76 - 3.0=53, 2453/1.8=7...(25) HB2 LEU 3 + HG3 LYS 53 OK 36 100 - 36 - 2444/3.0=4, 2400/3.0=3...(16) HB2 LEU 3 - HG2 LYS 53 OK 33 92 - 37 - 2444/3.0=4, 3.1/9191=4...(17) HD3 LYS 82 - HG3 LYS 53 OK 13 81 - 16 - 2444/3.0=1, 3709=1, 2400/3.0=1 HD3 LYS 82 - HG2 LYS 53 OK 11 69 - 16 - 2444/3.0=1, 3709=1, 2400/3.0=1 HB3 GLU 28 - HG3 LYS 53 lone 4 90 - 5 - HB3 GLU 28 - HG2 LYS 53 lone 4 78 - 5 - HG2 LYS 33 - HG3 LYS 53 lone 2 99 - 2 - HG2 LYS 33 - HG2 LYS 53 lone 2 90 - 2 - HG3 ARG 79 - HG3 LYS 53 lone 2 70 - 2 - HG2 ARG 79 - HG3 LYS 53 lone 1 65 - 2 - HG3 ARG 79 - HG2 LYS 53 lone 1 58 - 2 - HG2 ARG 79 - HG2 LYS 53 lone 1 55 - 2 - Peak 2434 from cnoeabs.peaks (2.83, 1.47, 25.00 ppm; 3.46 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 53 + HG3 LYS 53 OK 94 100 - 94 - 3.9=69, 3.0/2433=11...(38) HE3 LYS 53 + HG3 LYS 53 OK 93 100 - 94 - 3.9=69, 3.0/2433=11...(38) HE2 LYS 53 + HG2 LYS 53 OK 86 92 - 94 - 3.9=69, 3.0/2433=10...(38) HE3 LYS 53 + HG2 LYS 53 OK 85 91 - 94 - 3.9=69, 3.0/2433=10...(38) HE2 LYS 90 - HG3 LYS 53 OK 12 61 - 19 - ~4004=2, 2401/3.0=2...(11) HE2 LYS 90 - HG2 LYS 53 poor 10 51 - 19 - ~4004=2, 2401/3.0=2...(10) Peak 2435 from cnoeabs.peaks (2.83, 1.47, 25.00 ppm; 3.46 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 53 + HG3 LYS 53 OK 94 100 - 94 - 3.9=69, 3.0/2433=11...(37) HE2 LYS 53 + HG3 LYS 53 OK 93 100 - 94 - 3.9=69, 3.0/2433=11...(37) HE3 LYS 53 + HG2 LYS 53 OK 86 92 - 94 - 3.9=69, 3.0/2433=10...(37) HE2 LYS 53 + HG2 LYS 53 OK 85 91 - 94 - 3.9=69, 3.0/2433=10...(37) Peak 2436 from cnoeabs.peaks (8.49, 1.47, 25.00 ppm; 4.14 A): 2 out of 12 assignments used, quality = 0.94: * H VAL 54 + HG3 LYS 53 OK 78 100 - 78 - 6886/3.9=31, 6887/3.0=25...(13) H VAL 54 + HG2 LYS 53 OK 72 92 - 78 - 6886/3.9=31, 6887/3.0=25...(12) H ARG 79 - HG3 LYS 53 OK 21 94 - 23 - 2403/3.0=4, 2414/3.0=4...(7) H ARG 79 - HG2 LYS 53 OK 19 82 - 23 - 2403/3.0=4, 2414/3.0=4...(7) H ALA 67 - HG3 LYS 53 OK 17 92 - 19 - 2403/3.0=4, 2414/3.0=3...(7) H THR 31 - HG3 LYS 53 OK 17 98 - 17 - 2414/3.0=3, 2403/3.0=3...(7) H THR 31 - HG2 LYS 53 OK 15 88 - 17 - 2414/3.0=3, 2403/3.0=3...(7) H ALA 67 - HG2 LYS 53 OK 15 80 - 19 - 2403/3.0=4, 2414/3.0=3...(7) H VAL 32 - HG3 LYS 53 OK 15 92 - 16 - 2414/3.0=3, 2403/3.0=3...(7) H VAL 32 - HG2 LYS 53 OK 13 80 - 16 - 2414/3.0=3, 2403/3.0=3...(7) H LEU 2 - HG3 LYS 53 lone 6 61 - 10 - 2447/3.0=1, 2458/3.0=1 H LEU 2 - HG2 LYS 53 lone 5 51 - 10 - 2447/3.0=1, 2458/3.0=1 Peak 2437 from cnoeabs.peaks (8.47, 1.46, 29.44 ppm; 5.50 A): 1 out of 5 assignments used, quality = 0.99: * H LYS 53 + HD2 LYS 53 OK 99 100 - 99 - 5.9=83, 3.0/2438=36...(26) H ILE 7 - HD2 LYS 53 OK 35 94 - 37 - 2393/3.6=8, 2448/1.8=8...(8) H VAL 32 - HD2 LYS 53 OK 18 84 - 22 - 2448/1.8=4, 2404/3.6=3...(9) H ALA 67 - HD2 LYS 53 OK 18 84 - 21 - 2448/1.8=4, 2393/3.6=4...(7) H LEU 29 - HD2 LYS 53 OK 16 73 - 22 - 2448/1.8=4, 4.5/6449=3...(10) Peak 2438 from cnoeabs.peaks (5.04, 1.46, 29.44 ppm; 4.81 A): 1 out of 2 assignments used, quality = 0.99: * HA LYS 53 + HD2 LYS 53 OK 99 100 - 99 - 5.3=74, 2449/1.8=30...(37) HA SER 59 - HD2 LYS 53 OK 14 61 - 22 - 2449/1.8=5, 2405/3.6=4...(8) Peak 2439 from cnoeabs.peaks (1.84, 1.46, 29.44 ppm; 3.92 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 53 + HD2 LYS 53 OK 100 100 - 100 - 3.6=100 HB3 LYS 90 - HD2 LYS 53 OK 37 97 - 38 - 2450/1.8=7, 2406/3.6=6...(15) HG2 ARG 46 - HD2 LYS 53 OK 31 73 - 42 - 3.0/12114=7, 2450/1.8=5...(19) HB2 LYS 68 - HD2 LYS 53 OK 20 100 - 20 - 2450/1.8=4, 2406/3.6=3...(8) HB3 LEU 57 - HD2 LYS 53 lone 4 70 - 6 - Peak 2440 from cnoeabs.peaks (1.69, 1.46, 29.44 ppm; 2.90 A): 3 out of 22 assignments used, quality = 0.91: * HB3 LYS 53 + HD2 LYS 53 OK 85 100 - 85 - 3.6=50, 2451/1.8=11...(33) HG3 LYS 20 + HD2 LYS 53 OK 24 90 - 27 - 897=4, 2451/1.8=2...(7) HD2 LYS 20 + HD2 LYS 53 OK 22 96 - 23 - 2451/1.8=2, 2.8/897=2...(9) HD3 LYS 20 - HD2 LYS 53 OK 20 90 - 23 - 2.8/897=2, 2451/1.8=2...(8) HB3 ARG 91 - HD2 LYS 53 OK 20 100 - 20 - 2451/1.8=2, 1.8/4030=2...(6) HB3 LYS 40 - HD2 LYS 53 OK 17 100 - 17 - 2451/1.8=2, 2396/3.6=1...(5) HD3 LYS 90 - HD2 LYS 53 OK 15 90 - 16 - 3.6/2439=3, 2451/1.8=2...(6) HB ILE 52 - HD2 LYS 53 OK 15 77 - 19 - 4.5/2437=3, 2451/1.8=1...(7) HG2 PRO 86 - HD2 LYS 53 lone 5 97 - 6 - ~10958=1 HD3 LYS 47 - HD2 LYS 53 lone 5 99 - 4 - HD2 LYS 47 - HD2 LYS 53 lone 5 99 - 4 - HB2 LEU 2 - HD2 LYS 53 lone 4 73 - 5 - HD2 LYS 24 - HD2 LYS 53 lone 3 92 - 3 - HD3 LYS 24 - HD2 LYS 53 lone 3 90 - 3 - HG12 ILE 15 - HD2 LYS 53 lone 2 96 - 2 - HD3 LYS 12 - HD2 LYS 53 lone 2 77 - 2 - HD2 LYS 12 - HD2 LYS 53 lone 2 77 - 2 - HD3 LYS 66 - HD2 LYS 53 lone 1 73 - 1 - HG LEU 70 - HD2 LYS 53 lone 1 84 - 1 - HD2 LYS 13 - HD2 LYS 53 lone 1 77 - 1 - HD2 LYS 73 - HD2 LYS 53 lone 1 65 - 1 - HD3 LYS 13 - HD2 LYS 53 lone 1 70 - 1 - Peak 2441 from cnoeabs.peaks (1.46, 1.46, 29.44 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: HD2 LYS 53 + HD2 LYS 53 OK 99 99 - 100 Reference assignment not found: HG2 LYS 53 - HD2 LYS 53 Peak 2442 from cnoeabs.peaks (1.47, 1.46, 29.44 ppm; diagonal): 1 out of 1 assignment used, quality = 0.94: HD2 LYS 53 + HD2 LYS 53 OK 94 94 - 100 Reference assignment not found: HG3 LYS 53 - HD2 LYS 53 Peak 2443 from cnoeabs.peaks (1.46, 1.46, 29.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 53 + HD2 LYS 53 OK 100 100 - 100 Peak 2444 from cnoeabs.peaks (1.55, 1.46, 29.44 ppm; 2.46 A): 1 out of 7 assignments used, quality = 1.00: * HD3 LYS 53 + HD2 LYS 53 OK 100 100 - 100 - 1.8=100 HB2 LEU 3 - HD2 LYS 53 OK 40 100 - 40 - 3.1/9192=9, 2400/3.6=3...(18) HD3 LYS 82 - HD2 LYS 53 OK 13 81 - 16 - 3709=2, 2400/3.6=1 HB3 GLU 28 - HD2 LYS 53 lone 5 90 - 6 - HG2 LYS 33 - HD2 LYS 53 lone 3 99 - 3 - HG3 ARG 79 - HD2 LYS 53 lone 2 70 - 3 - HG2 ARG 79 - HD2 LYS 53 lone 2 65 - 2 - Peak 2445 from cnoeabs.peaks (2.83, 1.46, 29.44 ppm; 3.40 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 53 + HD2 LYS 53 OK 100 100 - 100 - 3.0=100 HE3 LYS 53 + HD2 LYS 53 OK 100 100 - 100 - 3.0=100 HE2 LYS 90 - HD2 LYS 53 OK 11 61 - 17 - 4.8/2439=3, 2401/3.6=2...(7) Peak 2446 from cnoeabs.peaks (2.83, 1.46, 29.44 ppm; 3.40 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 53 + HD2 LYS 53 OK 100 100 - 100 - 3.0=100 HE2 LYS 53 + HD2 LYS 53 OK 100 100 - 100 - 3.0=100 Peak 2447 from cnoeabs.peaks (8.49, 1.46, 29.44 ppm; 4.99 A): 5 out of 6 assignments used, quality = 0.94: * H VAL 54 + HD2 LYS 53 OK 83 100 - 83 - 6886/5.3=29, 6887/3.6=28...(15) H ARG 79 + HD2 LYS 53 OK 32 94 - 34 - 2458/1.8=6, 2403/3.6=5...(10) H THR 31 + HD2 LYS 53 OK 23 98 - 24 - 2458/1.8=5, 2414/3.6=4...(8) H ALA 67 + HD2 LYS 53 OK 22 92 - 24 - 2403/3.6=4, 2458/1.8=4...(8) H VAL 32 + HD2 LYS 53 OK 20 92 - 22 - 2458/1.8=4, 2414/3.6=3...(9) H LEU 2 - HD2 LYS 53 poor 9 61 - 14 - 2458/1.8=2, 4.7/12040=2...(5) Peak 2448 from cnoeabs.peaks (8.47, 1.55, 29.44 ppm; 5.55 A): 1 out of 5 assignments used, quality = 0.99: * H LYS 53 + HD3 LYS 53 OK 99 100 - 99 - 5.9=85, 3.0/2449=33...(22) H ILE 7 - HD3 LYS 53 OK 36 94 - 38 - 2393/3.6=8, 2437/1.8=8...(9) H LEU 29 - HD3 LYS 53 OK 20 73 - 27 - 2437/1.8=4, 4.8/10141=4...(12) H VAL 32 - HD3 LYS 53 OK 19 84 - 22 - 2437/1.8=4, 2404/3.6=3...(8) H ALA 67 - HD3 LYS 53 OK 18 84 - 21 - 2437/1.8=4, 2393/3.6=4...(7) Peak 2449 from cnoeabs.peaks (5.04, 1.55, 29.44 ppm; 5.23 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 53 + HD3 LYS 53 OK 100 100 - 100 - 5.3=95, 2438/1.8=39...(39) HA SER 59 - HD3 LYS 53 OK 16 61 - 25 - 2438/1.8=6, 2405/3.6=4...(8) Peak 2450 from cnoeabs.peaks (1.84, 1.55, 29.44 ppm; 4.12 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 53 + HD3 LYS 53 OK 100 100 - 100 - 3.6=100 HB3 LYS 90 - HD3 LYS 53 OK 38 97 - 39 - 2439/1.8=8, 2406/3.6=6...(13) HG2 ARG 46 - HD3 LYS 53 OK 29 73 - 40 - 3.0/12115=7, 2439/1.8=6...(17) HB2 LYS 68 - HD3 LYS 53 OK 21 100 - 21 - 2439/1.8=4, 2406/3.6=4...(8) HB3 LEU 57 - HD3 LYS 53 lone 4 70 - 6 - Peak 2451 from cnoeabs.peaks (1.69, 1.55, 29.44 ppm; 3.15 A): 1 out of 22 assignments used, quality = 0.91: * HB3 LYS 53 + HD3 LYS 53 OK 91 100 - 91 - 3.6=64, 2440/1.8=13...(28) HG3 LYS 20 - HD3 LYS 53 OK 20 90 - 22 - 2440/1.8=4, 897/3.0=2...(7) HD2 LYS 20 - HD3 LYS 53 OK 19 96 - 20 - 2440/1.8=3, ~2440=2...(7) HD3 LYS 20 - HD3 LYS 53 OK 18 90 - 20 - 2440/1.8=3, ~2440=2...(7) HB3 ARG 91 - HD3 LYS 53 OK 17 100 - 17 - 2440/1.8=3, 2396/3.6=1...(5) HD3 LYS 90 - HD3 LYS 53 OK 17 90 - 19 - 3.6/2450=3, 2396/3.6=2...(8) HB3 LYS 40 - HD3 LYS 53 OK 16 100 - 16 - 2440/1.8=3, 2396/3.6=1...(4) HB ILE 52 - HD3 LYS 53 OK 12 77 - 16 - 4.5/2448=4, 2440/1.8=2...(5) HG2 PRO 86 - HD3 LYS 53 lone 6 97 - 6 - 2.3/10958=2 HB2 LEU 2 - HD3 LYS 53 lone 5 73 - 6 - 4.6/6025=2 HD3 LYS 47 - HD3 LYS 53 lone 4 99 - 4 - HD2 LYS 47 - HD3 LYS 53 lone 4 99 - 4 - HD2 LYS 24 - HD3 LYS 53 lone 4 92 - 4 - HD3 LYS 24 - HD3 LYS 53 lone 3 90 - 4 - HG12 ILE 15 - HD3 LYS 53 lone 3 96 - 3 - HD3 LYS 12 - HD3 LYS 53 lone 2 77 - 2 - HD2 LYS 12 - HD3 LYS 53 lone 2 77 - 2 - HD3 LYS 66 - HD3 LYS 53 lone 1 73 - 2 - HG LEU 70 - HD3 LYS 53 lone 1 84 - 1 - HD2 LYS 13 - HD3 LYS 53 lone 1 77 - 1 - HD3 LYS 13 - HD3 LYS 53 lone 1 70 - 1 - HD2 LYS 73 - HD3 LYS 53 lone 1 65 - 1 - Peak 2452 from cnoeabs.peaks (1.46, 1.55, 29.44 ppm; 2.41 A): 3 out of 14 assignments used, quality = 1.00: HD2 LYS 53 + HD3 LYS 53 OK 99 99 - 100 - 1.8=100 * HG2 LYS 53 + HD3 LYS 53 OK 77 100 - 77 - 3.0=54, 1.8/2433=9...(25) HG3 LYS 53 + HD3 LYS 53 OK 76 99 - 77 - 3.0=54, 1.8/2433=8...(25) HG2 LYS 20 - HD3 LYS 53 OK 13 98 - 14 - 2422=2, 1.8/2451=2...(6) HD2 LYS 82 - HD3 LYS 53 OK 10 99 - 10 - ~2444=1 HD2 LYS 40 - HD3 LYS 53 lone 8 100 - 8 - HD3 LYS 40 - HD3 LYS 53 lone 8 100 - 8 - HG13 ILE 52 - HD3 LYS 53 lone 8 98 - 8 - 2373/5.9=1 HG3 ARG 91 - HD3 LYS 53 lone 6 90 - 7 - HB2 LEU 27 - HD3 LYS 53 lone 5 98 - 5 - 3.1/10132=1 HG LEU 38 - HD3 LYS 53 lone 2 99 - 2 - HB2 LEU 38 - HD3 LYS 53 lone 2 96 - 2 - HG2 LYS 12 - HD3 LYS 53 lone 1 65 - 1 - HG LEU 64 - HD3 LYS 53 lone 0 70 - 0 - Peak 2453 from cnoeabs.peaks (1.47, 1.55, 29.44 ppm; 2.41 A): 3 out of 14 assignments used, quality = 1.00: HD2 LYS 53 + HD3 LYS 53 OK 94 94 - 100 - 1.8=100 * HG3 LYS 53 + HD3 LYS 53 OK 77 100 - 77 - 3.0=54, 1.8/2433=8...(25) HG2 LYS 53 + HD3 LYS 53 OK 76 99 - 77 - 3.0=54, 1.8/2433=9...(25) HG2 LYS 20 - HD3 LYS 53 OK 12 90 - 14 - 2422=2, 1.8/2451=2...(6) HD2 LYS 82 - HD3 LYS 53 poor 9 94 - 10 - ~2444=1 HD3 LYS 40 - HD3 LYS 53 lone 8 100 - 8 - HD2 LYS 40 - HD3 LYS 53 lone 8 99 - 8 - HG13 ILE 52 - HD3 LYS 53 lone 7 90 - 7 - 2373/5.9=1 HB2 ARG 91 - HD3 LYS 53 lone 6 65 - 9 - 1.8/2451=1 HG3 ARG 91 - HD3 LYS 53 lone 5 73 - 7 - HB2 LEU 27 - HD3 LYS 53 lone 5 90 - 5 - 3.1/10132=1 HG LEU 38 - HD3 LYS 53 lone 2 94 - 2 - HB2 LEU 38 - HD3 LYS 53 lone 1 84 - 2 - HG LEU 64 - HD3 LYS 53 lone 0 87 - 0 - Peak 2454 from cnoeabs.peaks (1.46, 1.55, 29.44 ppm; 2.41 A): 3 out of 14 assignments used, quality = 1.00: * HD2 LYS 53 + HD3 LYS 53 OK 100 100 - 100 - 1.8=100 HG2 LYS 53 + HD3 LYS 53 OK 76 99 - 77 - 3.0=54, 1.8/2433=9...(25) HG3 LYS 53 + HD3 LYS 53 OK 72 94 - 76 - 3.0=54, 1.8/2433=8...(25) HG2 LYS 20 - HD3 LYS 53 OK 14 100 - 14 - 2422=2, 1.8/2451=2...(6) HD2 LYS 82 - HD3 LYS 53 OK 10 100 - 10 - ~2444=1, 3699=1 HD2 LYS 40 - HD3 LYS 53 lone 8 99 - 8 - HD3 LYS 40 - HD3 LYS 53 lone 8 98 - 8 - HG13 ILE 52 - HD3 LYS 53 lone 8 100 - 8 - 2373/5.9=1 HG3 ARG 91 - HD3 LYS 53 lone 7 97 - 7 - HB2 LEU 27 - HD3 LYS 53 lone 5 100 - 5 - 3.1/10132=1 HG LEU 38 - HD3 LYS 53 lone 2 100 - 2 - HB2 LEU 38 - HD3 LYS 53 lone 2 99 - 2 - HG2 LYS 12 - HD3 LYS 53 lone 1 81 - 1 - HG3 LYS 39 - HD3 LYS 53 lone 0 65 - 1 - Peak 2455 from cnoeabs.peaks (1.55, 1.55, 29.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 53 + HD3 LYS 53 OK 100 100 - 100 Peak 2456 from cnoeabs.peaks (2.83, 1.55, 29.44 ppm; 3.51 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 53 + HD3 LYS 53 OK 100 100 - 100 - 3.0=100 HE3 LYS 53 + HD3 LYS 53 OK 100 100 - 100 - 3.0=100 HE2 LYS 90 - HD3 LYS 53 OK 11 61 - 18 - 4.8/2450=3, 3.0/2451=2...(8) Peak 2457 from cnoeabs.peaks (2.83, 1.55, 29.44 ppm; 3.51 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 53 + HD3 LYS 53 OK 100 100 - 100 - 3.0=100 HE2 LYS 53 + HD3 LYS 53 OK 100 100 - 100 - 3.0=100 Peak 2458 from cnoeabs.peaks (8.49, 1.55, 29.44 ppm; 5.31 A): 3 out of 6 assignments used, quality = 0.94: * H VAL 54 + HD3 LYS 53 OK 87 100 - 87 - 6886/5.3=32, 6887/3.6=30...(15) H ARG 79 + HD3 LYS 53 OK 36 94 - 38 - 2447/1.8=7, 2403/3.6=5...(12) H THR 31 + HD3 LYS 53 OK 26 98 - 26 - 2447/1.8=5, 2414/3.6=4...(8) H ALA 67 - HD3 LYS 53 OK 24 92 - 26 - 2447/1.8=5, 2403/3.6=5...(8) H VAL 32 - HD3 LYS 53 OK 23 92 - 25 - 2447/1.8=5, 2414/3.6=4...(9) H LEU 2 - HD3 LYS 53 OK 10 61 - 17 - 4.6/6025=6, 2447/1.8=2...(5) Peak 2459 from cnoeabs.peaks (8.47, 2.83, 41.80 ppm; 5.61 A): 2 out of 10 assignments used, quality = 1.00: * H LYS 53 + HE2 LYS 53 OK 95 100 - 95 - 7.3=45, ~2438=22...(18) H LYS 53 + HE3 LYS 53 OK 93 98 - 95 - 7.3=45, ~2438=22...(17) H ILE 7 - HE2 LYS 53 OK 29 94 - 31 - 2437/3.0=7, 2393/5.0=7...(7) H ILE 7 - HE3 LYS 53 OK 28 90 - 31 - 2437/3.0=7, 2393/5.0=7...(7) H ALA 67 - HE2 LYS 53 OK 15 84 - 17 - 2437/3.0=4, 2448/3.0=3...(6) H VAL 32 - HE2 LYS 53 OK 14 84 - 17 - 2437/3.0=4, 2448/3.0=4...(7) H ALA 67 - HE3 LYS 53 OK 14 80 - 17 - 2437/3.0=4, 2448/3.0=3...(6) H VAL 32 - HE3 LYS 53 OK 13 80 - 17 - 2437/3.0=4, 2448/3.0=4...(6) H LEU 29 - HE2 LYS 53 OK 11 73 - 15 - 2448/3.0=4, 2437/3.0=3...(6) H LEU 29 - HE3 LYS 53 OK 11 69 - 15 - 2448/3.0=4, 2437/3.0=3...(6) Peak 2460 from cnoeabs.peaks (5.04, 2.83, 41.80 ppm; 5.84 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 53 + HE2 LYS 53 OK 100 100 - 100 - 6.0=94, 2438/3.0=38...(35) HA LYS 53 + HE3 LYS 53 OK 98 98 - 100 - 6.0=94, 2438/3.0=38...(35) HA SER 59 - HE2 LYS 53 OK 15 61 - 24 - 2449/3.0=6, 2438/3.0=6...(7) HA SER 59 - HE3 LYS 53 OK 14 58 - 24 - 2449/3.0=6, 2438/3.0=6...(7) Peak 2461 from cnoeabs.peaks (1.84, 2.83, 41.80 ppm; 3.98 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LYS 53 + HE2 LYS 53 OK 96 100 - 96 - 5.0=49, 1.8/2413=14...(43) HB2 LYS 53 + HE3 LYS 53 OK 94 98 - 96 - 5.0=49, 1.8/2413=14...(43) HB3 LYS 90 - HE3 LYS 53 OK 33 94 - 35 - 2439/3.0=6, 2450/3.0=6...(13) HB3 LYS 90 - HE2 LYS 53 OK 31 97 - 32 - 2439/3.0=6, 2450/3.0=6...(14) HG2 ARG 46 - HE2 LYS 53 OK 25 73 - 34 - 2439/3.0=5, 3.0/12117=4...(13) HG2 ARG 46 - HE3 LYS 53 OK 23 69 - 33 - 2439/3.0=5, 2450/3.0=4...(13) HB2 LYS 68 - HE2 LYS 53 OK 16 100 - 16 - 2439/3.0=3, 2450/3.0=3...(7) HB2 LYS 68 - HE3 LYS 53 OK 16 97 - 16 - 2439/3.0=3, 2450/3.0=3...(8) HB3 LEU 57 - HE2 LYS 53 lone 3 70 - 5 - HB3 LEU 57 - HE3 LYS 53 lone 3 65 - 4 - Peak 2462 from cnoeabs.peaks (1.69, 2.83, 41.80 ppm; 3.80 A): 2 out of 44 assignments used, quality = 1.00: * HB3 LYS 53 + HE2 LYS 53 OK 94 100 - 94 - 5.0=43, 2413/1.8=13...(42) HB3 LYS 53 + HE3 LYS 53 OK 92 98 - 94 - 5.0=43, 2413/1.8=13...(42) HG3 LYS 20 - HE2 LYS 53 OK 23 90 - 26 - 2440/3.0=4, 2451/3.0=3...(10) HB3 ARG 91 - HE2 LYS 53 OK 23 100 - 23 - 4.6/9216=4, 2440/3.0=3...(10) HG3 LYS 20 - HE3 LYS 53 OK 22 85 - 26 - 2440/3.0=4, 2451/3.0=3...(10) HB3 ARG 91 - HE3 LYS 53 OK 22 97 - 23 - 4.6/9216=3, 2440/3.0=3...(10) HD2 LYS 20 - HE2 LYS 53 OK 21 96 - 23 - 2440/3.0=3, 2451/3.0=3...(9) HD3 LYS 90 - HE3 LYS 53 OK 21 85 - 25 - ~3976=4, ~3954=3...(9) HD2 LYS 20 - HE3 LYS 53 OK 21 92 - 23 - 2440/3.0=3, 2451/3.0=3...(9) HD3 LYS 20 - HE2 LYS 53 OK 20 90 - 22 - 2440/3.0=3, 2451/3.0=2...(9) HD3 LYS 90 - HE2 LYS 53 OK 19 90 - 21 - 2451/3.0=2, 1.8/3976=2...(9) HD3 LYS 20 - HE3 LYS 53 OK 19 85 - 22 - 2440/3.0=3, 2451/3.0=2...(9) HB3 LYS 40 - HE2 LYS 53 OK 18 100 - 18 - 2440/3.0=3, 2451/3.0=2...(5) HB3 LYS 40 - HE3 LYS 53 OK 18 98 - 18 - 2440/3.0=3, 2451/3.0=2...(5) HB ILE 52 - HE2 LYS 53 OK 14 77 - 18 - 4.5/2459=4, 2440/3.0=2...(8) HB ILE 52 - HE3 LYS 53 OK 13 73 - 18 - 4.5/2459=3, 2440/3.0=2...(8) HG2 PRO 86 - HE2 LYS 53 lone 6 97 - 7 - ~10958=2 HG2 PRO 86 - HE3 LYS 53 lone 6 94 - 6 - ~10958=2 HD3 LYS 47 - HE2 LYS 53 lone 5 99 - 5 - HD2 LYS 47 - HE2 LYS 53 lone 5 99 - 4 - HD3 LYS 47 - HE3 LYS 53 lone 4 97 - 4 - HD2 LYS 47 - HE3 LYS 53 lone 4 96 - 4 - HD2 LYS 24 - HE2 LYS 53 lone 4 92 - 4 - HD3 LYS 24 - HE2 LYS 53 lone 4 90 - 4 - HD2 LYS 24 - HE3 LYS 53 lone 4 88 - 4 - HD3 LYS 24 - HE3 LYS 53 lone 3 85 - 4 - HB2 LEU 2 - HE2 LYS 53 lone 3 73 - 4 - HG12 ILE 15 - HE2 LYS 53 lone 3 96 - 3 - HB2 LEU 2 - HE3 LYS 53 lone 3 69 - 4 - HG12 ILE 15 - HE3 LYS 53 lone 3 92 - 3 - HD3 LYS 12 - HE2 LYS 53 lone 2 77 - 3 - HD2 LYS 12 - HE2 LYS 53 lone 2 77 - 3 - HD3 LYS 12 - HE3 LYS 53 lone 2 73 - 3 - HD2 LYS 12 - HE3 LYS 53 lone 2 73 - 3 - HD3 LYS 66 - HE2 LYS 53 lone 1 73 - 2 - HD3 LYS 66 - HE3 LYS 53 lone 1 69 - 2 - HG LEU 70 - HE2 LYS 53 lone 1 84 - 1 - HD2 LYS 13 - HE2 LYS 53 lone 1 77 - 1 - HG LEU 70 - HE3 LYS 53 lone 1 80 - 1 - HD2 LYS 13 - HE3 LYS 53 lone 1 73 - 1 - HD3 LYS 13 - HE2 LYS 53 lone 1 70 - 1 - HD3 LYS 13 - HE3 LYS 53 lone 1 65 - 1 - HD2 LYS 73 - HE2 LYS 53 lone 1 65 - 1 - HD2 LYS 73 - HE3 LYS 53 lone 1 61 - 1 - Peak 2463 from cnoeabs.peaks (1.46, 2.83, 41.80 ppm; 2.75 A): 6 out of 28 assignments used, quality = 1.00: HD2 LYS 53 + HE2 LYS 53 OK 87 99 - 87 - 3.0=80, 3.6/2413=4...(17) HD2 LYS 53 + HE3 LYS 53 OK 84 97 - 87 - 3.0=80, 3.6/2413=4...(17) * HG2 LYS 53 + HE2 LYS 53 OK 74 100 - 74 - 3.9=35, 2433/3.0=6...(33) HG3 LYS 53 + HE2 LYS 53 OK 73 99 - 74 - 3.9=35, 2433/3.0=7...(33) HG2 LYS 53 + HE3 LYS 53 OK 72 98 - 74 - 3.9=35, 2433/3.0=6...(33) HG3 LYS 53 + HE3 LYS 53 OK 71 96 - 74 - 3.9=35, 2433/3.0=7...(33) HG2 LYS 20 - HE2 LYS 53 OK 11 98 - 11 - 2454/3.0=1 HG2 LYS 20 - HE3 LYS 53 OK 10 95 - 11 - 2454/3.0=1 HD2 LYS 82 - HE2 LYS 53 lone 9 99 - 9 - 1.8/2466=1 HD2 LYS 82 - HE3 LYS 53 lone 8 97 - 9 - HG3 ARG 91 - HE2 LYS 53 lone 7 90 - 8 - 4.0/9216=2 HG3 ARG 91 - HE3 LYS 53 lone 7 85 - 8 - 4.0/9216=2 HG13 ILE 52 - HE2 LYS 53 lone 7 98 - 7 - HD3 LYS 40 - HE2 LYS 53 lone 6 100 - 6 - HD2 LYS 40 - HE2 LYS 53 lone 6 100 - 6 - HG13 ILE 52 - HE3 LYS 53 lone 6 95 - 7 - HD2 LYS 40 - HE3 LYS 53 lone 6 98 - 6 - HD3 LYS 40 - HE3 LYS 53 lone 6 98 - 6 - HB2 LEU 27 - HE2 LYS 53 lone 3 98 - 3 - HB2 LEU 27 - HE3 LYS 53 lone 3 95 - 3 - HB2 LEU 38 - HE2 LYS 53 lone 2 96 - 2 - HB2 LEU 38 - HE3 LYS 53 lone 2 92 - 2 - HG LEU 38 - HE2 LYS 53 lone 2 99 - 2 - HG LEU 38 - HE3 LYS 53 lone 2 97 - 2 - HG2 LYS 12 - HE2 LYS 53 lone 1 65 - 1 - HG2 LYS 12 - HE3 LYS 53 lone 0 61 - 1 - HG LEU 64 - HE2 LYS 53 lone 0 70 - 0 - HG LEU 64 - HE3 LYS 53 lone 0 65 - 0 - Peak 2464 from cnoeabs.peaks (1.47, 2.83, 41.80 ppm; 2.75 A): 6 out of 28 assignments used, quality = 1.00: HD2 LYS 53 + HE2 LYS 53 OK 82 94 - 87 - 3.0=80, 3.6/2413=4...(17) HD2 LYS 53 + HE3 LYS 53 OK 78 90 - 87 - 3.0=80, 3.6/2413=4...(17) * HG3 LYS 53 + HE2 LYS 53 OK 74 100 - 74 - 3.9=35, 2433/3.0=7...(33) HG2 LYS 53 + HE2 LYS 53 OK 73 99 - 74 - 3.9=35, 2433/3.0=7...(33) HG3 LYS 53 + HE3 LYS 53 OK 72 98 - 74 - 3.9=35, 2433/3.0=7...(33) HG2 LYS 53 + HE3 LYS 53 OK 71 96 - 74 - 3.9=35, 2433/3.0=7...(33) HG2 LYS 20 - HE2 LYS 53 poor 10 90 - 11 - HG2 LYS 20 - HE3 LYS 53 poor 9 85 - 11 - HD2 LYS 82 - HE2 LYS 53 lone 8 94 - 9 - 1.8/2466=1 HD2 LYS 82 - HE3 LYS 53 lone 8 90 - 8 - HB2 ARG 91 - HE2 LYS 53 poor 7 65 - 11 - 4.6/9216=2 HD3 LYS 40 - HE2 LYS 53 lone 6 100 - 6 - HD2 LYS 40 - HE2 LYS 53 lone 6 99 - 6 - HB2 ARG 91 - HE3 LYS 53 poor 6 61 - 10 - 4.6/9216=2 HD3 LYS 40 - HE3 LYS 53 lone 6 97 - 6 - HD2 LYS 40 - HE3 LYS 53 lone 6 97 - 6 - HG3 ARG 91 - HE2 LYS 53 lone 6 73 - 8 - 4.0/9216=2 HG13 ILE 52 - HE2 LYS 53 lone 5 90 - 6 - HG3 ARG 91 - HE3 LYS 53 lone 5 69 - 8 - 4.0/9216=2 HG13 ILE 52 - HE3 LYS 53 lone 5 85 - 6 - HB2 LEU 27 - HE2 LYS 53 lone 3 90 - 3 - HB2 LEU 27 - HE3 LYS 53 lone 3 85 - 3 - HG LEU 38 - HE2 LYS 53 lone 2 94 - 2 - HB2 LEU 38 - HE2 LYS 53 lone 2 84 - 2 - HG LEU 38 - HE3 LYS 53 lone 2 90 - 2 - HB2 LEU 38 - HE3 LYS 53 lone 2 80 - 2 - HG LEU 64 - HE2 LYS 53 lone 0 87 - 0 - HG LEU 64 - HE3 LYS 53 lone 0 83 - 0 - Peak 2465 from cnoeabs.peaks (1.46, 2.83, 41.80 ppm; 2.75 A): 6 out of 28 assignments used, quality = 1.00: * HD2 LYS 53 + HE2 LYS 53 OK 87 100 - 87 - 3.0=80, 3.6/2413=4...(17) HD2 LYS 53 + HE3 LYS 53 OK 86 98 - 87 - 3.0=80, 3.6/2413=4...(17) HG2 LYS 53 + HE2 LYS 53 OK 73 99 - 73 - 3.9=35, 2422/3.0=6...(33) HG2 LYS 53 + HE3 LYS 53 OK 71 97 - 73 - 3.9=35, 2422/3.0=6...(33) HG3 LYS 53 + HE2 LYS 53 OK 69 94 - 73 - 3.9=35, 2433/3.0=6...(33) HG3 LYS 53 + HE3 LYS 53 OK 66 90 - 73 - 3.9=35, 2433/3.0=6...(33) HG2 LYS 20 - HE2 LYS 53 OK 11 100 - 11 - 2454/3.0=1 HG2 LYS 20 - HE3 LYS 53 OK 11 98 - 11 - 2454/3.0=1 HD2 LYS 82 - HE2 LYS 53 lone 9 100 - 9 - 1.8/2466=1 HD2 LYS 82 - HE3 LYS 53 lone 8 98 - 9 - HG3 ARG 91 - HE2 LYS 53 lone 8 97 - 8 - 4.0/9216=2 HG3 ARG 91 - HE3 LYS 53 lone 8 94 - 8 - 4.0/9216=2 HG13 ILE 52 - HE2 LYS 53 lone 7 100 - 7 - 2373/7.3=1 HG13 ILE 52 - HE3 LYS 53 lone 7 98 - 7 - 2373/7.3=1 HD2 LYS 40 - HE2 LYS 53 lone 6 99 - 6 - HD3 LYS 40 - HE2 LYS 53 lone 6 98 - 6 - HD2 LYS 40 - HE3 LYS 53 lone 6 96 - 6 - HD3 LYS 40 - HE3 LYS 53 lone 6 95 - 6 - HB2 LEU 27 - HE2 LYS 53 lone 3 100 - 3 - HB2 LEU 27 - HE3 LYS 53 lone 3 98 - 3 - HB2 LEU 38 - HE2 LYS 53 lone 2 99 - 2 - HB2 LEU 38 - HE3 LYS 53 lone 2 97 - 2 - HG LEU 38 - HE2 LYS 53 lone 2 100 - 2 - HG LEU 38 - HE3 LYS 53 lone 2 98 - 2 - HG2 LYS 12 - HE2 LYS 53 lone 1 81 - 1 - HG2 LYS 12 - HE3 LYS 53 lone 1 76 - 1 - HG3 LYS 39 - HE2 LYS 53 lone 0 65 - 1 - HG3 LYS 39 - HE3 LYS 53 lone 0 61 - 1 - Peak 2466 from cnoeabs.peaks (1.55, 2.83, 41.80 ppm; 3.16 A): 4 out of 14 assignments used, quality = 1.00: * HD3 LYS 53 + HE2 LYS 53 OK 100 100 - 100 - 3.0=100 HD3 LYS 53 + HE3 LYS 53 OK 98 98 - 100 - 3.0=100 HB2 LEU 3 + HE2 LYS 53 OK 49 100 - 49 - 3.1/9198=9, 2444/3.0=7...(18) HB2 LEU 3 + HE3 LYS 53 OK 48 98 - 49 - 3.1/9198=9, 2444/3.0=7...(18) HD3 LYS 82 - HE2 LYS 53 OK 13 81 - 17 - 2444/3.0=2, 2400/5.0=1...(5) HD3 LYS 82 - HE3 LYS 53 OK 13 76 - 17 - 2444/3.0=2, 2400/5.0=1...(5) HB3 GLU 28 - HE2 LYS 53 lone 6 90 - 6 - 2444/3.0=1 HB3 GLU 28 - HE3 LYS 53 lone 5 85 - 6 - 2444/3.0=1 HG2 LYS 33 - HE2 LYS 53 lone 4 99 - 3 - HG2 LYS 33 - HE3 LYS 53 lone 3 97 - 3 - HG3 ARG 79 - HE2 LYS 53 lone 2 70 - 3 - HG3 ARG 79 - HE3 LYS 53 lone 2 65 - 3 - HG2 ARG 79 - HE2 LYS 53 lone 2 65 - 3 - HG2 ARG 79 - HE3 LYS 53 lone 2 61 - 3 - Peak 2467 from cnoeabs.peaks (2.83, 2.83, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 53 + HE2 LYS 53 OK 100 100 - 100 HE3 LYS 53 + HE3 LYS 53 OK 97 97 - 100 Peak 2468 from cnoeabs.peaks (2.83, 2.83, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 53 + HE2 LYS 53 OK 100 100 - 100 HE3 LYS 53 + HE3 LYS 53 OK 98 98 - 100 Reference assignment not found: HE3 LYS 53 - HE2 LYS 53 Peak 2469 from cnoeabs.peaks (8.49, 2.83, 41.80 ppm; 5.05 A): 3 out of 12 assignments used, quality = 0.94: * H VAL 54 + HE2 LYS 53 OK 72 100 - 72 - 6886/6.0=24, 6887/5.0=21...(8) H VAL 54 + HE3 LYS 53 OK 70 98 - 72 - 6886/6.0=24, 6887/5.0=21...(8) H ARG 79 + HE2 LYS 53 OK 26 94 - 27 - 2447/3.0=6, 2458/3.0=5...(8) H ARG 79 - HE3 LYS 53 OK 24 90 - 27 - 2447/3.0=6, 2458/3.0=5...(8) H THR 31 - HE2 LYS 53 OK 19 98 - 20 - 2447/3.0=4, 2458/3.0=4...(7) H THR 31 - HE3 LYS 53 OK 19 95 - 20 - 2447/3.0=4, 2458/3.0=4...(7) H ALA 67 - HE2 LYS 53 OK 18 92 - 20 - 2447/3.0=4, 2458/3.0=4...(7) H ALA 67 - HE3 LYS 53 OK 17 88 - 20 - 2447/3.0=4, 2458/3.0=4...(7) H VAL 32 - HE2 LYS 53 OK 16 92 - 17 - 2447/3.0=4, 2458/3.0=4...(7) H VAL 32 - HE3 LYS 53 OK 15 88 - 17 - 2447/3.0=4, 2458/3.0=4...(7) H LEU 2 - HE2 LYS 53 lone 6 61 - 9 - 2447/3.0=2, 2458/3.0=2 H LEU 2 - HE3 LYS 53 lone 5 58 - 9 - 2447/3.0=2, 2458/3.0=2 Peak 2470 from cnoeabs.peaks (8.47, 2.83, 41.80 ppm; 5.61 A): 2 out of 10 assignments used, quality = 1.00: * H LYS 53 + HE3 LYS 53 OK 95 100 - 95 - 7.3=45, ~2438=22...(18) H LYS 53 + HE2 LYS 53 OK 93 98 - 95 - 7.3=45, ~2438=22...(17) H ILE 7 - HE3 LYS 53 OK 29 94 - 31 - 2437/3.0=7, 2393/5.0=7...(7) H ILE 7 - HE2 LYS 53 OK 28 90 - 31 - 2437/3.0=7, 2393/5.0=7...(7) H ALA 67 - HE3 LYS 53 OK 15 84 - 17 - 2437/3.0=4, 2448/3.0=3...(6) H VAL 32 - HE3 LYS 53 OK 14 84 - 17 - 2437/3.0=4, 2448/3.0=4...(6) H ALA 67 - HE2 LYS 53 OK 14 80 - 17 - 2437/3.0=4, 2448/3.0=3...(6) H VAL 32 - HE2 LYS 53 OK 13 80 - 17 - 2437/3.0=4, 2448/3.0=4...(6) H LEU 29 - HE3 LYS 53 OK 11 73 - 15 - 2448/3.0=4, 2437/3.0=3...(6) H LEU 29 - HE2 LYS 53 OK 11 69 - 15 - 2448/3.0=4, 2437/3.0=3...(6) Peak 2471 from cnoeabs.peaks (5.04, 2.83, 41.80 ppm; 5.84 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 53 + HE3 LYS 53 OK 100 100 - 100 - 6.0=94, 2438/3.0=38...(35) HA LYS 53 + HE2 LYS 53 OK 98 98 - 100 - 6.0=94, 2438/3.0=38...(35) HA SER 59 - HE3 LYS 53 OK 15 61 - 24 - 2449/3.0=6, 2438/3.0=6...(7) HA SER 59 - HE2 LYS 53 OK 14 58 - 24 - 2449/3.0=6, 2438/3.0=6...(7) Peak 2472 from cnoeabs.peaks (1.84, 2.83, 41.80 ppm; 3.98 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LYS 53 + HE3 LYS 53 OK 96 100 - 96 - 5.0=49, 1.8/2413=15...(43) HB2 LYS 53 + HE2 LYS 53 OK 94 98 - 96 - 5.0=49, 1.8/2413=14...(43) HB3 LYS 90 - HE3 LYS 53 OK 34 97 - 35 - 2439/3.0=6, 2450/3.0=6...(13) HB3 LYS 90 - HE2 LYS 53 OK 28 94 - 30 - 2439/3.0=6, 2450/3.0=6...(13) HG2 ARG 46 - HE3 LYS 53 OK 24 73 - 33 - 2439/3.0=5, 2450/3.0=4...(13) HG2 ARG 46 - HE2 LYS 53 OK 23 69 - 34 - 2439/3.0=5, 2450/3.0=4...(13) HB2 LYS 68 - HE3 LYS 53 OK 17 100 - 16 - 2439/3.0=3, 2450/3.0=3...(8) HB2 LYS 68 - HE2 LYS 53 OK 16 97 - 16 - 2439/3.0=3, 2450/3.0=3...(7) HB3 LEU 57 - HE3 LYS 53 lone 3 70 - 4 - HB3 LEU 57 - HE2 LYS 53 lone 3 65 - 4 - Peak 2473 from cnoeabs.peaks (1.69, 2.83, 41.80 ppm; 3.80 A): 2 out of 44 assignments used, quality = 1.00: * HB3 LYS 53 + HE3 LYS 53 OK 94 100 - 94 - 5.0=43, 2413/1.8=13...(42) HB3 LYS 53 + HE2 LYS 53 OK 92 98 - 94 - 5.0=43, 2413/1.8=13...(42) HG3 LYS 20 - HE3 LYS 53 OK 23 90 - 26 - 2440/3.0=4, 2451/3.0=3...(10) HB3 ARG 91 - HE3 LYS 53 OK 22 100 - 23 - 4.6/9216=3, 2440/3.0=3...(10) HD3 LYS 90 - HE3 LYS 53 OK 22 90 - 25 - ~3976=4, ~3954=3...(9) HG3 LYS 20 - HE2 LYS 53 OK 22 85 - 26 - 2440/3.0=4, 2451/3.0=3...(10) HB3 ARG 91 - HE2 LYS 53 OK 22 97 - 23 - 4.6/9216=3, 2440/3.0=3...(10) HD2 LYS 20 - HE3 LYS 53 OK 21 96 - 23 - 2440/3.0=3, 2451/3.0=3...(9) HD2 LYS 20 - HE2 LYS 53 OK 20 92 - 23 - 2440/3.0=3, 2451/3.0=3...(9) HD3 LYS 20 - HE3 LYS 53 OK 20 90 - 22 - 2440/3.0=3, 2451/3.0=2...(9) HD3 LYS 20 - HE2 LYS 53 OK 19 85 - 22 - 2440/3.0=3, 2451/3.0=2...(9) HB3 LYS 40 - HE3 LYS 53 OK 18 100 - 18 - 2440/3.0=3, 2451/3.0=2...(5) HB3 LYS 40 - HE2 LYS 53 OK 18 98 - 18 - 2440/3.0=3, 2451/3.0=2...(5) HD3 LYS 90 - HE2 LYS 53 OK 16 85 - 19 - 2451/3.0=2, 2440/3.0=2...(7) HB ILE 52 - HE3 LYS 53 OK 14 77 - 18 - 4.5/2470=4, 2440/3.0=2...(8) HB ILE 52 - HE2 LYS 53 OK 13 73 - 18 - 4.5/2470=3, 2440/3.0=2...(8) HG2 PRO 86 - HE3 LYS 53 lone 6 97 - 6 - ~10958=2 HG2 PRO 86 - HE2 LYS 53 lone 6 94 - 7 - ~10958=2 HD3 LYS 47 - HE3 LYS 53 lone 5 99 - 4 - HD2 LYS 47 - HE3 LYS 53 lone 5 99 - 4 - HD3 LYS 47 - HE2 LYS 53 lone 4 97 - 4 - HD2 LYS 47 - HE2 LYS 53 lone 4 96 - 4 - HD2 LYS 24 - HE3 LYS 53 lone 4 92 - 4 - HD3 LYS 24 - HE3 LYS 53 lone 4 90 - 4 - HD2 LYS 24 - HE2 LYS 53 lone 3 88 - 4 - HD3 LYS 24 - HE2 LYS 53 lone 3 85 - 4 - HB2 LEU 2 - HE3 LYS 53 lone 3 73 - 4 - HB2 LEU 2 - HE2 LYS 53 lone 3 69 - 4 - HG12 ILE 15 - HE3 LYS 53 lone 3 96 - 3 - HG12 ILE 15 - HE2 LYS 53 lone 3 92 - 3 - HD2 LYS 12 - HE3 LYS 53 lone 2 77 - 3 - HD3 LYS 12 - HE3 LYS 53 lone 2 77 - 3 - HD3 LYS 12 - HE2 LYS 53 lone 2 73 - 3 - HD2 LYS 12 - HE2 LYS 53 lone 2 73 - 3 - HD3 LYS 66 - HE3 LYS 53 lone 1 73 - 2 - HD3 LYS 66 - HE2 LYS 53 lone 1 69 - 2 - HG LEU 70 - HE3 LYS 53 lone 1 84 - 1 - HG LEU 70 - HE2 LYS 53 lone 1 80 - 1 - HD2 LYS 13 - HE3 LYS 53 lone 1 77 - 1 - HD2 LYS 13 - HE2 LYS 53 lone 1 73 - 1 - HD3 LYS 13 - HE3 LYS 53 lone 1 70 - 1 - HD3 LYS 13 - HE2 LYS 53 lone 1 65 - 1 - HD2 LYS 73 - HE3 LYS 53 lone 1 65 - 1 - HD2 LYS 73 - HE2 LYS 53 lone 1 61 - 1 - Peak 2474 from cnoeabs.peaks (1.46, 2.83, 41.80 ppm; 2.75 A): 6 out of 28 assignments used, quality = 1.00: HD2 LYS 53 + HE3 LYS 53 OK 87 99 - 87 - 3.0=80, 3.6/2413=4...(17) HD2 LYS 53 + HE2 LYS 53 OK 84 97 - 87 - 3.0=80, 3.6/2413=4...(17) * HG2 LYS 53 + HE3 LYS 53 OK 74 100 - 74 - 3.9=35, 2433/3.0=6...(33) HG3 LYS 53 + HE3 LYS 53 OK 73 99 - 74 - 3.9=35, 2433/3.0=7...(33) HG2 LYS 53 + HE2 LYS 53 OK 72 98 - 74 - 3.9=35, 2433/3.0=6...(33) HG3 LYS 53 + HE2 LYS 53 OK 71 96 - 74 - 3.9=35, 2433/3.0=7...(33) HG2 LYS 20 - HE3 LYS 53 OK 11 98 - 11 - 2454/3.0=1 HG2 LYS 20 - HE2 LYS 53 OK 10 95 - 11 - 2454/3.0=1 HD2 LYS 82 - HE3 LYS 53 lone 9 99 - 9 - 1.8/2477=1 HD2 LYS 82 - HE2 LYS 53 lone 8 97 - 9 - HG3 ARG 91 - HE3 LYS 53 lone 7 90 - 8 - 4.0/9216=2 HG3 ARG 91 - HE2 LYS 53 lone 7 85 - 8 - 4.0/9216=2 HG13 ILE 52 - HE3 LYS 53 lone 7 98 - 7 - HD3 LYS 40 - HE3 LYS 53 lone 6 100 - 6 - HD2 LYS 40 - HE3 LYS 53 lone 6 100 - 6 - HG13 ILE 52 - HE2 LYS 53 lone 6 95 - 7 - HD2 LYS 40 - HE2 LYS 53 lone 6 98 - 6 - HD3 LYS 40 - HE2 LYS 53 lone 6 98 - 6 - HB2 LEU 27 - HE3 LYS 53 lone 3 98 - 3 - HB2 LEU 27 - HE2 LYS 53 lone 3 95 - 3 - HB2 LEU 38 - HE3 LYS 53 lone 2 96 - 2 - HB2 LEU 38 - HE2 LYS 53 lone 2 92 - 2 - HG LEU 38 - HE3 LYS 53 lone 2 99 - 2 - HG LEU 38 - HE2 LYS 53 lone 2 97 - 2 - HG2 LYS 12 - HE3 LYS 53 lone 1 65 - 1 - HG2 LYS 12 - HE2 LYS 53 lone 0 61 - 1 - HG LEU 64 - HE3 LYS 53 lone 0 70 - 0 - HG LEU 64 - HE2 LYS 53 lone 0 65 - 0 - Peak 2475 from cnoeabs.peaks (1.47, 2.83, 41.80 ppm; 2.75 A): 6 out of 28 assignments used, quality = 1.00: HD2 LYS 53 + HE3 LYS 53 OK 82 94 - 87 - 3.0=80, 3.6/2413=4...(17) HD2 LYS 53 + HE2 LYS 53 OK 78 90 - 87 - 3.0=80, 3.6/2413=4...(17) * HG3 LYS 53 + HE3 LYS 53 OK 74 100 - 74 - 3.9=35, 2433/3.0=7...(32) HG2 LYS 53 + HE3 LYS 53 OK 73 99 - 74 - 3.9=35, 2433/3.0=7...(33) HG3 LYS 53 + HE2 LYS 53 OK 72 98 - 74 - 3.9=35, 2433/3.0=7...(33) HG2 LYS 53 + HE2 LYS 53 OK 71 96 - 74 - 3.9=35, 2433/3.0=7...(33) HG2 LYS 20 - HE3 LYS 53 poor 10 90 - 11 - HG2 LYS 20 - HE2 LYS 53 poor 9 85 - 11 - HD2 LYS 82 - HE3 LYS 53 lone 8 94 - 8 - 1.8/2477=1 HD2 LYS 82 - HE2 LYS 53 lone 8 90 - 8 - HB2 ARG 91 - HE3 LYS 53 poor 7 65 - 10 - 4.6/9216=2 HD3 LYS 40 - HE3 LYS 53 lone 6 100 - 6 - HD2 LYS 40 - HE3 LYS 53 lone 6 99 - 6 - HB2 ARG 91 - HE2 LYS 53 poor 6 61 - 10 - 4.6/9216=2 HD3 LYS 40 - HE2 LYS 53 lone 6 97 - 6 - HD2 LYS 40 - HE2 LYS 53 lone 6 97 - 6 - HG3 ARG 91 - HE3 LYS 53 lone 6 73 - 8 - 4.0/9216=2 HG3 ARG 91 - HE2 LYS 53 lone 5 69 - 8 - 4.0/9216=2 HG13 ILE 52 - HE3 LYS 53 lone 5 90 - 6 - HG13 ILE 52 - HE2 LYS 53 lone 5 85 - 6 - HB2 LEU 27 - HE3 LYS 53 lone 3 90 - 3 - HB2 LEU 27 - HE2 LYS 53 lone 3 85 - 3 - HG LEU 38 - HE3 LYS 53 lone 2 94 - 2 - HB2 LEU 38 - HE3 LYS 53 lone 2 84 - 2 - HG LEU 38 - HE2 LYS 53 lone 2 90 - 2 - HB2 LEU 38 - HE2 LYS 53 lone 2 80 - 2 - HG LEU 64 - HE3 LYS 53 lone 0 87 - 0 - HG LEU 64 - HE2 LYS 53 lone 0 83 - 0 - Peak 2476 from cnoeabs.peaks (1.46, 2.83, 41.80 ppm; 2.75 A): 6 out of 28 assignments used, quality = 1.00: * HD2 LYS 53 + HE3 LYS 53 OK 87 100 - 87 - 3.0=80, 3.6/2413=4...(17) HD2 LYS 53 + HE2 LYS 53 OK 86 98 - 87 - 3.0=80, 3.6/2413=4...(17) HG2 LYS 53 + HE3 LYS 53 OK 73 99 - 73 - 3.9=35, 2422/3.0=6...(33) HG2 LYS 53 + HE2 LYS 53 OK 71 97 - 73 - 3.9=35, 2422/3.0=6...(33) HG3 LYS 53 + HE3 LYS 53 OK 69 94 - 73 - 3.9=35, 2433/3.0=6...(33) HG3 LYS 53 + HE2 LYS 53 OK 66 90 - 73 - 3.9=35, 2433/3.0=6...(33) HG2 LYS 20 - HE3 LYS 53 OK 11 100 - 11 - 2454/3.0=1 HG2 LYS 20 - HE2 LYS 53 OK 11 98 - 11 - 2454/3.0=1 HD2 LYS 82 - HE3 LYS 53 lone 9 100 - 9 - 1.8/2477=1 HD2 LYS 82 - HE2 LYS 53 lone 8 98 - 9 - HG3 ARG 91 - HE3 LYS 53 lone 8 97 - 8 - 4.0/9216=2 HG3 ARG 91 - HE2 LYS 53 lone 8 94 - 8 - 4.0/9216=2 HG13 ILE 52 - HE3 LYS 53 lone 7 100 - 7 - 2373/7.3=1 HG13 ILE 52 - HE2 LYS 53 lone 7 98 - 7 - 2373/7.3=1 HD2 LYS 40 - HE3 LYS 53 lone 6 99 - 6 - HD3 LYS 40 - HE3 LYS 53 lone 6 98 - 6 - HD2 LYS 40 - HE2 LYS 53 lone 6 96 - 6 - HD3 LYS 40 - HE2 LYS 53 lone 6 95 - 6 - HB2 LEU 27 - HE3 LYS 53 lone 3 100 - 3 - HB2 LEU 27 - HE2 LYS 53 lone 3 98 - 3 - HB2 LEU 38 - HE3 LYS 53 lone 2 99 - 2 - HB2 LEU 38 - HE2 LYS 53 lone 2 97 - 2 - HG LEU 38 - HE3 LYS 53 lone 2 100 - 2 - HG LEU 38 - HE2 LYS 53 lone 2 98 - 2 - HG2 LYS 12 - HE3 LYS 53 lone 1 81 - 1 - HG2 LYS 12 - HE2 LYS 53 lone 1 76 - 1 - HG3 LYS 39 - HE3 LYS 53 lone 0 65 - 0 - HG3 LYS 39 - HE2 LYS 53 lone 0 61 - 1 - Peak 2477 from cnoeabs.peaks (1.55, 2.83, 41.80 ppm; 3.16 A): 4 out of 14 assignments used, quality = 1.00: * HD3 LYS 53 + HE3 LYS 53 OK 100 100 - 100 - 3.0=100 HD3 LYS 53 + HE2 LYS 53 OK 98 98 - 100 - 3.0=100 HB2 LEU 3 + HE3 LYS 53 OK 49 100 - 49 - 3.1/9198=9, 2444/3.0=7...(18) HB2 LEU 3 + HE2 LYS 53 OK 47 98 - 49 - 3.1/9198=9, 2444/3.0=7...(18) HD3 LYS 82 - HE3 LYS 53 OK 13 81 - 17 - 2444/3.0=2, 2400/5.0=1...(5) HD3 LYS 82 - HE2 LYS 53 OK 13 76 - 17 - 2444/3.0=2, 2400/5.0=1...(5) HB3 GLU 28 - HE3 LYS 53 lone 6 90 - 6 - 2444/3.0=1 HB3 GLU 28 - HE2 LYS 53 lone 5 85 - 6 - 2444/3.0=1 HG2 LYS 33 - HE3 LYS 53 lone 4 99 - 3 - HG2 LYS 33 - HE2 LYS 53 lone 3 97 - 3 - HG3 ARG 79 - HE3 LYS 53 lone 2 70 - 3 - HG3 ARG 79 - HE2 LYS 53 lone 2 65 - 3 - HG2 ARG 79 - HE3 LYS 53 lone 2 65 - 3 - HG2 ARG 79 - HE2 LYS 53 lone 2 61 - 3 - Peak 2478 from cnoeabs.peaks (2.83, 2.83, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 53 + HE3 LYS 53 OK 100 100 - 100 HE2 LYS 53 + HE2 LYS 53 OK 98 98 - 100 Reference assignment not found: HE2 LYS 53 - HE3 LYS 53 Peak 2479 from cnoeabs.peaks (2.83, 2.83, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 53 + HE3 LYS 53 OK 100 100 - 100 HE2 LYS 53 + HE2 LYS 53 OK 97 97 - 100 Peak 2480 from cnoeabs.peaks (8.49, 2.83, 41.80 ppm; 5.05 A): 3 out of 12 assignments used, quality = 0.94: * H VAL 54 + HE3 LYS 53 OK 72 100 - 72 - 6886/6.0=24, 6887/5.0=21...(8) H VAL 54 + HE2 LYS 53 OK 70 98 - 72 - 6886/6.0=24, 6887/5.0=21...(8) H ARG 79 + HE3 LYS 53 OK 25 94 - 27 - 2447/3.0=6, 2458/3.0=5...(8) H ARG 79 - HE2 LYS 53 OK 24 90 - 27 - 2447/3.0=6, 2458/3.0=5...(8) H THR 31 - HE3 LYS 53 OK 19 98 - 19 - 2447/3.0=4, 2458/3.0=4...(7) H THR 31 - HE2 LYS 53 OK 19 95 - 20 - 2447/3.0=4, 2458/3.0=4...(7) H ALA 67 - HE3 LYS 53 OK 18 92 - 20 - 2447/3.0=4, 2458/3.0=4...(7) H ALA 67 - HE2 LYS 53 OK 17 88 - 20 - 2447/3.0=4, 2458/3.0=4...(7) H VAL 32 - HE3 LYS 53 OK 16 92 - 17 - 2447/3.0=4, 2458/3.0=4...(7) H VAL 32 - HE2 LYS 53 OK 15 88 - 17 - 2447/3.0=4, 2458/3.0=4...(7) H LEU 2 - HE3 LYS 53 lone 6 61 - 9 - 2447/3.0=2, 2458/3.0=2 H LEU 2 - HE2 LYS 53 lone 5 58 - 9 - 2447/3.0=2, 2458/3.0=2 Peak 2481 from cnoeabs.peaks (8.49, 5.16, 60.16 ppm; 4.65 A): 1 out of 6 assignments used, quality = 1.00: * H VAL 54 + HA VAL 54 OK 100 100 - 100 - 3.0=100 H ARG 79 - HA VAL 54 OK 34 94 - 36 - 2487/3.0=11, 6901/3.6=8...(7) H THR 31 - HA VAL 54 OK 17 98 - 17 - 2493/3.2=4, 2499/3.2=4...(5) H ALA 67 - HA VAL 54 OK 17 92 - 18 - 2499/3.2=3, 2487/3.0=3...(7) H VAL 32 - HA VAL 54 OK 14 92 - 16 - 2499/3.2=3, 2493/3.2=3...(4) H LEU 2 - HA VAL 54 poor 8 61 - 13 - 4.0/10651=6...(5) Peak 2482 from cnoeabs.peaks (5.16, 5.16, 60.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 54 + HA VAL 54 OK 100 100 - 100 Peak 2483 from cnoeabs.peaks (1.89, 5.16, 60.16 ppm; 4.56 A): 2 out of 9 assignments used, quality = 1.00: * HB VAL 54 + HA VAL 54 OK 100 100 - 100 - 3.0=100 HG LEU 42 + HA VAL 54 OK 48 90 - 54 - ~10653=12, 2501/3.2=8...(16) HB2 ARG 19 - HA VAL 54 OK 41 97 - 42 - 8515/3.2=8, ~8517=5...(17) HB ILE 8 - HA VAL 54 OK 35 92 - 38 - 6896/3.0=4, 2.1/9162=4...(16) HB2 LYS 20 - HA VAL 54 OK 28 99 - 28 - 2495/3.2=4, 6896/3.0=3...(16) HB3 LYS 68 - HA VAL 54 OK 16 81 - 19 - ~6887=4, 6896/3.0=3...(6) HB3 LEU 14 - HA VAL 54 OK 12 70 - 17 - ~10209=3, ~10207=2...(7) HB3 LYS 12 - HA VAL 54 poor 9 61 - 15 - ~10658=3, 3.6/10651=2...(5) HB3 GLU 104 - HA VAL 54 lone 2 77 - 3 - Peak 2484 from cnoeabs.peaks (0.65, 5.16, 60.16 ppm; 3.81 A): 2 out of 3 assignments used, quality = 1.00: * QG2 VAL 54 + HA VAL 54 OK 100 100 - 100 - 3.2=100 QD1 LEU 29 + HA VAL 54 OK 50 100 - 50 - 6897/3.0=9, 2490/3.0=8...(21) QD2 LEU 29 - HA VAL 54 OK 39 87 - 45 - 2490/3.0=6, 6897/3.0=6...(19) Peak 2485 from cnoeabs.peaks (0.76, 5.16, 60.16 ppm; 3.44 A): 1 out of 11 assignments used, quality = 1.00: * QG1 VAL 54 + HA VAL 54 OK 100 100 - 100 - 3.2=100 QG1 VAL 78 - HA VAL 54 OK 39 73 - 54 - ~11101=9, ~11103=8...(18) QD2 LEU 42 - HA VAL 54 OK 33 99 - 34 - ~10653=5, 1947/3.0=5...(16) QG2 ILE 52 - HA VAL 54 OK 22 70 - 31 - ~10654=4, ~9240=4...(14) QD1 LEU 6 - HA VAL 54 OK 19 94 - 20 - ~10209=3, 2497/3.2=2...(10) QD1 LEU 27 - HA VAL 54 OK 15 97 - 16 - 4.7/8655=5, 6905/3.6=2...(4) QD1 ILE 93 - HA VAL 54 OK 13 96 - 14 - 5.0/10203=3, 6905/3.6=2...(5) QD1 ILE 15 - HA VAL 54 OK 13 100 - 13 - 2.1/10651=2, 8466/3.0=2...(4) QG2 ILE 93 - HA VAL 54 OK 13 90 - 14 - 4.0/10203=3, 6905/3.6=2...(4) HG13 ILE 15 - HA VAL 54 OK 12 97 - 12 - 1.8/10651=2, 8465/3.0=1...(4) HG13 ILE 93 - HA VAL 54 poor 7 65 - 10 - 4.6/10203=3 Peak 2486 from cnoeabs.peaks (8.64, 5.16, 60.16 ppm; 3.38 A): 2 out of 3 assignments used, quality = 0.94: * H LEU 55 + HA VAL 54 OK 92 100 - 92 - 3.6=85, 2504/3.2=15...(10) H ASN 10 + HA VAL 54 OK 17 99 - 17 - 2504/3.2=5, 2498/3.2=4...(6) H ALA 18 - HA VAL 54 poor 9 61 - 14 - 2504/3.2=2, 2498/3.2=2...(6) Peak 2487 from cnoeabs.peaks (8.49, 1.89, 35.51 ppm; 3.72 A): 2 out of 6 assignments used, quality = 0.98: * H VAL 54 + HB VAL 54 OK 95 100 - 95 - 3.9=89, 6897/2.1=20...(11) H ARG 79 + HB VAL 54 OK 53 94 - 56 - 3.6/11103=23...(9) H THR 31 - HB VAL 54 OK 17 98 - 17 - 2493/2.1=4, 2499/2.1=3...(6) H VAL 32 - HB VAL 54 OK 15 92 - 17 - 2493/2.1=3, 2499/2.1=3...(6) H ALA 67 - HB VAL 54 OK 14 92 - 15 - 2493/2.1=3, 2499/2.1=2...(5) H LEU 2 - HB VAL 54 lone 5 61 - 7 - 4.7/9233=2, 2493/2.1=1 Peak 2488 from cnoeabs.peaks (5.16, 1.89, 35.51 ppm; 3.87 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 54 + HB VAL 54 OK 100 100 - 100 - 3.0=100 HA TYR 4 + HB VAL 54 OK 62 73 - 84 - 2494/2.1=15, 2500/2.1=15...(21) Peak 2489 from cnoeabs.peaks (1.89, 1.89, 35.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 54 + HB VAL 54 OK 100 100 - 100 Peak 2490 from cnoeabs.peaks (0.65, 1.89, 35.51 ppm; 3.40 A): 2 out of 3 assignments used, quality = 1.00: * QG2 VAL 54 + HB VAL 54 OK 100 100 - 100 - 2.1=100 QD1 LEU 29 + HB VAL 54 OK 45 100 - 45 - 2502/2.1=8, 2484/3.0=6...(17) QD2 LEU 29 - HB VAL 54 OK 37 87 - 42 - 2502/2.1=6, 8674=5...(17) Peak 2491 from cnoeabs.peaks (0.76, 1.89, 35.51 ppm; 2.95 A): 1 out of 11 assignments used, quality = 1.00: * QG1 VAL 54 + HB VAL 54 OK 100 100 - 100 - 2.1=100 QD2 LEU 42 - HB VAL 54 OK 37 99 - 37 - 1947=6, ~10653=6...(17) QG1 VAL 78 - HB VAL 54 OK 36 73 - 49 - 3.2/11103=15...(12) QG2 ILE 52 - HB VAL 54 OK 17 70 - 25 - ~10654=4, ~9240=4...(10) QD1 LEU 6 - HB VAL 54 OK 17 94 - 18 - ~10209=3, 2497/2.1=3...(10) QD1 ILE 15 - HB VAL 54 OK 11 100 - 11 - 2497/2.1=1, 8466=1 HG13 ILE 15 - HB VAL 54 OK 10 97 - 11 - 2497/2.1=1, 2.1/8466=1 QD1 ILE 93 - HB VAL 54 lone 10 96 - 10 - 2497/2.1=2, 11003/4.5=1 QD1 LEU 27 - HB VAL 54 lone 8 97 - 8 - 2497/2.1=1, 2485/3.0=1 QG2 ILE 93 - HB VAL 54 lone 8 90 - 9 - 2497/2.1=1, 6905/4.5=1 HG13 ILE 93 - HB VAL 54 lone 4 65 - 6 - Peak 2492 from cnoeabs.peaks (8.64, 1.89, 35.51 ppm; 5.33 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 55 + HB VAL 54 OK 100 100 - 100 - 4.5=100 H ASN 10 - HB VAL 54 OK 42 99 - 42 - 2504/2.1=11, 2498/2.1=10...(9) H ALA 18 - HB VAL 54 OK 26 61 - 42 - 2498/2.1=7, ~8481=6...(12) Peak 2493 from cnoeabs.peaks (8.49, 0.65, 22.12 ppm; 3.51 A): 5 out of 6 assignments used, quality = 0.93: * H VAL 54 + QG2 VAL 54 OK 85 100 - 85 - 4.0=67, 6896/2.1=19...(8) H ARG 79 + QG2 VAL 54 OK 25 94 - 27 - 2487/2.1=8, 2499/2.1=6...(8) H THR 31 + QG2 VAL 54 OK 16 98 - 16 - 2499/2.1=3, 2487/2.1=3...(7) H VAL 32 + QG2 VAL 54 OK 13 92 - 14 - 2499/2.1=3, 2487/2.1=2...(5) H ALA 67 + QG2 VAL 54 OK 11 92 - 11 - 2499/2.1=2, 2487/2.1=2...(5) H LEU 2 - QG2 VAL 54 lone 5 61 - 8 - 4.7/11070=3, 4.7/10207=1 Peak 2494 from cnoeabs.peaks (5.16, 0.65, 22.12 ppm; 3.40 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 54 + QG2 VAL 54 OK 100 100 - 100 - 3.2=100 HA TYR 4 + QG2 VAL 54 OK 58 73 - 79 - 3.0/9239=15, 3.0/9238=14...(24) Peak 2495 from cnoeabs.peaks (1.89, 0.65, 22.12 ppm; 3.19 A): 1 out of 9 assignments used, quality = 1.00: * HB VAL 54 + QG2 VAL 54 OK 100 100 - 100 - 2.1=100 HB2 ARG 19 - QG2 VAL 54 OK 37 97 - 38 - 8515=5, 3.0/8518=5...(19) HG LEU 42 - QG2 VAL 54 OK 36 90 - 40 - ~10653=7, 2501/2.1=7...(16) HB2 LYS 20 - QG2 VAL 54 OK 24 99 - 24 - 4.0/8528=3, 2501/2.1=2...(11) HB ILE 8 - QG2 VAL 54 OK 21 92 - 23 - 2.9/11070=5, 2501/2.1=2...(9) HB3 LEU 14 - QG2 VAL 54 poor 9 70 - 12 - 1.8/10207=2, ~10209=2...(4) HB3 LYS 68 - QG2 VAL 54 lone 7 81 - 9 - 6896/4.0=1, 2501/2.1=1 HB3 LYS 12 - QG2 VAL 54 lone 4 61 - 6 - ~10658=2 HB3 GLU 104 - QG2 VAL 54 lone 1 77 - 1 - Peak 2496 from cnoeabs.peaks (0.65, 0.65, 22.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 54 + QG2 VAL 54 OK 100 100 - 100 Peak 2497 from cnoeabs.peaks (0.76, 0.65, 22.12 ppm; 2.61 A): 1 out of 11 assignments used, quality = 1.00: * QG1 VAL 54 + QG2 VAL 54 OK 100 100 - 100 - 2.1=100 QD2 LEU 42 - QG2 VAL 54 OK 30 99 - 31 - ~10653=4, 1947/2.1=4...(16) QG1 VAL 78 - QG2 VAL 54 OK 24 73 - 32 - ~11103=6, ~11104=5...(13) QD1 LEU 6 - QG2 VAL 54 OK 18 94 - 20 - 8214/9228=2, ~10209=2...(7) QG2 ILE 52 - QG2 VAL 54 OK 16 70 - 23 - 3.2/9240=5, ~10654=3...(7) QD1 ILE 93 - QG2 VAL 54 OK 10 96 - 11 - 5.0/9227=1 QD1 ILE 15 - QG2 VAL 54 lone 9 100 - 9 - 2491/2.1=1 QG2 ILE 93 - QG2 VAL 54 lone 9 90 - 9 - 4.0/9227=2 HG13 ILE 15 - QG2 VAL 54 lone 8 97 - 9 - QD1 LEU 27 - QG2 VAL 54 lone 8 97 - 8 - HG13 ILE 93 - QG2 VAL 54 lone 4 65 - 7 - 4.6/9227=1 Peak 2498 from cnoeabs.peaks (8.64, 0.65, 22.12 ppm; 4.60 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 55 + QG2 VAL 54 OK 100 100 - 100 - 4.1=100 H ASN 10 - QG2 VAL 54 OK 36 99 - 36 - 2504/2.1=10, 2492/2.1=7...(7) H ALA 18 - QG2 VAL 54 OK 23 61 - 37 - 2.9/8481=7, 4.7/8505=5...(12) Peak 2499 from cnoeabs.peaks (8.49, 0.76, 21.39 ppm; 3.95 A): 1 out of 6 assignments used, quality = 0.98: * H VAL 54 + QG1 VAL 54 OK 98 100 - 98 - 4.0=95, 6897/2.1=22...(9) H ARG 79 - QG1 VAL 54 OK 39 94 - 41 - 2487/2.1=10, 2493/2.1=6...(13) H THR 31 - QG1 VAL 54 OK 21 98 - 21 - 2493/2.1=4, 4.6/8713=4...(6) H VAL 32 - QG1 VAL 54 OK 18 92 - 20 - 4.6/10663=6, 2493/2.1=3...(6) H ALA 67 - QG1 VAL 54 OK 15 92 - 16 - 3.0/10658=4, 2493/2.1=3...(5) H LEU 2 - QG1 VAL 54 poor 6 61 - 10 - 4.0/12274=2, 4.7/10209=2...(4) Peak 2500 from cnoeabs.peaks (5.16, 0.76, 21.39 ppm; 3.34 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 54 + QG1 VAL 54 OK 100 100 - 100 - 3.2=100 HA TYR 4 + QG1 VAL 54 OK 56 73 - 77 - 3.0/9245=15, 3.0/9246=14...(23) Peak 2501 from cnoeabs.peaks (1.89, 0.76, 21.39 ppm; 2.88 A): 1 out of 9 assignments used, quality = 1.00: * HB VAL 54 + QG1 VAL 54 OK 100 100 - 100 - 2.1=100 HG LEU 42 - QG1 VAL 54 OK 38 90 - 43 - 3.0/10653=12...(14) HB2 ARG 19 - QG1 VAL 54 OK 22 97 - 22 - 2495/2.1=4, ~8517=3...(11) HB ILE 8 - QG1 VAL 54 OK 15 92 - 16 - 2495/2.1=2, ~11070=2...(6) HB2 LYS 20 - QG1 VAL 54 OK 13 99 - 13 - 2495/2.1=3, 6896/4.0=1 HB3 LEU 14 - QG1 VAL 54 poor 8 70 - 12 - 1.8/10209=3, ~10207=1 HB3 LYS 68 - QG1 VAL 54 lone 7 81 - 9 - 6896/4.0=1 HB3 LYS 12 - QG1 VAL 54 lone 5 61 - 8 - 3.0/10658=2 HB3 GLU 104 - QG1 VAL 54 lone 1 77 - 1 - Peak 2502 from cnoeabs.peaks (0.65, 0.76, 21.39 ppm; 2.72 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 54 + QG1 VAL 54 OK 100 100 - 100 - 2.1=100 QD1 LEU 29 - QG1 VAL 54 OK 31 100 - 31 - 2490/2.1=5, 2484/3.2=4...(12) QD2 LEU 29 - QG1 VAL 54 OK 23 87 - 27 - 2490/2.1=4, 2484/3.2=3...(11) Peak 2503 from cnoeabs.peaks (0.76, 0.76, 21.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 54 + QG1 VAL 54 OK 100 100 - 100 Peak 2504 from cnoeabs.peaks (8.64, 0.76, 21.39 ppm; 3.73 A): 3 out of 3 assignments used, quality = 0.95: * H LEU 55 + QG1 VAL 54 OK 92 100 - 92 - 4.1=74, 6902/3.2=25...(13) H ASN 10 + QG1 VAL 54 OK 29 99 - 30 - 2498/2.1=5, 3.0/8356=5...(10) H ALA 18 + QG1 VAL 54 OK 15 61 - 24 - 2498/2.1=4, 2.9/8482=3...(10) Peak 2506 from cnoeabs.peaks (4.67, 4.67, 52.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 55 + HA LEU 55 OK 100 100 - 100 Peak 2507 from cnoeabs.peaks (-0.63, 4.67, 52.29 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + HA LEU 55 OK 100 100 - 100 - 3.0=100 Peak 2508 from cnoeabs.peaks (1.03, 4.67, 52.29 ppm; 4.55 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 55 + HA LEU 55 OK 100 100 - 100 - 3.0=100 QG1 VAL 83 - HA LEU 55 OK 43 70 - 62 - 2516/3.0=9, 2532/3.7=9...(14) HG12 ILE 52 - HA LEU 55 OK 36 81 - 44 - 2516/3.0=6, 6908/2.9=6...(13) Peak 2509 from cnoeabs.peaks (0.96, 4.67, 52.29 ppm; 6.50 A): 4 out of 4 assignments used, quality = 1.00: * HG LEU 55 + HA LEU 55 OK 100 100 - 100 - 3.7=100 QG2 VAL 83 + HA LEU 55 OK 80 100 - 80 - 3753/3.6=19, 2517/3.0=13...(15) QG2 VAL 5 + HA LEU 55 OK 65 65 - 99 - ~9295=39, 2.1/8180=35...(20) QG2 THR 80 + HA LEU 55 OK 48 73 - 65 - 3.2/9713=29...(14) Peak 2510 from cnoeabs.peaks (0.44, 4.67, 52.29 ppm; 4.31 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 55 + HA LEU 55 OK 100 100 - 100 - 4.0=100 HG2 ARG 81 + HA LEU 55 OK 55 96 - 58 - 2518/3.0=13, 2526/3.0=12...(10) Peak 2511 from cnoeabs.peaks (0.51, 4.67, 52.29 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + HA LEU 55 OK 100 100 - 100 - 4.0=100 Peak 2512 from cnoeabs.peaks (9.19, 4.67, 52.29 ppm; 3.24 A): 2 out of 3 assignments used, quality = 0.91: * H ILE 56 + HA LEU 55 OK 88 100 - 88 - 3.6=75, 6919/4.0=12...(11) H THR 84 + HA LEU 55 OK 24 87 - 28 - 2544/4.0=5, 6912/2.9=4...(9) H GLU 35 - HA LEU 55 lone 6 81 - 7 - 2544/4.0=1, 2552/4.0=1 Peak 2513 from cnoeabs.peaks (8.64, -0.63, 42.07 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 55 + HB2 LEU 55 OK 100 100 - 100 - 3.9=100 H ASN 10 - HB2 LEU 55 OK 25 99 - 25 - 2521/1.8=8, 2537/3.1=6...(6) H ALA 18 - HB2 LEU 55 lone 3 61 - 6 - 2537/3.1=1, 6914/4.5=1...(4) Peak 2514 from cnoeabs.peaks (4.67, -0.63, 42.07 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 55 + HB2 LEU 55 OK 100 100 - 100 - 3.0=100 HA LEU 27 - HB2 LEU 55 OK 30 65 - 45 - 2522/1.8=8, 2538/3.1=7...(12) Peak 2515 from cnoeabs.peaks (-0.63, -0.63, 42.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + HB2 LEU 55 OK 100 100 - 100 Peak 2516 from cnoeabs.peaks (1.03, -0.63, 42.07 ppm; 3.64 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 55 + HB2 LEU 55 OK 100 100 - 100 - 1.8=100 QG1 VAL 83 - HB2 LEU 55 OK 39 70 - 56 - 2.1/2517=8, 2532/3.0=7...(17) HG12 ILE 52 - HB2 LEU 55 OK 26 81 - 32 - 2540/3.1=4, 2508/3.0=4...(12) Peak 2517 from cnoeabs.peaks (0.96, -0.63, 42.07 ppm; 3.95 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 55 + HB2 LEU 55 OK 100 100 - 100 - 3.0=100 QG2 VAL 83 + HB2 LEU 55 OK 63 100 - 63 - 2525/1.8=10, 2.1/2516=9...(17) QG2 VAL 5 + HB2 LEU 55 OK 58 65 - 89 - 3.2/9250=18, 8198=18...(21) QG2 THR 80 - HB2 LEU 55 OK 31 73 - 43 - ~9258=8, ~9713=7...(13) Peak 2518 from cnoeabs.peaks (0.44, -0.63, 42.07 ppm; 4.31 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 55 + HB2 LEU 55 OK 100 100 - 100 - 3.1=100 HG2 ARG 81 + HB2 LEU 55 OK 71 96 - 74 - 2526/1.8=15, 2534/3.0=14...(16) Peak 2519 from cnoeabs.peaks (0.51, -0.63, 42.07 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + HB2 LEU 55 OK 100 100 - 100 - 3.1=100 Peak 2520 from cnoeabs.peaks (9.19, -0.63, 42.07 ppm; 5.60 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 56 + HB2 LEU 55 OK 100 100 - 100 - 4.5=100 H THR 84 + HB2 LEU 55 OK 56 87 - 64 - 2536/3.0=13, 2544/3.1=13...(8) H GLU 35 - HB2 LEU 55 OK 16 81 - 19 - 2552/3.1=4, 2536/3.0=4...(6) Peak 2521 from cnoeabs.peaks (8.64, 1.03, 42.07 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 55 + HB3 LEU 55 OK 100 100 - 100 - 3.9=100 H ASN 10 - HB3 LEU 55 OK 23 99 - 23 - 2513/1.8=7, 2537/3.1=5...(5) H ALA 18 - HB3 LEU 55 lone 3 61 - 5 - 2537/3.1=1, 2545/3.1=1 Peak 2522 from cnoeabs.peaks (4.67, 1.03, 42.07 ppm; 4.95 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 55 + HB3 LEU 55 OK 100 100 - 100 - 3.0=100 HA LEU 27 - HB3 LEU 55 OK 30 65 - 46 - 2514/1.8=10, 2538/3.1=7...(11) Peak 2523 from cnoeabs.peaks (-0.63, 1.03, 42.07 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + HB3 LEU 55 OK 100 100 - 100 - 1.8=100 Peak 2524 from cnoeabs.peaks (1.03, 1.03, 42.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 55 + HB3 LEU 55 OK 100 100 - 100 Peak 2525 from cnoeabs.peaks (0.96, 1.03, 42.07 ppm; 3.84 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 55 + HB3 LEU 55 OK 100 100 - 100 - 3.0=100 QG2 VAL 83 + HB3 LEU 55 OK 62 100 - 62 - 2517/1.8=9, 2541/3.1=8...(19) QG2 VAL 5 + HB3 LEU 55 OK 56 65 - 85 - 3.2/8189=20, 8198/1.8=15...(21) QG2 THR 80 - HB3 LEU 55 OK 30 73 - 41 - ~9258=7, ~9713=6...(13) Peak 2526 from cnoeabs.peaks (0.44, 1.03, 42.07 ppm; 4.49 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 55 + HB3 LEU 55 OK 100 100 - 100 - 3.1=100 HG2 ARG 81 + HB3 LEU 55 OK 73 96 - 76 - 2518/1.8=17, 2534/3.0=15...(15) Peak 2527 from cnoeabs.peaks (0.51, 1.03, 42.07 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + HB3 LEU 55 OK 100 100 - 100 - 3.1=100 Peak 2530 from cnoeabs.peaks (4.67, 0.96, 27.00 ppm; 5.34 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 55 + HG LEU 55 OK 100 100 - 100 - 3.7=100 HA LEU 27 - HG LEU 55 OK 26 65 - 40 - 2514/3.0=9, 2546/2.1=9...(6) Peak 2531 from cnoeabs.peaks (-0.63, 0.96, 27.00 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + HG LEU 55 OK 100 100 - 100 - 3.0=100 Peak 2532 from cnoeabs.peaks (1.03, 0.96, 27.00 ppm; 3.68 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 55 + HG LEU 55 OK 100 100 - 100 - 3.0=100 QG1 VAL 83 - HG LEU 55 OK 43 70 - 62 - 2.1/3745=10, 2548/2.1=8...(20) HG12 ILE 52 - HG LEU 55 OK 24 81 - 30 - 2540/2.1=6, 2548/2.1=5...(10) Peak 2533 from cnoeabs.peaks (0.96, 0.96, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 55 + HG LEU 55 OK 100 100 - 100 Peak 2534 from cnoeabs.peaks (0.44, 0.96, 27.00 ppm; 3.74 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 55 + HG LEU 55 OK 100 100 - 100 - 2.1=100 HG2 ARG 81 + HG LEU 55 OK 63 96 - 66 - 2550/2.1=14, 2518/3.0=10...(17) Peak 2535 from cnoeabs.peaks (0.51, 0.96, 27.00 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + HG LEU 55 OK 100 100 - 100 - 2.1=100 Peak 2536 from cnoeabs.peaks (9.19, 0.96, 27.00 ppm; 5.54 A): 2 out of 3 assignments used, quality = 0.98: * H ILE 56 + HG LEU 55 OK 95 100 - 95 - 6920/2.1=46, 6915/3.7=42...(19) H THR 84 + HG LEU 55 OK 67 87 - 77 - 2552/2.1=14, 2544/2.1=14...(21) H GLU 35 - HG LEU 55 OK 17 81 - 21 - 2552/2.1=4, 2520/3.0=3...(6) Peak 2537 from cnoeabs.peaks (8.64, 0.44, 22.30 ppm; 4.64 A): 1 out of 3 assignments used, quality = 0.99: * H LEU 55 + QD1 LEU 55 OK 99 100 - 99 - 4.8=90, 6911/2.1=40...(17) H ASN 10 - QD1 LEU 55 OK 24 99 - 24 - 2545/2.1=7, 2513/3.1=6...(6) H ALA 18 - QD1 LEU 55 lone 5 61 - 9 - 11127/9280=2, 2545/2.1=1 Peak 2538 from cnoeabs.peaks (4.67, 0.44, 22.30 ppm; 3.31 A): 2 out of 2 assignments used, quality = 0.82: * HA LEU 55 + QD1 LEU 55 OK 79 100 - 79 - 4.0=57, 3.6/6919=14...(11) HA LEU 27 + QD1 LEU 55 OK 15 65 - 22 - 2514/3.1=3, 2546/2.1=3...(9) Peak 2539 from cnoeabs.peaks (-0.63, 0.44, 22.30 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + QD1 LEU 55 OK 100 100 - 100 - 3.1=100 Peak 2540 from cnoeabs.peaks (1.03, 0.44, 22.30 ppm; 3.39 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 55 + QD1 LEU 55 OK 100 100 - 100 - 3.1=100 QG1 VAL 83 - QD1 LEU 55 OK 37 70 - 53 - 2.1/2541=8, 2532/2.1=8...(20) HG12 ILE 52 - QD1 LEU 55 OK 25 81 - 30 - 3.0/9252=5, 3.8/9258=4...(11) Peak 2541 from cnoeabs.peaks (0.96, 0.44, 22.30 ppm; 3.09 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 55 + QD1 LEU 55 OK 100 100 - 100 - 2.1=100 QG2 VAL 83 + QD1 LEU 55 OK 51 100 - 51 - 2549/2.1=7, 2.1/2540=6...(22) QG2 VAL 5 + QD1 LEU 55 OK 45 65 - 69 - ~8195=13, ~9261=7...(22) QG2 THR 80 - QD1 LEU 55 OK 29 73 - 39 - 4.2/9280=11, 3.2/9258=10...(12) Peak 2542 from cnoeabs.peaks (0.44, 0.44, 22.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 55 + QD1 LEU 55 OK 100 100 - 100 Peak 2543 from cnoeabs.peaks (0.51, 0.44, 22.30 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + QD1 LEU 55 OK 100 100 - 100 - 2.1=100 Peak 2544 from cnoeabs.peaks (9.19, 0.44, 22.30 ppm; 3.39 A): 2 out of 3 assignments used, quality = 0.85: * H ILE 56 + QD1 LEU 55 OK 77 100 - 77 - 6919=34, 3.6/2538=19...(15) H THR 84 + QD1 LEU 55 OK 32 87 - 36 - 7361/2.1=6, 4.0/2541=5...(11) H GLU 35 - QD1 LEU 55 lone 7 81 - 8 - 2552/2.1=1, 2536/2.1=1 Peak 2545 from cnoeabs.peaks (8.64, 0.51, 26.14 ppm; 4.95 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 55 + QD2 LEU 55 OK 100 100 - 100 - 4.8=100 H ASN 10 - QD2 LEU 55 OK 25 99 - 25 - 2537/2.1=8, 2513/3.1=7...(5) H ALA 18 - QD2 LEU 55 lone 5 61 - 8 - 2537/2.1=2, 11003/10021=1 Peak 2546 from cnoeabs.peaks (4.67, 0.51, 26.14 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 55 + QD2 LEU 55 OK 100 100 - 100 - 4.0=100 HA LEU 27 - QD2 LEU 55 OK 25 65 - 37 - 2538/2.1=8, 2514/3.1=7...(8) Peak 2547 from cnoeabs.peaks (-0.63, 0.51, 26.14 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + QD2 LEU 55 OK 100 100 - 100 - 3.1=100 Peak 2548 from cnoeabs.peaks (1.03, 0.51, 26.14 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 55 + QD2 LEU 55 OK 100 100 - 100 - 3.1=100 QG1 VAL 83 - QD2 LEU 55 OK 36 70 - 52 - 2.1/2549=8, 2532/2.1=8...(18) HG12 ILE 52 - QD2 LEU 55 OK 21 81 - 26 - 2540/2.1=5, 2532/2.1=4...(11) Peak 2549 from cnoeabs.peaks (0.96, 0.51, 26.14 ppm; 3.12 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 55 + QD2 LEU 55 OK 100 100 - 100 - 2.1=100 QG2 VAL 83 + QD2 LEU 55 OK 48 100 - 48 - 2541/2.1=7, 2.1/2548=6...(20) QG2 VAL 5 - QD2 LEU 55 OK 43 65 - 65 - 2.1/8195=14, 3.2/9261=11...(19) QG2 THR 80 - QD2 LEU 55 OK 21 73 - 28 - ~9258=6, 2541/2.1=4...(11) Peak 2550 from cnoeabs.peaks (0.44, 0.51, 26.14 ppm; 2.91 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 55 + QD2 LEU 55 OK 100 100 - 100 - 2.1=100 HG2 ARG 81 + QD2 LEU 55 OK 46 96 - 48 - 2534/2.1=8, ~3614=6...(16) Peak 2551 from cnoeabs.peaks (0.51, 0.51, 26.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + QD2 LEU 55 OK 100 100 - 100 Peak 2552 from cnoeabs.peaks (9.19, 0.51, 26.14 ppm; 5.29 A): 2 out of 3 assignments used, quality = 0.97: * H ILE 56 + QD2 LEU 55 OK 94 100 - 94 - 6920=50, 6915/4.0=39...(15) H THR 84 + QD2 LEU 55 OK 55 87 - 64 - 2544/2.1=14, 2536/2.1=13...(10) H GLU 35 - QD2 LEU 55 OK 17 81 - 20 - 2536/2.1=4, 2520/3.1=3...(8) Peak 2554 from cnoeabs.peaks (4.88, 4.88, 59.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 56 + HA ILE 56 OK 100 100 - 100 Peak 2555 from cnoeabs.peaks (1.76, 4.88, 59.98 ppm; 3.91 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 56 + HA ILE 56 OK 100 100 - 100 - 3.0=100 HB3 LYS 82 - HA ILE 56 OK 44 100 - 44 - 2571/3.2=7, ~9305=6...(14) HB VAL 78 - HA ILE 56 OK 25 70 - 36 - ~9300=11, 6922/3.0=5...(15) HG3 ARG 19 - HA ILE 56 OK 20 100 - 20 - 2571/3.2=3, 2579/3.9=2...(10) HB2 LYS 66 - HA ILE 56 OK 19 100 - 19 - 2571/3.2=3, 6931/3.6=3...(8) HB3 GLU 63 - HA ILE 56 OK 10 77 - 13 - 2587/3.9=2, 2571/3.2=2...(8) Peak 2556 from cnoeabs.peaks (0.60, 4.88, 59.98 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 56 + HA ILE 56 OK 100 100 - 100 - 3.2=100 Peak 2557 from cnoeabs.peaks (1.53, 4.88, 59.98 ppm; 3.79 A): 3 out of 10 assignments used, quality = 1.00: * HG12 ILE 56 + HA ILE 56 OK 97 100 - 97 - 3.9=91, 2577/3.0=14...(17) HG LEU 6 + HA ILE 56 OK 67 98 - 69 - 3.0/8223=15, 3.0/8221=14...(15) HB2 LEU 14 + HA ILE 56 OK 55 94 - 59 - ~11079=10, 8254=9...(24) HB ILE 7 - HA ILE 56 OK 44 94 - 47 - 2.1/8255=12, 4.0/8251=11...(12) HG2 ARG 79 - HA ILE 56 OK 26 100 - 26 - ~9698=6, 6924/3.0=4...(11) HG3 ARG 79 - HA ILE 56 OK 25 99 - 26 - ~9698=6, 6924/3.0=4...(11) HG3 ARG 30 - HA ILE 56 OK 11 100 - 11 - 6933/3.6=2, 6924/3.0=1 HG LEU 2 - HA ILE 56 poor 9 73 - 12 - 6933/3.6=2, ~10667=1...(5) HB3 LEU 103 - HA ILE 56 lone 8 96 - 8 - HG2 LYS 33 - HA ILE 56 lone 3 70 - 5 - Peak 2558 from cnoeabs.peaks (0.71, 4.88, 59.98 ppm; 4.77 A): 6 out of 8 assignments used, quality = 1.00: * HG13 ILE 56 + HA ILE 56 OK 100 100 - 100 - 3.9=100 QD1 ILE 56 + HA ILE 56 OK 97 97 - 100 - 4.2=100 QD2 LEU 14 + HA ILE 56 OK 65 98 - 66 - ~11079=21, 3.1/8254=10...(16) QD1 ILE 8 + HA ILE 56 OK 61 99 - 61 - ~10383=16, 8313/3.2=14...(10) QG1 VAL 5 + HA ILE 56 OK 56 87 - 64 - 4.1/8216=21, 4.0/2560=12...(14) QG1 VAL 58 + HA ILE 56 OK 52 98 - 53 - 10706/4.9=24...(9) QG2 VAL 78 - HA ILE 56 OK 42 97 - 43 - ~9300=16, 6925/3.0=5...(11) QD2 LEU 27 - HA ILE 56 poor 8 77 - 10 - ~9329=1, ~9318=1...(4) Peak 2559 from cnoeabs.peaks (0.71, 4.88, 59.98 ppm; 4.30 A): 4 out of 9 assignments used, quality = 1.00: * QD1 ILE 56 + HA ILE 56 OK 100 100 - 100 - 4.2=100 HG13 ILE 56 + HA ILE 56 OK 97 97 - 100 - 3.9=100 QD2 LEU 14 + HA ILE 56 OK 59 100 - 59 - ~11079=17, 3.1/8254=9...(16) QD1 ILE 8 + HA ILE 56 OK 55 100 - 55 - 8313/3.2=13, ~10383=12...(10) QG1 VAL 5 - HA ILE 56 OK 33 61 - 54 - 4.1/8216=18, 4.0/2560=10...(12) QG1 VAL 58 - HA ILE 56 OK 32 84 - 38 - 10706/4.9=14...(9) QG2 VAL 78 - HA ILE 56 OK 29 81 - 36 - ~9300=13, 2.1/2555=5...(11) QD1 ILE 52 - HA ILE 56 OK 11 84 - 12 - ~6917=3, 6926/3.0=2, 2575/3.2=1 QD1 LEU 42 - HA ILE 56 lone 4 61 - 6 - Peak 2560 from cnoeabs.peaks (8.93, 4.88, 59.98 ppm; 3.32 A): 2 out of 2 assignments used, quality = 0.94: * H LEU 57 + HA ILE 56 OK 91 100 - 91 - 3.6=80, 6932/3.2=24...(12) H VAL 5 + HA ILE 56 OK 41 90 - 46 - 4.7/8216=9, 2576/3.2=8...(13) Peak 2561 from cnoeabs.peaks (9.19, 1.76, 38.18 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 56 + HB ILE 56 OK 100 100 - 100 - 3.8=99, 3.6/9304=16...(13) H THR 84 - HB ILE 56 OK 35 87 - 41 - 4.0/9328=9, 2569/2.1=8...(13) H GLU 35 - HB ILE 56 poor 10 81 - 12 - 2569/2.1=3, 2585/2.9=3...(5) Peak 2562 from cnoeabs.peaks (4.88, 1.76, 38.18 ppm; 5.18 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 56 + HB ILE 56 OK 100 100 - 100 - 3.0=100 HA THR 31 + HB ILE 56 OK 60 94 - 64 - 2570/2.1=14, 2578/2.9=13...(13) Peak 2563 from cnoeabs.peaks (1.76, 1.76, 38.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 56 + HB ILE 56 OK 100 100 - 100 Peak 2564 from cnoeabs.peaks (0.60, 1.76, 38.18 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 56 + HB ILE 56 OK 100 100 - 100 - 2.1=100 Peak 2565 from cnoeabs.peaks (1.53, 1.76, 38.18 ppm; 3.83 A): 3 out of 10 assignments used, quality = 1.00: * HG12 ILE 56 + HB ILE 56 OK 100 100 - 100 - 2.9=100 HB2 LEU 14 + HB ILE 56 OK 69 94 - 73 - ~11079=14, 3.0/9321=7...(34) HG LEU 6 + HB ILE 56 OK 66 98 - 67 - ~8236=15, ~8235=15...(17) HB ILE 7 - HB ILE 56 OK 38 94 - 41 - ~8255=6, 8254/3.0=6...(17) HG2 ARG 79 - HB ILE 56 OK 31 100 - 31 - 2573/2.1=3, 6924/3.8=3...(14) HG3 ARG 79 - HB ILE 56 OK 31 99 - 31 - 2573/2.1=3, ~10672=3...(13) HG3 ARG 30 - HB ILE 56 OK 12 100 - 12 - 2573/2.1=1, 6933/4.4=1 HG LEU 2 - HB ILE 56 OK 11 73 - 15 - ~9325=1, 6933/4.4=1...(5) HB3 LEU 103 - HB ILE 56 lone 9 96 - 9 - ~10674=2, 2573/2.1=1 HG2 LYS 33 - HB ILE 56 lone 4 70 - 6 - Peak 2566 from cnoeabs.peaks (0.71, 1.76, 38.18 ppm; 3.03 A): 3 out of 8 assignments used, quality = 1.00: * HG13 ILE 56 + HB ILE 56 OK 100 100 - 100 - 2.9=100 QD1 ILE 56 + HB ILE 56 OK 88 97 - 91 - 3.2=83, 8313/2.1=22...(9) QD2 LEU 14 + HB ILE 56 OK 49 98 - 51 - ~11079=10, 2574/2.1=5...(26) QD1 ILE 8 - HB ILE 56 OK 44 99 - 44 - 8313/2.1=10, ~10383=7...(15) QG1 VAL 58 - HB ILE 56 OK 28 98 - 28 - 10714/4.4=6, 2574/2.1=3...(11) QG1 VAL 5 - HB ILE 56 OK 25 87 - 29 - 2.1/9328=7, 4.0/2568=3...(10) QG2 VAL 78 - HB ILE 56 OK 24 97 - 24 - 2574/2.1=2, 6925/3.8=2...(14) QD2 LEU 27 - HB ILE 56 lone 6 77 - 8 - Peak 2567 from cnoeabs.peaks (0.71, 1.76, 38.18 ppm; 3.19 A): 4 out of 9 assignments used, quality = 1.00: * QD1 ILE 56 + HB ILE 56 OK 98 100 - 98 - 3.2=96, 2596/2.1=25...(11) HG13 ILE 56 + HB ILE 56 OK 97 97 - 100 - 2.9=100 QD2 LEU 14 + HB ILE 56 OK 56 100 - 56 - ~11079=11, 2575/2.1=6...(27) QD1 ILE 8 + HB ILE 56 OK 49 100 - 49 - 8313/2.1=11, ~10383=8...(16) QG1 VAL 58 - HB ILE 56 OK 23 84 - 28 - 10714/4.4=5, 2.1/9375=3...(12) QG2 VAL 78 - HB ILE 56 OK 20 81 - 25 - 2574/2.1=2, 6925/3.8=2...(16) QG1 VAL 5 - HB ILE 56 OK 17 61 - 28 - 2.1/9328=8, 4.0/2568=3...(10) QD1 ILE 52 - HB ILE 56 poor 9 84 - 11 - 4.1/9302=4 QD1 LEU 42 - HB ILE 56 lone 2 61 - 3 - Peak 2568 from cnoeabs.peaks (8.93, 1.76, 38.18 ppm; 5.65 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 57 + HB ILE 56 OK 100 100 - 100 - 4.4=100 H VAL 5 + HB ILE 56 OK 69 90 - 78 - 2584/2.9=17, 2576/2.1=17...(12) Peak 2569 from cnoeabs.peaks (9.19, 0.60, 16.63 ppm; 4.25 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 56 + QG2 ILE 56 OK 100 100 - 100 - 4.0=100 H THR 84 - QG2 ILE 56 OK 40 87 - 46 - 2561/2.1=10, 4.0/9327=9...(11) H GLU 35 - QG2 ILE 56 OK 16 81 - 19 - 4.2/9326=4, 2585/3.2=3...(7) Peak 2570 from cnoeabs.peaks (4.88, 0.60, 16.63 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 56 + QG2 ILE 56 OK 100 100 - 100 - 3.2=100 HA THR 31 - QG2 ILE 56 OK 39 94 - 42 - 2586/3.2=6, 2578/3.2=6...(15) Peak 2571 from cnoeabs.peaks (1.76, 0.60, 16.63 ppm; 3.17 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 56 + QG2 ILE 56 OK 100 100 - 100 - 2.1=100 HB3 LYS 82 - QG2 ILE 56 OK 44 100 - 44 - 1.8/9325=6, 3.0/9305=6...(19) HB VAL 78 - QG2 ILE 56 OK 20 70 - 29 - 4.4/9309=5, 2.1/2574=2...(13) HG3 ARG 19 - QG2 ILE 56 OK 19 100 - 19 - ~813=2, 3.0/10673=2...(9) HB2 LYS 66 - QG2 ILE 56 OK 19 100 - 19 - 4.7/9521=3, 2587/3.2=2...(9) HB3 GLU 63 - QG2 ILE 56 OK 11 77 - 14 - 2587/3.2=1, 2579/3.2=1...(5) Peak 2572 from cnoeabs.peaks (0.60, 0.60, 16.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 56 + QG2 ILE 56 OK 100 100 - 100 Peak 2573 from cnoeabs.peaks (1.53, 0.60, 16.63 ppm; 3.59 A): 3 out of 10 assignments used, quality = 1.00: * HG12 ILE 56 + QG2 ILE 56 OK 100 100 - 100 - 3.2=100 HG LEU 6 + QG2 ILE 56 OK 70 98 - 72 - 3.0/8236=23, 3.0/8235=22...(17) HB2 LEU 14 + QG2 ILE 56 OK 66 94 - 70 - 3.0/11079=19...(34) HB ILE 7 - QG2 ILE 56 OK 39 94 - 42 - 3.0/9306=6, ~8255=5...(17) HG2 ARG 79 - QG2 ILE 56 OK 37 100 - 37 - 4.7/9309=6, 4.1/9305=5...(14) HG3 ARG 79 - QG2 ILE 56 OK 36 99 - 36 - 4.7/9309=6, 4.1/9305=5...(14) HG3 ARG 30 - QG2 ILE 56 OK 15 100 - 15 - 6933/4.1=1, 205/8236=1...(4) HG LEU 2 - QG2 ILE 56 OK 14 73 - 19 - 4.7/9309=3, 3.0/9325=3 HB3 LEU 103 - QG2 ILE 56 OK 11 96 - 11 - 3.1/10674=3 HG2 LYS 33 - QG2 ILE 56 lone 7 70 - 10 - 4.9/9311=4 Peak 2574 from cnoeabs.peaks (0.71, 0.60, 16.63 ppm; 2.47 A): 4 out of 8 assignments used, quality = 0.94: * HG13 ILE 56 + QG2 ILE 56 OK 66 100 - 66 - 3.2=47, 2.1/2596=15...(12) QD1 ILE 56 + QG2 ILE 56 OK 63 97 - 64 - 3.0=54, 2566/2.1=5...(9) QD2 LEU 14 + QG2 ILE 56 OK 34 98 - 35 - 2.1/11079=7...(12) QD1 ILE 8 + QG2 ILE 56 OK 32 99 - 33 - 8313=10, 3.2/10383=6...(9) QG1 VAL 58 - QG2 ILE 56 OK 20 98 - 20 - 10223/9734=4...(5) QG1 VAL 5 - QG2 ILE 56 OK 18 87 - 21 - 4.1/9311=4, 4.0/2576=3...(8) QG2 VAL 78 - QG2 ILE 56 OK 16 97 - 16 - 4.3/9309=3, 2.1/2571=2...(4) QD2 LEU 27 - QG2 ILE 56 lone 3 77 - 4 - Peak 2575 from cnoeabs.peaks (0.71, 0.60, 16.63 ppm; 2.50 A): 4 out of 9 assignments used, quality = 0.95: * QD1 ILE 56 + QG2 ILE 56 OK 66 100 - 66 - 3.0=56, 2567/2.1=5...(9) HG13 ILE 56 + QG2 ILE 56 OK 65 97 - 67 - 3.2=48, 2.1/2596=16...(11) QD2 LEU 14 + QG2 ILE 56 OK 36 100 - 36 - 2.1/11079=8...(12) QD1 ILE 8 + QG2 ILE 56 OK 34 100 - 34 - 8313=11, 3.2/10383=6...(9) QG1 VAL 58 - QG2 ILE 56 OK 14 84 - 17 - 10223/9734=3...(4) QG1 VAL 5 - QG2 ILE 56 OK 12 61 - 19 - 4.1/9311=4, 4.0/2576=3...(7) QG2 VAL 78 - QG2 ILE 56 OK 12 81 - 15 - 4.3/9309=3, 2.1/2571=2...(4) QD1 ILE 52 - QG2 ILE 56 lone 6 84 - 7 - 4.1/9155=3 QD1 LEU 42 - QG2 ILE 56 lone 1 61 - 2 - Peak 2576 from cnoeabs.peaks (8.93, 0.60, 16.63 ppm; 3.57 A): 2 out of 2 assignments used, quality = 0.94: * H LEU 57 + QG2 ILE 56 OK 90 100 - 90 - 4.1=65, 6930/3.2=26...(17) H VAL 5 + QG2 ILE 56 OK 46 90 - 52 - 4.7/9311=9, 2560/3.2=9...(15) Peak 2577 from cnoeabs.peaks (9.19, 1.53, 27.60 ppm; 4.57 A): 1 out of 3 assignments used, quality = 0.96: * H ILE 56 + HG12 ILE 56 OK 96 100 - 96 - 4.9=80, 2561/2.9=27...(19) H THR 84 - HG12 ILE 56 OK 38 87 - 44 - 2561/2.9=9, 2585/1.8=9...(10) H GLU 35 - HG12 ILE 56 OK 16 81 - 19 - 2585/1.8=5, 2569/3.2=3...(6) Peak 2578 from cnoeabs.peaks (4.88, 1.53, 27.60 ppm; 4.45 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 3.9=100 HA THR 31 + HG12 ILE 56 OK 49 94 - 52 - 2586/1.8=13, 2570/3.2=11...(12) Peak 2579 from cnoeabs.peaks (1.76, 1.53, 27.60 ppm; 3.92 A): 2 out of 6 assignments used, quality = 1.00: * HB ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 2.9=100 HB3 LYS 82 + HG12 ILE 56 OK 53 100 - 54 - 2587/1.8=8, 2571/3.2=7...(16) HB VAL 78 - HG12 ILE 56 OK 24 70 - 35 - 2587/1.8=4, 2571/3.2=3...(16) HG3 ARG 19 - HG12 ILE 56 OK 24 100 - 23 - 2587/1.8=4, 2571/3.2=3...(11) HB2 LYS 66 - HG12 ILE 56 OK 21 100 - 21 - 2587/1.8=4, 2571/3.2=3...(8) HB3 GLU 63 - HG12 ILE 56 OK 15 77 - 20 - 2587/1.8=3, ~8308=2...(9) Peak 2580 from cnoeabs.peaks (0.60, 1.53, 27.60 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 3.2=100 Peak 2581 from cnoeabs.peaks (1.53, 1.53, 27.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 56 + HG12 ILE 56 OK 100 100 - 100 Peak 2582 from cnoeabs.peaks (0.71, 1.53, 27.60 ppm; 2.78 A): 3 out of 8 assignments used, quality = 1.00: * HG13 ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 1.8=100 QD1 ILE 56 + HG12 ILE 56 OK 97 97 - 100 - 2.1=100 QD2 LEU 14 + HG12 ILE 56 OK 45 98 - 46 - ~11079=6, 628=5...(23) QD1 ILE 8 - HG12 ILE 56 OK 36 99 - 36 - 8313/3.2=6, ~10383=4...(17) QG1 VAL 5 - HG12 ILE 56 OK 19 87 - 21 - 4.0/2584=3, 10196=2...(10) QG2 VAL 78 - HG12 ILE 56 OK 17 97 - 18 - 2.1/2579=2, 3486/2.9=2...(10) QG1 VAL 58 - HG12 ILE 56 OK 16 98 - 17 - ~8307=2, 10225/2.9=2...(7) QD2 LEU 27 - HG12 ILE 56 lone 6 77 - 8 - 4.0/9317=2 Peak 2583 from cnoeabs.peaks (0.71, 1.53, 27.60 ppm; 2.85 A): 3 out of 9 assignments used, quality = 1.00: * QD1 ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 2.1=100 HG13 ILE 56 + HG12 ILE 56 OK 97 97 - 100 - 1.8=100 QD2 LEU 14 + HG12 ILE 56 OK 49 100 - 49 - ~11079=6, 628=6...(25) QD1 ILE 8 - HG12 ILE 56 OK 39 100 - 39 - 8313/3.2=7, ~10383=4...(17) QG2 VAL 78 - HG12 ILE 56 OK 14 81 - 18 - 2.1/2579=2, ~3481=2...(9) QG1 VAL 58 - HG12 ILE 56 OK 13 84 - 16 - ~8307=2, 2574/3.2=2...(7) QG1 VAL 5 - HG12 ILE 56 OK 13 61 - 21 - 4.0/2584=3, ~9328=2...(11) QD1 ILE 52 - HG12 ILE 56 lone 5 84 - 6 - QD1 LEU 42 - HG12 ILE 56 lone 2 61 - 3 - Peak 2584 from cnoeabs.peaks (8.93, 1.53, 27.60 ppm; 4.86 A): 2 out of 2 assignments used, quality = 0.96: * H LEU 57 + HG12 ILE 56 OK 90 100 - 90 - 6932/3.2=44, 6930/3.9=34...(14) H VAL 5 + HG12 ILE 56 OK 63 90 - 71 - 2592/1.8=16, 2576/3.2=14...(15) Peak 2585 from cnoeabs.peaks (9.19, 0.71, 27.60 ppm; 4.76 A): 1 out of 3 assignments used, quality = 0.98: * H ILE 56 + HG13 ILE 56 OK 98 100 - 98 - 4.9=91, 2561/2.9=28...(20) H THR 84 - HG13 ILE 56 OK 39 87 - 45 - 2577/1.8=11, 2561/2.9=10...(10) H GLU 35 - HG13 ILE 56 OK 19 81 - 23 - 2577/1.8=4, 4.6/8751=4...(7) Peak 2586 from cnoeabs.peaks (4.88, 0.71, 27.60 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 3.9=100 HA THR 31 + HG13 ILE 56 OK 47 94 - 50 - 2578/1.8=12, 2570/3.2=10...(13) Peak 2587 from cnoeabs.peaks (1.76, 0.71, 27.60 ppm; 4.04 A): 2 out of 6 assignments used, quality = 1.00: * HB ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 2.9=100 HB3 LYS 82 + HG13 ILE 56 OK 56 100 - 57 - 2579/1.8=9, 2571/3.2=7...(16) HB VAL 78 - HG13 ILE 56 OK 32 70 - 46 - 3.0/3475=5, 2579/1.8=4...(22) HB2 LYS 66 - HG13 ILE 56 OK 31 100 - 31 - 4.7/9520=5, 2579/1.8=3...(12) HG3 ARG 19 - HG13 ILE 56 OK 26 100 - 26 - 2579/1.8=4, 2571/3.2=3...(11) HB3 GLU 63 - HG13 ILE 56 OK 20 77 - 26 - 2579/1.8=3, ~8308=3...(12) Peak 2588 from cnoeabs.peaks (0.60, 0.71, 27.60 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 3.2=100 Peak 2589 from cnoeabs.peaks (1.53, 0.71, 27.60 ppm; 3.20 A): 3 out of 10 assignments used, quality = 1.00: * HG12 ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 1.8=100 HB2 LEU 14 + HG13 ILE 56 OK 61 94 - 65 - ~11079=6, 3.0/10677=6...(34) HG LEU 6 + HG13 ILE 56 OK 45 98 - 46 - ~8236=7, ~8235=7...(15) HB ILE 7 - HG13 ILE 56 OK 34 94 - 36 - 8254/3.9=3, 3.2/10272=3...(20) HG2 ARG 79 - HG13 ILE 56 OK 23 100 - 23 - 4.7/7286=2, 3.0/10908=2...(15) HG3 ARG 79 - HG13 ILE 56 OK 23 99 - 23 - 4.7/7286=2, 3.0/10908=2...(15) HG3 ARG 30 - HG13 ILE 56 lone 10 100 - 10 - HG LEU 2 - HG13 ILE 56 poor 8 73 - 11 - HG2 LYS 33 - HG13 ILE 56 lone 7 70 - 10 - 4.9/9313=3, 4.9/8751=1 HB3 LEU 103 - HG13 ILE 56 lone 6 96 - 6 - Peak 2590 from cnoeabs.peaks (0.71, 0.71, 27.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 56 + HG13 ILE 56 OK 100 100 - 100 Peak 2591 from cnoeabs.peaks (0.71, 0.71, 27.60 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: HG13 ILE 56 + HG13 ILE 56 OK 97 97 - 100 Reference assignment not found: QD1 ILE 56 - HG13 ILE 56 Peak 2592 from cnoeabs.peaks (8.93, 0.71, 27.60 ppm; 5.11 A): 2 out of 2 assignments used, quality = 0.98: * H LEU 57 + HG13 ILE 56 OK 94 100 - 94 - 6932/3.2=46, 6930/3.9=36...(21) H VAL 5 + HG13 ILE 56 OK 68 90 - 76 - 2584/1.8=18, 2576/3.2=15...(18) Peak 2593 from cnoeabs.peaks (9.19, 0.71, 13.82 ppm; 4.52 A): 2 out of 6 assignments used, quality = 0.97: * H ILE 56 + QD1 ILE 56 OK 94 100 - 94 - 5.0=73, 4.0/2596=26...(13) H THR 84 + QD1 ILE 56 OK 43 87 - 49 - 2577/2.1=9, 2561/3.2=9...(10) H ILE 56 - QD1 ILE 8 OK 37 96 - 39 - 4.0/2596=11, 3.0/2594=7...(6) H GLU 35 - QD1 ILE 56 OK 16 81 - 20 - 2585/2.1=4, 2577/2.1=4...(5) H THR 84 - QD1 ILE 8 poor 8 80 - 11 - 4.0/9806=2, 4.0/10682=2 H GLU 35 - QD1 ILE 8 poor 8 74 - 11 - 6547/4.1=1, 4.0/12202=1...(4) Peak 2594 from cnoeabs.peaks (4.88, 0.71, 13.82 ppm; 4.70 A): 3 out of 4 assignments used, quality = 1.00: * HA ILE 56 + QD1 ILE 56 OK 100 100 - 100 - 4.2=100 HA ILE 56 + QD1 ILE 8 OK 57 96 - 59 - ~10383=15, 3.2/2596=14...(10) HA THR 31 + QD1 ILE 56 OK 53 94 - 56 - 2586/2.1=13, 2578/2.1=13...(12) HA THR 31 - QD1 ILE 8 OK 31 88 - 36 - 3.6/10514=8, ~8734=6...(12) Peak 2595 from cnoeabs.peaks (1.76, 0.71, 13.82 ppm; 3.32 A): 2 out of 12 assignments used, quality = 1.00: * HB ILE 56 + QD1 ILE 56 OK 100 100 - 100 - 3.2=100 HB ILE 56 + QD1 ILE 8 OK 50 96 - 52 - 2.1/2596=11, ~10383=9...(18) HB3 LYS 82 - QD1 ILE 56 OK 42 100 - 42 - 2579/2.1=6, 2571/3.0=5...(17) HG3 ARG 19 - QD1 ILE 8 OK 28 95 - 30 - 8519/3.0=5, 819/3.2=3...(13) HB2 LYS 66 - QD1 ILE 56 OK 23 100 - 23 - 2587/2.1=3, 3.0/9512=3...(9) HB VAL 78 - QD1 ILE 56 OK 21 70 - 31 - 2587/2.1=3, 2579/2.1=3...(17) HG3 ARG 19 - QD1 ILE 56 OK 19 100 - 19 - 2579/2.1=3, 2571/3.0=2...(6) HB2 LYS 66 - QD1 ILE 8 OK 16 95 - 16 - 3.0/9512=3, 9515=1...(7) HB3 GLU 63 - QD1 ILE 56 OK 15 77 - 19 - 3.0/9460=2, 2587/2.1=2...(6) HB3 GLU 63 - QD1 ILE 8 OK 14 70 - 21 - ~10744=3, 1.8/8308=2...(8) HB VAL 78 - QD1 ILE 8 poor 7 63 - 11 - 10349/3.2=1 HB3 LYS 82 - QD1 ILE 8 lone 7 96 - 7 - Peak 2596 from cnoeabs.peaks (0.60, 0.71, 13.82 ppm; 2.88 A): 2 out of 2 assignments used, quality = 0.95: * QG2 ILE 56 + QD1 ILE 56 OK 91 100 - 91 - 3.0=86, 2574/2.1=9...(12) QG2 ILE 56 + QD1 ILE 8 OK 39 96 - 41 - 10383/3.2=9, 2575=7...(14) Peak 2597 from cnoeabs.peaks (1.53, 0.71, 13.82 ppm; 3.14 A): 5 out of 20 assignments used, quality = 1.00: * HG12 ILE 56 + QD1 ILE 56 OK 100 100 - 100 - 2.1=100 HB2 LEU 14 + QD1 ILE 56 OK 59 94 - 63 - ~11079=6, 2589/2.1=6...(32) HB ILE 7 + QD1 ILE 8 OK 52 88 - 60 - 3.2/10272=5, 2.1/324=5...(28) HB2 LEU 14 + QD1 ILE 8 OK 46 88 - 52 - 1.8/608=5, 600=4...(29) HG12 ILE 56 + QD1 ILE 8 OK 46 96 - 47 - 3.2/2596=8, 2583=6...(19) HG LEU 6 - QD1 ILE 56 OK 42 98 - 43 - ~8236=7, ~8235=7...(16) HB ILE 7 - QD1 ILE 56 OK 32 94 - 34 - 2589/2.1=3, 8254/4.2=3...(17) HG2 ARG 79 - QD1 ILE 56 OK 21 100 - 21 - 2589/2.1=2, 2573/3.0=2...(11) HG3 ARG 79 - QD1 ILE 56 OK 20 99 - 21 - 2589/2.1=2, 2573/3.0=2...(11) HG3 ARG 30 - QD1 ILE 8 OK 13 96 - 14 - 1350/2.1=2, ~1341=2...(5) HG LEU 2 - QD1 ILE 8 OK 11 67 - 16 - 2.1/326=2, 3.0/12275=2...(8) HG3 ARG 30 - QD1 ILE 56 lone 9 100 - 9 - HG LEU 2 - QD1 ILE 56 poor 9 73 - 12 - 3.0/10681=1, 3.0/12275=1 HG LEU 6 - QD1 ILE 8 lone 8 93 - 9 - 6088/5.0=1 HB3 LEU 103 - QD1 ILE 56 lone 5 96 - 6 - HG2 LYS 33 - QD1 ILE 56 lone 4 70 - 6 - 4.9/9314=2 HG2 ARG 79 - QD1 ILE 8 lone 3 95 - 3 - HG3 ARG 79 - QD1 ILE 8 lone 3 95 - 3 - HB3 LEU 103 - QD1 ILE 8 lone 1 90 - 1 - HG2 LYS 33 - QD1 ILE 8 lone 1 63 - 2 - 4.9/9314=1 Peak 2598 from cnoeabs.peaks (0.71, 0.71, 13.82 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 56 + QD1 ILE 56 OK 97 97 - 100 QD1 ILE 8 + QD1 ILE 8 OK 94 94 - 100 Reference assignment not found: HG13 ILE 56 - QD1 ILE 56 Peak 2599 from cnoeabs.peaks (0.71, 0.71, 13.82 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 56 + QD1 ILE 56 OK 100 100 - 100 QD1 ILE 8 + QD1 ILE 8 OK 96 96 - 100 Peak 2600 from cnoeabs.peaks (8.93, 0.71, 13.82 ppm; 4.89 A): 3 out of 4 assignments used, quality = 0.99: * H LEU 57 + QD1 ILE 56 OK 92 100 - 92 - 6932/3.0=45, 6930/4.2=33...(18) H LEU 57 + QD1 ILE 8 OK 68 96 - 71 - 10693/2.1=18...(20) H VAL 5 + QD1 ILE 56 OK 63 90 - 70 - 2584/2.1=16, 2592/2.1=15...(14) H VAL 5 - QD1 ILE 8 OK 23 83 - 28 - 8292/5.0=9, 4.7/9314=3...(5) Peak 2601 from cnoeabs.peaks (8.93, 5.39, 52.09 ppm; 4.27 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 57 + HA LEU 57 OK 100 100 - 100 - 3.0=100 H VAL 5 + HA LEU 57 OK 58 90 - 65 - 2617/2.9=12, 2609/2.9=12...(16) Peak 2602 from cnoeabs.peaks (5.39, 5.39, 52.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 57 + HA LEU 57 OK 100 100 - 100 Peak 2603 from cnoeabs.peaks (1.20, 5.39, 52.09 ppm; 3.96 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 57 + HA LEU 57 OK 100 100 - 100 - 2.9=100 HB2 LEU 6 + HA LEU 57 OK 47 73 - 64 - 6937/3.0=11, 2619/2.9=9...(19) Peak 2604 from cnoeabs.peaks (1.82, 5.39, 52.09 ppm; 4.31 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LEU 57 + HA LEU 57 OK 100 100 - 100 - 2.9=100 HG2 ARG 46 - HA LEU 57 OK 34 100 - 35 - 2612/2.9=6, 2636/4.0=5...(12) HB3 LYS 90 - HA LEU 57 OK 27 92 - 29 - 2612/2.9=4, 6938/3.0=3...(13) HB2 LYS 90 - HA LEU 57 OK 26 87 - 29 - 2612/2.9=4, 6938/3.0=3...(13) HB2 GLU 88 - HA LEU 57 OK 16 77 - 21 - 2612/2.9=2, 6938/3.0=2...(10) HB2 LYS 68 - HA LEU 57 OK 14 81 - 17 - 2644/4.0=2, 2612/2.9=2...(8) HB2 GLU 104 - HA LEU 57 OK 10 77 - 13 - 3.0/9361=2, 2612/2.9=1...(5) HB2 LEU 42 - HA LEU 57 poor 7 70 - 11 - 6947/3.6=1, 8287/9350=1...(4) HB2 LYS 53 - HA LEU 57 lone 5 70 - 7 - 9190/9351=1, 6938/3.0=1 Peak 2605 from cnoeabs.peaks (1.50, 5.39, 52.09 ppm; 4.39 A): 2 out of 11 assignments used, quality = 1.00: * HG LEU 57 + HA LEU 57 OK 100 100 - 100 - 4.3=100 HG LEU 2 + HA LEU 57 OK 52 81 - 64 - 2.1/8048=38, 6939/3.0=6...(15) HG3 LYS 66 - HA LEU 57 OK 27 96 - 29 - 2621/2.9=4, 2613/2.9=4...(10) HG2 LYS 66 - HA LEU 57 OK 26 92 - 28 - 2621/2.9=4, 2613/2.9=4...(10) HB3 LEU 64 - HA LEU 57 OK 23 90 - 26 - 6948/3.6=5, 9477/10705=4...(12) HG3 LYS 13 - HA LEU 57 OK 12 99 - 12 - ~12134=2, 2621/2.9=2...(6) HB2 ARG 91 - HA LEU 57 poor 8 77 - 11 - 2621/2.9=2, 2637/4.0=2...(5) HG3 LYS 33 - HA LEU 57 lone 7 100 - 7 - 6939/3.0=1 HG2 LYS 73 - HA LEU 57 lone 6 94 - 6 - 2637/4.0=1 HG3 LYS 24 - HA LEU 57 lone 6 97 - 6 - HG2 LYS 47 - HA LEU 57 lone 5 92 - 6 - Peak 2606 from cnoeabs.peaks (0.80, 5.39, 52.09 ppm; 3.35 A): 2 out of 9 assignments used, quality = 0.97: * QD2 LEU 57 + HA LEU 57 OK 87 100 - 87 - 4.0=58, 2.1/2642=36...(14) QG2 ILE 7 + HA LEU 57 OK 75 100 - 75 - 3.0/9350=15, 8245/3.0=10...(27) QD2 LEU 2 - HA LEU 57 OK 33 84 - 40 - 8048=17, 2.1/2605=4...(13) QG2 ILE 8 - HA LEU 57 OK 28 94 - 30 - 6949/3.6=5, 6940/3.0=3...(14) QD2 LEU 70 - HA LEU 57 OK 16 87 - 18 - 2.1/2607=3, 2614/2.9=2...(11) QD1 ILE 76 - HA LEU 57 OK 13 99 - 13 - 10283/2.9=2, 2614/2.9=2...(5) QD1 LEU 70 - HA LEU 57 poor 7 57 - 12 - 2.1/2607=1, ~10693=1 QG2 ILE 52 - HA LEU 57 lone 4 70 - 6 - 10202/3.6=1 QG2 ILE 15 - HA LEU 57 lone 4 81 - 4 - 276/9350=1 Peak 2607 from cnoeabs.peaks (0.83, 5.39, 52.09 ppm; 3.31 A): 4 out of 8 assignments used, quality = 0.91: * QD1 LEU 57 + HA LEU 57 OK 82 100 - 82 - 4.0=56, 2648/3.6=12...(16) QG2 VAL 32 + HA LEU 57 OK 24 99 - 25 - 10165/4.9=5, 6941/3.0=5...(8) QD2 LEU 2 + HA LEU 57 OK 19 61 - 31 - 8048=9, 2.1/2605=4...(13) QD1 LEU 70 + HA LEU 57 OK 18 87 - 20 - 2615/2.9=3, 2623/2.9=3...(8) QD2 LEU 103 - HA LEU 57 lone 10 100 - 9 - 6941/3.0=2, 2615/2.9=1...(4) QD2 LEU 38 - HA LEU 57 lone 9 99 - 9 - 2623/2.9=1, 2615/2.9=1...(4) QD2 LEU 70 - HA LEU 57 poor 8 57 - 13 - ~2615=1, ~2623=1...(7) QG2 ILE 15 - HA LEU 57 lone 2 65 - 3 - Peak 2608 from cnoeabs.peaks (8.54, 5.39, 52.09 ppm; 3.13 A): 3 out of 4 assignments used, quality = 0.91: * H VAL 58 + HA LEU 57 OK 87 100 - 87 - 3.6=67, 6946/2.9=14...(15) H ASN 51 + HA LEU 57 OK 17 96 - 17 - 2616/2.9=3, 2648/4.0=3...(6) H GLN 50 + HA LEU 57 OK 17 98 - 17 - 2616/2.9=3, 2648/4.0=3...(7) H LYS 12 - HA LEU 57 lone 1 57 - 2 - Peak 2609 from cnoeabs.peaks (8.93, 1.20, 42.45 ppm; 4.34 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 57 + HB2 LEU 57 OK 100 100 - 100 - 3.9=100 H VAL 5 + HB2 LEU 57 OK 66 90 - 74 - 2617/1.8=16, 2601/2.9=12...(20) Peak 2610 from cnoeabs.peaks (5.39, 1.20, 42.45 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 57 + HB2 LEU 57 OK 100 100 - 100 - 2.9=100 Peak 2611 from cnoeabs.peaks (1.20, 1.20, 42.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 57 + HB2 LEU 57 OK 100 100 - 100 Peak 2612 from cnoeabs.peaks (1.82, 1.20, 42.45 ppm; 3.30 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LEU 57 + HB2 LEU 57 OK 100 100 - 100 - 1.8=100 HG2 ARG 46 - HB2 LEU 57 OK 31 100 - 31 - 2636/3.1=4, 2644/3.1=4...(16) HB3 LYS 90 - HB2 LEU 57 OK 21 92 - 23 - 2636/3.1=2, 2644/3.1=2...(13) HB2 LYS 90 - HB2 LEU 57 OK 21 87 - 24 - 3927/1.8=3, 2636/3.1=2...(13) HB2 GLU 88 - HB2 LEU 57 OK 11 77 - 15 - 2636/3.1=2, 2644/3.1=2...(4) HB2 LYS 68 - HB2 LEU 57 OK 11 81 - 13 - 2644/3.1=2, 2636/3.1=1...(4) HB2 GLU 104 - HB2 LEU 57 lone 7 77 - 8 - HB2 LEU 42 - HB2 LEU 57 lone 5 70 - 8 - HB2 LYS 53 - HB2 LEU 57 lone 4 70 - 5 - Peak 2613 from cnoeabs.peaks (1.50, 1.20, 42.45 ppm; 4.12 A): 2 out of 11 assignments used, quality = 1.00: * HG LEU 57 + HB2 LEU 57 OK 100 100 - 100 - 3.0=100 HG LEU 2 + HB2 LEU 57 OK 50 81 - 62 - ~8048=18, 2621/1.8=7...(25) HG3 LYS 66 - HB2 LEU 57 OK 36 96 - 37 - 2621/1.8=5, 2637/3.1=4...(15) HG2 LYS 66 - HB2 LEU 57 OK 34 92 - 37 - 2621/1.8=5, 2637/3.1=4...(15) HB3 LEU 64 - HB2 LEU 57 OK 21 90 - 24 - 6948/4.6=3, 10761/9819=3...(12) HB2 ARG 91 - HB2 LEU 57 OK 13 77 - 17 - ~10698=2, ~10697=2...(5) HG3 LYS 13 - HB2 LEU 57 OK 13 99 - 13 - ~12134=2, 2621/1.8=2...(6) HG3 LYS 33 - HB2 LEU 57 lone 8 100 - 7 - 2645/3.1=1, 2621/1.8=1 HG2 LYS 73 - HB2 LEU 57 lone 7 94 - 7 - 2637/3.1=1 HG3 LYS 24 - HB2 LEU 57 lone 6 97 - 6 - HG2 LYS 47 - HB2 LEU 57 lone 6 92 - 6 - Peak 2614 from cnoeabs.peaks (0.80, 1.20, 42.45 ppm; 3.37 A): 2 out of 9 assignments used, quality = 1.00: * QD2 LEU 57 + HB2 LEU 57 OK 100 100 - 100 - 3.1=100 QG2 ILE 7 + HB2 LEU 57 OK 81 100 - 81 - 3.0/8271=18, 3.0/9353=9...(29) QD2 LEU 2 - HB2 LEU 57 OK 36 84 - 44 - 8048/2.9=14, 2622/1.8=4...(15) QG2 ILE 8 - HB2 LEU 57 OK 36 94 - 38 - 4.0/8288=8, 2622/1.8=4...(16) QD2 LEU 70 - HB2 LEU 57 OK 20 87 - 23 - 2.1/2615=3, 2622/1.8=2...(9) QD1 ILE 76 - HB2 LEU 57 OK 19 99 - 19 - 10283/1.8=3, ~12134=2...(8) QD1 LEU 70 - HB2 LEU 57 poor 9 57 - 16 - 2.1/2615=2, ~2622=1...(4) QG2 ILE 52 - HB2 LEU 57 lone 6 70 - 9 - QG2 ILE 15 - HB2 LEU 57 lone 6 81 - 7 - Peak 2615 from cnoeabs.peaks (0.83, 1.20, 42.45 ppm; 3.54 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 57 + HB2 LEU 57 OK 100 100 - 100 - 3.1=100 QG2 VAL 32 - HB2 LEU 57 OK 31 99 - 32 - 2623/1.8=5, 2607/2.9=4...(14) QD2 LEU 2 - HB2 LEU 57 OK 24 61 - 39 - 8048/2.9=9, 2.1/2613=4...(16) QD1 LEU 70 - HB2 LEU 57 OK 23 87 - 27 - 2623/1.8=4, 2607/2.9=3...(10) QD2 LEU 103 - HB2 LEU 57 OK 12 100 - 12 - 2623/1.8=2, 2607/2.9=2...(5) QD2 LEU 38 - HB2 LEU 57 OK 11 99 - 11 - 2623/1.8=2, 2607/2.9=2...(5) QD2 LEU 70 - HB2 LEU 57 OK 11 57 - 20 - ~2623=2, 2623/1.8=2...(10) QG2 ILE 15 - HB2 LEU 57 lone 3 65 - 5 - Peak 2616 from cnoeabs.peaks (8.54, 1.20, 42.45 ppm; 4.67 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 58 + HB2 LEU 57 OK 100 100 - 100 - 4.6=100 H GLN 50 - HB2 LEU 57 OK 37 98 - 37 - 2624/1.8=8, 2648/3.1=7...(9) H ASN 51 - HB2 LEU 57 OK 36 96 - 38 - 2624/1.8=8, 2648/3.1=7...(10) H LYS 12 - HB2 LEU 57 lone 3 57 - 5 - Peak 2617 from cnoeabs.peaks (8.93, 1.82, 42.45 ppm; 4.21 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 57 + HB3 LEU 57 OK 100 100 - 100 - 3.9=100 H VAL 5 + HB3 LEU 57 OK 62 90 - 70 - 2609/1.8=15, 2601/2.9=11...(20) Peak 2618 from cnoeabs.peaks (5.39, 1.82, 42.45 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 57 + HB3 LEU 57 OK 100 100 - 100 - 2.9=100 Peak 2619 from cnoeabs.peaks (1.20, 1.82, 42.45 ppm; 3.34 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 57 + HB3 LEU 57 OK 100 100 - 100 - 1.8=100 HB2 LEU 6 - HB3 LEU 57 OK 36 73 - 49 - 2603/2.9=7, 2643/3.1=6...(16) Peak 2620 from cnoeabs.peaks (1.82, 1.82, 42.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 57 + HB3 LEU 57 OK 100 100 - 100 Peak 2621 from cnoeabs.peaks (1.50, 1.82, 42.45 ppm; 4.02 A): 2 out of 11 assignments used, quality = 1.00: * HG LEU 57 + HB3 LEU 57 OK 100 100 - 100 - 3.0=100 HG LEU 2 + HB3 LEU 57 OK 49 81 - 61 - ~8048=17, 2613/1.8=6...(25) HG3 LYS 66 - HB3 LEU 57 OK 35 96 - 37 - 2613/1.8=4, 2637/3.1=4...(16) HG2 LYS 66 - HB3 LEU 57 OK 34 92 - 37 - 2613/1.8=4, 2637/3.1=4...(16) HB3 LEU 64 - HB3 LEU 57 OK 18 90 - 20 - 6948/4.6=3, 2613/1.8=3...(10) HB2 ARG 91 - HB3 LEU 57 OK 14 77 - 18 - ~10698=2, 3.9/7434=2...(6) HG3 LYS 13 - HB3 LEU 57 OK 13 99 - 13 - 1.8/12134=3, 2613/1.8=2...(6) HG3 LYS 33 - HB3 LEU 57 lone 7 100 - 7 - 2645/3.1=1 HG2 LYS 73 - HB3 LEU 57 lone 7 94 - 7 - 2637/3.1=1 HG2 LYS 47 - HB3 LEU 57 lone 7 92 - 7 - 4.9/6765=1 HG3 LYS 24 - HB3 LEU 57 lone 7 97 - 6 - Peak 2622 from cnoeabs.peaks (0.80, 1.82, 42.45 ppm; 3.44 A): 2 out of 9 assignments used, quality = 1.00: * QD2 LEU 57 + HB3 LEU 57 OK 100 100 - 100 - 3.1=100 QG2 ILE 7 + HB3 LEU 57 OK 80 100 - 80 - ~8271=13, 3.0/8272=12...(28) QD2 LEU 2 - HB3 LEU 57 OK 38 84 - 46 - 8048/2.9=14, 2.1/2621=4...(16) QG2 ILE 8 - HB3 LEU 57 OK 36 94 - 39 - 4.0/8289=9, 2614/1.8=4...(14) QD1 ILE 76 - HB3 LEU 57 OK 23 99 - 23 - 10283=3, 2.1/12134=2...(7) QD2 LEU 70 - HB3 LEU 57 OK 21 87 - 24 - 2.1/2623=3, 2614/1.8=2...(11) QD1 LEU 70 - HB3 LEU 57 poor 10 57 - 17 - 2.1/2623=2, ~2614=1...(5) QG2 ILE 15 - HB3 LEU 57 lone 7 81 - 8 - QG2 ILE 52 - HB3 LEU 57 lone 7 70 - 9 - Peak 2623 from cnoeabs.peaks (0.83, 1.82, 42.45 ppm; 3.63 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 57 + HB3 LEU 57 OK 100 100 - 100 - 3.1=100 QG2 VAL 32 - HB3 LEU 57 OK 33 99 - 34 - 2615/1.8=5, 2607/2.9=4...(13) QD2 LEU 2 - HB3 LEU 57 OK 26 61 - 42 - 8048/2.9=9, 2.1/2621=5...(16) QD1 LEU 70 - HB3 LEU 57 OK 24 87 - 28 - 2615/1.8=4, 2607/2.9=3...(11) QD2 LEU 38 - HB3 LEU 57 OK 13 99 - 13 - 2615/1.8=2, 2607/2.9=2...(6) QD2 LEU 103 - HB3 LEU 57 OK 12 100 - 12 - 2615/1.8=2, 2607/2.9=2...(5) QD2 LEU 70 - HB3 LEU 57 OK 12 57 - 21 - ~2615=2, 2615/1.8=2...(10) QG2 ILE 15 - HB3 LEU 57 lone 4 65 - 5 - Peak 2624 from cnoeabs.peaks (8.54, 1.82, 42.45 ppm; 4.91 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 58 + HB3 LEU 57 OK 100 100 - 100 - 4.6=100 H GLN 50 - HB3 LEU 57 OK 37 98 - 37 - 2616/1.8=9, 2648/3.1=7...(7) H ASN 51 - HB3 LEU 57 OK 36 96 - 38 - 2616/1.8=9, 2648/3.1=7...(7) H LYS 12 - HB3 LEU 57 lone 3 57 - 6 - Peak 2625 from cnoeabs.peaks (8.93, 1.50, 26.28 ppm; 4.47 A): 2 out of 2 assignments used, quality = 0.99: * H LEU 57 + HG LEU 57 OK 96 100 - 96 - 4.9=76, ~2642=26...(14) H VAL 5 + HG LEU 57 OK 62 90 - 69 - 2641/2.1=15, 2633/2.1=14...(13) Peak 2626 from cnoeabs.peaks (5.39, 1.50, 26.28 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 57 + HG LEU 57 OK 100 100 - 100 - 4.3=100 Peak 2627 from cnoeabs.peaks (1.20, 1.50, 26.28 ppm; 4.47 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 57 + HG LEU 57 OK 100 100 - 100 - 3.0=100 HB2 LEU 6 + HG LEU 57 OK 46 73 - 63 - 2643/2.1=12, 2635/2.1=12...(15) Peak 2628 from cnoeabs.peaks (1.82, 1.50, 26.28 ppm; 4.37 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LEU 57 + HG LEU 57 OK 100 100 - 100 - 3.0=100 HG2 ARG 46 + HG LEU 57 OK 47 100 - 48 - 2636/2.1=8, 2644/2.1=8...(14) HB3 LYS 90 - HG LEU 57 OK 31 92 - 33 - 2644/2.1=4, 2636/2.1=4...(13) HB2 LYS 90 - HG LEU 57 OK 29 87 - 33 - 2636/2.1=4, 2644/2.1=4...(13) HB2 LYS 68 - HG LEU 57 OK 18 81 - 22 - 2644/2.1=3, 2636/2.1=3...(10) HB2 GLU 88 - HG LEU 57 OK 15 77 - 20 - 2644/2.1=3, 2636/2.1=3...(8) HB2 GLU 104 - HG LEU 57 poor 9 77 - 11 - 2644/2.1=1, 2636/2.1=1...(6) HB2 LEU 42 - HG LEU 57 lone 7 70 - 9 - ~10696=1, 2636/2.1=1, 2612/3.0=1 HB2 LYS 53 - HG LEU 57 lone 5 70 - 7 - Peak 2629 from cnoeabs.peaks (1.50, 1.50, 26.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 57 + HG LEU 57 OK 100 100 - 100 Peak 2630 from cnoeabs.peaks (0.80, 1.50, 26.28 ppm; 3.29 A): 2 out of 9 assignments used, quality = 1.00: * QD2 LEU 57 + HG LEU 57 OK 100 100 - 100 - 2.1=100 QG2 ILE 7 + HG LEU 57 OK 65 100 - 65 - ~8271=8, 2646/2.1=8...(26) QD2 LEU 2 - HG LEU 57 OK 32 84 - 39 - 8048/4.3=9, 2646/2.1=4...(16) QG2 ILE 8 - HG LEU 57 OK 24 94 - 25 - 2614/3.0=3, 2622/3.0=3...(14) QD2 LEU 70 - HG LEU 57 OK 17 87 - 20 - 2.1/10959=2, 2646/2.1=2...(8) QD1 ILE 76 - HG LEU 57 OK 15 99 - 15 - 10283/3.0=2, 2646/2.1=2...(5) QD1 LEU 70 - HG LEU 57 poor 9 57 - 15 - 2.1/10959=2, 2646/2.1=1, ~2646=1 QG2 ILE 52 - HG LEU 57 lone 5 70 - 7 - QG2 ILE 15 - HG LEU 57 lone 4 81 - 5 - Peak 2631 from cnoeabs.peaks (0.83, 1.50, 26.28 ppm; 3.30 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 57 + HG LEU 57 OK 100 100 - 100 - 2.1=100 QG2 VAL 32 - HG LEU 57 OK 28 99 - 29 - 2639/2.1=4, 2615/3.0=3...(12) QD2 LEU 2 - HG LEU 57 OK 20 61 - 33 - 8048/4.3=5, 2639/2.1=3...(16) QD1 LEU 70 - HG LEU 57 OK 19 87 - 22 - 2639/2.1=3, 2615/3.0=3...(7) QD2 LEU 70 - HG LEU 57 poor 10 57 - 17 - 2.1/10959=2, 2639/2.1=2...(7) QD2 LEU 103 - HG LEU 57 lone 9 100 - 9 - 2639/2.1=1, 2615/3.0=1 QD2 LEU 38 - HG LEU 57 lone 9 99 - 9 - 2623/3.0=1, 2639/2.1=1 QG2 ILE 15 - HG LEU 57 lone 3 65 - 4 - Peak 2632 from cnoeabs.peaks (8.54, 1.50, 26.28 ppm; 5.46 A): 2 out of 4 assignments used, quality = 0.97: * H VAL 58 + HG LEU 57 OK 95 100 - 95 - 6945/4.3=45, 6946/3.0=36...(16) H ASN 51 + HG LEU 57 OK 43 96 - 45 - 2648/2.1=9, 2640/2.1=9...(9) H GLN 50 - HG LEU 57 OK 41 98 - 42 - 2648/2.1=9, 2640/2.1=9...(6) H LYS 12 - HG LEU 57 lone 4 57 - 7 - Peak 2633 from cnoeabs.peaks (8.93, 0.80, 25.48 ppm; 4.47 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 57 + QD2 LEU 57 OK 99 100 - 99 - 4.6=93, ~2642=26...(18) H VAL 5 + QD2 LEU 57 OK 64 90 - 72 - 2641/2.1=15, 2625/2.1=14...(16) Peak 2634 from cnoeabs.peaks (5.39, 0.80, 25.48 ppm; 4.97 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 57 + QD2 LEU 57 OK 100 100 - 100 - 4.0=100 Peak 2635 from cnoeabs.peaks (1.20, 0.80, 25.48 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 57 + QD2 LEU 57 OK 100 100 - 100 - 3.1=100 HB2 LEU 6 - QD2 LEU 57 OK 33 73 - 45 - 2643/2.1=8, 2619/3.1=6...(14) Peak 2636 from cnoeabs.peaks (1.82, 0.80, 25.48 ppm; 3.54 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LEU 57 + QD2 LEU 57 OK 100 100 - 100 - 3.1=100 HG2 ARG 46 - QD2 LEU 57 OK 40 100 - 40 - 2644/2.1=6, 3.0/9020=5...(16) HB3 LYS 90 - QD2 LEU 57 OK 22 92 - 24 - 2644/2.1=3, 2612/3.1=3...(10) HB2 LYS 90 - QD2 LEU 57 OK 22 87 - 25 - 2644/2.1=3, 2612/3.1=3...(9) HB2 GLU 88 - QD2 LEU 57 OK 16 77 - 20 - 4.3/9343=4, 2644/2.1=2...(7) HB2 LYS 68 - QD2 LEU 57 OK 14 81 - 17 - 4.6/9535=2, 2644/2.1=2...(6) HB2 GLU 104 - QD2 LEU 57 lone 7 77 - 9 - 2644/2.1=1 HB2 LEU 42 - QD2 LEU 57 lone 6 70 - 9 - 3.1/10696=2 HB2 LYS 53 - QD2 LEU 57 lone 5 70 - 7 - 9190/10213=1 Peak 2637 from cnoeabs.peaks (1.50, 0.80, 25.48 ppm; 3.22 A): 1 out of 11 assignments used, quality = 1.00: * HG LEU 57 + QD2 LEU 57 OK 100 100 - 100 - 2.1=100 HG LEU 2 - QD2 LEU 57 OK 32 81 - 40 - 2645/2.1=4, 2621/3.1=3...(22) HG3 LYS 66 - QD2 LEU 57 OK 29 96 - 31 - 2645/2.1=4, 2.9/12319=3...(14) HG2 LYS 66 - QD2 LEU 57 OK 28 92 - 30 - 2645/2.1=4, 2.9/12319=3...(14) HB2 ARG 91 - QD2 LEU 57 OK 12 77 - 16 - 4.3/9983=4, 3.0/10697=3...(4) HB3 LEU 64 - QD2 LEU 57 OK 11 90 - 13 - 2645/2.1=1, 2613/3.1=1...(4) HG3 LYS 13 - QD2 LEU 57 lone 9 99 - 9 - 10395=1, 2645/2.1=1 HG2 LYS 73 - QD2 LEU 57 lone 8 94 - 8 - HG3 LYS 33 - QD2 LEU 57 lone 5 100 - 5 - HG2 LYS 47 - QD2 LEU 57 lone 5 92 - 5 - HG3 LYS 24 - QD2 LEU 57 lone 4 97 - 4 - Peak 2638 from cnoeabs.peaks (0.80, 0.80, 25.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 57 + QD2 LEU 57 OK 100 100 - 100 Peak 2639 from cnoeabs.peaks (0.83, 0.80, 25.48 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 57 + QD2 LEU 57 OK 100 100 - 100 - 2.1=100 QG2 VAL 32 - QD2 LEU 57 OK 14 99 - 14 - 2631/2.1=2, 2.1/12056=2...(7) QD2 LEU 2 - QD2 LEU 57 OK 11 61 - 18 - 8048/4.0=3, 2.1/2637=2...(8) QD1 LEU 70 - QD2 LEU 57 OK 10 87 - 12 - 2631/2.1=2, 2615/3.1=1 QD2 LEU 70 - QD2 LEU 57 lone 5 57 - 9 - QD2 LEU 103 - QD2 LEU 57 lone 5 100 - 5 - QD2 LEU 38 - QD2 LEU 57 lone 4 99 - 4 - QG2 ILE 15 - QD2 LEU 57 lone 2 65 - 3 - Peak 2640 from cnoeabs.peaks (8.54, 0.80, 25.48 ppm; 5.93 A): 3 out of 4 assignments used, quality = 0.99: * H VAL 58 + QD2 LEU 57 OK 97 100 - 97 - 6945/4.0=49, 6946/3.1=38...(20) H ASN 51 + QD2 LEU 57 OK 53 96 - 55 - 2632/2.1=10, 2616/3.1=9...(12) H GLN 50 + QD2 LEU 57 OK 53 98 - 54 - 9104=11, 2632/2.1=10...(10) H LYS 12 - QD2 LEU 57 lone 5 57 - 9 - 2632/2.1=1 Peak 2641 from cnoeabs.peaks (8.93, 0.83, 23.91 ppm; 4.26 A): 2 out of 2 assignments used, quality = 0.99: * H LEU 57 + QD1 LEU 57 OK 98 100 - 98 - 4.6=80, 3.0/2642=41...(17) H VAL 5 + QD1 LEU 57 OK 60 90 - 67 - 3.0/9346=14, 2633/2.1=13...(16) Peak 2642 from cnoeabs.peaks (5.39, 0.83, 23.91 ppm; 3.10 A): 1 out of 1 assignment used, quality = 0.75: * HA LEU 57 + QD1 LEU 57 OK 75 100 - 75 - 4.0=46, 3.6/2648=10...(14) Peak 2643 from cnoeabs.peaks (1.20, 0.83, 23.91 ppm; 3.37 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 57 + QD1 LEU 57 OK 100 100 - 100 - 3.1=100 HB2 LEU 6 - QD1 LEU 57 OK 35 73 - 47 - 2635/2.1=8, 2619/3.1=7...(16) Peak 2644 from cnoeabs.peaks (1.82, 0.83, 23.91 ppm; 3.70 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LEU 57 + QD1 LEU 57 OK 100 100 - 100 - 3.1=100 HG2 ARG 46 - QD1 LEU 57 OK 43 100 - 43 - 3.0/9358=8, 2636/2.1=6...(16) HB3 LYS 90 - QD1 LEU 57 OK 24 92 - 26 - 2636/2.1=3, 2628/2.1=3...(10) HB2 LYS 90 - QD1 LEU 57 OK 23 87 - 26 - 2636/2.1=3, 2612/3.1=3...(9) HB2 LYS 68 - QD1 LEU 57 OK 18 81 - 22 - 3.5/10263=3, 3.5/10263=3...(7) HB2 GLU 88 - QD1 LEU 57 OK 17 77 - 23 - 4.3/9341=7, 2636/2.1=2...(7) HB2 GLU 104 - QD1 LEU 57 poor 8 77 - 10 - 2636/2.1=1, 4.0/7661=1 HB2 LEU 42 - QD1 LEU 57 lone 5 70 - 8 - 2636/2.1=1 HB2 LYS 53 - QD1 LEU 57 lone 5 70 - 7 - 9190/10211=2 Peak 2645 from cnoeabs.peaks (1.50, 0.83, 23.91 ppm; 3.03 A): 1 out of 11 assignments used, quality = 1.00: * HG LEU 57 + QD1 LEU 57 OK 100 100 - 100 - 2.1=100 HG LEU 2 - QD1 LEU 57 OK 27 81 - 33 - 2637/2.1=4, 2.1/2646=3...(16) HG3 LYS 66 - QD1 LEU 57 OK 23 96 - 24 - 2637/2.1=3, 2621/3.1=2...(13) HG2 LYS 66 - QD1 LEU 57 OK 22 92 - 24 - 2637/2.1=3, ~2637=2...(13) HB3 LEU 64 - QD1 LEU 57 lone 9 90 - 10 - 2637/2.1=1, 2613/3.1=1 HB2 ARG 91 - QD1 LEU 57 poor 8 77 - 11 - 3.0/10698=3, 2637/2.1=1 HG3 LYS 13 - QD1 LEU 57 lone 7 99 - 7 - 2637/2.1=1 HG3 LYS 33 - QD1 LEU 57 lone 6 100 - 6 - 4.9/6518=1 HG2 LYS 73 - QD1 LEU 57 lone 4 94 - 4 - HG3 LYS 24 - QD1 LEU 57 lone 3 97 - 3 - HG2 LYS 47 - QD1 LEU 57 lone 3 92 - 3 - Peak 2646 from cnoeabs.peaks (0.80, 0.83, 23.91 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * QD2 LEU 57 + QD1 LEU 57 OK 100 100 - 100 - 2.1=100 QG2 ILE 7 - QD1 LEU 57 OK 34 100 - 34 - 2630/2.1=4, 2614/3.1=3...(16) QD2 LEU 2 - QD1 LEU 57 OK 17 84 - 21 - 8048/4.0=5, 2.1/2645=2...(7) QG2 ILE 8 - QD1 LEU 57 OK 11 94 - 12 - 2630/2.1=1, 2614/3.1=1 QD2 LEU 70 - QD1 LEU 57 poor 10 87 - 11 - 2630/2.1=1 QD1 ILE 76 - QD1 LEU 57 lone 8 99 - 8 - 10283/3.1=1 QD1 LEU 70 - QD1 LEU 57 lone 5 57 - 8 - QG2 ILE 15 - QD1 LEU 57 lone 2 81 - 3 - QG2 ILE 52 - QD1 LEU 57 lone 2 70 - 3 - Peak 2647 from cnoeabs.peaks (0.83, 0.83, 23.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 57 + QD1 LEU 57 OK 100 100 - 100 Peak 2648 from cnoeabs.peaks (8.54, 0.83, 23.91 ppm; 3.77 A): 3 out of 4 assignments used, quality = 0.90: * H VAL 58 + QD1 LEU 57 OK 83 100 - 83 - 3.6/2642=29, 6950=27...(16) H ASN 51 + QD1 LEU 57 OK 24 96 - 25 - 2616/3.1=4, 2632/2.1=4...(7) H GLN 50 + QD1 LEU 57 OK 23 98 - 24 - 2616/3.1=4, 2624/3.1=4...(8) H LYS 12 - QD1 LEU 57 lone 2 57 - 3 - Peak 2649 from cnoeabs.peaks (8.54, 5.25, 58.24 ppm; 3.95 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 58 + HA VAL 58 OK 100 100 - 100 - 3.0=100 H GLN 50 - HA VAL 58 OK 26 98 - 26 - 2661/3.2=6, 2667/3.2=5...(8) H ASN 51 - HA VAL 58 OK 17 96 - 18 - 2661/3.2=4, 2667/3.2=4...(6) H LYS 12 - HA VAL 58 lone 2 57 - 4 - Peak 2650 from cnoeabs.peaks (5.25, 5.25, 58.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 58 + HA VAL 58 OK 100 100 - 100 Peak 2651 from cnoeabs.peaks (2.60, 5.25, 58.24 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 58 + HA VAL 58 OK 100 100 - 100 - 3.0=100 Peak 2652 from cnoeabs.peaks (0.68, 5.25, 58.24 ppm; 3.60 A): 2 out of 5 assignments used, quality = 1.00: * QG2 VAL 58 + HA VAL 58 OK 100 100 - 100 - 3.2=100 QD1 LEU 14 + HA VAL 58 OK 60 100 - 60 - 2658/3.0=9, 2670/3.2=9...(23) QD1 LEU 42 - HA VAL 58 OK 17 84 - 20 - 2.1/9374=3, 2658/3.0=2...(8) QD2 LEU 6 - HA VAL 58 OK 16 90 - 17 - 6953/3.0=4, 3.1/9368=2...(6) QD1 ILE 52 - HA VAL 58 OK 10 61 - 16 - ~12317=2, 3.1/8302=2...(5) Peak 2653 from cnoeabs.peaks (0.72, 5.25, 58.24 ppm; 3.17 A): 2 out of 9 assignments used, quality = 0.99: * QG1 VAL 58 + HA VAL 58 OK 98 100 - 98 - 3.2=97, 4.2/6958=16...(7) QD1 ILE 8 + HA VAL 58 OK 59 90 - 66 - 3.2/8300=20, 3.0/8302=13...(21) QD2 LEU 14 - HA VAL 58 OK 41 87 - 48 - 2.1/2652=8, 3.1/9374=5...(22) HG13 ILE 56 - HA VAL 58 OK 24 98 - 25 - 6954/3.0=3, ~8307=2...(10) QD1 ILE 56 - HA VAL 58 OK 18 84 - 21 - 8307/3.0=3, 6954/3.0=2...(8) QG2 VAL 78 - HA VAL 58 OK 13 100 - 12 - 6961/3.6=2, 2.1/10699=1...(6) QG1 VAL 5 - HA VAL 58 OK 12 98 - 12 - 2.1/9367=5, 6954/3.0=2 QD2 LEU 27 - HA VAL 58 lone 8 94 - 9 - HG3 ARG 81 - HA VAL 58 poor 8 61 - 13 - 2.9/9367=8, 6954/3.0=1 Peak 2654 from cnoeabs.peaks (8.80, 5.25, 58.24 ppm; 3.22 A): 2 out of 3 assignments used, quality = 0.97: * H SER 59 + HA VAL 58 OK 90 100 - 90 - 3.6=73, 6959/3.0=25...(12) H ILE 8 + HA VAL 58 OK 72 100 - 72 - 8298=32, 3.8/8300=18...(13) H ALA 22 - HA VAL 58 lone 2 65 - 3 - Peak 2655 from cnoeabs.peaks (8.54, 2.60, 33.16 ppm; 5.07 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 58 + HB VAL 58 OK 100 100 - 100 - 4.0=100 H GLN 50 - HB VAL 58 OK 36 98 - 37 - 2661/2.1=9, 2667/2.1=8...(8) H ASN 51 - HB VAL 58 OK 23 96 - 24 - 2661/2.1=6, 2667/2.1=6...(5) H LYS 12 - HB VAL 58 lone 3 57 - 6 - 2667/2.1=1 Peak 2656 from cnoeabs.peaks (5.25, 2.60, 33.16 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 58 + HB VAL 58 OK 100 100 - 100 - 3.0=100 Peak 2657 from cnoeabs.peaks (2.60, 2.60, 33.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 58 + HB VAL 58 OK 100 100 - 100 Peak 2658 from cnoeabs.peaks (0.68, 2.60, 33.16 ppm; 3.34 A): 2 out of 5 assignments used, quality = 1.00: * QG2 VAL 58 + HB VAL 58 OK 100 100 - 100 - 2.1=100 QD1 LEU 14 + HB VAL 58 OK 56 100 - 56 - 2670/2.1=10, 2652/3.0=7...(21) QD1 LEU 42 - HB VAL 58 OK 16 84 - 18 - 2.1/10701=2, 2670/2.1=2...(9) QD2 LEU 6 - HB VAL 58 OK 13 90 - 14 - 6953/4.0=2, 2652/3.0=2...(5) QD1 ILE 52 - HB VAL 58 poor 9 61 - 14 - 3.1/12317=3, 2652/3.0=1...(6) Peak 2659 from cnoeabs.peaks (0.72, 2.60, 33.16 ppm; 3.20 A): 2 out of 9 assignments used, quality = 1.00: * QG1 VAL 58 + HB VAL 58 OK 100 100 - 100 - 2.1=100 QD1 ILE 8 + HB VAL 58 OK 53 90 - 60 - 3.2/8301=8, 5.0/8290=7...(21) QD2 LEU 14 - HB VAL 58 OK 43 87 - 50 - 2.1/2658=9, 631/2.1=6...(21) HG13 ILE 56 - HB VAL 58 OK 24 98 - 24 - 2665/2.1=3, 2.9/9375=3...(8) QD1 ILE 56 - HB VAL 58 OK 19 84 - 22 - 3.2/9375=2, 2665/2.1=2...(9) QG2 VAL 78 - HB VAL 58 OK 14 100 - 14 - ~10225=2, 2665/2.1=2...(7) QD2 LEU 27 - HB VAL 58 OK 11 94 - 12 - 2665/2.1=1, ~9384=1 QG1 VAL 5 - HB VAL 58 lone 9 98 - 9 - ~9367=3, 6954/4.0=1...(4) HG3 ARG 81 - HB VAL 58 poor 7 61 - 11 - ~9367=4, 2665/2.1=1, ~10717=1 Peak 2660 from cnoeabs.peaks (8.80, 2.60, 33.16 ppm; 3.66 A): 2 out of 3 assignments used, quality = 0.97: * H SER 59 + HB VAL 58 OK 88 100 - 88 - 4.4=56, 6958/3.0=32...(11) H ILE 8 + HB VAL 58 OK 70 100 - 70 - 8298/3.0=27, 8290=15...(13) H ALA 22 - HB VAL 58 lone 3 65 - 4 - Peak 2661 from cnoeabs.peaks (8.54, 0.68, 19.32 ppm; 3.35 A): 3 out of 4 assignments used, quality = 0.88: * H VAL 58 + QG2 VAL 58 OK 81 100 - 81 - 4.0=58, 2667/2.1=20...(12) H GLN 50 + QG2 VAL 58 OK 23 98 - 23 - 2667/2.1=5, 2649/3.2=4...(8) H ASN 51 + QG2 VAL 58 OK 15 96 - 16 - 2667/2.1=4, 2649/3.2=2...(5) H LYS 12 - QG2 VAL 58 lone 2 57 - 4 - Peak 2662 from cnoeabs.peaks (5.25, 0.68, 19.32 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 58 + QG2 VAL 58 OK 100 100 - 100 - 3.2=100 Peak 2663 from cnoeabs.peaks (2.60, 0.68, 19.32 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 58 + QG2 VAL 58 OK 100 100 - 100 - 2.1=100 Peak 2664 from cnoeabs.peaks (0.68, 0.68, 19.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 58 + QG2 VAL 58 OK 100 100 - 100 Peak 2665 from cnoeabs.peaks (0.72, 0.68, 19.32 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * QG1 VAL 58 + QG2 VAL 58 OK 100 100 - 100 - 2.1=100 QD2 LEU 14 - QG2 VAL 58 OK 32 87 - 37 - 631=8, 2.1/615=4...(17) QD1 ILE 8 - QG2 VAL 58 OK 29 90 - 33 - ~8301=4, 2659/2.1=3...(16) HG13 ILE 56 - QG2 VAL 58 OK 13 98 - 14 - 2659/2.1=1, ~8307=1...(4) QD1 ILE 56 - QG2 VAL 58 poor 9 84 - 11 - 8307/2.1=1, 3.2/9380=1 QG2 VAL 78 - QG2 VAL 58 lone 8 100 - 8 - 2.1/9380=1 HG3 ARG 81 - QG2 VAL 58 poor 8 61 - 12 - 4.8/10711=5, 3.9/9387=3, ~9367=2 QD2 LEU 27 - QG2 VAL 58 lone 7 94 - 8 - 3.1/9379=1 QG1 VAL 5 - QG2 VAL 58 lone 6 98 - 6 - ~9367=2 Peak 2666 from cnoeabs.peaks (8.80, 0.68, 19.32 ppm; 4.03 A): 2 out of 3 assignments used, quality = 0.99: * H SER 59 + QG2 VAL 58 OK 98 100 - 98 - 4.2=86, 6959/2.1=44...(15) H ILE 8 + QG2 VAL 58 OK 68 100 - 68 - 8298/3.2=31, 8290/2.1=19...(10) H ALA 22 - QG2 VAL 58 lone 3 65 - 5 - Peak 2667 from cnoeabs.peaks (8.54, 0.72, 21.78 ppm; 3.70 A): 1 out of 4 assignments used, quality = 0.93: * H VAL 58 + QG1 VAL 58 OK 93 100 - 93 - 4.0=77, 2661/2.1=26...(13) H GLN 50 - QG1 VAL 58 OK 22 98 - 22 - 2661/2.1=7, 2649/3.2=4...(5) H ASN 51 - QG1 VAL 58 OK 17 96 - 18 - 2661/2.1=5, 2649/3.2=3...(5) H LYS 12 - QG1 VAL 58 lone 3 57 - 5 - 4.6/8384=1 Peak 2668 from cnoeabs.peaks (5.25, 0.72, 21.78 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 58 + QG1 VAL 58 OK 100 100 - 100 - 3.2=100 Peak 2669 from cnoeabs.peaks (2.60, 0.72, 21.78 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 58 + QG1 VAL 58 OK 100 100 - 100 - 2.1=100 Peak 2670 from cnoeabs.peaks (0.68, 0.72, 21.78 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 58 + QG1 VAL 58 OK 100 100 - 100 - 2.1=100 QD1 LEU 14 - QG1 VAL 58 OK 37 100 - 37 - 624=5, 2658/2.1=5...(16) QD1 LEU 42 - QG1 VAL 58 lone 8 84 - 9 - 2.1/10224=1, 2658/2.1=1 QD2 LEU 6 - QG1 VAL 58 lone 6 90 - 7 - 2658/2.1=1, 6953/4.0=1 QD1 ILE 52 - QG1 VAL 58 lone 4 61 - 6 - Peak 2671 from cnoeabs.peaks (0.72, 0.72, 21.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 58 + QG1 VAL 58 OK 100 100 - 100 Peak 2672 from cnoeabs.peaks (8.80, 0.72, 21.78 ppm; 3.66 A): 2 out of 3 assignments used, quality = 0.97: * H SER 59 + QG1 VAL 58 OK 92 100 - 92 - 4.2=64, 6959/2.1=39...(15) H ILE 8 + QG1 VAL 58 OK 67 100 - 67 - 8298/3.2=26, 2660/2.1=15...(13) H ALA 22 - QG1 VAL 58 lone 3 65 - 4 - Peak 2673 from cnoeabs.peaks (8.80, 5.06, 59.32 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * H SER 59 + HA SER 59 OK 100 100 - 100 - 3.0=100 H ILE 8 - HA SER 59 OK 25 100 - 25 - 6967/3.6=9, 2683/3.0=5...(5) H ALA 22 - HA SER 59 lone 3 65 - 4 - Peak 2674 from cnoeabs.peaks (5.06, 5.06, 59.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 59 + HA SER 59 OK 100 100 - 100 Peak 2675 from cnoeabs.peaks (4.16, 5.06, 59.32 ppm; 3.41 A): 1 out of 7 assignments used, quality = 1.00: * HB2 SER 59 + HA SER 59 OK 100 100 - 100 - 3.0=100 HA GLU 23 - HA SER 59 lone 8 87 - 10 - 2685/3.0=2, 6963/3.0=1 HA LYS 73 - HA SER 59 lone 8 84 - 9 - 2685/3.0=2, 6969/3.6=1...(5) HA GLN 72 - HA SER 59 lone 5 99 - 5 - 6969/3.6=2, 6963/3.0=1 HA LYS 13 - HA SER 59 lone 5 99 - 5 - 6963/3.0=1, 6969/3.6=1 HA MET 1 - HA SER 59 lone 4 100 - 4 - 6963/3.0=1, 6969/3.6=1 HA LYS 47 - HA SER 59 lone 2 77 - 2 - Peak 2676 from cnoeabs.peaks (4.04, 5.06, 59.32 ppm; 3.35 A): 1 out of 6 assignments used, quality = 1.00: * HB3 SER 59 + HA SER 59 OK 100 100 - 100 - 3.0=100 HA GLU 16 - HA SER 59 lone 8 96 - 9 - 2681/3.0=2, 6964/3.0=1 HA GLU 95 - HA SER 59 lone 7 81 - 9 - 6970/3.6=3, 6964/3.0=2...(4) HA LYS 20 - HA SER 59 lone 4 77 - 6 - 6964/3.0=1 HA GLU 17 - HA SER 59 lone 3 73 - 4 - HA LEU 70 - HA SER 59 lone 3 70 - 4 - 6964/3.0=1 Peak 2677 from cnoeabs.peaks (7.73, 5.06, 59.32 ppm; 4.16 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 60 + HA SER 59 OK 100 100 - 100 - 3.6=100 H LEU 64 - HA SER 59 OK 18 84 - 22 - 6965/3.0=9, 2688/4.8=3...(8) H SER 49 - HA SER 59 OK 17 99 - 17 - 6965/3.0=6, 2682/3.0=3...(4) H MET 74 - HA SER 59 poor 9 73 - 12 - 2687/3.0=3, 2682/3.0=2...(4) H GLU 37 - HA SER 59 lone 5 90 - 6 - 2688/4.8=2 Peak 2678 from cnoeabs.peaks (8.80, 4.16, 65.60 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * H SER 59 + HB2 SER 59 OK 100 100 - 100 - 4.0=100 H ILE 8 - HB2 SER 59 OK 22 100 - 22 - 2683/1.8=7, 6967/4.6=7...(4) H ALA 22 - HB2 SER 59 lone 4 65 - 5 - 4.7/6364=1, 2683/1.8=1 Peak 2679 from cnoeabs.peaks (5.06, 4.16, 65.60 ppm; 3.55 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 59 + HB2 SER 59 OK 100 100 - 100 - 3.0=100 HA LYS 53 - HB2 SER 59 lone 4 61 - 6 - 2684/1.8=2, ~2405=1 Peak 2680 from cnoeabs.peaks (4.16, 4.16, 65.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 59 + HB2 SER 59 OK 100 100 - 100 Peak 2681 from cnoeabs.peaks (4.04, 4.16, 65.60 ppm; 2.86 A): 1 out of 6 assignments used, quality = 1.00: * HB3 SER 59 + HB2 SER 59 OK 100 100 - 100 - 1.8=100 HA GLU 16 - HB2 SER 59 poor 10 96 - 10 - 3.0/695=2, 3.0/703=1...(4) HA GLU 95 - HB2 SER 59 lone 5 81 - 6 - 6970/4.6=2, 2676/3.0=1 HA LYS 20 - HB2 SER 59 lone 4 77 - 4 - HA GLU 17 - HB2 SER 59 lone 3 73 - 4 - 2.9/10427=1 HA LEU 70 - HB2 SER 59 lone 2 70 - 3 - Peak 2682 from cnoeabs.peaks (7.73, 4.16, 65.60 ppm; 4.92 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 60 + HB2 SER 59 OK 100 100 - 100 - 4.6=100 H SER 49 - HB2 SER 59 OK 24 99 - 24 - 6965/4.0=6, 2687/1.8=6...(4) H LEU 64 - HB2 SER 59 OK 18 84 - 22 - 6965/4.0=9, 2677/3.0=5...(4) H MET 74 - HB2 SER 59 OK 15 73 - 20 - 2687/1.8=5, 2677/3.0=2...(9) H GLU 37 - HB2 SER 59 lone 6 90 - 7 - 2677/3.0=1, 2687/1.8=1 Peak 2683 from cnoeabs.peaks (8.80, 4.04, 65.60 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * H SER 59 + HB3 SER 59 OK 100 100 - 100 - 4.0=100 H ILE 8 - HB3 SER 59 OK 26 100 - 26 - 6967/4.6=8, 2678/1.8=7...(5) H ALA 22 - HB3 SER 59 lone 4 65 - 6 - 4.7/6358=1, 2678/1.8=1 Peak 2684 from cnoeabs.peaks (5.06, 4.04, 65.60 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 59 + HB3 SER 59 OK 100 100 - 100 - 3.0=100 HA LYS 53 - HB3 SER 59 lone 4 61 - 7 - 2679/1.8=1, ~2405=1 Peak 2685 from cnoeabs.peaks (4.16, 4.04, 65.60 ppm; 2.89 A): 1 out of 7 assignments used, quality = 1.00: * HB2 SER 59 + HB3 SER 59 OK 100 100 - 100 - 1.8=100 HA GLU 23 - HB3 SER 59 poor 9 87 - 11 - 3.0/1027=1, 3.0/1019=1...(4) HA LYS 73 - HB3 SER 59 poor 9 84 - 11 - 3.0/9582=2, 3.0/9582=2...(4) HA GLN 72 - HB3 SER 59 lone 5 99 - 5 - 6969/4.6=1 HA LYS 13 - HB3 SER 59 lone 4 99 - 4 - HA MET 1 - HB3 SER 59 lone 3 100 - 3 - HA LYS 47 - HB3 SER 59 lone 1 77 - 2 - Peak 2686 from cnoeabs.peaks (4.04, 4.04, 65.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 59 + HB3 SER 59 OK 100 100 - 100 Peak 2687 from cnoeabs.peaks (7.73, 4.04, 65.60 ppm; 5.08 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 60 + HB3 SER 59 OK 100 100 - 100 - 4.6=100 H SER 49 - HB3 SER 59 OK 26 99 - 26 - 3.6/9405=7, 6965/4.0=6...(4) H MET 74 - HB3 SER 59 OK 20 73 - 27 - 4.6/9582=4, 4.6/9582=4...(10) H LEU 64 - HB3 SER 59 OK 18 84 - 21 - 6965/4.0=9, 2677/3.0=5 H GLU 37 - HB3 SER 59 lone 6 90 - 7 - 2682/1.8=2, 2677/3.0=2 Peak 2688 from cnoeabs.peaks (7.73, 4.81, 52.01 ppm; 4.30 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 60 + HA ASN 60 OK 100 100 - 100 - 3.0=100 H LEU 64 - HA ASN 60 OK 23 84 - 28 - 6990/3.6=7, 2695/3.0=6...(7) H SER 49 - HA ASN 60 OK 16 99 - 16 - 2695/3.0=3, 2702/3.0=3...(7) H GLU 37 - HA ASN 60 OK 14 90 - 15 - 2702/3.0=3, 2695/3.0=3...(5) H MET 74 - HA ASN 60 lone 6 73 - 8 - 2695/3.0=1, 2677/4.8=1...(4) Peak 2689 from cnoeabs.peaks (4.81, 4.81, 52.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 60 + HA ASN 60 OK 100 100 - 100 Peak 2690 from cnoeabs.peaks (2.89, 4.81, 52.01 ppm; 3.92 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ASN 60 + HA ASN 60 OK 100 100 - 100 - 3.0=100 HE2 LYS 66 - HA ASN 60 OK 19 100 - 19 - 6972/3.0=5, 2704/3.0=3...(7) HE3 LYS 66 - HA ASN 60 OK 17 94 - 18 - 6972/3.0=4, ~6972=3...(7) HE3 LYS 68 - HA ASN 60 lone 3 73 - 3 - HE3 LYS 39 - HA ASN 60 lone 2 77 - 3 - HE3 LYS 94 - HA ASN 60 lone 2 61 - 4 - 7.3/7504=2 HE2 LYS 68 - HA ASN 60 lone 2 65 - 3 - Peak 2691 from cnoeabs.peaks (3.06, 4.81, 52.01 ppm; 5.41 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASN 60 + HA ASN 60 OK 100 100 - 100 - 3.0=100 HB3 ASN 26 - HA ASN 60 OK 26 96 - 28 - 6993/3.6=11, 6973/3.0=5...(7) HD2 ARG 79 - HA ASN 60 OK 12 84 - 14 - 6973/3.0=3, ~6973=2...(7) HD3 ARG 79 - HA ASN 60 OK 10 77 - 13 - 6973/3.0=3, ~6973=2...(7) HB3 HIS 105 - HA ASN 60 lone 8 98 - 8 - 6973/3.0=1, 6981/4.5=1...(4) HB3 HIS 106 - HA ASN 60 lone 7 99 - 6 - 6973/3.0=1, 6981/4.5=1 Peak 2692 from cnoeabs.peaks (6.87, 4.81, 52.01 ppm; 4.22 A): 2 out of 5 assignments used, quality = 0.93: * HD21 ASN 60 + HA ASN 60 OK 88 100 - 88 - 4.5=80, ~6975=18...(4) HD1 TRP 92 + HA ASN 60 OK 44 100 - 44 - 14527=12, 3.9/4096=7...(11) HE21 GLN 72 - HA ASN 60 lone 3 57 - 6 - HE1 TYR 41 - HA ASN 60 lone 3 70 - 4 - HE2 TYR 41 - HA ASN 60 lone 2 61 - 3 - Peak 2694 from cnoeabs.peaks (8.58, 4.81, 52.01 ppm; 5.25 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 61 + HA ASN 60 OK 100 100 - 100 - 3.6=100 H LYS 12 - HA ASN 60 lone 6 77 - 8 - 6976/3.0=2, 2701/3.0=2 Peak 2695 from cnoeabs.peaks (7.73, 2.89, 40.34 ppm; 4.50 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 60 + HB2 ASN 60 OK 100 100 - 100 - 4.0=100 H LEU 64 - HB2 ASN 60 OK 34 84 - 41 - 2702/1.8=7, 6990/4.4=6...(11) H GLU 37 - HB2 ASN 60 OK 19 90 - 21 - 2702/1.8=4, 4.0/9423=3...(7) H SER 49 - HB2 ASN 60 OK 16 99 - 16 - 2702/1.8=4, 2688/3.0=3...(5) H MET 74 - HB2 ASN 60 poor 8 73 - 11 - 6.0/10869=2, 4.8/9423=2...(6) Peak 2696 from cnoeabs.peaks (4.81, 2.89, 40.34 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 60 + HB2 ASN 60 OK 100 100 - 100 - 3.0=100 HA TRP 92 - HB2 ASN 60 OK 25 97 - 26 - 2703/1.8=7, 6979/3.5=4...(9) HA VAL 83 - HB2 ASN 60 OK 13 77 - 17 - 2703/1.8=3, 6971/4.0=3...(9) Peak 2697 from cnoeabs.peaks (2.89, 2.89, 40.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 60 + HB2 ASN 60 OK 100 100 - 100 Peak 2698 from cnoeabs.peaks (3.06, 2.89, 40.34 ppm; 2.86 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASN 60 + HB2 ASN 60 OK 100 100 - 100 - 1.8=100 HB3 ASN 26 - HB2 ASN 60 lone 9 96 - 9 - 6993/4.4=3, 6973/4.0=1 HD2 ARG 79 - HB2 ASN 60 lone 4 84 - 4 - HD3 ARG 79 - HB2 ASN 60 lone 3 77 - 4 - HB3 HIS 105 - HB2 ASN 60 lone 2 98 - 2 - HB3 HIS 106 - HB2 ASN 60 lone 2 99 - 2 - Peak 2699 from cnoeabs.peaks (6.87, 2.89, 40.34 ppm; 4.19 A): 1 out of 5 assignments used, quality = 1.00: * HD21 ASN 60 + HB2 ASN 60 OK 100 100 - 100 - 3.5=100 HD1 TRP 92 - HB2 ASN 60 OK 27 100 - 27 - 2692/3.0=9, 2706/1.8=8...(5) HE21 GLN 72 - HB2 ASN 60 lone 3 57 - 4 - 6988/3.5=1 HE1 TYR 41 - HB2 ASN 60 lone 2 70 - 3 - HE2 TYR 41 - HB2 ASN 60 lone 2 61 - 3 - Peak 2700 from cnoeabs.peaks (7.37, 2.89, 40.34 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 60 + HB2 ASN 60 OK 100 100 - 100 - 3.5=100 Peak 2701 from cnoeabs.peaks (8.58, 2.89, 40.34 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.97: * H ASP 61 + HB2 ASN 60 OK 97 100 - 97 - 4.4=92, 2708/1.8=39...(5) H LYS 12 - HB2 ASN 60 lone 5 77 - 6 - 2708/1.8=2, 2694/3.0=1 Peak 2702 from cnoeabs.peaks (7.73, 3.06, 40.34 ppm; 4.53 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 60 + HB3 ASN 60 OK 100 100 - 100 - 4.0=100 H LEU 64 - HB3 ASN 60 OK 30 84 - 36 - 2695/1.8=8, 6990/4.4=6...(7) H GLU 37 - HB3 ASN 60 OK 19 90 - 21 - 2695/1.8=4, 4.0/9424=4...(7) H SER 49 - HB3 ASN 60 OK 16 99 - 16 - 2695/1.8=4, 2688/3.0=3...(5) H MET 74 - HB3 ASN 60 lone 6 73 - 8 - 2695/1.8=2, 6978/3.5=2...(4) Peak 2703 from cnoeabs.peaks (4.81, 3.06, 40.34 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 60 + HB3 ASN 60 OK 100 100 - 100 - 3.0=100 HA TRP 92 - HB3 ASN 60 OK 26 97 - 27 - 2696/1.8=7, 6979/3.5=5...(9) HA VAL 83 - HB3 ASN 60 OK 14 77 - 18 - 2696/1.8=4, 6971/4.0=3...(9) Peak 2704 from cnoeabs.peaks (2.89, 3.06, 40.34 ppm; 2.91 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ASN 60 + HB3 ASN 60 OK 100 100 - 100 - 1.8=100 HE2 LYS 66 - HB3 ASN 60 OK 10 100 - 10 - 2690/3.0=2, 6972/4.0=2...(6) HE3 LYS 66 - HB3 ASN 60 lone 9 94 - 10 - 2690/3.0=2, 6972/4.0=2...(6) HE3 LYS 39 - HB3 ASN 60 lone 1 77 - 2 - HE3 LYS 68 - HB3 ASN 60 lone 1 73 - 2 - HE2 LYS 68 - HB3 ASN 60 lone 1 65 - 1 - HE3 LYS 94 - HB3 ASN 60 lone 1 61 - 1 - Peak 2705 from cnoeabs.peaks (3.06, 3.06, 40.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 60 + HB3 ASN 60 OK 100 100 - 100 Peak 2706 from cnoeabs.peaks (6.87, 3.06, 40.34 ppm; 4.48 A): 1 out of 5 assignments used, quality = 1.00: * HD21 ASN 60 + HB3 ASN 60 OK 100 100 - 100 - 3.5=100 HD1 TRP 92 - HB3 ASN 60 OK 30 100 - 30 - 2692/3.0=11, 2699/1.8=9...(5) HE21 GLN 72 - HB3 ASN 60 lone 3 57 - 5 - 6988/3.5=1 HE1 TYR 41 - HB3 ASN 60 lone 3 70 - 4 - HE2 TYR 41 - HB3 ASN 60 lone 2 61 - 3 - Peak 2707 from cnoeabs.peaks (7.37, 3.06, 40.34 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 60 + HB3 ASN 60 OK 100 100 - 100 - 3.5=100 Peak 2708 from cnoeabs.peaks (8.58, 3.06, 40.34 ppm; 4.07 A): 1 out of 2 assignments used, quality = 0.93: * H ASP 61 + HB3 ASN 60 OK 93 100 - 93 - 4.4=79, 2701/1.8=34...(5) H LYS 12 - HB3 ASN 60 lone 4 77 - 5 - 2701/1.8=2, 2694/3.0=1 Peak 2709 from cnoeabs.peaks (8.58, 4.37, 57.35 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 61 + HA ASP 61 OK 100 100 - 100 - 3.0=100 H LYS 12 - HA ASP 61 lone 4 77 - 5 - 2719/3.0=1, 7001/3.6=1 Peak 2710 from cnoeabs.peaks (4.37, 4.37, 57.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 61 + HA ASP 61 OK 100 100 - 100 Peak 2711 from cnoeabs.peaks (2.51, 4.37, 57.35 ppm; 3.71 A): 1 out of 9 assignments used, quality = 1.00: * HB2 ASP 61 + HA ASP 61 OK 100 100 - 100 - 3.0=100 HB3 ASP 36 - HA ASP 61 OK 32 100 - 32 - 2715=6, 1.8/2715=5...(10) HB2 ASP 36 - HA ASP 61 OK 32 99 - 32 - 2715=6, 1.8/2715=5...(10) HG3 GLU 63 - HA ASP 61 OK 21 98 - 21 - 7003/3.6=6, 4.8/9456=6...(7) HG3 GLU 95 - HA ASP 61 lone 3 73 - 4 - 7003/3.6=1 HG3 GLU 23 - HA ASP 61 lone 3 61 - 5 - 7003/3.6=1 HB3 ASP 87 - HA ASP 61 lone 2 87 - 3 - HB2 ASP 87 - HA ASP 61 lone 2 87 - 3 - HG2 MET 74 - HA ASP 61 lone 2 65 - 4 - Peak 2712 from cnoeabs.peaks (2.73, 4.37, 57.35 ppm; 3.58 A): 3 out of 4 assignments used, quality = 1.00: * HB3 ASP 61 + HA ASP 61 OK 100 100 - 100 - 3.0=100 HB2 ASN 26 + HA ASP 61 OK 49 99 - 49 - 1167=11, 1.8/1174=9...(15) HE2 LYS 82 + HA ASP 61 OK 46 98 - 47 - ~9443=8, ~10931=8...(14) HB2 ASP 65 - HA ASP 61 lone 6 65 - 9 - 7004/3.6=4, 10238/9441=1 Peak 2713 from cnoeabs.peaks (8.40, 4.37, 57.35 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 62 + HA ASP 61 OK 100 100 - 100 - 3.6=100 H THR 80 - HA ASP 61 OK 24 90 - 26 - 6999/3.0=6, 4.6/7314=4...(7) Peak 2714 from cnoeabs.peaks (8.58, 2.51, 40.38 ppm; 4.37 A): 1 out of 6 assignments used, quality = 1.00: * H ASP 61 + HB2 ASP 61 OK 100 100 - 100 - 4.0=100 H ASP 61 - HB3 ASP 36 OK 34 91 - 38 - 6997=8, 6997/1.8=7...(10) H ASP 61 - HB2 ASP 36 OK 33 88 - 38 - 6997=8, 6997/1.8=7...(10) H LYS 12 - HB2 ASP 61 lone 4 77 - 5 - 2719/1.8=1, 2709/3.0=1 H LYS 12 - HB3 ASP 36 lone 1 65 - 2 - H LYS 12 - HB2 ASP 36 lone 1 61 - 1 - Peak 2715 from cnoeabs.peaks (4.37, 2.51, 40.38 ppm; 3.88 A): 1 out of 12 assignments used, quality = 1.00: * HA ASP 61 + HB2 ASP 61 OK 100 100 - 100 - 3.0=100 HA ASN 26 - HB2 ASP 61 OK 38 96 - 39 - 2720/1.8=11, 6996/4.0=5...(11) HA ASP 61 - HB3 ASP 36 OK 33 91 - 36 - 2711=8, 2711/1.8=6...(10) HA ASP 61 - HB2 ASP 36 OK 32 88 - 36 - 2711=8, 2711/1.8=6...(10) HA ARG 81 - HB2 ASP 61 OK 18 100 - 18 - 2720/1.8=4, 7002/4.4=3...(6) HA ASN 26 - HB3 ASP 36 lone 3 84 - 3 - HA ASN 26 - HB2 ASP 36 lone 2 80 - 3 - HA SER 102 - HB2 ASP 61 lone 2 77 - 2 - HA ARG 81 - HB3 ASP 36 lone 2 90 - 2 - HA ARG 81 - HB2 ASP 36 lone 1 87 - 2 - HA SER 102 - HB3 ASP 36 lone 0 65 - 1 - HA SER 102 - HB2 ASP 36 lone 0 61 - 1 - Peak 2716 from cnoeabs.peaks (2.51, 2.51, 40.38 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 ASP 61 + HB2 ASP 61 OK 100 100 - 100 HB3 ASP 36 + HB3 ASP 36 OK 90 90 - 100 HB2 ASP 36 + HB2 ASP 36 OK 86 86 - 100 Peak 2717 from cnoeabs.peaks (2.73, 2.51, 40.38 ppm; 3.02 A): 1 out of 12 assignments used, quality = 1.00: * HB3 ASP 61 + HB2 ASP 61 OK 100 100 - 100 - 1.8=100 HB2 ASN 26 - HB2 ASP 61 OK 24 99 - 24 - 1167/3.0=5, ~1175=3...(9) HE2 LYS 82 - HB2 ASP 61 OK 21 98 - 21 - 2712/3.0=4, ~3733=3...(10) HB3 ASP 61 - HB3 ASP 36 OK 18 91 - 20 - 2721=5, 2721/1.8=4...(7) HB3 ASP 61 - HB2 ASP 36 OK 17 88 - 20 - 2721=5, 2721/1.8=4...(7) HB2 ASP 65 - HB2 ASP 61 lone 5 65 - 7 - 4.0/10768=3, 7004/4.4=2 HB2 ASN 26 - HB3 ASP 36 lone 1 89 - 2 - HE2 LYS 82 - HB3 ASP 36 lone 1 87 - 2 - HB2 ASN 26 - HB2 ASP 36 lone 1 86 - 2 - HE2 LYS 82 - HB2 ASP 36 lone 1 84 - 2 - HB2 ASP 65 - HB3 ASP 36 lone 1 54 - 2 - HB2 ASP 65 - HB2 ASP 36 lone 1 51 - 2 - Peak 2718 from cnoeabs.peaks (8.40, 2.51, 40.38 ppm; 4.25 A): 1 out of 6 assignments used, quality = 0.97: * H GLU 62 + HB2 ASP 61 OK 97 100 - 97 - 4.4=90, 2723/1.8=33...(10) H GLU 62 - HB3 ASP 36 OK 24 91 - 26 - 7003=5, 3.6/2711=5...(6) H GLU 62 - HB2 ASP 36 OK 23 88 - 26 - 7003=5, 3.6/2711=5...(6) H THR 80 - HB2 ASP 61 OK 16 90 - 18 - 2713/3.0=6, 2723/1.8=5 H THR 80 - HB3 ASP 36 lone 2 77 - 3 - H THR 80 - HB2 ASP 36 lone 2 73 - 3 - Peak 2719 from cnoeabs.peaks (8.58, 2.73, 40.38 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 61 + HB3 ASP 61 OK 100 100 - 100 - 4.0=100 H LYS 12 - HB3 ASP 61 lone 3 77 - 4 - 2709/3.0=1 Peak 2720 from cnoeabs.peaks (4.37, 2.73, 40.38 ppm; 3.52 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 61 + HB3 ASP 61 OK 100 100 - 100 - 3.0=100 HA ASN 26 - HB3 ASP 61 OK 43 96 - 45 - 1161=11, 3.0/1175=5...(14) HA ARG 81 - HB3 ASP 61 OK 16 100 - 16 - 2715/1.8=2, 7002/4.4=2...(6) HA SER 102 - HB3 ASP 61 lone 1 77 - 2 - Peak 2721 from cnoeabs.peaks (2.51, 2.73, 40.38 ppm; 2.81 A): 1 out of 9 assignments used, quality = 1.00: * HB2 ASP 61 + HB3 ASP 61 OK 100 100 - 100 - 1.8=100 HB3 ASP 36 - HB3 ASP 61 OK 16 100 - 16 - 2717=4, 1.8/2717=3...(7) HB2 ASP 36 - HB3 ASP 61 OK 15 99 - 16 - 2717=4, 1.8/2717=3...(7) HG3 GLU 63 - HB3 ASP 61 lone 9 98 - 9 - 7003/4.4=2, 2711/3.0=2 HG3 GLU 23 - HB3 ASP 61 lone 2 61 - 2 - HG3 GLU 95 - HB3 ASP 61 lone 1 73 - 2 - HG2 MET 74 - HB3 ASP 61 lone 1 65 - 2 - HB3 ASP 87 - HB3 ASP 61 lone 1 87 - 1 - HB2 ASP 87 - HB3 ASP 61 lone 1 87 - 1 - Peak 2722 from cnoeabs.peaks (2.73, 2.73, 40.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 61 + HB3 ASP 61 OK 100 100 - 100 Peak 2723 from cnoeabs.peaks (8.40, 2.73, 40.38 ppm; 4.26 A): 1 out of 2 assignments used, quality = 0.97: * H GLU 62 + HB3 ASP 61 OK 97 100 - 97 - 4.4=92, 7001/4.0=27...(8) H THR 80 - HB3 ASP 61 OK 15 90 - 16 - 2713/3.0=6, 6999/4.0=5 Peak 2724 from cnoeabs.peaks (8.40, 4.12, 59.59 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 62 + HA GLU 62 OK 100 100 - 100 - 3.0=100 H THR 80 - HA GLU 62 OK 12 90 - 13 - 2741/3.0=3, 2734/3.0=3...(5) Peak 2725 from cnoeabs.peaks (4.12, 4.12, 59.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 62 + HA GLU 62 OK 100 100 - 100 Peak 2726 from cnoeabs.peaks (2.02, 4.12, 59.59 ppm; 3.49 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLU 62 + HA GLU 62 OK 100 100 - 100 - 3.0=100 HB3 LYS 94 - HA GLU 62 OK 23 97 - 24 - 2743/3.0=4, 7006/3.0=2...(15) HB2 GLU 35 - HA GLU 62 OK 17 96 - 18 - 1.8/2727=3, 2743/3.0=3...(6) HB3 GLU 17 - HA GLU 62 OK 11 94 - 12 - 2743/3.0=2, 7006/3.0=2...(4) QE MET 74 - HA GLU 62 lone 6 81 - 7 - 7015/3.6=2, 3.4/2733=1 HB2 GLN 50 - HA GLU 62 lone 4 96 - 4 - HB3 MET 1 - HA GLU 62 lone 2 84 - 3 - HB2 GLU 44 - HA GLU 62 lone 2 77 - 3 - HB3 GLU 44 - HA GLU 62 lone 2 77 - 3 - Peak 2727 from cnoeabs.peaks (2.09, 4.12, 59.59 ppm; 3.18 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLU 62 + HA GLU 62 OK 100 100 - 100 - 3.0=100 HG3 GLU 104 - HA GLU 62 OK 26 94 - 28 - 4543=5, 1.8/4536=5...(11) HB2 GLU 23 - HA GLU 62 OK 25 100 - 25 - 2737/3.0=4, 7007/3.0=3...(7) HB3 GLU 35 - HA GLU 62 OK 14 96 - 15 - 1.8/2726=3, 2737/3.0=2...(6) HB3 GLU 88 - HA GLU 62 lone 7 90 - 8 - 4.3/9923=1 HB2 GLU 16 - HA GLU 62 lone 5 84 - 6 - 3.0/8479=2, 7016/3.6=1 QE MET 21 - HA GLU 62 lone 4 92 - 4 - 8535/3.6=1 HB3 PRO 86 - HA GLU 62 lone 2 73 - 3 - HB3 LEU 38 - HA GLU 62 lone 2 73 - 2 - Peak 2728 from cnoeabs.peaks (2.26, 4.12, 59.59 ppm; 3.43 A): 2 out of 6 assignments used, quality = 0.99: HG3 GLU 62 + HA GLU 62 OK 88 100 - 88 - 4.0=65, 1.8/2756=13...(17) * HG2 GLU 62 + HA GLU 62 OK 88 100 - 88 - 4.0=65, 1.8/2756=13...(17) HG2 GLU 23 - HA GLU 62 OK 20 97 - 21 - 2.9/2727=4, 2746/3.0=3...(9) HG2 GLU 95 - HA GLU 62 lone 9 96 - 10 - 7017/3.6=2, 2738/3.0=2...(5) HG2 GLU 37 - HA GLU 62 lone 6 99 - 6 - 2739/3.0=1, 2746/3.0=1 HG2 GLU 17 - HA GLU 62 lone 5 61 - 8 - 3.0/2726=2, 1.8/4429=2 Peak 2729 from cnoeabs.peaks (2.26, 4.12, 59.59 ppm; 3.43 A): 2 out of 6 assignments used, quality = 0.99: * HG3 GLU 62 + HA GLU 62 OK 88 100 - 88 - 4.0=65, 1.8/2756=13...(17) HG2 GLU 62 + HA GLU 62 OK 88 100 - 88 - 4.0=65, 1.8/2756=13...(17) HG2 GLU 23 - HA GLU 62 OK 20 97 - 21 - 2.9/2727=4, 2746/3.0=3...(9) HG2 GLU 95 - HA GLU 62 lone 9 96 - 10 - 7017/3.6=2, 2738/3.0=2...(5) HG2 GLU 37 - HA GLU 62 lone 6 99 - 6 - 2739/3.0=1, 2746/3.0=1 HG2 GLU 17 - HA GLU 62 lone 5 61 - 8 - 3.0/2726=2, 1.8/4429=2 Peak 2730 from cnoeabs.peaks (8.38, 4.12, 59.59 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 63 + HA GLU 62 OK 100 100 - 100 - 3.6=100 Peak 2731 from cnoeabs.peaks (7.92, 4.12, 59.59 ppm; 4.42 A): 1 out of 3 assignments used, quality = 0.83: * H ASP 65 + HA GLU 62 OK 83 100 - 83 - 7044=29, 7045/3.6=28...(8) H GLN 72 - HA GLU 62 lone 8 87 - 9 - 7025/3.6=3, 7041/7028=2...(4) H GLU 69 - HA GLU 62 lone 5 65 - 8 - 7064/7060=2, 2859/2732=2...(4) Peak 2732 from cnoeabs.peaks (2.71, 4.12, 59.59 ppm; 4.02 A): 2 out of 2 assignments used, quality = 0.74: * HB2 ASP 65 + HA GLU 62 OK 64 100 - 64 - 2858=29, 1.8/2733=23...(7) HB3 ASP 61 + HA GLU 62 OK 29 65 - 44 - 3.0/10743=15...(7) Peak 2733 from cnoeabs.peaks (2.64, 4.12, 59.59 ppm; 4.45 A): 3 out of 4 assignments used, quality = 0.78: * HB3 ASP 65 + HA GLU 62 OK 72 100 - 72 - 1.8/2732=30, 2864=26...(7) HB3 ASP 77 + HA GLU 62 OK 12 98 - 12 - 2864=4, 7056/2731=2...(5) HB3 TYR 41 + HA GLU 62 OK 11 100 - 10 - 10749/3.6=4, ~10741=2...(4) HG3 MET 74 - HA GLU 62 poor 8 65 - 11 - 10749/3.6=5, 3.4/2726=1 Peak 2734 from cnoeabs.peaks (8.40, 2.02, 28.48 ppm; 3.99 A): 1 out of 2 assignments used, quality = 0.99: * H GLU 62 + HB2 GLU 62 OK 99 100 - 99 - 4.0=98, 2741/1.8=34...(10) H THR 80 - HB2 GLU 62 OK 12 90 - 13 - 2741/1.8=5, 2724/3.0=4...(5) Peak 2735 from cnoeabs.peaks (4.12, 2.02, 28.48 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 62 + HB2 GLU 62 OK 100 100 - 100 - 3.0=100 HA GLU 104 - HB2 GLU 62 OK 38 99 - 38 - 2742/1.8=11, 7005/4.0=4...(15) HA GLU 99 - HB2 GLU 62 OK 12 100 - 12 - 2742/1.8=3, 7014/4.6=2...(4) Peak 2736 from cnoeabs.peaks (2.02, 2.02, 28.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 62 + HB2 GLU 62 OK 100 100 - 100 Peak 2737 from cnoeabs.peaks (2.09, 2.02, 28.48 ppm; 2.84 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLU 62 + HB2 GLU 62 OK 100 100 - 100 - 1.8=100 HB2 GLU 23 - HB2 GLU 62 OK 26 100 - 26 - 1024/2.9=3, 1024/2.9=3...(11) HG3 GLU 104 - HB2 GLU 62 OK 15 94 - 16 - 4543/3.0=3, 4.1/2735=3...(7) HB3 GLU 35 - HB2 GLU 62 OK 14 96 - 14 - 1543=2, ~2743=2...(5) HB2 GLU 16 - HB2 GLU 62 lone 5 84 - 6 - HB3 GLU 88 - HB2 GLU 62 lone 4 90 - 4 - QE MET 21 - HB2 GLU 62 lone 4 92 - 4 - HB3 LEU 38 - HB2 GLU 62 lone 2 73 - 2 - HB3 PRO 86 - HB2 GLU 62 lone 2 73 - 2 - Peak 2738 from cnoeabs.peaks (2.26, 2.02, 28.48 ppm; 3.59 A): 2 out of 6 assignments used, quality = 1.00: HG3 GLU 62 + HB2 GLU 62 OK 100 100 - 100 - 2.9=100 * HG2 GLU 62 + HB2 GLU 62 OK 100 100 - 100 - 2.9=100 HG2 GLU 23 - HB2 GLU 62 OK 28 97 - 29 - 2.9/2737=5, 2746/1.8=4...(13) HG2 GLU 95 - HB2 GLU 62 OK 16 96 - 17 - 2746/1.8=2, 7017/4.6=2...(9) HG2 GLU 37 - HB2 GLU 62 OK 15 99 - 15 - ~1612=3, ~1591=2...(6) HG2 GLU 17 - HB2 GLU 62 poor 7 61 - 12 - 3.0/739=1, 1.8/761=1, ~2743=1 Peak 2739 from cnoeabs.peaks (2.26, 2.02, 28.48 ppm; 3.59 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 62 + HB2 GLU 62 OK 100 100 - 100 - 2.9=100 HG2 GLU 62 + HB2 GLU 62 OK 100 100 - 100 - 2.9=100 HG2 GLU 23 - HB2 GLU 62 OK 28 97 - 29 - 2.9/2737=5, 2746/1.8=4...(13) HG2 GLU 95 - HB2 GLU 62 OK 16 96 - 17 - 2746/1.8=2, 7017/4.6=2...(9) HG2 GLU 37 - HB2 GLU 62 OK 15 99 - 15 - ~1612=3, ~1591=2...(6) HG2 GLU 17 - HB2 GLU 62 poor 7 61 - 12 - 3.0/739=1, 1.8/761=1, ~2743=1 Peak 2740 from cnoeabs.peaks (8.38, 2.02, 28.48 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.93: * H GLU 63 + HB2 GLU 62 OK 93 100 - 93 - 4.6=74, 2747/1.8=39...(6) Peak 2741 from cnoeabs.peaks (8.40, 2.09, 28.48 ppm; 3.94 A): 1 out of 2 assignments used, quality = 0.99: * H GLU 62 + HB3 GLU 62 OK 99 100 - 99 - 4.0=94, 2734/1.8=33...(11) H THR 80 - HB3 GLU 62 OK 13 90 - 14 - 2734/1.8=4, 2724/3.0=3...(6) Peak 2742 from cnoeabs.peaks (4.12, 2.09, 28.48 ppm; 3.98 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 62 + HB3 GLU 62 OK 100 100 - 100 - 3.0=100 HA GLU 104 - HB3 GLU 62 OK 41 99 - 41 - 2735/1.8=9, 4519=8...(14) HA GLU 99 - HB3 GLU 62 OK 11 100 - 10 - 2735/1.8=3, 7014/4.6=2...(4) Peak 2743 from cnoeabs.peaks (2.02, 2.09, 28.48 ppm; 2.84 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLU 62 + HB3 GLU 62 OK 100 100 - 100 - 1.8=100 HB3 LYS 94 - HB3 GLU 62 OK 21 97 - 22 - 2726/3.0=2, 2.9/12253=2...(14) HB2 GLU 35 - HB3 GLU 62 OK 14 96 - 14 - 1537=2, 2726/3.0=2...(5) HB3 GLU 17 - HB3 GLU 62 poor 10 94 - 10 - 2726/3.0=1 QE MET 74 - HB3 GLU 62 lone 3 81 - 4 - HB2 GLN 50 - HB3 GLU 62 lone 3 96 - 3 - HB3 MET 1 - HB3 GLU 62 lone 2 84 - 2 - HB2 GLU 44 - HB3 GLU 62 lone 1 77 - 1 - HB3 GLU 44 - HB3 GLU 62 lone 1 77 - 1 - Peak 2744 from cnoeabs.peaks (2.09, 2.09, 28.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 62 + HB3 GLU 62 OK 100 100 - 100 Peak 2745 from cnoeabs.peaks (2.26, 2.09, 28.48 ppm; 3.45 A): 2 out of 6 assignments used, quality = 1.00: HG3 GLU 62 + HB3 GLU 62 OK 100 100 - 100 - 2.9=100 * HG2 GLU 62 + HB3 GLU 62 OK 100 100 - 100 - 2.9=100 HG2 GLU 23 - HB3 GLU 62 OK 31 97 - 32 - 1.8/1044=5, 2739/1.8=4...(14) HG2 GLU 95 - HB3 GLU 62 OK 14 96 - 15 - 2738/1.8=2, 7017/4.6=2...(6) HG2 GLU 37 - HB3 GLU 62 OK 14 99 - 14 - ~1612=3, ~1591=2...(6) HG2 GLU 17 - HB3 GLU 62 lone 6 61 - 10 - 3.0/2743=2 Peak 2746 from cnoeabs.peaks (2.26, 2.09, 28.48 ppm; 3.45 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 62 + HB3 GLU 62 OK 100 100 - 100 - 2.9=100 HG2 GLU 62 + HB3 GLU 62 OK 100 100 - 100 - 2.9=100 HG2 GLU 23 - HB3 GLU 62 OK 31 97 - 32 - 1.8/1044=5, 2739/1.8=4...(14) HG2 GLU 95 - HB3 GLU 62 OK 14 96 - 15 - 2738/1.8=2, 7017/4.6=2...(6) HG2 GLU 37 - HB3 GLU 62 OK 14 99 - 14 - ~1612=3, ~1591=2...(6) HG2 GLU 17 - HB3 GLU 62 lone 6 61 - 10 - 3.0/2743=2 Peak 2747 from cnoeabs.peaks (8.38, 2.09, 28.48 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.92: * H GLU 63 + HB3 GLU 62 OK 92 100 - 92 - 4.6=71, 2740/1.8=37...(6) Peak 2748 from cnoeabs.peaks (8.40, 2.26, 36.63 ppm; 3.63 A): 2 out of 10 assignments used, quality = 0.97: * H GLU 62 + HG2 GLU 62 OK 82 100 - 82 - 4.9=40, 7006/2.9=23...(10) H GLU 62 + HG3 GLU 62 OK 82 100 - 82 - 4.9=40, 7006/2.9=23...(10) H THR 80 - HG2 GLU 62 lone 8 90 - 9 - 2741/2.9=3, 2734/2.9=3 H THR 80 - HG3 GLU 62 lone 8 90 - 9 - 2741/2.9=3, 2734/2.9=3 H GLU 62 - HG2 GLU 23 poor 8 40 - 20 - 7009=4, 7007/2.9=4...(8) H GLU 62 - HG2 GLU 95 poor 7 66 - 11 - 7009=2, 4.5/7018=2...(6) H GLU 62 - HG2 GLU 37 lone 3 62 - 5 - 7009=1, 4.0/2738=1, 4.0/2745=1 H THR 80 - HG2 GLU 95 lone 1 53 - 1 - H THR 80 - HG2 GLU 37 lone 0 50 - 1 - H THR 80 - HG2 GLU 23 lone 0 31 - 1 - Peak 2749 from cnoeabs.peaks (4.12, 2.26, 36.63 ppm; 3.17 A): 2 out of 15 assignments used, quality = 0.96: * HA GLU 62 + HG2 GLU 62 OK 81 100 - 81 - 4.0=51, 2728/1.8=13...(16) HA GLU 62 + HG3 GLU 62 OK 81 100 - 81 - 4.0=51, 2728/1.8=13...(16) HA GLU 104 - HG2 GLU 62 OK 17 99 - 18 - 2742/2.9=5, 2735/2.9=4...(5) HA GLU 104 - HG3 GLU 62 OK 17 99 - 18 - 2742/2.9=5, 2735/2.9=4...(5) HA GLU 104 - HG2 GLU 95 poor 9 63 - 14 - 4518/2.9=3, ~4313=2...(7) HA GLU 62 - HG2 GLU 23 poor 8 40 - 19 - 2728=4, 2727/2.9=3...(8) HA GLU 104 - HG2 GLU 23 poor 6 38 - 17 - 4518/2.9=3, 4519/2.9=3...(5) HA GLU 62 - HG2 GLU 95 lone 6 66 - 9 - 3.6/7018=2, 2728=2...(5) HA GLU 99 - HG3 GLU 62 lone 5 100 - 5 - 2735/2.9=1, 2742/2.9=1 HA GLU 99 - HG2 GLU 62 lone 5 100 - 5 - 2735/2.9=1, 2742/2.9=1 HA GLU 99 - HG2 GLU 95 lone 3 65 - 5 - 4402/2.9=2, ~7606=1 HA GLU 62 - HG2 GLU 37 lone 3 62 - 5 - 3.0/2739=1, 3.0/2746=1, 2729=1 HA GLU 104 - HG2 GLU 37 lone 1 59 - 2 - HA GLU 99 - HG2 GLU 23 lone 1 39 - 1 - HA GLU 99 - HG2 GLU 37 lone 0 62 - 1 - Peak 2750 from cnoeabs.peaks (2.02, 2.26, 36.63 ppm; 3.02 A): 2 out of 45 assignments used, quality = 1.00: HB2 GLU 62 + HG3 GLU 62 OK 100 100 - 100 - 2.9=100 * HB2 GLU 62 + HG2 GLU 62 OK 100 100 - 100 - 2.9=100 HB3 LYS 94 - HG2 GLU 62 OK 21 97 - 22 - 2743/2.9=3, 2726/4.0=2...(12) HB3 LYS 94 - HG3 GLU 62 OK 21 97 - 22 - 2743/2.9=3, 2726/4.0=2...(12) HB2 GLU 35 - HG2 GLU 62 OK 12 96 - 13 - 2743/2.9=2, 2726/4.0=1...(4) HB2 GLU 35 - HG3 GLU 62 OK 12 96 - 13 - 2743/2.9=2, 2726/4.0=1...(4) HB3 GLU 17 - HG3 GLU 62 OK 10 94 - 11 - 2743/2.9=2, 748/1.8=1 HB3 GLU 17 - HG2 GLU 62 OK 10 94 - 11 - 2743/2.9=2, 748/1.8=1 HB2 GLU 62 - HG2 GLU 23 poor 9 40 - 23 - 2737/2.9=4, 1.8/2746=3...(8) HB2 GLU 62 - HG2 GLU 95 poor 8 66 - 12 - 2739=2, 1.8/2745=1...(5) HB2 GLU 62 - HG2 GLU 37 poor 7 62 - 11 - ~1612=2, 2738=2...(5) HB3 LYS 94 - HG2 GLU 23 poor 6 36 - 17 - ~10465=3, ~12257=3...(5) QE MET 74 - HG2 GLU 37 lone 4 43 - 9 - 10870/3.9=5, 3366/5.0=2 HB3 LYS 94 - HG2 GLU 95 lone 3 61 - 6 - 4207/4.8=5 QE MET 74 - HG2 GLU 95 lone 3 46 - 7 - 3370/1.8=2, 10282/4.1=2 QE MET 74 - HG2 GLU 62 lone 3 81 - 3 - QE MET 74 - HG3 GLU 62 lone 3 81 - 3 - HB2 GLN 50 - HG3 GLU 62 lone 2 96 - 2 - HB2 GLN 50 - HG2 GLU 62 lone 2 96 - 2 - HB2 GLU 35 - HG2 GLU 95 lone 2 59 - 4 - HB2 GLU 35 - HG2 GLU 23 lone 2 35 - 5 - HB3 GLU 17 - HG2 GLU 23 lone 2 34 - 5 - ~10471=2, ~1027=1, ~1019=1 HB3 LYS 94 - HG2 GLU 37 lone 2 57 - 3 - HB3 MET 1 - HG2 GLU 62 lone 1 84 - 2 - HB3 MET 1 - HG3 GLU 62 lone 1 84 - 2 - HB2 GLN 50 - HG2 GLU 95 lone 1 59 - 2 - HB3 GLU 44 - HG2 GLU 62 lone 1 77 - 1 - HB3 GLU 44 - HG3 GLU 62 lone 1 77 - 1 - HB2 GLU 44 - HG2 GLU 62 lone 1 77 - 1 - HB2 GLU 44 - HG3 GLU 62 lone 1 77 - 1 - HB3 MET 1 - HG2 GLU 95 lone 1 49 - 2 - HB3 MET 1 - HG2 GLU 37 lone 1 45 - 2 - HB3 GLU 17 - HG2 GLU 37 lone 1 54 - 1 - HB2 GLU 44 - HG2 GLU 37 lone 1 41 - 2 - HB3 GLU 44 - HG2 GLU 37 lone 1 41 - 2 - HB3 GLU 17 - HG2 GLU 95 lone 1 57 - 1 - HB2 GLU 35 - HG2 GLU 37 lone 1 55 - 1 - HB3 MET 1 - HG2 GLU 23 lone 0 28 - 1 - HB2 GLN 50 - HG2 GLU 37 lone 0 55 - 1 - QE MET 74 - HG2 GLU 23 lone 0 27 - 1 - HB2 GLN 50 - HG2 GLU 23 lone 0 35 - 1 - HB3 GLU 44 - HG2 GLU 95 lone 0 44 - 0 - HB2 GLU 44 - HG2 GLU 95 lone 0 44 - 0 - HB2 GLU 44 - HG2 GLU 23 lone 0 25 - 1 - HB3 GLU 44 - HG2 GLU 23 lone 0 25 - 1 - Peak 2751 from cnoeabs.peaks (2.09, 2.26, 36.63 ppm; 2.50 A): 3 out of 45 assignments used, quality = 0.94: * HB3 GLU 62 + HG2 GLU 62 OK 71 100 - 71 - 2.9=63, 3.0/2728=6...(8) HB3 GLU 62 + HG3 GLU 62 OK 71 100 - 71 - 2.9=63, 3.0/2728=6...(8) HB2 GLU 23 + HG2 GLU 23 OK 30 39 - 76 - 2.9=65, 1.8/1032=8...(12) HB2 GLU 23 - HG2 GLU 62 OK 28 100 - 28 - 1024=5, 1024/1.8=4...(10) HB2 GLU 23 - HG3 GLU 62 OK 28 100 - 28 - 1024=5, 1024/1.8=4...(10) HB2 GLU 23 - HG2 GLU 95 OK 18 65 - 28 - 1024=6, 1.8/1032=3...(11) HB3 GLU 35 - HG3 GLU 62 lone 9 96 - 9 - 2737/2.9=1, 1024=1 HB3 GLU 35 - HG2 GLU 62 lone 9 96 - 9 - 2737/2.9=1, 1024=1 HG3 GLU 104 - HG2 GLU 62 lone 7 94 - 8 - 4543/4.0=2, 2737/2.9=2 HG3 GLU 104 - HG3 GLU 62 lone 7 94 - 8 - 4543/4.0=2, 2737/2.9=2 HB3 GLU 62 - HG2 GLU 23 poor 6 40 - 16 - 1044/1.8=3, 2745=2...(6) HB3 GLU 88 - HG2 GLU 23 poor 6 31 - 18 - 1044/1.8=3, 3883/2.9=3...(5) HB2 GLU 16 - HG2 GLU 23 poor 5 28 - 20 - 1044/1.8=3, ~10471=2...(9) HB3 GLU 62 - HG2 GLU 95 lone 5 66 - 7 - 2745=1 HG3 GLU 104 - HG2 GLU 23 poor 4 34 - 11 - 4546/2.9=2, 1044/1.8=2, ~1045=1 HB3 GLU 62 - HG2 GLU 37 lone 4 62 - 6 - ~1612=1, 2745=1 HB2 GLU 16 - HG2 GLU 95 lone 3 49 - 5 - HB3 GLU 88 - HG2 GLU 62 lone 2 90 - 3 - HB3 GLU 88 - HG3 GLU 62 lone 2 90 - 3 - HB2 GLU 16 - HG2 GLU 62 lone 2 84 - 3 - HB2 GLU 16 - HG3 GLU 62 lone 2 84 - 3 - HB3 LEU 38 - HG2 GLU 37 lone 2 38 - 6 - 3.8/6583=3 HB3 LEU 38 - HG3 GLU 62 lone 2 73 - 3 - 3.8/6583=1 HB3 LEU 38 - HG2 GLU 62 lone 2 73 - 3 - 3.8/6583=1 HG3 GLU 104 - HG2 GLU 95 lone 2 57 - 4 - QE MET 21 - HG2 GLU 62 lone 2 92 - 2 - QE MET 21 - HG3 GLU 62 lone 2 92 - 2 - HB3 GLU 35 - HG2 GLU 95 lone 2 59 - 3 - HB3 GLU 35 - HG2 GLU 23 lone 2 35 - 4 - QE MET 21 - HG2 GLU 95 lone 1 55 - 2 - 8535/4.8=2 HB2 GLU 23 - HG2 GLU 37 lone 1 62 - 2 - QE MET 21 - HG2 GLU 23 lone 1 32 - 4 - HB3 PRO 86 - HG3 GLU 62 lone 1 73 - 1 - HB3 PRO 86 - HG2 GLU 62 lone 1 73 - 1 - HB3 PRO 86 - HG2 GLU 37 lone 1 38 - 2 - HB3 GLU 88 - HG2 GLU 95 lone 1 53 - 2 - HB3 LEU 38 - HG2 GLU 23 lone 1 24 - 4 - HB3 PRO 86 - HG2 GLU 95 lone 1 41 - 2 - QE MET 21 - HG2 GLU 37 lone 1 52 - 1 - HB3 GLU 35 - HG2 GLU 37 lone 0 55 - 1 - HG3 GLU 104 - HG2 GLU 37 lone 0 54 - 1 - HB3 GLU 88 - HG2 GLU 37 lone 0 50 - 1 - HB3 PRO 86 - HG2 GLU 23 lone 0 24 - 2 - HB3 LEU 38 - HG2 GLU 95 lone 0 41 - 1 - HB2 GLU 16 - HG2 GLU 37 lone 0 45 - 0 - Peak 2752 from cnoeabs.peaks (2.26, 2.26, 36.63 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: * HG2 GLU 62 + HG2 GLU 62 OK 100 100 - 100 HG3 GLU 62 + HG3 GLU 62 OK 100 100 - 100 HG2 GLU 37 + HG2 GLU 37 OK 59 59 - 100 HG2 GLU 95 + HG2 GLU 95 OK 59 59 - 100 HG2 GLU 23 - HG2 GLU 23 OK 36 36 - 100 Peak 2753 from cnoeabs.peaks (2.26, 2.26, 36.63 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: HG2 GLU 62 + HG2 GLU 62 OK 100 100 - 100 HG3 GLU 62 + HG3 GLU 62 OK 100 100 - 100 HG2 GLU 37 + HG2 GLU 37 OK 59 59 - 100 HG2 GLU 95 + HG2 GLU 95 OK 59 59 - 100 HG2 GLU 23 - HG2 GLU 23 OK 36 36 - 100 Reference assignment not found: HG3 GLU 62 - HG2 GLU 62 Peak 2754 from cnoeabs.peaks (8.38, 2.26, 36.63 ppm; 3.59 A): 3 out of 5 assignments used, quality = 0.93: * H GLU 63 + HG2 GLU 62 OK 71 100 - 71 - 2747/2.9=23, 2740/2.9=23...(6) H GLU 63 + HG3 GLU 62 OK 71 100 - 71 - 2747/2.9=23, 2740/2.9=23...(6) H GLU 63 + HG2 GLU 95 OK 14 66 - 21 - 7017=6, 7023/1.8=4...(7) H GLU 63 - HG2 GLU 23 poor 6 40 - 14 - 7018=3, 7016/2.9=3...(6) H GLU 63 - HG2 GLU 37 lone 3 62 - 5 - 7018=1 Peak 2755 from cnoeabs.peaks (8.40, 2.26, 36.63 ppm; 3.63 A): 2 out of 10 assignments used, quality = 0.97: H GLU 62 + HG2 GLU 62 OK 82 100 - 82 - 4.9=40, 7006/2.9=23...(10) * H GLU 62 + HG3 GLU 62 OK 82 100 - 82 - 4.9=40, 7006/2.9=23...(10) H THR 80 - HG2 GLU 62 lone 8 90 - 9 - 2741/2.9=3, 2734/2.9=3 H THR 80 - HG3 GLU 62 lone 8 90 - 9 - 2741/2.9=3, 2734/2.9=3 H GLU 62 - HG2 GLU 23 poor 8 40 - 20 - 7009=4, 7007/2.9=4...(8) H GLU 62 - HG2 GLU 95 poor 7 66 - 11 - 7009=2, 4.5/7018=2...(6) H GLU 62 - HG2 GLU 37 lone 3 62 - 5 - 7009=1, 4.0/2738=1, 4.0/2745=1 H THR 80 - HG2 GLU 95 lone 1 53 - 1 - H THR 80 - HG2 GLU 37 lone 0 50 - 1 - H THR 80 - HG2 GLU 23 lone 0 31 - 1 - Peak 2756 from cnoeabs.peaks (4.12, 2.26, 36.63 ppm; 3.17 A): 2 out of 15 assignments used, quality = 0.96: HA GLU 62 + HG2 GLU 62 OK 81 100 - 81 - 4.0=51, 2728/1.8=13...(16) * HA GLU 62 + HG3 GLU 62 OK 81 100 - 81 - 4.0=51, 2728/1.8=13...(16) HA GLU 104 - HG2 GLU 62 OK 17 99 - 18 - 2742/2.9=5, 2735/2.9=4...(5) HA GLU 104 - HG3 GLU 62 OK 17 99 - 18 - 2742/2.9=5, 2735/2.9=4...(5) HA GLU 104 - HG2 GLU 95 poor 9 63 - 14 - 4518/2.9=3, ~4313=2...(7) HA GLU 62 - HG2 GLU 23 poor 8 40 - 19 - 2728=4, 2727/2.9=3...(8) HA GLU 104 - HG2 GLU 23 poor 6 38 - 17 - 4518/2.9=3, 4519/2.9=3...(5) HA GLU 62 - HG2 GLU 95 lone 6 66 - 9 - 3.6/7018=2, 2728=2...(5) HA GLU 99 - HG3 GLU 62 lone 5 100 - 5 - 2735/2.9=1, 2742/2.9=1 HA GLU 99 - HG2 GLU 62 lone 5 100 - 5 - 2735/2.9=1, 2742/2.9=1 HA GLU 99 - HG2 GLU 95 lone 3 65 - 5 - 4402/2.9=2, ~7606=1 HA GLU 62 - HG2 GLU 37 lone 3 62 - 5 - 3.0/2739=1, 3.0/2746=1, 2729=1 HA GLU 104 - HG2 GLU 37 lone 1 59 - 2 - HA GLU 99 - HG2 GLU 23 lone 1 39 - 1 - HA GLU 99 - HG2 GLU 37 lone 0 62 - 1 - Peak 2757 from cnoeabs.peaks (2.02, 2.26, 36.63 ppm; 3.02 A): 2 out of 45 assignments used, quality = 1.00: * HB2 GLU 62 + HG3 GLU 62 OK 100 100 - 100 - 2.9=100 HB2 GLU 62 + HG2 GLU 62 OK 100 100 - 100 - 2.9=100 HB3 LYS 94 - HG2 GLU 62 OK 21 97 - 22 - 2743/2.9=3, 2726/4.0=2...(12) HB3 LYS 94 - HG3 GLU 62 OK 21 97 - 22 - 2743/2.9=3, 2726/4.0=2...(12) HB2 GLU 35 - HG2 GLU 62 OK 12 96 - 13 - 2743/2.9=2, 2726/4.0=1...(4) HB2 GLU 35 - HG3 GLU 62 OK 12 96 - 13 - 2743/2.9=2, 2726/4.0=1...(4) HB3 GLU 17 - HG3 GLU 62 OK 10 94 - 11 - 2743/2.9=2, 748/1.8=1 HB3 GLU 17 - HG2 GLU 62 OK 10 94 - 11 - 2743/2.9=2, 748/1.8=1 HB2 GLU 62 - HG2 GLU 23 poor 9 40 - 23 - 2737/2.9=4, 1.8/2746=3...(8) HB2 GLU 62 - HG2 GLU 95 poor 8 66 - 12 - 2739=2, 1.8/2745=1...(5) HB2 GLU 62 - HG2 GLU 37 poor 7 62 - 11 - ~1612=2, 2738=2...(5) HB3 LYS 94 - HG2 GLU 23 poor 6 36 - 17 - ~10465=3, ~12257=3...(5) QE MET 74 - HG2 GLU 37 lone 4 43 - 9 - 10870/3.9=5, 3366/5.0=2 HB3 LYS 94 - HG2 GLU 95 lone 3 61 - 6 - 4207/4.8=5 QE MET 74 - HG2 GLU 95 lone 3 46 - 7 - 3370/1.8=2, 10282/4.1=2 QE MET 74 - HG2 GLU 62 lone 3 81 - 3 - QE MET 74 - HG3 GLU 62 lone 3 81 - 3 - HB2 GLN 50 - HG3 GLU 62 lone 2 96 - 2 - HB2 GLN 50 - HG2 GLU 62 lone 2 96 - 2 - HB2 GLU 35 - HG2 GLU 95 lone 2 59 - 4 - HB2 GLU 35 - HG2 GLU 23 lone 2 35 - 5 - HB3 GLU 17 - HG2 GLU 23 lone 2 34 - 5 - ~10471=2, ~1027=1, ~1019=1 HB3 LYS 94 - HG2 GLU 37 lone 2 57 - 3 - HB3 MET 1 - HG2 GLU 62 lone 1 84 - 2 - HB3 MET 1 - HG3 GLU 62 lone 1 84 - 2 - HB2 GLN 50 - HG2 GLU 95 lone 1 59 - 2 - HB3 GLU 44 - HG2 GLU 62 lone 1 77 - 1 - HB3 GLU 44 - HG3 GLU 62 lone 1 77 - 1 - HB2 GLU 44 - HG2 GLU 62 lone 1 77 - 1 - HB2 GLU 44 - HG3 GLU 62 lone 1 77 - 1 - HB3 MET 1 - HG2 GLU 95 lone 1 49 - 2 - HB3 MET 1 - HG2 GLU 37 lone 1 45 - 2 - HB3 GLU 17 - HG2 GLU 37 lone 1 54 - 1 - HB2 GLU 44 - HG2 GLU 37 lone 1 41 - 2 - HB3 GLU 44 - HG2 GLU 37 lone 1 41 - 2 - HB3 GLU 17 - HG2 GLU 95 lone 1 57 - 1 - HB2 GLU 35 - HG2 GLU 37 lone 1 55 - 1 - HB3 MET 1 - HG2 GLU 23 lone 0 28 - 1 - HB2 GLN 50 - HG2 GLU 37 lone 0 55 - 1 - QE MET 74 - HG2 GLU 23 lone 0 27 - 1 - HB2 GLN 50 - HG2 GLU 23 lone 0 35 - 1 - HB3 GLU 44 - HG2 GLU 95 lone 0 44 - 0 - HB2 GLU 44 - HG2 GLU 95 lone 0 44 - 0 - HB2 GLU 44 - HG2 GLU 23 lone 0 25 - 1 - HB3 GLU 44 - HG2 GLU 23 lone 0 25 - 1 - Peak 2758 from cnoeabs.peaks (2.09, 2.26, 36.63 ppm; 2.50 A): 3 out of 45 assignments used, quality = 0.94: HB3 GLU 62 + HG2 GLU 62 OK 71 100 - 71 - 2.9=63, 3.0/2728=6...(8) * HB3 GLU 62 + HG3 GLU 62 OK 71 100 - 71 - 2.9=63, 3.0/2728=6...(8) HB2 GLU 23 + HG2 GLU 23 OK 30 39 - 76 - 2.9=65, 1.8/1032=8...(12) HB2 GLU 23 - HG2 GLU 62 OK 28 100 - 28 - 1024=5, 1024/1.8=4...(10) HB2 GLU 23 - HG3 GLU 62 OK 28 100 - 28 - 1024=5, 1024/1.8=4...(10) HB2 GLU 23 - HG2 GLU 95 OK 18 65 - 28 - 1024=6, 1.8/1032=3...(11) HB3 GLU 35 - HG3 GLU 62 lone 9 96 - 9 - 2737/2.9=1, 1024=1 HB3 GLU 35 - HG2 GLU 62 lone 9 96 - 9 - 2737/2.9=1, 1024=1 HG3 GLU 104 - HG2 GLU 62 lone 7 94 - 8 - 4543/4.0=2, 2737/2.9=2 HG3 GLU 104 - HG3 GLU 62 lone 7 94 - 8 - 4543/4.0=2, 2737/2.9=2 HB3 GLU 62 - HG2 GLU 23 poor 6 40 - 16 - 1044/1.8=3, 2745=2...(6) HB3 GLU 88 - HG2 GLU 23 poor 6 31 - 18 - 1044/1.8=3, 3883/2.9=3...(5) HB2 GLU 16 - HG2 GLU 23 poor 5 28 - 20 - 1044/1.8=3, ~10471=2...(9) HB3 GLU 62 - HG2 GLU 95 lone 5 66 - 7 - 2745=1 HG3 GLU 104 - HG2 GLU 23 poor 4 34 - 11 - 4546/2.9=2, 1044/1.8=2, ~1045=1 HB3 GLU 62 - HG2 GLU 37 lone 4 62 - 6 - ~1612=1, 2745=1 HB2 GLU 16 - HG2 GLU 95 lone 3 49 - 5 - HB3 GLU 88 - HG2 GLU 62 lone 2 90 - 3 - HB3 GLU 88 - HG3 GLU 62 lone 2 90 - 3 - HB2 GLU 16 - HG2 GLU 62 lone 2 84 - 3 - HB2 GLU 16 - HG3 GLU 62 lone 2 84 - 3 - HB3 LEU 38 - HG2 GLU 37 lone 2 38 - 6 - 3.8/6583=3 HB3 LEU 38 - HG3 GLU 62 lone 2 73 - 3 - 3.8/6583=1 HB3 LEU 38 - HG2 GLU 62 lone 2 73 - 3 - 3.8/6583=1 HG3 GLU 104 - HG2 GLU 95 lone 2 57 - 4 - QE MET 21 - HG2 GLU 62 lone 2 92 - 2 - QE MET 21 - HG3 GLU 62 lone 2 92 - 2 - HB3 GLU 35 - HG2 GLU 95 lone 2 59 - 3 - HB3 GLU 35 - HG2 GLU 23 lone 2 35 - 4 - QE MET 21 - HG2 GLU 95 lone 1 55 - 2 - 8535/4.8=2 HB2 GLU 23 - HG2 GLU 37 lone 1 62 - 2 - QE MET 21 - HG2 GLU 23 lone 1 32 - 4 - HB3 PRO 86 - HG3 GLU 62 lone 1 73 - 1 - HB3 PRO 86 - HG2 GLU 62 lone 1 73 - 1 - HB3 PRO 86 - HG2 GLU 37 lone 1 38 - 2 - HB3 GLU 88 - HG2 GLU 95 lone 1 53 - 2 - HB3 LEU 38 - HG2 GLU 23 lone 1 24 - 4 - HB3 PRO 86 - HG2 GLU 95 lone 1 41 - 2 - QE MET 21 - HG2 GLU 37 lone 1 52 - 1 - HB3 GLU 35 - HG2 GLU 37 lone 0 55 - 1 - HG3 GLU 104 - HG2 GLU 37 lone 0 54 - 1 - HB3 GLU 88 - HG2 GLU 37 lone 0 50 - 1 - HB3 PRO 86 - HG2 GLU 23 lone 0 24 - 2 - HB3 LEU 38 - HG2 GLU 95 lone 0 41 - 1 - HB2 GLU 16 - HG2 GLU 37 lone 0 45 - 0 - Peak 2759 from cnoeabs.peaks (2.26, 2.26, 36.63 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: HG2 GLU 62 + HG2 GLU 62 OK 100 100 - 100 HG3 GLU 62 + HG3 GLU 62 OK 100 100 - 100 HG2 GLU 37 + HG2 GLU 37 OK 59 59 - 100 HG2 GLU 95 + HG2 GLU 95 OK 59 59 - 100 HG2 GLU 23 - HG2 GLU 23 OK 36 36 - 100 Reference assignment not found: HG2 GLU 62 - HG3 GLU 62 Peak 2760 from cnoeabs.peaks (2.26, 2.26, 36.63 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: HG2 GLU 62 + HG2 GLU 62 OK 100 100 - 100 * HG3 GLU 62 + HG3 GLU 62 OK 100 100 - 100 HG2 GLU 37 + HG2 GLU 37 OK 59 59 - 100 HG2 GLU 95 + HG2 GLU 95 OK 59 59 - 100 HG2 GLU 23 - HG2 GLU 23 OK 36 36 - 100 Peak 2761 from cnoeabs.peaks (8.38, 2.26, 36.63 ppm; 3.59 A): 3 out of 5 assignments used, quality = 0.93: H GLU 63 + HG2 GLU 62 OK 71 100 - 71 - 2747/2.9=23, 2740/2.9=23...(6) * H GLU 63 + HG3 GLU 62 OK 71 100 - 71 - 2747/2.9=23, 2740/2.9=23...(6) H GLU 63 + HG2 GLU 95 OK 14 66 - 21 - 7017=6, 7023/1.8=4...(7) H GLU 63 - HG2 GLU 23 poor 6 40 - 14 - 7018=3, 7016/2.9=3...(6) H GLU 63 - HG2 GLU 37 lone 3 62 - 5 - 7018=1 Peak 2762 from cnoeabs.peaks (8.38, 3.91, 58.27 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 63 + HA GLU 63 OK 100 100 - 100 - 2.9=100 Peak 2763 from cnoeabs.peaks (3.91, 3.91, 58.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 63 + HA GLU 63 OK 100 100 - 100 Peak 2764 from cnoeabs.peaks (2.20, 3.91, 58.27 ppm; 3.78 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLU 63 + HA GLU 63 OK 100 100 - 100 - 3.0=100 HB2 GLU 95 - HA GLU 63 OK 33 97 - 34 - 2781/3.0=5, 2795/3.8=4...(16) HG3 GLU 35 - HA GLU 63 OK 18 100 - 18 - 7020/2.9=3, 2781/3.0=2...(9) HG2 GLU 35 - HA GLU 63 OK 18 100 - 18 - 7020/2.9=3, 2781/3.0=2...(9) HG3 PRO 86 - HA GLU 63 OK 17 100 - 17 - 7031/3.6=4, 2781/3.0=2...(6) HG2 MET 1 - HA GLU 63 lone 10 100 - 9 - 2781/3.0=1, 7020/2.9=1 HG2 GLU 43 - HA GLU 63 lone 7 94 - 7 - 2781/3.0=1 HB3 GLU 75 - HA GLU 63 lone 4 96 - 4 - HG2 GLU 98 - HA GLU 63 lone 2 65 - 3 - Peak 2765 from cnoeabs.peaks (1.78, 3.91, 58.27 ppm; 3.34 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLU 63 + HA GLU 63 OK 100 100 - 100 - 3.0=100 HB2 LYS 66 + HA GLU 63 OK 64 87 - 74 - 1.8/2771=22, 2884=14...(27) HB ILE 56 - HA GLU 63 OK 14 77 - 18 - 3.2/9460=3, 2.9/9460=2...(6) HB3 LYS 82 - HA GLU 63 OK 14 81 - 17 - 7032/3.6=3, 2775/3.0=2...(7) HG3 ARG 46 - HA GLU 63 OK 14 94 - 14 - 4.1/10240=3, 2775/3.0=2...(5) HB VAL 78 - HA GLU 63 OK 14 100 - 13 - 7032/3.6=2, 2775/3.0=2...(5) HG3 ARG 19 - HA GLU 63 lone 5 65 - 7 - Peak 2766 from cnoeabs.peaks (2.29, 3.91, 58.27 ppm; 3.55 A): 2 out of 6 assignments used, quality = 0.96: * HG2 GLU 63 + HA GLU 63 OK 94 100 - 94 - 3.8=79, 1.8/2794=22...(12) HG3 GLU 16 + HA GLU 63 OK 30 100 - 31 - 2787=7, 2786/2.9=7...(6) HB2 GLU 48 - HA GLU 63 OK 17 100 - 17 - 7033/3.6=3, 2776/3.0=3...(6) HB2 TYR 41 - HA GLU 63 OK 12 61 - 20 - 1.8/1892=2, ~10749=2...(10) HB2 TYR 4 - HA GLU 63 lone 8 99 - 7 - 2783/3.0=1, 2776/3.0=1...(4) HD3 ARG 81 - HA GLU 63 lone 6 84 - 7 - 7033/3.6=2, 7022/2.9=1...(4) Peak 2767 from cnoeabs.peaks (2.52, 3.91, 58.27 ppm; 3.74 A): 1 out of 8 assignments used, quality = 0.98: * HG3 GLU 63 + HA GLU 63 OK 98 100 - 98 - 3.8=92, 2793/2.9=30...(15) HB2 ASP 61 - HA GLU 63 OK 30 98 - 31 - 4.4/10741=9, 7023/2.9=7...(8) HG3 GLU 95 - HA GLU 63 OK 29 92 - 32 - 2777/3.0=5, 2.9/2764=4...(13) HG2 MET 74 - HA GLU 63 OK 25 87 - 29 - 1.8/10235=8, 2777/3.0=4...(10) HB3 ASP 36 - HA GLU 63 OK 14 94 - 14 - 7023/2.9=2, 2777/3.0=2...(8) HB2 ASP 36 - HA GLU 63 OK 13 92 - 14 - 7023/2.9=2, 2777/3.0=2...(8) HB3 ASP 87 - HA GLU 63 lone 2 65 - 3 - HB2 ASP 87 - HA GLU 63 lone 2 65 - 3 - Peak 2768 from cnoeabs.peaks (7.72, 3.91, 58.27 ppm; 4.25 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 64 + HA GLU 63 OK 100 100 - 100 - 3.6=100 H ASN 60 + HA GLU 63 OK 46 84 - 56 - 9413/3.0=12, 10722=10...(11) H SER 49 - HA GLU 63 OK 31 96 - 32 - 2778/3.0=5, 2785/3.0=5...(8) H ALA 25 - HA GLU 63 OK 22 97 - 22 - 7024/2.9=4, 2785/3.0=4...(8) Peak 2769 from cnoeabs.peaks (7.80, 3.91, 58.27 ppm; 4.02 A): 4 out of 6 assignments used, quality = 0.88: * H LYS 66 + HA GLU 63 OK 81 100 - 81 - 7061=30, 3.0/10240=18...(15) H SER 9 + HA GLU 63 OK 18 94 - 19 - 6110=3, 4.1/10745=3...(6) H GLU 28 + HA GLU 63 OK 11 99 - 11 - 7042/3.6=4, 2897/2771=1...(4) H LYS 20 + HA GLU 63 OK 10 92 - 11 - 2885/2884=1, 2897/2771=1...(4) H GLU 99 - HA GLU 63 lone 8 96 - 8 - 7042/3.6=2, ~7014=1 HE ARG 30 - HA GLU 63 lone 3 84 - 3 - Peak 2770 from cnoeabs.peaks (1.77, 3.91, 58.27 ppm; 3.29 A): 2 out of 6 assignments used, quality = 0.96: HB3 GLU 63 + HA GLU 63 OK 87 87 - 100 - 3.0=100 * HB2 LYS 66 + HA GLU 63 OK 72 100 - 73 - 1.8/2771=21, 2884=18...(26) HB ILE 56 - HA GLU 63 OK 17 100 - 17 - 3.2/9460=2, 2.9/9460=2...(5) HB3 LYS 82 - HA GLU 63 OK 16 100 - 16 - 7032/3.6=2, ~10748=1...(4) HB VAL 78 - HA GLU 63 poor 9 81 - 12 - 7032/3.6=2, 7021/2.9=1 HG3 ARG 19 - HA GLU 63 lone 7 98 - 8 - Peak 2771 from cnoeabs.peaks (1.86, 3.91, 58.27 ppm; 3.65 A): 1 out of 7 assignments used, quality = 0.79: * HB3 LYS 66 + HA GLU 63 OK 79 100 - 79 - 2896=26, 1.8/2884=21...(24) HB3 LYS 39 - HA GLU 63 lone 8 100 - 8 - ~10576=1, ~10748=1...(4) HB3 LYS 68 - HA GLU 63 lone 7 92 - 8 - 7070/7061=1, 7087/7080=1 HB3 GLU 104 - HA GLU 63 lone 6 94 - 6 - ~7014=2, 1.8/10307=1 HB2 LYS 12 - HA GLU 63 lone 5 100 - 5 - 2888/2884=1 HB3 LYS 12 - HA GLU 63 lone 5 99 - 5 - 2888/2884=1 HB VAL 5 - HA GLU 63 lone 2 100 - 2 - Peak 2772 from cnoeabs.peaks (8.38, 2.20, 29.93 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.88: * H GLU 63 + HB2 GLU 63 OK 88 100 - 88 - 4.0=62, 2793/3.0=26...(11) Peak 2773 from cnoeabs.peaks (3.91, 2.20, 29.93 ppm; 4.14 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 63 + HB2 GLU 63 OK 100 100 - 100 - 3.0=100 HA TYR 41 - HB2 GLU 63 OK 27 84 - 32 - 2780/1.8=6, 2794/3.0=4...(13) HA ALA 89 - HB2 GLU 63 OK 19 84 - 23 - 2780/1.8=5, 7019/4.0=3...(8) HB3 SER 9 - HB2 GLU 63 OK 15 87 - 17 - 2780/1.8=3, 2794/3.0=2...(7) HB2 SER 85 - HB2 GLU 63 OK 14 90 - 16 - 2780/1.8=3, 2794/3.0=2...(6) Peak 2774 from cnoeabs.peaks (2.20, 2.20, 29.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 63 + HB2 GLU 63 OK 100 100 - 100 Peak 2775 from cnoeabs.peaks (1.78, 2.20, 29.93 ppm; 3.49 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLU 63 + HB2 GLU 63 OK 100 100 - 100 - 1.8=100 HB2 LYS 66 + HB2 GLU 63 OK 52 87 - 60 - 2884/3.0=11, ~2771=11...(19) HB3 LYS 82 - HB2 GLU 63 OK 16 81 - 20 - 7032/4.6=2, ~10748=2...(13) HG3 ARG 46 - HB2 GLU 63 OK 14 94 - 15 - ~2091=2, 2765/3.0=2...(8) HB VAL 78 - HB2 GLU 63 OK 14 100 - 14 - 7032/4.6=2, 2765/3.0=2...(7) HB ILE 56 - HB2 GLU 63 OK 14 77 - 18 - 3.2/8308=2, 2765/3.0=2...(9) HG3 ARG 19 - HB2 GLU 63 lone 3 65 - 5 - Peak 2776 from cnoeabs.peaks (2.29, 2.20, 29.93 ppm; 3.11 A): 1 out of 6 assignments used, quality = 1.00: * HG2 GLU 63 + HB2 GLU 63 OK 100 100 - 100 - 3.0=100 HG3 GLU 16 - HB2 GLU 63 OK 30 100 - 30 - 2788=6, 2783/1.8=5...(8) HB2 GLU 48 - HB2 GLU 63 OK 16 100 - 16 - 2783/1.8=3, 2766/3.0=2...(6) HB2 TYR 41 - HB2 GLU 63 poor 9 61 - 15 - 3.0/2773=3, 2783/1.8=2...(6) HB2 TYR 4 - HB2 GLU 63 lone 8 99 - 7 - 2783/1.8=1 HD3 ARG 81 - HB2 GLU 63 lone 7 84 - 8 - 2783/1.8=1 Peak 2777 from cnoeabs.peaks (2.52, 2.20, 29.93 ppm; 3.45 A): 1 out of 8 assignments used, quality = 1.00: * HG3 GLU 63 + HB2 GLU 63 OK 100 100 - 100 - 3.0=100 HG3 GLU 95 - HB2 GLU 63 OK 31 92 - 34 - 4309=6, 2784/1.8=4...(13) HG2 MET 74 - HB2 GLU 63 OK 23 87 - 26 - 1.8/10236=5, 2784/1.8=4...(11) HB2 ASP 61 - HB2 GLU 63 OK 17 98 - 18 - 7023/4.0=4, 7034/4.6=4...(5) HB3 ASP 36 - HB2 GLU 63 OK 12 94 - 12 - 2784/1.8=2, 2767/3.0=2...(5) HB2 ASP 36 - HB2 GLU 63 OK 11 92 - 12 - 2784/1.8=2, 2767/3.0=2...(5) HB3 ASP 87 - HB2 GLU 63 lone 2 65 - 3 - 4.0/7380=1 HB2 ASP 87 - HB2 GLU 63 lone 2 65 - 3 - 4.0/7380=1 Peak 2778 from cnoeabs.peaks (7.72, 2.20, 29.93 ppm; 4.01 A): 3 out of 4 assignments used, quality = 0.95: * H LEU 64 + HB2 GLU 63 OK 86 100 - 86 - 4.6=65, 7029/4.0=27...(9) H ASN 60 + HB2 GLU 63 OK 47 84 - 57 - 9413=16, 9414/1.8=11...(9) H SER 49 + HB2 GLU 63 OK 28 96 - 29 - 2785/1.8=6, 6799/3.0=5...(9) H ALA 25 - HB2 GLU 63 OK 17 97 - 17 - 2785/1.8=4, 7024/4.0=3...(6) Peak 2779 from cnoeabs.peaks (8.38, 1.78, 29.93 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 63 + HB3 GLU 63 OK 100 100 - 100 - 4.0=100 Peak 2780 from cnoeabs.peaks (3.91, 1.78, 29.93 ppm; 3.89 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 63 + HB3 GLU 63 OK 100 100 - 100 - 3.0=100 HA TYR 41 - HB3 GLU 63 OK 23 84 - 28 - 2773/1.8=5, 2794/3.0=3...(10) HA ALA 89 - HB3 GLU 63 OK 19 84 - 22 - 2773/1.8=4, 7019/4.0=3...(6) HB3 SER 9 - HB3 GLU 63 OK 13 87 - 15 - 2773/1.8=3, 2794/3.0=2...(6) HB2 SER 85 - HB3 GLU 63 OK 12 90 - 14 - 2773/1.8=3, 2794/3.0=2...(6) Peak 2781 from cnoeabs.peaks (2.20, 1.78, 29.93 ppm; 3.29 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLU 63 + HB3 GLU 63 OK 100 100 - 100 - 1.8=100 HB2 GLU 95 - HB3 GLU 63 OK 30 97 - 31 - 2795/3.0=4, 2764/3.0=3...(16) HG3 PRO 86 - HB3 GLU 63 OK 14 100 - 14 - 7031/4.6=2, 2764/3.0=2...(7) HG2 GLU 35 - HB3 GLU 63 OK 14 100 - 14 - 2764/3.0=2, 2795/3.0=2...(5) HG3 GLU 35 - HB3 GLU 63 OK 14 100 - 14 - 2764/3.0=2, 2795/3.0=2...(5) HG2 MET 1 - HB3 GLU 63 lone 8 100 - 8 - 2764/3.0=1 HG2 GLU 43 - HB3 GLU 63 lone 6 94 - 6 - HB3 GLU 75 - HB3 GLU 63 lone 4 96 - 4 - HG2 GLU 98 - HB3 GLU 63 lone 1 65 - 1 - Peak 2782 from cnoeabs.peaks (1.78, 1.78, 29.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 63 + HB3 GLU 63 OK 100 100 - 100 Peak 2783 from cnoeabs.peaks (2.29, 1.78, 29.93 ppm; 3.76 A): 1 out of 6 assignments used, quality = 1.00: * HG2 GLU 63 + HB3 GLU 63 OK 100 100 - 100 - 3.0=100 HG3 GLU 16 - HB3 GLU 63 OK 42 100 - 42 - 2789=8, 2776/1.8=8...(13) HB2 GLU 48 - HB3 GLU 63 OK 23 100 - 23 - 2776/1.8=4, 2766/3.0=3...(7) HB2 TYR 41 - HB3 GLU 63 OK 13 61 - 21 - 3.0/2780=4, ~2773=3...(11) HB2 TYR 4 - HB3 GLU 63 OK 11 99 - 11 - 2776/1.8=2, 2766/3.0=1...(4) HD3 ARG 81 - HB3 GLU 63 OK 11 84 - 13 - 2776/1.8=2, 7033/4.6=1...(5) Peak 2784 from cnoeabs.peaks (2.52, 1.78, 29.93 ppm; 4.01 A): 1 out of 8 assignments used, quality = 1.00: * HG3 GLU 63 + HB3 GLU 63 OK 100 100 - 100 - 3.0=100 HG3 GLU 95 - HB3 GLU 63 OK 35 92 - 38 - 2777/1.8=7, 2.9/2781=6...(15) HG2 MET 74 - HB3 GLU 63 OK 30 87 - 34 - ~10235=5, 2777/1.8=5...(12) HB2 ASP 61 - HB3 GLU 63 OK 26 98 - 27 - 7023/4.0=6, 7034/4.6=5...(8) HB3 ASP 36 - HB3 GLU 63 OK 15 94 - 15 - 2777/1.8=3, 2767/3.0=2...(8) HB2 ASP 36 - HB3 GLU 63 OK 14 92 - 15 - 2777/1.8=3, 2767/3.0=2...(8) HB3 ASP 87 - HB3 GLU 63 lone 2 65 - 3 - HB2 ASP 87 - HB3 GLU 63 lone 2 65 - 3 - Peak 2785 from cnoeabs.peaks (7.72, 1.78, 29.93 ppm; 4.01 A): 2 out of 4 assignments used, quality = 0.95: * H LEU 64 + HB3 GLU 63 OK 89 100 - 89 - 4.6=65, 7029/4.0=27...(15) H ASN 60 + HB3 GLU 63 OK 54 84 - 64 - 9414=14, 9413/1.8=14...(10) H SER 49 - HB3 GLU 63 OK 30 96 - 31 - 2778/1.8=6, 6799/3.0=5...(9) H ALA 25 - HB3 GLU 63 OK 21 97 - 21 - 2778/1.8=4, 7024/4.0=3...(6) Peak 2786 from cnoeabs.peaks (8.38, 2.29, 36.00 ppm; 3.92 A): 2 out of 2 assignments used, quality = 0.95: * H GLU 63 + HG2 GLU 63 OK 93 100 - 93 - 4.8=55, 2793/1.8=42...(13) H GLU 63 + HG3 GLU 16 OK 34 98 - 35 - 7022=10, 2.9/2766=6...(8) Peak 2787 from cnoeabs.peaks (3.91, 2.29, 36.00 ppm; 3.85 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 63 + HG2 GLU 63 OK 100 100 - 100 - 3.8=100 HA GLU 63 - HG3 GLU 16 OK 35 98 - 36 - 2766=9, 2.9/2786=8...(7) HA TYR 41 - HG2 GLU 63 OK 19 84 - 23 - 2794/1.8=4, 2773/3.0=4...(4) HA ALA 89 - HG2 GLU 63 OK 15 84 - 18 - 2794/1.8=4, 2780/3.0=3...(6) HB2 SER 85 - HG2 GLU 63 poor 9 90 - 10 - 2794/1.8=2, 2773/3.0=2...(5) HB3 SER 9 - HG2 GLU 63 poor 9 87 - 11 - 2773/3.0=2, 2780/3.0=2...(4) HA TYR 41 - HG3 GLU 16 lone 4 80 - 6 - HB2 SER 85 - HG3 GLU 16 lone 3 85 - 4 - 9869/3.0=1 HA ALA 89 - HG3 GLU 16 lone 3 80 - 4 - HB3 SER 9 - HG3 GLU 16 lone 2 83 - 3 - Peak 2788 from cnoeabs.peaks (2.20, 2.29, 36.00 ppm; 2.59 A): 3 out of 18 assignments used, quality = 0.83: * HB2 GLU 63 + HG2 GLU 63 OK 74 100 - 74 - 3.0=65, 3.0/2766=8...(6) HB2 GLU 63 + HG3 GLU 16 OK 21 98 - 21 - 2776=5, 1.8/2783=3...(6) HB2 GLU 95 + HG2 GLU 63 OK 17 97 - 18 - 2795/1.8=4, 1.8/721=3...(6) HB2 GLU 95 - HG3 GLU 16 lone 7 94 - 8 - 1.8/721=1, 4288/3.0=1 HG3 GLU 35 - HG2 GLU 63 lone 7 100 - 7 - 2795/1.8=1, 2781/3.0=1 HG2 GLU 35 - HG2 GLU 63 lone 7 100 - 7 - 2795/1.8=1, 2781/3.0=1 HG2 GLU 35 - HG3 GLU 16 lone 6 98 - 6 - 2.9/701=1 HG3 GLU 35 - HG3 GLU 16 lone 6 98 - 6 - 2.9/701=1 HG2 GLU 43 - HG3 GLU 16 lone 6 90 - 6 - HG3 PRO 86 - HG2 GLU 63 lone 6 100 - 6 - 2781/3.0=1, 2795/1.8=1 HB3 GLU 75 - HG3 GLU 16 lone 4 92 - 4 - HG2 MET 1 - HG2 GLU 63 lone 3 100 - 3 - HG2 GLU 43 - HG2 GLU 63 lone 3 94 - 3 - HB3 GLU 75 - HG2 GLU 63 lone 2 96 - 2 - HG3 PRO 86 - HG3 GLU 16 lone 1 98 - 1 - HG2 MET 1 - HG3 GLU 16 lone 1 98 - 1 - HG2 GLU 98 - HG2 GLU 63 lone 0 65 - 1 - HG2 GLU 98 - HG3 GLU 16 lone 0 61 - 0 - Peak 2789 from cnoeabs.peaks (1.78, 2.29, 36.00 ppm; 3.72 A): 1 out of 14 assignments used, quality = 1.00: * HB3 GLU 63 + HG2 GLU 63 OK 100 100 - 100 - 3.0=100 HB3 GLU 63 - HG3 GLU 16 OK 41 98 - 43 - 2783=10, 1.8/2776=8...(13) HB2 LYS 66 - HG2 GLU 63 OK 38 87 - 44 - 2884/3.8=10, 2775/3.0=7...(16) HB3 LYS 82 - HG2 GLU 63 OK 14 81 - 18 - 2796/1.8=2, 2775/3.0=2...(9) HG3 ARG 46 - HG2 GLU 63 OK 13 94 - 14 - 2796/1.8=2, 2775/3.0=2...(8) HB VAL 78 - HG2 GLU 63 OK 13 100 - 13 - 2796/1.8=2, 2775/3.0=2...(6) HB ILE 56 - HG2 GLU 63 OK 13 77 - 16 - 2796/1.8=2, 2775/3.0=2...(7) HG3 ARG 46 - HG3 GLU 16 poor 9 90 - 10 - 2095/5.1=3, 4.9/718=2...(4) HB2 LYS 66 - HG3 GLU 16 lone 4 83 - 5 - 2884/2766=1 HG3 ARG 19 - HG2 GLU 63 lone 3 65 - 4 - HB3 LYS 82 - HG3 GLU 16 lone 3 76 - 3 - HB VAL 78 - HG3 GLU 16 lone 3 98 - 3 - HB ILE 56 - HG3 GLU 16 lone 2 73 - 2 - HG3 ARG 19 - HG3 GLU 16 lone 1 61 - 1 - Peak 2790 from cnoeabs.peaks (2.29, 2.29, 36.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 63 + HG2 GLU 63 OK 100 100 - 100 HG3 GLU 16 + HG3 GLU 16 OK 97 97 - 100 Peak 2791 from cnoeabs.peaks (2.52, 2.29, 36.00 ppm; 3.00 A): 1 out of 16 assignments used, quality = 1.00: * HG3 GLU 63 + HG2 GLU 63 OK 100 100 - 100 - 1.8=100 HG3 GLU 63 - HG3 GLU 16 OK 29 98 - 29 - 2797=8, 3.0/2776=4...(12) HG3 GLU 95 - HG2 GLU 63 OK 20 92 - 22 - 2777/3.0=3, 2.9/2788=3...(11) HG2 MET 74 - HG2 GLU 63 OK 14 87 - 16 - 2777/3.0=2, 2784/3.0=2...(7) HB2 ASP 61 - HG2 GLU 63 OK 11 98 - 12 - 7023/4.8=2, 2767/3.8=2...(6) HG3 GLU 95 - HG3 GLU 16 lone 8 88 - 9 - 2.9/721=1, 4310/3.0=1 HB3 ASP 36 - HG2 GLU 63 lone 6 94 - 7 - 2777/3.0=1, 2784/3.0=1 HB2 ASP 36 - HG2 GLU 63 lone 6 92 - 7 - 2777/3.0=1, 2784/3.0=1 HG2 MET 74 - HG3 GLU 16 lone 5 83 - 6 - HB2 ASP 61 - HG3 GLU 16 lone 2 95 - 2 - HB3 ASP 87 - HG2 GLU 63 lone 1 65 - 1 - HB2 ASP 87 - HG2 GLU 63 lone 1 65 - 1 - HB3 ASP 36 - HG3 GLU 16 lone 1 90 - 1 - HB2 ASP 36 - HG3 GLU 16 lone 1 88 - 1 - HB2 ASP 87 - HG3 GLU 16 lone 0 61 - 0 - HB3 ASP 87 - HG3 GLU 16 lone 0 61 - 0 - Peak 2792 from cnoeabs.peaks (7.72, 2.29, 36.00 ppm; 4.66 A): 4 out of 8 assignments used, quality = 0.97: * H LEU 64 + HG2 GLU 63 OK 81 100 - 81 - 7029/4.8=29, 7031/3.0=22...(13) H ASN 60 + HG2 GLU 63 OK 56 84 - 67 - 9412=14, 9413/3.0=14...(10) H SER 49 + HG3 GLU 16 OK 46 92 - 50 - 6801/1.8=12, 6799=10...(12) H SER 49 + HG2 GLU 63 OK 42 96 - 44 - 6799=8, 2799/1.8=6...(12) H LEU 64 - HG3 GLU 16 OK 36 98 - 37 - 7033=9, 4.6/2786=7...(8) H ALA 25 - HG2 GLU 63 OK 21 97 - 21 - 2785/3.0=4, 2799/1.8=4...(6) H ASN 60 - HG3 GLU 16 OK 17 80 - 21 - 9412=4, 5.7/9426=2...(9) H ALA 25 - HG3 GLU 16 lone 7 94 - 7 - 6396/8479=1 Peak 2793 from cnoeabs.peaks (8.38, 2.52, 36.00 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.84: * H GLU 63 + HG3 GLU 63 OK 84 100 - 84 - 4.8=41, 2772/3.0=28...(12) Peak 2794 from cnoeabs.peaks (3.91, 2.52, 36.00 ppm; 3.85 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 63 + HG3 GLU 63 OK 100 100 - 100 - 3.8=100 HA TYR 41 - HG3 GLU 63 OK 17 84 - 20 - 2773/3.0=4, 2780/3.0=4...(7) HA ALA 89 - HG3 GLU 63 OK 15 84 - 18 - 2780/3.0=3, 2773/3.0=3...(7) HB2 SER 85 - HG3 GLU 63 lone 9 90 - 9 - 2773/3.0=2, 2780/3.0=2...(5) HB3 SER 9 - HG3 GLU 63 lone 8 87 - 9 - 2773/3.0=2, 2780/3.0=2...(4) Peak 2795 from cnoeabs.peaks (2.20, 2.52, 36.00 ppm; 3.25 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLU 63 + HG3 GLU 63 OK 100 100 - 100 - 3.0=100 HB2 GLU 95 - HG3 GLU 63 OK 29 97 - 31 - 2788/1.8=4, 4290=4...(15) HG3 GLU 35 - HG3 GLU 63 OK 11 100 - 11 - 2781/3.0=2, 2788/1.8=2...(5) HG2 GLU 35 - HG3 GLU 63 OK 11 100 - 11 - 2781/3.0=2, 2788/1.8=2...(5) HG3 PRO 86 - HG3 GLU 63 lone 9 100 - 9 - 2781/3.0=2, 2788/1.8=1 HG2 MET 1 - HG3 GLU 63 lone 5 100 - 5 - 2781/3.0=1 HG2 GLU 43 - HG3 GLU 63 lone 4 94 - 4 - HB3 GLU 75 - HG3 GLU 63 lone 3 96 - 3 - HG2 GLU 98 - HG3 GLU 63 lone 1 65 - 1 - Peak 2796 from cnoeabs.peaks (1.78, 2.52, 36.00 ppm; 3.88 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 63 + HG3 GLU 63 OK 100 100 - 100 - 3.0=100 HB2 LYS 66 - HG3 GLU 63 OK 37 87 - 43 - 2884/3.8=11, 2775/3.0=8...(15) HG3 ARG 46 - HG3 GLU 63 OK 14 94 - 14 - 2775/3.0=2, 2789/1.8=2...(8) HB3 LYS 82 - HG3 GLU 63 OK 13 81 - 16 - 2775/3.0=2, 2789/1.8=2...(8) HB VAL 78 - HG3 GLU 63 OK 13 100 - 13 - 2775/3.0=2, 2789/1.8=2...(6) HB ILE 56 - HG3 GLU 63 OK 12 77 - 16 - 2775/3.0=2, 2789/1.8=2...(6) HG3 ARG 19 - HG3 GLU 63 lone 3 65 - 4 - Peak 2797 from cnoeabs.peaks (2.29, 2.52, 36.00 ppm; 2.75 A): 1 out of 6 assignments used, quality = 1.00: * HG2 GLU 63 + HG3 GLU 63 OK 100 100 - 100 - 1.8=100 HG3 GLU 16 - HG3 GLU 63 OK 23 100 - 24 - 2791=5, 2776/3.0=3...(10) HB2 GLU 48 - HG3 GLU 63 lone 10 100 - 10 - 2776/3.0=2, 2783/3.0=2...(4) HB2 TYR 41 - HG3 GLU 63 lone 5 61 - 9 - 3.0/2794=2, 2776/3.0=1 HD3 ARG 81 - HG3 GLU 63 lone 5 84 - 6 - HB2 TYR 4 - HG3 GLU 63 lone 5 99 - 5 - Peak 2798 from cnoeabs.peaks (2.52, 2.52, 36.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 63 + HG3 GLU 63 OK 100 100 - 100 Peak 2799 from cnoeabs.peaks (7.72, 2.52, 36.00 ppm; 4.83 A): 3 out of 4 assignments used, quality = 0.95: * H LEU 64 + HG3 GLU 63 OK 83 100 - 83 - 4.6/2793=32, 3.6/2794=25...(10) H ASN 60 + HG3 GLU 63 OK 59 84 - 71 - 5.7/9466=16, 9413/3.0=14...(12) H SER 49 + HG3 GLU 63 OK 34 96 - 35 - 6799/1.8=8, 2778/3.0=6...(8) H ALA 25 - HG3 GLU 63 OK 21 97 - 21 - 2785/3.0=4, 2778/3.0=4...(7) Peak 2800 from cnoeabs.peaks (7.72, 3.75, 58.94 ppm; 3.59 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.0=100 H ALA 25 - HA LEU 64 OK 37 97 - 39 - 2818/3.0=6, 2810/3.0=6...(14) H SER 49 - HA LEU 64 OK 19 96 - 20 - 2818/3.0=4, 2810/3.0=4...(8) H ASN 60 - HA LEU 64 OK 16 84 - 19 - 2818/3.0=3, 2810/3.0=3...(8) Peak 2801 from cnoeabs.peaks (3.75, 3.75, 58.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + HA LEU 64 OK 100 100 - 100 Peak 2802 from cnoeabs.peaks (2.11, 3.75, 58.94 ppm; 3.56 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.0=100 HB VAL 83 - HA LEU 64 OK 45 100 - 45 - 2.1/9476=10, 2820/3.0=5...(15) HB2 PRO 86 - HA LEU 64 OK 26 97 - 27 - 2820/3.0=3, 7036/3.0=3...(11) HB3 PRO 86 - HA LEU 64 OK 25 96 - 26 - 2820/3.0=3, 7036/3.0=3...(10) HB3 GLU 69 - HA LEU 64 OK 13 81 - 16 - 4.0/2807=3, 2820/3.0=1...(4) HB2 GLU 69 - HA LEU 64 OK 13 81 - 16 - 4.0/2807=3, 2820/3.0=1...(4) HG2 GLU 69 - HA LEU 64 lone 8 81 - 10 - 5.1/2807=2 HG3 GLU 37 - HA LEU 64 lone 7 100 - 7 - HB3 GLU 37 - HA LEU 64 lone 6 84 - 7 - QE MET 21 - HA LEU 64 lone 6 81 - 7 - HG3 GLU 104 - HA LEU 64 lone 4 77 - 6 - 7049/3.6=2 Peak 2803 from cnoeabs.peaks (1.49, 3.75, 58.94 ppm; 3.20 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.0=100 HG LEU 64 + HA LEU 64 OK 78 92 - 85 - 4.3=42, 2.1/2843=31...(19) HG3 LYS 66 - HA LEU 64 OK 37 100 - 37 - 4.8/7063=9, 7037/3.0=4...(14) HG2 LYS 66 - HA LEU 64 OK 37 100 - 37 - 4.8/7063=9, 7037/3.0=4...(14) HG LEU 57 - HA LEU 64 lone 8 90 - 9 - HB2 ARG 91 - HA LEU 64 lone 6 99 - 6 - HG3 LYS 24 - HA LEU 64 lone 4 65 - 6 - ~1094=1, 1105/3.0=1 HG2 LYS 47 - HA LEU 64 lone 3 100 - 3 - HG2 LYS 73 - HA LEU 64 lone 3 100 - 3 - HG3 LYS 13 - HA LEU 64 lone 2 97 - 2 - HG3 LYS 33 - HA LEU 64 lone 1 81 - 1 - Peak 2804 from cnoeabs.peaks (1.48, 3.75, 58.94 ppm; 3.20 A): 2 out of 12 assignments used, quality = 0.99: HB3 LEU 64 + HA LEU 64 OK 92 92 - 100 - 3.0=100 * HG LEU 64 + HA LEU 64 OK 86 100 - 86 - 4.3=42, 2.1/2843=31...(21) HG2 LYS 66 - HA LEU 64 OK 32 90 - 36 - 4.8/7063=9, 3.0/10759=4...(14) HG3 LYS 66 - HA LEU 64 OK 30 84 - 36 - 4.8/7063=9, 3.0/10759=4...(14) HB2 ARG 91 - HA LEU 64 lone 6 98 - 6 - HD3 LYS 40 - HA LEU 64 lone 3 77 - 4 - HD2 LYS 40 - HA LEU 64 lone 3 73 - 4 - HG3 LYS 53 - HA LEU 64 lone 2 87 - 3 - HG2 LYS 47 - HA LEU 64 lone 2 90 - 3 - HG2 LYS 73 - HA LEU 64 lone 2 87 - 2 - HG2 LYS 53 - HA LEU 64 lone 2 70 - 2 - HG3 LYS 13 - HA LEU 64 lone 2 70 - 2 - Peak 2805 from cnoeabs.peaks (0.86, 3.75, 58.94 ppm; 3.91 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + HA LEU 64 OK 100 100 - 100 - 4.0=94, 2.1/2843=42...(22) QD1 LEU 103 - HA LEU 64 OK 42 100 - 42 - 2835=8, 2815/3.0=8...(7) QD1 LEU 38 - HA LEU 64 OK 29 100 - 29 - 2815/3.0=6, 2823/3.0=6...(6) Peak 2806 from cnoeabs.peaks (0.74, 3.75, 58.94 ppm; 3.13 A): 6 out of 9 assignments used, quality = 0.94: * QD1 LEU 64 + HA LEU 64 OK 85 100 - 85 - 4.0=48, 2.1/2827=24...(21) QG1 VAL 78 + HA LEU 64 OK 33 99 - 33 - 10906/4.0=13, 2824/3.0=4...(8) HG13 ILE 93 + HA LEU 64 OK 13 100 - 13 - 2816/3.0=2, 2824/3.0=2...(6) HG3 ARG 81 + HA LEU 64 OK 12 100 - 12 - 2824/3.0=2, 2816/3.0=2...(6) QG2 ILE 93 + HA LEU 64 OK 11 94 - 12 - 10319/3.0=2, 2824/3.0=2...(5) QD2 LEU 27 + HA LEU 64 OK 10 87 - 12 - 7040/3.0=2, 7053/3.6=1...(5) QG1 VAL 5 - HA LEU 64 lone 4 77 - 5 - HG13 ILE 15 - HA LEU 64 lone 2 84 - 3 - QD1 ILE 15 - HA LEU 64 lone 2 65 - 3 - Peak 2807 from cnoeabs.peaks (7.92, 3.75, 58.94 ppm; 4.44 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 65 + HA LEU 64 OK 100 100 - 100 - 3.6=100 H GLN 72 - HA LEU 64 OK 36 87 - 42 - 2817/3.0=8, 2825/3.0=8...(10) H GLU 69 - HA LEU 64 OK 34 65 - 52 - 4.6/7099=26, 2825/3.0=5...(14) Peak 2808 from cnoeabs.peaks (8.48, 3.75, 58.94 ppm; 4.62 A): 4 out of 6 assignments used, quality = 0.94: * H ALA 67 + HA LEU 64 OK 92 100 - 92 - 7081=50, 2.9/2981=41...(15) H VAL 32 + HA LEU 64 OK 14 100 - 14 - 7058/3.6=4, 2982/2981=3...(4) H ARG 79 + HA LEU 64 OK 11 61 - 18 - 4.3/2806=6, 4.4/10759=4...(4) H VAL 54 + HA LEU 64 OK 11 92 - 12 - 7058/3.6=4, 7103/7099=2...(4) H LYS 53 - HA LEU 64 lone 7 84 - 8 - 7058/3.6=2, 7103/7099=1 H THR 31 - HA LEU 64 lone 4 73 - 6 - 7058/3.6=1 Peak 2809 from cnoeabs.peaks (1.34, 3.75, 58.94 ppm; 3.67 A): 4 out of 10 assignments used, quality = 0.94: * QB ALA 67 + HA LEU 64 OK 81 100 - 81 - 2981=50, 3.6/7099=24...(14) HB2 LYS 82 + HA LEU 64 OK 37 98 - 38 - 9756/4.0=9, 10254/4.0=5...(11) QB ALA 25 + HA LEU 64 OK 33 100 - 34 - 2.9/2800=6, 1155/3.0=6...(11) HG LEU 14 + HA LEU 64 OK 31 84 - 37 - 2.1/9475=9, ~9477=4...(15) HG3 LYS 68 - HA LEU 64 OK 29 87 - 33 - 4.6/7099=18, 10254/4.0=3...(9) QB ALA 89 - HA LEU 64 OK 16 100 - 16 - 9938/3.0=3, ~7030=2...(6) HB3 LEU 27 - HA LEU 64 OK 16 97 - 16 - 3.1/2806=2, 10254/4.0=2...(6) HG2 LYS 39 - HA LEU 64 OK 12 96 - 13 - 7105/7099=2, 10252/4.0=2 HG2 LYS 94 - HA LEU 64 OK 11 100 - 11 - 12252/3.0=2, 10254/4.0=1 HB3 LEU 2 - HA LEU 64 lone 5 99 - 5 - Peak 2810 from cnoeabs.peaks (7.72, 2.11, 41.70 ppm; 3.58 A): 2 out of 4 assignments used, quality = 0.96: * H LEU 64 + HB2 LEU 64 OK 94 100 - 94 - 3.9=75, 2818/1.8=19...(19) H ALA 25 + HB2 LEU 64 OK 40 97 - 42 - 2818/1.8=8, 2800/3.0=6...(15) H SER 49 - HB2 LEU 64 OK 23 96 - 24 - 2818/1.8=5, 2826/3.0=4...(8) H ASN 60 - HB2 LEU 64 OK 19 84 - 23 - 2818/1.8=4, 2826/3.0=3...(9) Peak 2811 from cnoeabs.peaks (3.75, 2.11, 41.70 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.0=100 Peak 2812 from cnoeabs.peaks (2.11, 2.11, 41.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 64 + HB2 LEU 64 OK 100 100 - 100 Peak 2813 from cnoeabs.peaks (1.49, 2.11, 41.70 ppm; 2.86 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 1.8=100 HG LEU 64 + HB2 LEU 64 OK 86 92 - 94 - 3.0=88, 2827/3.0=14...(11) HG3 LYS 66 - HB2 LEU 64 OK 30 100 - 30 - 2803/3.0=3, 2845/3.1=2...(17) HG2 LYS 66 - HB2 LEU 64 OK 30 100 - 30 - 2803/3.0=3, 2845/3.1=2...(17) HB2 ARG 91 - HB2 LEU 64 lone 7 99 - 6 - HG LEU 57 - HB2 LEU 64 lone 5 90 - 6 - HG2 LYS 47 - HB2 LEU 64 lone 3 100 - 3 - HG2 LYS 73 - HB2 LEU 64 lone 3 100 - 3 - HG3 LYS 13 - HB2 LEU 64 lone 2 97 - 2 - HG3 LYS 24 - HB2 LEU 64 lone 2 65 - 2 - HG3 LYS 33 - HB2 LEU 64 lone 1 81 - 1 - Peak 2814 from cnoeabs.peaks (1.48, 2.11, 41.70 ppm; 2.86 A): 2 out of 12 assignments used, quality = 1.00: * HG LEU 64 + HB2 LEU 64 OK 94 100 - 94 - 3.0=88, 2827/3.0=16...(12) HB3 LEU 64 + HB2 LEU 64 OK 92 92 - 100 - 1.8=100 HG2 LYS 66 - HB2 LEU 64 OK 26 90 - 29 - 2804/3.0=2, 4.8/12286=2...(17) HG3 LYS 66 - HB2 LEU 64 OK 24 84 - 29 - 2804/3.0=2, 4.8/12286=2...(17) HB2 ARG 91 - HB2 LEU 64 lone 7 98 - 7 - HD3 LYS 40 - HB2 LEU 64 lone 3 77 - 4 - HD2 LYS 40 - HB2 LEU 64 lone 3 73 - 4 - HG2 LYS 47 - HB2 LEU 64 lone 2 90 - 2 - HG2 LYS 73 - HB2 LEU 64 lone 2 87 - 2 - HG3 LYS 53 - HB2 LEU 64 lone 1 87 - 1 - HG3 LYS 13 - HB2 LEU 64 lone 1 70 - 2 - HG2 LYS 53 - HB2 LEU 64 lone 1 70 - 1 - Peak 2815 from cnoeabs.peaks (0.86, 2.11, 41.70 ppm; 3.62 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.1=100 QD1 LEU 103 - HB2 LEU 64 OK 44 100 - 44 - 2823/1.8=9, 2831/3.0=7...(12) QD1 LEU 38 - HB2 LEU 64 OK 35 100 - 34 - 2823/1.8=7, 2831/3.0=5...(12) Peak 2816 from cnoeabs.peaks (0.74, 2.11, 41.70 ppm; 3.77 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.1=100 QG1 VAL 78 + HB2 LEU 64 OK 54 99 - 55 - 10906/3.1=25, 2824/1.8=8...(13) HG3 ARG 81 - HB2 LEU 64 OK 29 100 - 29 - 3.9/9472=7, 2824/1.8=4...(13) HG13 ILE 93 - HB2 LEU 64 OK 25 100 - 24 - 2.1/10318=5, 2824/1.8=3...(9) QG2 ILE 93 - HB2 LEU 64 OK 24 94 - 25 - 3.1/10318=4, 10319=4...(9) QD2 LEU 27 - HB2 LEU 64 OK 17 87 - 19 - 2824/1.8=2, 2806/3.0=2...(8) QG1 VAL 5 - HB2 LEU 64 lone 5 77 - 6 - HG13 ILE 15 - HB2 LEU 64 lone 4 84 - 5 - QD1 ILE 15 - HB2 LEU 64 lone 3 65 - 5 - Peak 2817 from cnoeabs.peaks (7.92, 2.11, 41.70 ppm; 3.68 A): 3 out of 3 assignments used, quality = 0.93: * H ASP 65 + HB2 LEU 64 OK 89 100 - 89 - 4.6=50, 2825/1.8=20...(18) H GLN 72 + HB2 LEU 64 OK 27 87 - 31 - 2825/1.8=7, 2833/3.0=5...(7) H GLU 69 + HB2 LEU 64 OK 15 65 - 23 - 2825/1.8=5, 2807/3.0=4...(6) Peak 2818 from cnoeabs.peaks (7.72, 1.49, 41.70 ppm; 3.54 A): 2 out of 4 assignments used, quality = 0.96: * H LEU 64 + HB3 LEU 64 OK 93 100 - 93 - 3.9=73, 7036/1.8=19...(19) H ALA 25 + HB3 LEU 64 OK 41 97 - 42 - 2810/1.8=8, 2800/3.0=6...(15) H SER 49 - HB3 LEU 64 OK 24 96 - 25 - 2810/1.8=5, 2826/3.0=4...(8) H ASN 60 - HB3 LEU 64 OK 22 84 - 26 - 4.6/9444=4, 2810/1.8=4...(10) Peak 2819 from cnoeabs.peaks (3.75, 1.49, 41.70 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.0=100 Peak 2820 from cnoeabs.peaks (2.11, 1.49, 41.70 ppm; 3.10 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 1.8=100 HB VAL 83 - HB3 LEU 64 OK 37 100 - 37 - 2.1/9817=4, 2802/3.0=4...(16) HB3 PRO 86 - HB3 LEU 64 OK 24 96 - 25 - 2828/3.0=2, 2802/3.0=2...(12) HB2 PRO 86 - HB3 LEU 64 OK 24 97 - 25 - 2828/3.0=2, 2802/3.0=2...(11) HB3 GLU 69 - HB3 LEU 64 OK 11 81 - 13 - 4.0/2825=2, 3.0/10798=1...(4) HB2 GLU 69 - HB3 LEU 64 OK 11 81 - 13 - 4.0/2825=2, 3.0/10798=1...(4) HG3 GLU 37 - HB3 LEU 64 lone 7 100 - 7 - HB3 GLU 37 - HB3 LEU 64 lone 6 84 - 7 - HG2 GLU 69 - HB3 LEU 64 lone 6 81 - 7 - 5.1/2825=1 QE MET 21 - HB3 LEU 64 lone 4 81 - 5 - HG3 GLU 104 - HB3 LEU 64 lone 4 77 - 5 - Peak 2821 from cnoeabs.peaks (1.49, 1.49, 41.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 64 + HB3 LEU 64 OK 100 100 - 100 Peak 2822 from cnoeabs.peaks (1.48, 1.49, 41.70 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: HB3 LEU 64 + HB3 LEU 64 OK 92 92 - 100 Reference assignment not found: HG LEU 64 - HB3 LEU 64 Peak 2823 from cnoeabs.peaks (0.86, 1.49, 41.70 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.1=100 QD1 LEU 103 - HB3 LEU 64 OK 41 100 - 41 - 2815/1.8=9, 2831/3.0=6...(11) QD1 LEU 38 - HB3 LEU 64 OK 32 100 - 32 - 2815/1.8=7, 2831/3.0=5...(11) Peak 2824 from cnoeabs.peaks (0.74, 1.49, 41.70 ppm; 3.57 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.1=100 QG1 VAL 78 + HB3 LEU 64 OK 50 99 - 51 - 10906/3.1=23, 2816/1.8=7...(13) HG3 ARG 81 - HB3 LEU 64 OK 26 100 - 26 - 3.9/9481=6, 2816/1.8=4...(10) HG13 ILE 93 - HB3 LEU 64 OK 21 100 - 21 - ~10318=3, 2816/1.8=3...(9) QG2 ILE 93 - HB3 LEU 64 OK 19 94 - 20 - 10319/1.8=4, ~10318=3...(8) QD2 LEU 27 - HB3 LEU 64 OK 15 87 - 17 - 2816/1.8=2, 2806/3.0=2...(7) QG1 VAL 5 - HB3 LEU 64 lone 4 77 - 6 - HG13 ILE 15 - HB3 LEU 64 lone 4 84 - 4 - QD1 ILE 15 - HB3 LEU 64 lone 3 65 - 4 - Peak 2825 from cnoeabs.peaks (7.92, 1.49, 41.70 ppm; 4.02 A): 2 out of 3 assignments used, quality = 0.96: * H ASP 65 + HB3 LEU 64 OK 94 100 - 94 - 4.6=66, 2817/1.8=28...(17) H GLN 72 + HB3 LEU 64 OK 32 87 - 37 - 2817/1.8=9, 2833/3.0=6...(9) H GLU 69 - HB3 LEU 64 OK 21 65 - 32 - 2807/3.0=5, 2817/1.8=5...(11) Peak 2826 from cnoeabs.peaks (7.72, 1.48, 27.00 ppm; 3.91 A): 2 out of 4 assignments used, quality = 0.96: * H LEU 64 + HG LEU 64 OK 93 100 - 93 - 4.8=53, 3.0/2827=31...(14) H ALA 25 + HG LEU 64 OK 42 97 - 43 - 2842/2.1=7, 2818/3.0=7...(15) H SER 49 - HG LEU 64 OK 27 96 - 28 - 2842/2.1=5, ~9056=5...(7) H ASN 60 - HG LEU 64 OK 23 84 - 28 - 4.6/9444=5, 2818/3.0=4...(9) Peak 2827 from cnoeabs.peaks (3.75, 1.48, 27.00 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.96: * HA LEU 64 + HG LEU 64 OK 96 100 - 96 - 4.3=66, 2843/2.1=40...(21) Peak 2828 from cnoeabs.peaks (2.11, 1.48, 27.00 ppm; 3.27 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LEU 64 + HG LEU 64 OK 100 100 - 100 - 3.0=100 HB VAL 83 - HG LEU 64 OK 36 100 - 37 - 2820/3.0=4, 2844/2.1=4...(15) HB2 PRO 86 - HG LEU 64 OK 24 97 - 25 - 2844/2.1=3, 2820/3.0=3...(10) HB3 PRO 86 - HG LEU 64 OK 24 96 - 25 - 2844/2.1=3, 2820/3.0=3...(11) HB3 GLU 69 - HG LEU 64 OK 10 81 - 12 - 4.0/2833=2, 2820/3.0=1...(4) HB2 GLU 69 - HG LEU 64 OK 10 81 - 12 - 4.0/2833=2, 2820/3.0=1...(4) HG3 GLU 37 - HG LEU 64 lone 7 100 - 7 - 2836/2.1=1 HB3 GLU 37 - HG LEU 64 lone 6 84 - 7 - HG2 GLU 69 - HG LEU 64 lone 5 81 - 7 - 5.1/2833=1 QE MET 21 - HG LEU 64 lone 5 81 - 6 - HG3 GLU 104 - HG LEU 64 lone 3 77 - 4 - Peak 2829 from cnoeabs.peaks (1.49, 1.48, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: HG LEU 64 + HG LEU 64 OK 92 92 - 100 Reference assignment not found: HB3 LEU 64 - HG LEU 64 Peak 2830 from cnoeabs.peaks (1.48, 1.48, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 64 + HG LEU 64 OK 100 100 - 100 Peak 2831 from cnoeabs.peaks (0.86, 1.48, 27.00 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + HG LEU 64 OK 100 100 - 100 - 2.1=100 QD1 LEU 103 - HG LEU 64 OK 40 100 - 40 - 2847/2.1=8, 2815/3.0=6...(15) QD1 LEU 38 - HG LEU 64 OK 32 100 - 31 - 2847/2.1=6, 2815/3.0=5...(11) Peak 2832 from cnoeabs.peaks (0.74, 1.48, 27.00 ppm; 3.07 A): 1 out of 9 assignments used, quality = 1.00: * QD1 LEU 64 + HG LEU 64 OK 100 100 - 100 - 2.1=100 QG1 VAL 78 - HG LEU 64 OK 42 99 - 43 - 10906/2.1=24, 2824/3.0=4...(11) HG3 ARG 81 - HG LEU 64 OK 19 100 - 19 - 3.9/9482=4, 2840/2.1=3...(8) HG13 ILE 93 - HG LEU 64 OK 13 100 - 13 - 2816/3.0=2, 2824/3.0=2...(5) QG2 ILE 93 - HG LEU 64 OK 12 94 - 13 - 10319/3.0=2, 2824/3.0=2...(4) QD2 LEU 27 - HG LEU 64 poor 9 87 - 11 - 2840/2.1=1, 2824/3.0=1 QG1 VAL 5 - HG LEU 64 lone 3 77 - 3 - HG13 ILE 15 - HG LEU 64 lone 3 84 - 3 - QD1 ILE 15 - HG LEU 64 lone 2 65 - 3 - Peak 2833 from cnoeabs.peaks (7.92, 1.48, 27.00 ppm; 4.34 A): 3 out of 3 assignments used, quality = 0.95: * H ASP 65 + HG LEU 64 OK 90 100 - 90 - 3.6/2827=32, 2817/3.0=25...(18) H GLN 72 + HG LEU 64 OK 34 87 - 39 - 2817/3.0=8, 2825/3.0=8...(7) H GLU 69 + HG LEU 64 OK 20 65 - 30 - 2825/3.0=5, 2807/4.3=5...(10) Peak 2834 from cnoeabs.peaks (7.72, 0.86, 25.46 ppm; 4.42 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 64 + QD2 LEU 64 OK 99 100 - 99 - 4.5=93, ~2843=25...(17) H ALA 25 + QD2 LEU 64 OK 55 97 - 57 - 2826/2.1=10, 2842/2.1=9...(15) H SER 49 - QD2 LEU 64 OK 39 96 - 40 - 2.9/9056=9, 3.9/9071=6...(9) H LEU 64 - QD1 LEU 103 OK 28 58 - 47 - 7039=12, 3.0/2805=9...(7) H ASN 60 - QD2 LEU 64 OK 26 84 - 31 - 2826/2.1=5, 2818/3.1=5...(10) H ALA 25 - QD1 LEU 103 poor 9 53 - 17 - 12294/9503=2, 6401/2.1=2...(7) H SER 49 - QD1 LEU 103 lone 5 52 - 9 - 2.9/9056=2, 3.9/9071=2 H ASN 60 - QD1 LEU 103 lone 3 42 - 7 - Peak 2835 from cnoeabs.peaks (3.75, 0.86, 25.46 ppm; 4.43 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 4.0=100 HA LEU 64 - QD1 LEU 103 OK 29 58 - 51 - 2805=12, 3.6/7052=10...(8) Peak 2836 from cnoeabs.peaks (2.11, 0.86, 25.46 ppm; 3.42 A): 1 out of 22 assignments used, quality = 1.00: * HB2 LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 3.1=100 HB VAL 83 - QD2 LEU 64 OK 38 100 - 38 - 2828/2.1=5, 2844/2.1=5...(15) HB2 LEU 64 - QD1 LEU 103 OK 26 58 - 44 - 2815=10, 1.8/2823=8...(11) HB2 PRO 86 - QD2 LEU 64 OK 24 97 - 25 - 2828/2.1=4, 2844/2.1=3...(10) HB3 PRO 86 - QD2 LEU 64 OK 24 96 - 26 - 2828/2.1=4, 2844/2.1=3...(10) HB3 GLU 69 - QD2 LEU 64 OK 10 81 - 13 - 4.0/2841=2, 2828/2.1=2...(4) HB2 GLU 69 - QD2 LEU 64 OK 10 81 - 13 - 4.0/2841=2, 2828/2.1=2...(4) HG3 GLU 37 - QD2 LEU 64 lone 10 100 - 10 - 1614/6590=1, 2828/2.1=1 HB3 GLU 37 - QD2 LEU 64 poor 9 84 - 10 - 4.6/6590=3 HG3 GLU 104 - QD2 LEU 64 lone 7 77 - 9 - 4.1/11076=3, 4.9/7662=2 HG2 GLU 69 - QD2 LEU 64 lone 6 81 - 8 - 5.1/2841=1 QE MET 21 - QD2 LEU 64 lone 5 81 - 7 - HG3 GLU 104 - QD1 LEU 103 poor 4 38 - 11 - 4.1/11076=5, 4.9/7662=5 HG3 GLU 37 - QD1 LEU 103 lone 4 57 - 6 - 1614/6590=2 HB3 GLU 37 - QD1 LEU 103 lone 3 42 - 7 - 4.6/6590=4 HB VAL 83 - QD1 LEU 103 lone 2 58 - 4 - HB2 PRO 86 - QD1 LEU 103 lone 2 53 - 3 - HB3 PRO 86 - QD1 LEU 103 lone 2 52 - 3 - HB3 GLU 69 - QD1 LEU 103 lone 1 40 - 2 - HB2 GLU 69 - QD1 LEU 103 lone 1 40 - 2 - QE MET 21 - QD1 LEU 103 lone 1 40 - 2 - HG2 GLU 69 - QD1 LEU 103 lone 0 40 - 1 - Peak 2837 from cnoeabs.peaks (1.49, 0.86, 25.46 ppm; 3.10 A): 2 out of 22 assignments used, quality = 1.00: * HB3 LEU 64 + QD2 LEU 64 OK 99 100 - 99 - 3.1=97, 2845/2.1=12...(16) HG LEU 64 + QD2 LEU 64 OK 92 92 - 100 - 2.1=100 HG3 LYS 66 - QD2 LEU 64 OK 35 100 - 35 - 3.6/9479=5, 3.7/9513=4...(16) HG2 LYS 66 - QD2 LEU 64 OK 35 100 - 35 - 3.6/9479=5, 3.7/9513=4...(16) HB3 LEU 64 - QD1 LEU 103 OK 21 58 - 37 - 2823=8, 1.8/2815=7...(9) HG LEU 64 - QD1 LEU 103 OK 17 48 - 36 - 2831=7, 2.1/2847=7...(11) HB2 ARG 91 - QD2 LEU 64 lone 8 99 - 8 - HG LEU 57 - QD2 LEU 64 lone 5 90 - 5 - HG2 LYS 47 - QD2 LEU 64 lone 3 100 - 3 - HG2 LYS 73 - QD2 LEU 64 lone 3 100 - 3 - HG2 LYS 66 - QD1 LEU 103 lone 3 58 - 5 - HG3 LYS 66 - QD1 LEU 103 lone 3 57 - 5 - HG3 LYS 13 - QD2 LEU 64 lone 3 97 - 3 - 3.9/8385=1 HG LEU 57 - QD1 LEU 103 lone 3 47 - 5 - 2631/2.1=1 HG3 LYS 24 - QD2 LEU 64 lone 2 65 - 2 - HB2 ARG 91 - QD1 LEU 103 lone 1 57 - 2 - HG3 LYS 24 - QD1 LEU 103 lone 1 31 - 4 - HG3 LYS 33 - QD2 LEU 64 lone 1 81 - 1 - HG2 LYS 73 - QD1 LEU 103 lone 1 58 - 1 - HG3 LYS 13 - QD1 LEU 103 lone 1 53 - 1 - HG2 LYS 47 - QD1 LEU 103 lone 0 58 - 1 - HG3 LYS 33 - QD1 LEU 103 lone 0 40 - 1 - Peak 2838 from cnoeabs.peaks (1.48, 0.86, 25.46 ppm; 3.10 A): 2 out of 24 assignments used, quality = 1.00: * HG LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 2.1=100 HB3 LEU 64 + QD2 LEU 64 OK 91 92 - 99 - 3.1=97, 2846/2.1=11...(16) HG2 LYS 66 - QD2 LEU 64 OK 31 90 - 34 - 3.6/9479=5, 3.7/9513=4...(16) HG3 LYS 66 - QD2 LEU 64 OK 28 84 - 34 - 3.6/9479=5, 3.7/9513=4...(16) HG LEU 64 - QD1 LEU 103 OK 22 58 - 37 - 2831=8, 2.1/2847=7...(12) HB3 LEU 64 - QD1 LEU 103 OK 17 48 - 36 - 2823=7, 1.8/2815=7...(9) HB2 ARG 91 - QD2 LEU 64 lone 8 98 - 8 - HD3 LYS 40 - QD2 LEU 64 lone 5 77 - 7 - HD2 LYS 40 - QD2 LEU 64 lone 5 73 - 7 - HG2 LYS 47 - QD2 LEU 64 lone 3 90 - 3 - HG2 LYS 73 - QD2 LEU 64 lone 2 87 - 3 - HG2 LYS 66 - QD1 LEU 103 lone 2 47 - 5 - HG3 LYS 53 - QD2 LEU 64 lone 2 87 - 3 - HG3 LYS 66 - QD1 LEU 103 lone 2 42 - 5 - HG3 LYS 13 - QD2 LEU 64 lone 2 70 - 3 - 3.9/8385=1 HG2 LYS 53 - QD2 LEU 64 lone 1 70 - 2 - HB2 ARG 91 - QD1 LEU 103 lone 1 55 - 2 - HD3 LYS 40 - QD1 LEU 103 lone 1 38 - 2 - HD2 LYS 40 - QD1 LEU 103 lone 1 36 - 2 - HG2 LYS 73 - QD1 LEU 103 lone 0 44 - 1 - HG3 LYS 53 - QD1 LEU 103 lone 0 44 - 1 - HG2 LYS 47 - QD1 LEU 103 lone 0 47 - 1 - HG3 LYS 13 - QD1 LEU 103 lone 0 33 - 1 - HG2 LYS 53 - QD1 LEU 103 lone 0 33 - 1 - Peak 2839 from cnoeabs.peaks (0.86, 0.86, 25.46 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 64 + QD2 LEU 64 OK 100 100 - 100 QD1 LEU 103 + QD1 LEU 103 OK 58 58 - 100 Peak 2840 from cnoeabs.peaks (0.74, 0.86, 25.46 ppm; 2.70 A): 2 out of 18 assignments used, quality = 1.00: * QD1 LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 2.1=100 QG1 VAL 78 + QD2 LEU 64 OK 46 99 - 47 - 10906=29, 2832/2.1=5...(11) HG3 ARG 81 - QD2 LEU 64 OK 21 100 - 21 - 4.8/10247=6, 3.9/9480=3...(6) QD1 LEU 64 - QD1 LEU 103 OK 19 58 - 32 - 2847=9, 2.1/2831=5...(11) HG13 ILE 93 - QD2 LEU 64 OK 11 100 - 11 - 2832/2.1=2, 2824/3.1=1...(4) QG2 ILE 93 - QD2 LEU 64 OK 10 94 - 11 - 10319/3.1=2, 2832/2.1=1 QD2 LEU 27 - QD2 LEU 64 poor 9 87 - 10 - 2832/2.1=1 QG1 VAL 78 - QD1 LEU 103 lone 4 57 - 8 - 10906=4 HG3 ARG 81 - QD1 LEU 103 lone 4 58 - 7 - 4.8/10939=2 QG1 VAL 5 - QD2 LEU 64 lone 3 77 - 4 - HG13 ILE 15 - QD2 LEU 64 lone 2 84 - 3 - QD1 ILE 15 - QD2 LEU 64 lone 2 65 - 2 - QD2 LEU 27 - QD1 LEU 103 lone 1 44 - 3 - QG2 ILE 93 - QD1 LEU 103 lone 1 50 - 2 - HG13 ILE 93 - QD1 LEU 103 lone 1 58 - 1 - HG13 ILE 15 - QD1 LEU 103 lone 1 42 - 1 - QG1 VAL 5 - QD1 LEU 103 lone 0 38 - 1 - QD1 ILE 15 - QD1 LEU 103 lone 0 31 - 1 - Peak 2841 from cnoeabs.peaks (7.92, 0.86, 25.46 ppm; 3.97 A): 2 out of 6 assignments used, quality = 0.94: * H ASP 65 + QD2 LEU 64 OK 91 100 - 91 - 4.9=52, 2817/3.1=21...(15) H GLN 72 + QD2 LEU 64 OK 34 87 - 38 - 2833/2.1=7, 2817/3.1=6...(8) H ASP 65 - QD1 LEU 103 OK 31 58 - 54 - 7052=15, 3.0/9503=8...(16) H GLU 69 - QD2 LEU 64 OK 19 65 - 30 - 2833/2.1=4, 2807/4.0=4...(8) H GLU 69 - QD1 LEU 103 poor 4 31 - 13 - 10805/4.7=6, 7118/3.9=3 H GLN 72 - QD1 LEU 103 lone 3 44 - 7 - Peak 2842 from cnoeabs.peaks (7.72, 0.74, 24.36 ppm; 4.33 A): 2 out of 4 assignments used, quality = 0.99: * H LEU 64 + QD1 LEU 64 OK 99 100 - 99 - 4.5=87, 3.0/2843=41...(17) H ALA 25 + QD1 LEU 64 OK 52 97 - 54 - 2826/2.1=9, 2818/3.1=8...(16) H SER 49 - QD1 LEU 64 OK 35 96 - 36 - 2826/2.1=6, ~9056=6...(9) H ASN 60 - QD1 LEU 64 OK 26 84 - 31 - 2826/2.1=5, 2818/3.1=4...(10) Peak 2843 from cnoeabs.peaks (3.75, 0.74, 24.36 ppm; 3.27 A): 1 out of 1 assignment used, quality = 0.89: * HA LEU 64 + QD1 LEU 64 OK 89 100 - 89 - 4.0=55, 2827/2.1=27...(21) Peak 2844 from cnoeabs.peaks (2.11, 0.74, 24.36 ppm; 3.84 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 64 + QD1 LEU 64 OK 100 100 - 100 - 3.1=100 HB VAL 83 + QD1 LEU 64 OK 46 100 - 46 - 2.1/10762=8, 2828/2.1=6...(14) HB3 PRO 86 - QD1 LEU 64 OK 29 96 - 31 - 2828/2.1=4, 2820/3.1=3...(11) HB2 PRO 86 - QD1 LEU 64 OK 29 97 - 31 - 2828/2.1=4, 2820/3.1=3...(10) HB3 GLU 69 - QD1 LEU 64 OK 13 81 - 16 - 4.0/2849=2, 2828/2.1=2...(6) HB2 GLU 69 - QD1 LEU 64 OK 13 81 - 16 - 4.0/2849=2, 2828/2.1=2...(6) HG3 GLU 37 - QD1 LEU 64 lone 10 100 - 9 - 2836/2.1=1, 2828/2.1=1 QE MET 21 - QD1 LEU 64 poor 9 81 - 11 - 3.4/8558=1 HB3 GLU 37 - QD1 LEU 64 lone 8 84 - 9 - 2836/2.1=1, 2828/2.1=1 HG2 GLU 69 - QD1 LEU 64 lone 8 81 - 10 - 5.1/2849=2 HG3 GLU 104 - QD1 LEU 64 lone 5 77 - 6 - 7049/4.9=1 Peak 2845 from cnoeabs.peaks (1.49, 0.74, 24.36 ppm; 2.95 A): 2 out of 11 assignments used, quality = 0.99: * HB3 LEU 64 + QD1 LEU 64 OK 93 100 - 93 - 3.1=84, 3.0/2843=21...(13) HG LEU 64 + QD1 LEU 64 OK 92 92 - 100 - 2.1=100 HG3 LYS 66 - QD1 LEU 64 OK 30 100 - 30 - 3.0/10255=3, 2837/2.1=3...(14) HG2 LYS 66 - QD1 LEU 64 OK 30 100 - 30 - 3.0/10255=3, 2837/2.1=3...(13) HB2 ARG 91 - QD1 LEU 64 lone 6 99 - 6 - HG LEU 57 - QD1 LEU 64 lone 6 90 - 6 - HG2 LYS 73 - QD1 LEU 64 lone 4 100 - 3 - HG2 LYS 47 - QD1 LEU 64 lone 3 100 - 3 - HG3 LYS 13 - QD1 LEU 64 lone 2 97 - 2 - HG3 LYS 24 - QD1 LEU 64 lone 2 65 - 2 - HG3 LYS 33 - QD1 LEU 64 lone 1 81 - 1 - Peak 2846 from cnoeabs.peaks (1.48, 0.74, 24.36 ppm; 2.95 A): 2 out of 12 assignments used, quality = 1.00: * HG LEU 64 + QD1 LEU 64 OK 100 100 - 100 - 2.1=100 HB3 LEU 64 + QD1 LEU 64 OK 85 92 - 93 - 3.1=84, 3.0/2843=21...(13) HG2 LYS 66 - QD1 LEU 64 OK 26 90 - 29 - 3.0/10255=3, 2838/2.1=3...(13) HG3 LYS 66 - QD1 LEU 64 OK 24 84 - 29 - 3.0/10255=3, 3.6/9484=3...(14) HB2 ARG 91 - QD1 LEU 64 lone 6 98 - 6 - HD3 LYS 40 - QD1 LEU 64 lone 4 77 - 5 - HD2 LYS 40 - QD1 LEU 64 lone 4 73 - 5 - HG2 LYS 73 - QD1 LEU 64 lone 3 87 - 3 - HG2 LYS 47 - QD1 LEU 64 lone 2 90 - 2 - HG3 LYS 53 - QD1 LEU 64 lone 2 87 - 2 - HG3 LYS 13 - QD1 LEU 64 lone 1 70 - 2 - HG2 LYS 53 - QD1 LEU 64 lone 1 70 - 2 - Peak 2847 from cnoeabs.peaks (0.86, 0.74, 24.36 ppm; 2.87 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 103 - QD1 LEU 64 OK 32 100 - 32 - 2831/2.1=5, 2815/3.1=4...(11) QD1 LEU 38 - QD1 LEU 64 OK 24 100 - 24 - 2831/2.1=4, 2815/3.1=3...(11) Peak 2848 from cnoeabs.peaks (0.74, 0.74, 24.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 64 + QD1 LEU 64 OK 100 100 - 100 Peak 2849 from cnoeabs.peaks (7.92, 0.74, 24.36 ppm; 5.50 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 65 + QD1 LEU 64 OK 100 100 - 100 - 4.9=100 H GLN 72 + QD1 LEU 64 OK 50 87 - 58 - 2833/2.1=11, 2825/3.1=10...(13) H GLU 69 - QD1 LEU 64 OK 32 65 - 49 - 4.6/9531=8, 2807/4.0=7...(12) Peak 2850 from cnoeabs.peaks (7.92, 4.31, 57.27 ppm; 3.35 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 65 + HA ASP 65 OK 100 100 - 100 - 3.0=100 H GLU 69 - HA ASP 65 OK 26 65 - 40 - 4.6/2856=11, 4.6/2855=10...(8) H GLN 72 - HA ASP 65 OK 14 87 - 16 - 7064/3.6=3, 9557/2856=3...(5) Peak 2851 from cnoeabs.peaks (4.31, 4.31, 57.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 65 + HA ASP 65 OK 100 100 - 100 Peak 2852 from cnoeabs.peaks (2.71, 4.31, 57.27 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 65 + HA ASP 65 OK 100 100 - 100 - 3.0=100 HB3 ASP 61 - HA ASP 65 poor 7 65 - 11 - 7055/3.0=4, ~10768=3...(4) Peak 2853 from cnoeabs.peaks (2.64, 4.31, 57.27 ppm; 3.20 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 65 + HA ASP 65 OK 100 100 - 100 - 3.0=100 HB3 ASP 77 - HA ASP 65 OK 25 98 - 25 - 2866=7, 7056/3.0=5...(8) HB3 TYR 41 - HA ASP 65 lone 10 100 - 9 - 7056/3.0=2, 7067/3.6=2 HG3 MET 74 - HA ASP 65 lone 2 65 - 3 - Peak 2854 from cnoeabs.peaks (7.80, 4.31, 57.27 ppm; 4.10 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 66 + HA ASP 65 OK 100 100 - 100 - 3.6=100 H GLU 28 + HA ASP 65 OK 46 99 - 46 - 6454=13, 7057/3.0=6...(15) H GLU 99 - HA ASP 65 OK 20 96 - 21 - 2863/3.0=4, 7057/3.0=4...(6) H SER 9 - HA ASP 65 poor 10 94 - 10 - 7057/3.0=3, 2863/3.0=2 H LYS 20 - HA ASP 65 poor 10 92 - 10 - 7057/3.0=2, 2863/3.0=1...(4) HE ARG 30 - HA ASP 65 lone 3 84 - 4 - Peak 2855 from cnoeabs.peaks (8.19, 4.31, 57.27 ppm; 3.77 A): 3 out of 3 assignments used, quality = 0.86: * H LYS 68 + HA ASP 65 OK 80 100 - 80 - 7100=31, 4.0/2856=17...(15) H ASP 36 + HA ASP 65 OK 18 100 - 18 - 7078/3.6=4, 9487/3.0=3...(6) H GLU 43 + HA ASP 65 OK 15 97 - 15 - 7078/3.6=4, 9487/3.0=3...(6) Peak 2856 from cnoeabs.peaks (1.84, 4.31, 57.27 ppm; 3.43 A): 2 out of 5 assignments used, quality = 0.74: * HB2 LYS 68 + HA ASP 65 OK 70 100 - 70 - 2997=18, 2.9/9500=17...(20) HB2 LYS 53 + HA ASP 65 OK 14 100 - 14 - ~9678=2, 4.4/10772=2...(4) HB3 LYS 90 - HA ASP 65 lone 8 99 - 8 - 2997=2, 7107/2855=1 HB3 LEU 57 - HA ASP 65 lone 2 81 - 2 - HG2 ARG 46 - HA ASP 65 lone 2 84 - 2 - Peak 2857 from cnoeabs.peaks (1.87, 4.31, 57.27 ppm; 3.44 A): 6 out of 9 assignments used, quality = 0.92: * HB3 LYS 68 + HA ASP 65 OK 74 100 - 75 - 1.8/2856=26, 3009=18...(19) HB3 LYS 66 + HA ASP 65 OK 43 92 - 47 - 10777/3.0=13...(14) HB3 LYS 39 + HA ASP 65 OK 15 94 - 16 - 3.6/9500=3, 3009=3...(6) HB3 LYS 12 + HA ASP 65 OK 14 99 - 14 - 3009=3, 7070/3.6=3, 1.8/3009=2 HB2 LYS 12 + HA ASP 65 OK 13 97 - 14 - 7070/3.6=3, 3009=2, 1.8/3009=2 HB3 GLU 104 + HA ASP 65 OK 12 100 - 12 - ~7044=2, 9492/3.0=2...(6) HB VAL 5 - HA ASP 65 lone 6 92 - 7 - 7070/3.6=1 HB VAL 54 - HA ASP 65 lone 5 81 - 6 - 3.9/10772=2, 9492/3.0=1 HB2 LYS 20 - HA ASP 65 lone 3 65 - 5 - Peak 2858 from cnoeabs.peaks (4.12, 2.71, 40.20 ppm; 4.03 A): 3 out of 3 assignments used, quality = 0.80: * HA GLU 62 + HB2 ASP 65 OK 67 100 - 67 - 2732=34, 2733/1.8=23...(7) HA GLU 99 + HB2 ASP 65 OK 26 100 - 26 - 2864/1.8=8, 7060/4.6=7...(6) HA GLU 104 + HB2 ASP 65 OK 21 99 - 21 - 2864/1.8=7, 7044/4.0=6...(4) Peak 2859 from cnoeabs.peaks (7.92, 2.71, 40.20 ppm; 3.41 A): 3 out of 3 assignments used, quality = 0.87: * H ASP 65 + HB2 ASP 65 OK 83 100 - 83 - 4.0=63, 7056/1.8=28...(9) H GLU 69 + HB2 ASP 65 OK 15 65 - 23 - 4.6/9487=6, 2850/3.0=5...(6) H GLN 72 + HB2 ASP 65 OK 11 87 - 12 - 2865/1.8=3, 2850/3.0=3...(5) Peak 2860 from cnoeabs.peaks (4.31, 2.71, 40.20 ppm; 3.31 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 65 + HB2 ASP 65 OK 100 100 - 100 - 3.0=100 HA GLU 28 - HB2 ASP 65 OK 23 100 - 23 - 2866/1.8=5, 3.0/2863=4...(9) HA LEU 103 - HB2 ASP 65 OK 10 87 - 12 - 2866/1.8=2, 7054/4.0=2...(6) Peak 2861 from cnoeabs.peaks (2.71, 2.71, 40.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 65 + HB2 ASP 65 OK 100 100 - 100 Peak 2862 from cnoeabs.peaks (2.64, 2.71, 40.20 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 65 + HB2 ASP 65 OK 100 100 - 100 - 1.8=100 HB3 ASP 77 - HB2 ASP 65 OK 16 98 - 17 - 2867=6, 2853/3.0=2...(8) HB3 TYR 41 - HB2 ASP 65 lone 4 100 - 4 - HG3 MET 74 - HB2 ASP 65 lone 1 65 - 1 - Peak 2863 from cnoeabs.peaks (7.80, 2.71, 40.20 ppm; 3.77 A): 3 out of 6 assignments used, quality = 0.89: * H LYS 66 + HB2 ASP 65 OK 82 100 - 82 - 4.6=55, 7067/1.8=29...(10) H GLU 28 + HB2 ASP 65 OK 26 99 - 26 - 6454/3.0=7, 3.0/2860=6...(6) H GLU 99 + HB2 ASP 65 OK 19 96 - 19 - 3.0/2858=6, 2869/1.8=4...(5) H SER 9 - HB2 ASP 65 lone 7 94 - 8 - 7057/4.0=2, 2869/1.8=2 H LYS 20 - HB2 ASP 65 lone 6 92 - 6 - 7057/4.0=1, 2869/1.8=1 HE ARG 30 - HB2 ASP 65 lone 2 84 - 3 - Peak 2864 from cnoeabs.peaks (4.12, 2.64, 40.20 ppm; 3.90 A): 3 out of 6 assignments used, quality = 0.78: * HA GLU 62 + HB3 ASP 65 OK 63 100 - 63 - 2732/1.8=25, 2733=24...(7) HA GLU 99 + HB3 ASP 65 OK 25 100 - 25 - 2858/1.8=8, 7060/4.6=7...(6) HA GLU 104 + HB3 ASP 65 OK 21 99 - 21 - 2858/1.8=7, 7044/4.0=6...(5) HA GLU 62 - HB3 ASP 77 poor 9 86 - 11 - 2733=4, 2731/7056=2...(5) HA GLU 104 - HB3 ASP 77 lone 3 83 - 3 - HA GLU 99 - HB3 ASP 77 lone 2 86 - 3 - Peak 2865 from cnoeabs.peaks (7.92, 2.64, 40.20 ppm; 3.29 A): 3 out of 6 assignments used, quality = 0.86: * H ASP 65 + HB3 ASP 65 OK 79 100 - 79 - 4.0=57, 7055/1.8=35...(8) H ASP 65 + HB3 ASP 77 OK 20 86 - 23 - 7056=9, 3.0/2853=5...(6) H GLU 69 + HB3 ASP 65 OK 13 65 - 20 - 2850/3.0=5, 2859/1.8=5...(6) H GLN 72 - HB3 ASP 65 poor 10 87 - 11 - 2859/1.8=3, 2850/3.0=2 H GLN 72 - HB3 ASP 77 lone 4 69 - 6 - 10826/4.4=3 H GLU 69 - HB3 ASP 77 lone 2 50 - 4 - Peak 2866 from cnoeabs.peaks (4.31, 2.64, 40.20 ppm; 3.31 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 65 + HB3 ASP 65 OK 100 100 - 100 - 3.0=100 HA ASP 65 - HB3 ASP 77 OK 25 86 - 28 - 2853=9, 3.0/7056=5...(8) HA GLU 28 - HB3 ASP 65 OK 23 100 - 23 - 2860/1.8=6, 3.0/2869=3...(9) HA LEU 103 - HB3 ASP 65 OK 11 87 - 13 - 2860/1.8=3, 3.9/9496=2...(7) HA GLU 28 - HB3 ASP 77 lone 2 85 - 2 - HA LEU 103 - HB3 ASP 77 lone 1 69 - 2 - Peak 2867 from cnoeabs.peaks (2.71, 2.64, 40.20 ppm; 2.44 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASP 65 + HB3 ASP 65 OK 100 100 - 100 - 1.8=100 HB2 ASP 65 - HB3 ASP 77 OK 15 86 - 18 - 2862=7, 3.0/2853=3...(8) HB3 ASP 61 - HB3 ASP 65 lone 3 65 - 4 - 7055/4.0=1 HB3 ASP 61 - HB3 ASP 77 lone 0 50 - 1 - Peak 2868 from cnoeabs.peaks (2.64, 2.64, 40.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 65 + HB3 ASP 65 OK 100 100 - 100 HB3 ASP 77 + HB3 ASP 77 OK 82 82 - 100 Peak 2869 from cnoeabs.peaks (7.80, 2.64, 40.20 ppm; 3.62 A): 4 out of 12 assignments used, quality = 0.89: * H LYS 66 + HB3 ASP 65 OK 78 100 - 78 - 4.6=48, 7066/1.8=38...(8) H GLU 28 + HB3 ASP 65 OK 24 99 - 24 - 6454/3.0=6, 2863/1.8=6...(5) H LYS 66 + HB3 ASP 77 OK 21 86 - 24 - 7067=9, 3.6/2853=5...(5) H GLU 99 + HB3 ASP 65 OK 18 96 - 18 - 3.0/2864=5, 2863/1.8=5...(5) H SER 9 - HB3 ASP 77 poor 9 77 - 11 - 4.6/10771=4, 2.9/10770=2 H SER 9 - HB3 ASP 65 lone 8 94 - 9 - 2863/1.8=2, 7057/4.0=2...(4) H LYS 20 - HB3 ASP 65 lone 6 92 - 6 - 2863/1.8=1, 7057/4.0=1 H LYS 20 - HB3 ASP 77 lone 5 74 - 6 - 6298/3.9=3, 4.6/3467=1 H GLU 28 - HB3 ASP 77 lone 3 85 - 4 - HE ARG 30 - HB3 ASP 65 lone 2 84 - 2 - H GLU 99 - HB3 ASP 77 lone 2 79 - 2 - HE ARG 30 - HB3 ASP 77 lone 1 66 - 1 - Peak 2870 from cnoeabs.peaks (7.80, 4.08, 58.43 ppm; 3.31 A): 1 out of 12 assignments used, quality = 1.00: * H LYS 66 + HA LYS 66 OK 100 100 - 100 - 3.0=100 H LYS 66 - HA ARG 46 OK 28 80 - 35 - 7068=10, 4.0/2898=4...(12) H GLU 28 - HA LYS 66 OK 20 99 - 20 - 2897/3.0=3, 7084/3.6=3...(10) H LYS 20 - HA LYS 66 OK 18 92 - 19 - 2885/3.0=4, 2897/3.0=3...(8) H SER 9 - HA LYS 66 OK 16 94 - 17 - 2897/3.0=3, 7084/3.6=3...(6) H GLU 99 - HA LYS 66 OK 12 96 - 13 - ~7060=3, ~4398=2...(5) HE ARG 30 - HA LYS 66 lone 6 84 - 7 - 2897/3.0=1, 2885/3.0=1 H SER 9 - HA ARG 46 lone 3 70 - 4 - H LYS 20 - HA ARG 46 lone 2 68 - 4 - H GLU 28 - HA ARG 46 lone 2 78 - 3 - H GLU 99 - HA ARG 46 lone 1 72 - 1 - HE ARG 30 - HA ARG 46 lone 1 60 - 1 - Peak 2871 from cnoeabs.peaks (4.08, 4.08, 58.43 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 66 + HA LYS 66 OK 100 100 - 100 HA ARG 46 + HA ARG 46 OK 78 78 - 100 Peak 2872 from cnoeabs.peaks (1.77, 4.08, 58.43 ppm; 3.17 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 66 + HA LYS 66 OK 100 100 - 100 - 3.0=100 HB3 GLU 63 + HA LYS 66 OK 45 87 - 52 - 3.0/10240=9, 2899/3.0=6...(19) HB2 LYS 66 - HA ARG 46 OK 31 80 - 38 - 2886=9, 1.8/2898=7...(14) HG3 ARG 19 - HA LYS 66 OK 26 98 - 27 - 7069/3.0=3, 2899/3.0=3...(14) HB ILE 56 - HA LYS 66 OK 22 100 - 22 - 7086/3.6=5, 3.2/9512=3...(5) HB3 LYS 82 - HA LYS 66 OK 14 100 - 13 - 7069/3.0=2, 2899/3.0=1 HB VAL 78 - HA LYS 66 poor 8 81 - 10 - 7069/3.0=1, 2899/3.0=1 HB3 GLU 63 - HA ARG 46 poor 8 63 - 12 - 3.0/10240=3, 6752/3.0=1 HG3 ARG 19 - HA ARG 46 lone 5 76 - 7 - HB VAL 78 - HA ARG 46 lone 3 57 - 4 - HB ILE 56 - HA ARG 46 lone 2 79 - 3 - HB3 LYS 82 - HA ARG 46 lone 2 79 - 2 - Peak 2873 from cnoeabs.peaks (1.86, 4.08, 58.43 ppm; 3.13 A): 1 out of 14 assignments used, quality = 1.00: * HB3 LYS 66 + HA LYS 66 OK 100 100 - 100 - 3.0=100 HB3 LYS 68 - HA LYS 66 OK 31 92 - 34 - 4.6/7119=7, 4.0/7102=6...(11) HB3 LYS 66 - HA ARG 46 OK 31 80 - 38 - 2898=9, 1.8/2886=7...(14) HB2 LYS 12 - HA LYS 66 OK 29 100 - 29 - 2888/3.0=4, 7070/3.0=3...(14) HB3 LYS 12 - HA LYS 66 OK 28 99 - 29 - 2888/3.0=4, 7070/3.0=3...(14) HB3 LYS 39 - HA LYS 66 OK 11 100 - 11 - 7070/3.0=2, 7087/3.6=1 HB3 LYS 39 - HA ARG 46 poor 9 80 - 12 - 1.8/2062=2, ~2072=2...(5) HB VAL 5 - HA LYS 66 lone 9 100 - 9 - 7070/3.0=1, 7087/3.6=1 HB3 LYS 68 - HA ARG 46 poor 7 68 - 11 - 4.6/7119=3, 4.0/7102=3 HB3 GLU 104 - HA LYS 66 lone 6 94 - 7 - ~7060=1, 7070/3.0=1 HB2 LYS 12 - HA ARG 46 lone 4 79 - 5 - HB3 LYS 12 - HA ARG 46 lone 3 77 - 4 - HB3 GLU 104 - HA ARG 46 lone 1 70 - 2 - HB VAL 5 - HA ARG 46 lone 1 80 - 1 - Peak 2874 from cnoeabs.peaks (1.49, 4.08, 58.43 ppm; 3.22 A): 2 out of 22 assignments used, quality = 0.99: * HG2 LYS 66 + HA LYS 66 OK 89 100 - 89 - 3.7=65, 2.9/2942=13...(24) HG3 LYS 66 + HA LYS 66 OK 89 100 - 89 - 3.7=65, 2.9/2942=13...(24) HB3 LEU 64 - HA LYS 66 OK 44 100 - 44 - ~7063=7, 3.1/9513=5...(16) HG LEU 64 - HA LYS 66 OK 32 90 - 36 - 2.1/9513=7, 3.0/2882=4...(14) HG2 LYS 66 - HA ARG 46 OK 26 80 - 32 - 3.0/2898=6, 3.0/2886=6...(9) HG3 LYS 66 - HA ARG 46 OK 26 79 - 32 - 3.0/2898=6, 3.0/2886=6...(9) HB2 ARG 91 - HA ARG 46 OK 15 77 - 20 - 4025/3.6=5, 3.0/10174=2...(8) HG2 LYS 47 - HA ARG 46 OK 14 80 - 17 - 6772/3.6=6, 3.8/12306=2...(5) HG LEU 57 - HA LYS 66 OK 13 92 - 15 - 2.1/9511=3, ~9516=2...(7) HG2 LYS 73 - HA LYS 66 OK 10 100 - 10 - 1.8/2876=1 HB2 ARG 91 - HA LYS 66 lone 8 99 - 8 - HG3 LYS 13 - HA LYS 66 lone 7 98 - 7 - HG3 LYS 24 - HA LYS 66 poor 7 70 - 10 - 1.8/2876=1 HG LEU 57 - HA ARG 46 lone 7 68 - 10 - 2628/4.1=2, 2.1/9511=2 HG2 LYS 47 - HA LYS 66 lone 6 100 - 6 - 4.9/6762=2 HB3 LEU 64 - HA ARG 46 lone 5 80 - 6 - HG2 LYS 73 - HA ARG 46 lone 4 80 - 5 - 6772/3.6=2 HG3 LYS 13 - HA ARG 46 lone 4 76 - 5 - 6772/3.6=2 HG LEU 64 - HA ARG 46 lone 3 66 - 5 - HG3 LYS 24 - HA ARG 46 lone 2 48 - 5 - 6772/3.6=1 HG3 LYS 33 - HA LYS 66 lone 1 84 - 1 - HG3 LYS 33 - HA ARG 46 lone 1 60 - 2 - Peak 2875 from cnoeabs.peaks (1.49, 4.08, 58.43 ppm; 3.22 A): 2 out of 22 assignments used, quality = 0.99: * HG3 LYS 66 + HA LYS 66 OK 89 100 - 89 - 3.7=65, 2.9/2942=13...(24) HG2 LYS 66 + HA LYS 66 OK 89 100 - 89 - 3.7=65, 2.9/2942=13...(24) HB3 LEU 64 - HA LYS 66 OK 44 100 - 44 - ~7063=7, 3.1/9513=5...(16) HG LEU 64 - HA LYS 66 OK 30 84 - 36 - 2.1/9513=7, 3.0/2883=4...(14) HG3 LYS 66 - HA ARG 46 OK 26 80 - 32 - 3.0/2898=6, 3.0/2886=6...(9) HG2 LYS 66 - HA ARG 46 OK 26 79 - 32 - 3.0/2898=6, 3.0/2886=6...(9) HB2 ARG 91 - HA ARG 46 OK 15 74 - 20 - 4025/3.6=5, 3.0/10174=2...(8) HG LEU 57 - HA LYS 66 OK 14 96 - 15 - 2.1/9511=3, ~9516=2...(7) HG2 LYS 47 - HA ARG 46 OK 14 79 - 17 - 6772/3.6=6, 3.8/12306=2...(5) HG2 LYS 73 - HA LYS 66 OK 10 100 - 10 - 1.8/2876=1 HG3 LYS 24 - HA LYS 66 poor 8 77 - 10 - 1.8/2876=1 HB2 ARG 91 - HA LYS 66 lone 8 97 - 8 - HG3 LYS 13 - HA LYS 66 lone 7 99 - 7 - HG LEU 57 - HA ARG 46 poor 7 72 - 10 - 2628/4.1=2, 2.1/9511=2 HG2 LYS 47 - HA LYS 66 lone 6 100 - 6 - 4.9/6762=2 HB3 LEU 64 - HA ARG 46 lone 5 79 - 6 - HG2 LYS 73 - HA ARG 46 lone 4 80 - 5 - 6772/3.6=2 HG3 LYS 13 - HA ARG 46 lone 4 78 - 5 - 6772/3.6=2 HG LEU 64 - HA ARG 46 lone 3 60 - 5 - HG3 LYS 24 - HA ARG 46 lone 3 54 - 5 - 6772/3.6=1 HG3 LYS 33 - HA LYS 66 lone 1 90 - 1 - HG3 LYS 33 - HA ARG 46 lone 1 66 - 2 - Peak 2876 from cnoeabs.peaks (1.60, 4.08, 58.43 ppm; 3.74 A): 3 out of 26 assignments used, quality = 0.96: * HD2 LYS 66 + HA LYS 66 OK 91 100 - 91 - 5.1=40, 1.8/2942=23...(30) HG3 LYS 12 + HA LYS 66 OK 35 97 - 37 - 2891/3.0=4, 2903/3.0=4...(17) HD2 LYS 66 + HA ARG 46 OK 32 80 - 40 - 2931=9, 1.8/2942=8...(9) HG2 ARG 19 - HA LYS 66 OK 22 73 - 30 - 1.8/2872=4, ~7069=3...(12) HG LEU 27 - HA LYS 66 OK 21 100 - 21 - ~1219=2, 7073/3.0=2...(12) HD3 LYS 94 - HA LYS 66 OK 21 100 - 21 - 7090/3.6=2, 2903/3.0=2...(9) HG3 LYS 73 - HA LYS 66 OK 16 100 - 15 - 2903/3.0=2, 2891/3.0=2...(7) HG2 LYS 24 - HA LYS 66 OK 12 77 - 15 - 2903/3.0=1, 2891/3.0=1...(4) HB3 LEU 29 - HA LYS 66 OK 12 99 - 12 - 2903/3.0=2, 2891/3.0=2...(4) HB2 ARG 30 - HA LYS 66 lone 9 100 - 9 - 7073/3.0=1 HG3 LYS 90 - HA ARG 46 poor 7 48 - 15 - 2.8/2061=2, ~2081=2...(7) HB2 LEU 103 - HA LYS 66 lone 6 73 - 8 - 3.1/9513=1, ~9506=1 HG LEU 103 - HA LYS 66 lone 5 61 - 8 - 2.1/9513=2, ~9506=1 HB2 ARG 79 - HA LYS 66 lone 4 100 - 4 - HG3 LYS 12 - HA ARG 46 lone 4 74 - 6 - HG2 ARG 19 - HA ARG 46 lone 4 51 - 8 - HG3 LYS 90 - HA LYS 66 lone 4 70 - 5 - HG2 LYS 24 - HA ARG 46 lone 4 54 - 7 - HG3 LYS 73 - HA ARG 46 lone 3 79 - 4 - HD3 LYS 94 - HA ARG 46 lone 3 79 - 4 - HB2 ARG 30 - HA ARG 46 lone 2 79 - 2 - HG LEU 27 - HA ARG 46 lone 2 79 - 2 - HB3 LEU 29 - HA ARG 46 lone 1 77 - 2 - HB2 ARG 79 - HA ARG 46 lone 1 80 - 1 - HB2 LEU 103 - HA ARG 46 lone 1 51 - 1 - HG LEU 103 - HA ARG 46 lone 1 42 - 1 - Peak 2877 from cnoeabs.peaks (1.70, 4.08, 58.43 ppm; 3.23 A): 5 out of 32 assignments used, quality = 0.94: * HD3 LYS 66 + HA LYS 66 OK 78 100 - 78 - 5.1=25, 1.8/2931=13...(29) HG LEU 70 + HA LYS 66 OK 30 100 - 31 - 4.9/7139=5, 10959/3.7=3...(15) HD3 LYS 12 + HA LYS 66 OK 28 100 - 28 - 2892/3.0=3, 3.0/2876=2...(14) HD2 LYS 12 + HA LYS 66 OK 28 100 - 28 - 2892/3.0=3, 3.0/2876=2...(14) HG2 PRO 86 + HA LYS 66 OK 25 94 - 27 - 2.3/2882=4, 2.3/3823=4...(12) HD3 LYS 66 - HA ARG 46 OK 25 80 - 31 - 2942=8, 1.8/2931=5...(9) HB3 LEU 70 - HA LYS 66 OK 17 81 - 22 - 3.9/7139=6, 3.1/9511=2...(10) HG12 ILE 15 - HA ARG 46 OK 13 72 - 18 - 668/3.0=3, ~684=3...(6) HB2 LEU 2 - HA LYS 66 OK 12 100 - 12 - 3.1/9513=1, 7074/3.0=1 HD3 LYS 24 - HA LYS 66 OK 12 99 - 12 - 2904/3.0=1, 2892/3.0=1 HD2 LYS 24 - HA LYS 66 OK 12 98 - 12 - 2892/3.0=1, 2904/3.0=1 HD2 LYS 13 - HA LYS 66 lone 9 100 - 9 - HD3 LYS 13 - HA LYS 66 lone 9 100 - 9 - HG12 ILE 15 - HA LYS 66 lone 9 96 - 10 - ~8436=1 HD3 LYS 90 - HA ARG 46 poor 8 77 - 10 - 3989/3.6=2, 3.6/2061=1...(5) HB3 ARG 91 - HA ARG 46 poor 7 42 - 17 - 3.0/10174=2, ~1958=2...(9) HG LEU 70 - HA ARG 46 lone 5 79 - 7 - 4.9/7139=2 HB3 ARG 91 - HA LYS 66 lone 5 61 - 8 - HD3 LYS 90 - HA LYS 66 lone 5 99 - 5 - HG2 PRO 86 - HA ARG 46 lone 4 70 - 6 - HB2 LEU 2 - HA ARG 46 lone 4 80 - 5 - HD3 LYS 12 - HA ARG 46 lone 4 80 - 5 - HD2 LYS 12 - HA ARG 46 lone 4 80 - 5 - HB3 LYS 53 - HA LYS 66 lone 4 73 - 5 - 4.4/2880=1 HD3 LYS 24 - HA ARG 46 lone 4 77 - 5 - HD2 LYS 24 - HA ARG 46 lone 4 76 - 5 - HB3 LEU 70 - HA ARG 46 lone 3 57 - 6 - 3.9/7139=3 HB3 LYS 53 - HA ARG 46 lone 3 51 - 6 - HD2 LYS 13 - HA ARG 46 lone 2 80 - 3 - HD3 LYS 13 - HA ARG 46 lone 2 80 - 3 - HB3 LYS 40 - HA ARG 46 lone 1 45 - 3 - HB3 LYS 40 - HA LYS 66 lone 1 65 - 2 - Peak 2878 from cnoeabs.peaks (2.90, 4.08, 58.43 ppm; 4.08 A): 2 out of 18 assignments used, quality = 0.99: * HE2 LYS 66 + HA LYS 66 OK 92 100 - 92 - 6.1=30, 2.9/2942=20...(33) HE3 LYS 66 + HA LYS 66 OK 90 98 - 92 - 6.1=30, 2.9/2942=20...(31) HE3 LYS 68 - HA LYS 66 OK 38 84 - 46 - 7.2/7102=5, 2964=5...(23) HE2 LYS 68 - HA LYS 66 OK 35 77 - 46 - 7.2/7102=5, 1.8/2964=4...(22) HE2 LYS 66 - HA ARG 46 OK 31 80 - 38 - 2.9/2942=8, 2.9/2931=7...(9) HE3 LYS 66 - HA ARG 46 OK 29 76 - 38 - 2.9/2942=8, 2.9/2931=7...(9) HE3 LYS 94 - HA LYS 66 OK 14 73 - 19 - 3.0/2876=2, 2906/3.0=2...(10) HE2 LYS 20 - HA LYS 66 OK 11 70 - 15 - 7076/3.0=2, 2906/3.0=1...(4) HE3 LYS 20 - HA LYS 66 OK 10 65 - 15 - 7076/3.0=2, ~7076=1...(4) HB2 ASN 60 - HA LYS 66 lone 9 100 - 9 - 4.0/12313=2, 2893/3.0=1 HE3 LYS 39 - HA LYS 66 lone 6 65 - 8 - 3.5/10611=1 HE3 LYS 68 - HA ARG 46 lone 5 60 - 9 - 7.2/7102=2 HE2 LYS 68 - HA ARG 46 lone 5 54 - 8 - 7.2/7102=2 HE3 LYS 39 - HA ARG 46 lone 2 45 - 5 - 4.9/2062=1, 3.5/10611=1 HB2 ASN 60 - HA ARG 46 lone 2 79 - 2 - HE3 LYS 94 - HA ARG 46 lone 2 51 - 3 - HE2 LYS 20 - HA ARG 46 lone 1 48 - 2 - HE3 LYS 20 - HA ARG 46 lone 1 45 - 2 - Peak 2879 from cnoeabs.peaks (2.90, 4.08, 58.43 ppm; 3.83 A): 2 out of 18 assignments used, quality = 0.98: * HE3 LYS 66 + HA LYS 66 OK 88 100 - 88 - 6.1=25, 2.9/2942=18...(31) HE2 LYS 66 + HA LYS 66 OK 86 98 - 88 - 6.1=25, 2.9/2942=18...(33) HE3 LYS 68 - HA LYS 66 OK 41 97 - 42 - 2964=5, 7.2/7102=4...(21) HE2 LYS 68 - HA LYS 66 OK 40 94 - 42 - 7.2/7102=4, 2964=4...(21) HE3 LYS 66 - HA ARG 46 OK 28 80 - 35 - 2.9/2942=7, 2.9/2931=6...(9) HE2 LYS 66 - HA ARG 46 OK 26 76 - 35 - 2.9/2942=7, 2.9/2931=6...(9) HE3 LYS 94 - HA LYS 66 OK 16 92 - 18 - 3.0/2876=2, 2906/3.0=1...(7) HE2 LYS 20 - HA LYS 66 OK 13 90 - 14 - 7076/3.0=1, 2906/3.0=1 HE3 LYS 20 - HA LYS 66 OK 12 87 - 14 - 7076/3.0=1, 2906/3.0=1 HE2 LYS 94 - HA LYS 66 OK 11 61 - 18 - 3.0/2876=2, 3.9/10611=1 HB2 ASN 60 - HA LYS 66 lone 7 94 - 7 - 4.0/12313=1 HE3 LYS 68 - HA ARG 46 lone 6 74 - 8 - 7.2/7102=2 HE2 LYS 68 - HA ARG 46 lone 5 70 - 8 - 7.2/7102=2 HE3 LYS 94 - HA ARG 46 lone 2 68 - 3 - HB2 ASN 60 - HA ARG 46 lone 1 70 - 2 - HE2 LYS 20 - HA ARG 46 lone 1 66 - 2 - HE3 LYS 20 - HA ARG 46 lone 1 63 - 2 - HE2 LYS 94 - HA ARG 46 lone 1 42 - 2 - Peak 2880 from cnoeabs.peaks (8.48, 4.08, 58.43 ppm; 4.10 A): 1 out of 12 assignments used, quality = 1.00: * H ALA 67 + HA LYS 66 OK 100 100 - 100 - 3.6=100 H VAL 32 - HA LYS 66 OK 27 100 - 27 - 7077/3.0=7, 2895/3.0=5...(7) H ALA 67 - HA ARG 46 OK 27 80 - 33 - 7085=10, 4.7/2886=6...(8) H VAL 54 - HA LYS 66 OK 19 92 - 21 - 7077/3.0=4, 2895/3.0=4...(7) H LYS 53 - HA LYS 66 OK 12 84 - 15 - 7077/3.0=3, 2907/3.0=2...(5) H THR 31 - HA LYS 66 poor 8 73 - 11 - 7077/3.0=2, 2907/3.0=2 H ARG 79 - HA LYS 66 poor 7 61 - 11 - 2895/3.0=2, 7077/3.0=2 H VAL 32 - HA ARG 46 lone 4 80 - 5 - H VAL 54 - HA ARG 46 lone 4 68 - 6 - H LYS 53 - HA ARG 46 lone 4 60 - 6 - 6875/4.1=1, 4.3/9511=1 H THR 31 - HA ARG 46 lone 2 51 - 3 - H ARG 79 - HA ARG 46 lone 1 42 - 3 - Peak 2881 from cnoeabs.peaks (7.90, 4.08, 58.43 ppm; 3.71 A): 4 out of 6 assignments used, quality = 0.84: * H GLU 69 + HA LYS 66 OK 67 100 - 67 - 7119=28, 7120/3.6=12...(16) H ASP 65 + HA LYS 66 OK 29 65 - 45 - 7064/3.0=15, 7082/3.6=8...(13) H GLU 69 + HA ARG 46 OK 22 80 - 27 - 7119=11, 4.6/7102=3...(7) H GLN 72 + HA LYS 66 OK 16 98 - 16 - 7097/3.6=4, 9557/3.0=3...(6) H ASP 65 - HA ARG 46 poor 5 45 - 11 - 4.6/7068=4, 4.6/12313=1 H GLN 72 - HA ARG 46 lone 3 76 - 5 - Peak 2882 from cnoeabs.peaks (2.13, 4.08, 58.43 ppm; 3.17 A): 7 out of 22 assignments used, quality = 0.88: HB3 GLU 69 + HA LYS 66 OK 34 100 - 35 - 3102=10, 4.0/7119=8...(8) * HB2 GLU 69 + HA LYS 66 OK 34 100 - 35 - 3102=10, 4.0/7119=8...(8) HB2 LEU 64 + HA LYS 66 OK 33 81 - 41 - ~7063=6, 3.1/9513=5...(20) HB2 PRO 86 + HA LYS 66 OK 30 97 - 31 - 3815=5, 1.8/3823=4...(16) HG2 GLU 69 + HA LYS 66 OK 23 100 - 23 - 5.1/7119=6, 3.0/3094=6...(6) HB2 GLU 69 + HA ARG 46 OK 11 80 - 14 - 3094=4, 4.0/7119=3...(4) HB3 GLU 69 + HA ARG 46 OK 11 80 - 14 - 3094=4, 4.0/7119=3...(4) HG2 GLU 69 - HA ARG 46 lone 7 80 - 9 - 5.1/7119=2, 3.0/3094=2 HB3 GLU 37 - HA ARG 46 lone 6 80 - 8 - 1596/3.0=2, ~6737=1 HB2 PRO 86 - HA ARG 46 lone 6 74 - 8 - 3815=1 HB VAL 83 - HA LYS 66 lone 5 81 - 6 - 2.1/9823=2 HB3 GLU 37 - HA LYS 66 lone 4 100 - 4 - HG2 GLU 44 - HA LYS 66 lone 4 96 - 4 - HB2 LEU 64 - HA ARG 46 lone 3 57 - 4 - HG3 GLU 37 - HA LYS 66 lone 2 70 - 3 - ~12287=1 HG3 GLU 37 - HA ARG 46 lone 2 48 - 4 - HB VAL 83 - HA ARG 46 lone 2 57 - 3 - 2.1/9823=2 HG2 GLU 88 - HA ARG 46 lone 1 54 - 3 - HB2 GLU 75 - HA LYS 66 lone 1 94 - 1 - HG2 GLU 44 - HA ARG 46 lone 1 72 - 1 - HG2 GLU 88 - HA LYS 66 lone 1 77 - 1 - HB2 GLU 75 - HA ARG 46 lone 0 70 - 1 - Peak 2883 from cnoeabs.peaks (2.13, 4.08, 58.43 ppm; 3.17 A): 7 out of 22 assignments used, quality = 0.88: * HB3 GLU 69 + HA LYS 66 OK 34 100 - 35 - 3102=10, 4.0/7119=8...(8) HB2 GLU 69 + HA LYS 66 OK 34 100 - 35 - 3102=10, 4.0/7119=8...(8) HB2 LEU 64 + HA LYS 66 OK 33 81 - 41 - ~7063=6, 3.1/9513=5...(20) HB2 PRO 86 + HA LYS 66 OK 30 97 - 31 - 3815=5, 1.8/3823=4...(16) HG2 GLU 69 + HA LYS 66 OK 23 100 - 23 - 5.1/7119=6, 3.0/3094=6...(6) HB2 GLU 69 + HA ARG 46 OK 11 80 - 14 - 3094=4, 4.0/7119=3...(4) HB3 GLU 69 + HA ARG 46 OK 11 80 - 14 - 3094=4, 4.0/7119=3...(4) HG2 GLU 69 - HA ARG 46 lone 7 80 - 9 - 5.1/7119=2, 3.0/3094=2 HB3 GLU 37 - HA ARG 46 lone 6 80 - 8 - 1596/3.0=2, ~6737=1 HB2 PRO 86 - HA ARG 46 lone 6 74 - 8 - 3815=1 HB VAL 83 - HA LYS 66 lone 5 81 - 6 - 2.1/9823=2 HB3 GLU 37 - HA LYS 66 lone 4 100 - 4 - HG2 GLU 44 - HA LYS 66 lone 4 96 - 4 - HB2 LEU 64 - HA ARG 46 lone 3 57 - 4 - HG3 GLU 37 - HA LYS 66 lone 2 70 - 3 - ~12287=1 HG3 GLU 37 - HA ARG 46 lone 2 48 - 4 - HB VAL 83 - HA ARG 46 lone 2 57 - 3 - 2.1/9823=2 HG2 GLU 88 - HA ARG 46 lone 1 54 - 3 - HB2 GLU 75 - HA LYS 66 lone 1 94 - 1 - HG2 GLU 44 - HA ARG 46 lone 1 72 - 1 - HG2 GLU 88 - HA LYS 66 lone 1 77 - 1 - HB2 GLU 75 - HA ARG 46 lone 0 70 - 1 - Peak 2884 from cnoeabs.peaks (3.91, 1.77, 31.73 ppm; 4.02 A): 3 out of 5 assignments used, quality = 0.89: * HA GLU 63 + HB2 LYS 66 OK 85 100 - 85 - 2771/1.8=30...(27) HB3 SER 9 + HB2 LYS 66 OK 14 87 - 16 - 2896/1.8=4, 7061/4.0=3...(5) HA ALA 89 + HB2 LYS 66 OK 13 84 - 16 - 2896/1.8=4, 7061/4.0=2...(6) HA TYR 41 - HB2 LYS 66 poor 10 84 - 11 - 2896/1.8=3, 7061/4.0=3...(4) HB2 SER 85 - HB2 LYS 66 lone 8 90 - 9 - 2896/1.8=2, 7061/4.0=1 Peak 2885 from cnoeabs.peaks (7.80, 1.77, 31.73 ppm; 3.42 A): 5 out of 6 assignments used, quality = 0.94: * H LYS 66 + HB2 LYS 66 OK 85 100 - 85 - 4.0=60, 2897/1.8=20...(16) H LYS 20 + HB2 LYS 66 OK 28 92 - 31 - 2897/1.8=5, 6303=5...(14) H GLU 28 + HB2 LYS 66 OK 19 99 - 19 - 2897/1.8=5, 2870/3.0=3...(7) H SER 9 + HB2 LYS 66 OK 18 94 - 19 - 2897/1.8=4, 2870/3.0=2...(8) H GLU 99 + HB2 LYS 66 OK 11 96 - 11 - 2897/1.8=2, 2870/3.0=2 HE ARG 30 - HB2 LYS 66 lone 7 84 - 8 - 2897/1.8=2 Peak 2886 from cnoeabs.peaks (4.08, 1.77, 31.73 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 66 + HB2 LYS 66 OK 100 100 - 100 - 3.0=100 HA ARG 46 - HB2 LYS 66 OK 43 99 - 43 - 2898/1.8=9, 2872=6...(14) HA PRO 86 - HB2 LYS 66 OK 31 87 - 36 - 2898/1.8=6, 2942/3.6=5...(15) Peak 2887 from cnoeabs.peaks (1.77, 1.77, 31.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 66 + HB2 LYS 66 OK 100 100 - 100 Peak 2888 from cnoeabs.peaks (1.86, 1.77, 31.73 ppm; 2.65 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LYS 66 + HB2 LYS 66 OK 100 100 - 100 - 1.8=100 HB2 LYS 12 - HB2 LYS 66 OK 24 100 - 24 - 2933/3.6=2, 2944/3.6=2...(11) HB3 LYS 12 - HB2 LYS 66 OK 24 99 - 24 - 2933/3.6=2, 2944/3.6=2...(11) HB3 LYS 68 - HB2 LYS 66 OK 17 92 - 19 - 7070/4.0=2, 2873/3.0=2...(7) HB3 LYS 39 - HB2 LYS 66 lone 7 100 - 7 - HB VAL 5 - HB2 LYS 66 lone 6 100 - 6 - HB3 GLU 104 - HB2 LYS 66 lone 4 94 - 4 - Peak 2889 from cnoeabs.peaks (1.49, 1.77, 31.73 ppm; 3.20 A): 2 out of 11 assignments used, quality = 1.00: * HG2 LYS 66 + HB2 LYS 66 OK 100 100 - 100 - 3.0=100 HG3 LYS 66 + HB2 LYS 66 OK 100 100 - 100 - 3.0=100 HB3 LEU 64 - HB2 LYS 66 OK 43 100 - 44 - 4.6/10776=5, 2901/1.8=4...(20) HG LEU 64 - HB2 LYS 66 OK 36 90 - 40 - 2.1/10255=5, 2.1/10253=4...(22) HG LEU 57 - HB2 LYS 66 OK 18 92 - 19 - 2.1/9514=2, ~9516=2...(7) HG2 LYS 73 - HB2 LYS 66 OK 13 100 - 13 - 1.8/2891=2, 2902/1.8=1...(4) HB2 ARG 91 - HB2 LYS 66 OK 12 99 - 13 - 2901/1.8=1, 2945/3.6=1 HG3 LYS 13 - HB2 LYS 66 lone 10 98 - 10 - 2902/1.8=1 HG3 LYS 24 - HB2 LYS 66 poor 9 70 - 13 - 1.8/2891=1, 3.0/2892=1 HG2 LYS 47 - HB2 LYS 66 lone 4 100 - 4 - HG3 LYS 33 - HB2 LYS 66 lone 2 84 - 2 - Peak 2890 from cnoeabs.peaks (1.49, 1.77, 31.73 ppm; 3.20 A): 2 out of 11 assignments used, quality = 1.00: * HG3 LYS 66 + HB2 LYS 66 OK 100 100 - 100 - 3.0=100 HG2 LYS 66 + HB2 LYS 66 OK 100 100 - 100 - 3.0=100 HB3 LEU 64 - HB2 LYS 66 OK 43 100 - 44 - 4.6/10776=5, 2902/1.8=4...(20) HG LEU 64 - HB2 LYS 66 OK 33 84 - 40 - 2.1/10255=5, 2.1/10253=4...(22) HG LEU 57 - HB2 LYS 66 OK 18 96 - 19 - 2.1/9514=2, ~9516=2...(7) HG2 LYS 73 - HB2 LYS 66 OK 13 100 - 13 - 1.8/2891=2, 2902/1.8=1...(4) HB2 ARG 91 - HB2 LYS 66 OK 12 97 - 12 - 2901/1.8=1, 2945/3.6=1 HG3 LYS 24 - HB2 LYS 66 OK 10 77 - 13 - 1.8/2891=1, 3.0/2892=1 HG3 LYS 13 - HB2 LYS 66 lone 10 99 - 10 - 2902/1.8=1 HG2 LYS 47 - HB2 LYS 66 lone 4 100 - 4 - HG3 LYS 33 - HB2 LYS 66 lone 2 90 - 2 - Peak 2891 from cnoeabs.peaks (1.60, 1.77, 31.73 ppm; 4.11 A): 2 out of 13 assignments used, quality = 1.00: * HD2 LYS 66 + HB2 LYS 66 OK 100 100 - 100 - 3.6=100 HG3 LYS 12 + HB2 LYS 66 OK 49 97 - 51 - 2903/1.8=6, 3.0/2888=6...(20) HG2 ARG 19 - HB2 LYS 66 OK 31 73 - 42 - 3.0/804=5, 3.0/794=5...(19) HD3 LYS 94 - HB2 LYS 66 OK 26 100 - 26 - 2903/1.8=3, 2947/3.6=2...(12) HG3 LYS 73 - HB2 LYS 66 OK 21 100 - 21 - 2903/1.8=3, 2947/3.6=2...(9) HB3 LEU 29 - HB2 LYS 66 OK 19 99 - 19 - 3.1/8673=3, 2903/1.8=3...(6) HG2 LYS 24 - HB2 LYS 66 OK 16 77 - 21 - 2903/1.8=2, 3.0/2892=2...(7) HG LEU 27 - HB2 LYS 66 OK 16 100 - 16 - 7073/4.0=2, 2876/3.0=2...(6) HB2 ARG 30 - HB2 LYS 66 OK 11 100 - 11 - 2903/1.8=1, 4.7/2895=1 HB2 ARG 79 - HB2 LYS 66 lone 7 100 - 7 - 4.1/2895=1 HB2 LEU 103 - HB2 LYS 66 lone 6 73 - 8 - HG LEU 103 - HB2 LYS 66 lone 5 61 - 8 - ~9513=1 HG3 LYS 90 - HB2 LYS 66 lone 5 70 - 6 - Peak 2892 from cnoeabs.peaks (1.70, 1.77, 31.73 ppm; 3.42 A): 1 out of 16 assignments used, quality = 0.97: * HD3 LYS 66 + HB2 LYS 66 OK 97 100 - 97 - 3.6=84, 1.8/2932=23...(35) HD3 LYS 12 - HB2 LYS 66 OK 40 100 - 41 - 3.6/2888=4, 3.6/2888=4...(19) HD2 LYS 12 - HB2 LYS 66 OK 40 100 - 41 - 3.6/2888=4, 3.6/2888=4...(19) HG LEU 70 - HB2 LYS 66 OK 35 100 - 35 - 10959/3.0=5, 10959/3.0=5...(14) HG2 PRO 86 - HB2 LYS 66 OK 30 94 - 32 - 3.8/2886=4, 2904/1.8=3...(15) HB3 LEU 70 - HB2 LYS 66 OK 20 81 - 25 - 3.1/9514=3, 3.1/9514=3...(13) HD3 LYS 24 - HB2 LYS 66 OK 16 99 - 16 - 2904/1.8=2, 3.0/2891=1, ~2904=1 HD2 LYS 24 - HB2 LYS 66 OK 16 98 - 16 - 2904/1.8=2, 3.0/2891=1, ~2904=1 HD3 LYS 13 - HB2 LYS 66 OK 14 100 - 13 - 2904/1.8=1 HD2 LYS 13 - HB2 LYS 66 OK 14 100 - 13 - 2904/1.8=1 HB2 LEU 2 - HB2 LYS 66 OK 12 100 - 12 - 3.1/9514=2, 2904/1.8=1 HG12 ILE 15 - HB2 LYS 66 OK 10 96 - 10 - 3.2/9514=1, 2904/1.8=1 HB3 ARG 91 - HB2 LYS 66 poor 8 61 - 13 - 1.8/2889=1 HB3 LYS 53 - HB2 LYS 66 lone 5 73 - 6 - 4.4/2895=2, 3.9/2895=1 HD3 LYS 90 - HB2 LYS 66 lone 4 99 - 4 - HB3 LYS 40 - HB2 LYS 66 lone 1 65 - 2 - Peak 2893 from cnoeabs.peaks (2.90, 1.77, 31.73 ppm; 4.35 A): 2 out of 9 assignments used, quality = 1.00: * HE2 LYS 66 + HB2 LYS 66 OK 99 100 - 99 - 4.7=78, 2.9/2932=25...(40) HE3 LYS 66 + HB2 LYS 66 OK 97 98 - 99 - 4.7=78, 2.9/2932=25...(38) HE3 LYS 68 - HB2 LYS 66 OK 39 84 - 46 - 2906/1.8=5, 2965=4...(24) HE2 LYS 68 - HB2 LYS 66 OK 36 77 - 47 - 2906/1.8=5, ~2906=4...(24) HE3 LYS 94 - HB2 LYS 66 OK 16 73 - 22 - 3.0/2891=3, 2906/1.8=2...(10) HB2 ASN 60 - HB2 LYS 66 OK 12 100 - 12 - 4.0/9414=2, 12318/2884=1 HE2 LYS 20 - HB2 LYS 66 OK 12 70 - 17 - 7.3/6303=2, 2906/1.8=2...(5) HE3 LYS 20 - HB2 LYS 66 OK 11 65 - 16 - 7.3/6303=2, 2906/1.8=2...(6) HE3 LYS 39 - HB2 LYS 66 lone 6 65 - 9 - 4.9/2888=1 Peak 2894 from cnoeabs.peaks (2.90, 1.77, 31.73 ppm; 4.32 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 66 + HB2 LYS 66 OK 98 100 - 98 - 4.7=76, 2.9/2932=24...(38) HE2 LYS 66 + HB2 LYS 66 OK 97 98 - 98 - 4.7=76, 2.9/2932=24...(40) HE3 LYS 68 - HB2 LYS 66 OK 45 97 - 47 - 2906/1.8=5, 2965=4...(24) HE2 LYS 68 - HB2 LYS 66 OK 44 94 - 47 - 2906/1.8=5, ~2906=4...(24) HE3 LYS 94 - HB2 LYS 66 OK 20 92 - 22 - 3.0/2891=3, 2906/1.8=2...(10) HE2 LYS 20 - HB2 LYS 66 OK 15 90 - 17 - 7.3/6303=2, 2906/1.8=2...(6) HE3 LYS 20 - HB2 LYS 66 OK 15 87 - 17 - 7.3/6303=2, 2906/1.8=2...(5) HE2 LYS 94 - HB2 LYS 66 OK 14 61 - 22 - 3.0/2891=3, ~2903=2...(9) HB2 ASN 60 - HB2 LYS 66 OK 11 94 - 11 - 4.0/9414=2, 12318/2884=1 Peak 2895 from cnoeabs.peaks (8.48, 1.77, 31.73 ppm; 3.78 A): 3 out of 6 assignments used, quality = 0.89: * H ALA 67 + HB2 LYS 66 OK 82 100 - 82 - 4.7=54, 2907/1.8=20...(15) H VAL 32 + HB2 LYS 66 OK 24 100 - 24 - 2907/1.8=6, 7077/4.0=4...(7) H VAL 54 + HB2 LYS 66 OK 17 92 - 19 - 2907/1.8=4, 7077/4.0=3...(7) H LYS 53 - HB2 LYS 66 poor 10 84 - 12 - 2907/1.8=3, 7077/4.0=2...(4) H THR 31 - HB2 LYS 66 poor 8 73 - 10 - 2907/1.8=2, 7077/4.0=1 H ARG 79 - HB2 LYS 66 poor 8 61 - 12 - 2907/1.8=2, 7077/4.0=1 Peak 2896 from cnoeabs.peaks (3.91, 1.86, 31.73 ppm; 3.98 A): 3 out of 5 assignments used, quality = 0.89: * HA GLU 63 + HB3 LYS 66 OK 86 100 - 86 - 2771=35, 2884/1.8=24...(24) HB3 SER 9 + HB3 LYS 66 OK 13 87 - 15 - 2884/1.8=4, 7061/4.0=3...(5) HA ALA 89 + HB3 LYS 66 OK 12 84 - 15 - 2884/1.8=4, 7061/4.0=2...(6) HA TYR 41 - HB3 LYS 66 poor 9 84 - 11 - 2884/1.8=3, 7061/4.0=3...(4) HB2 SER 85 - HB3 LYS 66 lone 7 90 - 8 - 2884/1.8=2, 7061/4.0=1 Peak 2897 from cnoeabs.peaks (7.80, 1.86, 31.73 ppm; 3.31 A): 5 out of 6 assignments used, quality = 0.92: * H LYS 66 + HB3 LYS 66 OK 83 100 - 83 - 4.0=54, 7069/1.8=18...(18) H GLU 28 + HB3 LYS 66 OK 20 99 - 20 - 2885/1.8=4, 2870/3.0=2...(8) H LYS 20 + HB3 LYS 66 OK 20 92 - 21 - 2885/1.8=6, 2870/3.0=2...(8) H SER 9 + HB3 LYS 66 OK 16 94 - 18 - 2885/1.8=4, 2870/3.0=2...(9) H GLU 99 + HB3 LYS 66 OK 10 96 - 10 - 2885/1.8=2, 2870/3.0=2 HE ARG 30 - HB3 LYS 66 lone 6 84 - 7 - 2885/1.8=1 Peak 2898 from cnoeabs.peaks (4.08, 1.86, 31.73 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 66 + HB3 LYS 66 OK 100 100 - 100 - 3.0=100 HA ARG 46 - HB3 LYS 66 OK 41 99 - 41 - 2886/1.8=9, 2873=6...(15) HA PRO 86 - HB3 LYS 66 OK 30 87 - 34 - 2886/1.8=6, 2942/3.6=5...(15) Peak 2899 from cnoeabs.peaks (1.77, 1.86, 31.73 ppm; 2.64 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LYS 66 + HB3 LYS 66 OK 100 100 - 100 - 1.8=100 HB3 GLU 63 - HB3 LYS 66 OK 35 87 - 41 - 3.0/2771=10, ~2884=5...(15) HG3 ARG 19 - HB3 LYS 66 OK 18 98 - 19 - ~813=2, 2932/3.6=2...(9) HB ILE 56 - HB3 LYS 66 OK 14 100 - 14 - 7086/4.7=2, 2872/3.0=1...(4) HB3 LYS 82 - HB3 LYS 66 lone 9 100 - 9 - ~3651=1 HB VAL 78 - HB3 LYS 66 lone 6 81 - 8 - 2.1/10351=1 Peak 2900 from cnoeabs.peaks (1.86, 1.86, 31.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 66 + HB3 LYS 66 OK 100 100 - 100 Peak 2901 from cnoeabs.peaks (1.49, 1.86, 31.73 ppm; 3.13 A): 2 out of 11 assignments used, quality = 1.00: * HG2 LYS 66 + HB3 LYS 66 OK 100 100 - 100 - 3.0=100 HG3 LYS 66 + HB3 LYS 66 OK 100 100 - 100 - 3.0=100 HB3 LEU 64 - HB3 LYS 66 OK 41 100 - 41 - 4.6/10777=9, 2889/1.8=4...(18) HG LEU 64 - HB3 LYS 66 OK 31 90 - 35 - 2889/1.8=3, ~10255=3...(20) HG LEU 57 - HB3 LYS 66 OK 16 92 - 17 - 2.1/9516=2, ~9514=2...(6) HB2 ARG 91 - HB3 LYS 66 OK 11 99 - 12 - 2889/1.8=1, 2945/3.6=1 HG2 LYS 73 - HB3 LYS 66 OK 11 100 - 11 - 1.8/2903=2, 2890/1.8=1, ~2891=1 HG3 LYS 13 - HB3 LYS 66 lone 10 98 - 10 - HG3 LYS 24 - HB3 LYS 66 poor 8 70 - 11 - 1.8/2903=1, 3.0/2904=1 HG2 LYS 47 - HB3 LYS 66 lone 4 100 - 4 - HG3 LYS 33 - HB3 LYS 66 lone 1 84 - 2 - Peak 2902 from cnoeabs.peaks (1.49, 1.86, 31.73 ppm; 3.13 A): 2 out of 11 assignments used, quality = 1.00: * HG3 LYS 66 + HB3 LYS 66 OK 100 100 - 100 - 3.0=100 HG2 LYS 66 + HB3 LYS 66 OK 100 100 - 100 - 3.0=100 HB3 LEU 64 - HB3 LYS 66 OK 41 100 - 41 - 4.6/10777=9, 2890/1.8=4...(18) HG LEU 64 - HB3 LYS 66 OK 28 84 - 34 - 2889/1.8=3, ~10255=3...(20) HG LEU 57 - HB3 LYS 66 OK 16 96 - 17 - 2.1/9516=2, ~9514=2...(6) HG2 LYS 73 - HB3 LYS 66 OK 11 100 - 11 - 1.8/2903=2, 2890/1.8=1, ~2891=1 HB2 ARG 91 - HB3 LYS 66 OK 11 97 - 11 - 2889/1.8=1, 2945/3.6=1 HG3 LYS 13 - HB3 LYS 66 lone 10 99 - 10 - HG3 LYS 24 - HB3 LYS 66 poor 9 77 - 11 - 1.8/2903=1, 3.0/2904=1 HG2 LYS 47 - HB3 LYS 66 lone 4 100 - 4 - HG3 LYS 33 - HB3 LYS 66 lone 2 90 - 2 - Peak 2903 from cnoeabs.peaks (1.60, 1.86, 31.73 ppm; 4.13 A): 2 out of 13 assignments used, quality = 1.00: * HD2 LYS 66 + HB3 LYS 66 OK 100 100 - 100 - 3.6=100 HG3 LYS 12 + HB3 LYS 66 OK 48 97 - 50 - 2891/1.8=6, 2947/3.6=5...(22) HD3 LYS 94 - HB3 LYS 66 OK 26 100 - 26 - 2891/1.8=3, 2947/3.6=2...(12) HG2 ARG 19 - HB3 LYS 66 OK 24 73 - 33 - 1.8/2899=5, 2891/1.8=4...(15) HG3 LYS 73 - HB3 LYS 66 OK 22 100 - 22 - 2891/1.8=3, 2947/3.6=2...(10) HB3 LEU 29 - HB3 LYS 66 OK 21 99 - 21 - 2891/1.8=2, ~8673=2...(8) HG2 LYS 24 - HB3 LYS 66 OK 17 77 - 21 - 2891/1.8=2, 3.0/2904=2...(9) HG LEU 27 - HB3 LYS 66 OK 16 100 - 16 - 2.1/10484=3, 7073/4.0=2...(6) HB2 ARG 30 - HB3 LYS 66 OK 12 100 - 12 - 4.0/8715=1, 2891/1.8=1...(4) HB2 ARG 79 - HB3 LYS 66 lone 6 100 - 6 - 4.1/2907=1 HB2 LEU 103 - HB3 LYS 66 lone 6 73 - 8 - HG LEU 103 - HB3 LYS 66 lone 5 61 - 8 - ~9513=1 HG3 LYS 90 - HB3 LYS 66 lone 5 70 - 6 - Peak 2904 from cnoeabs.peaks (1.70, 1.86, 31.73 ppm; 3.43 A): 1 out of 16 assignments used, quality = 0.97: * HD3 LYS 66 + HB3 LYS 66 OK 97 100 - 98 - 3.6=85, 2943/1.8=19...(34) HD3 LYS 12 - HB3 LYS 66 OK 35 100 - 35 - 2892/1.8=4, 3.0/2903=3...(15) HD2 LYS 12 - HB3 LYS 66 OK 35 100 - 35 - 2892/1.8=4, 3.0/2903=3...(15) HG LEU 70 - HB3 LYS 66 OK 34 100 - 35 - 10959/3.0=5, 10959/3.0=5...(14) HG2 PRO 86 - HB3 LYS 66 OK 30 94 - 32 - 3.8/2898=4, 2892/1.8=3...(19) HB3 LEU 70 - HB3 LYS 66 OK 21 81 - 26 - 3.1/9516=3, ~9514=2...(14) HD3 LYS 24 - HB3 LYS 66 OK 16 99 - 16 - 2892/1.8=2, 3.0/2903=1, ~2892=1 HD2 LYS 24 - HB3 LYS 66 OK 16 98 - 16 - 2892/1.8=2, 3.0/2903=1, ~2892=1 HD3 LYS 13 - HB3 LYS 66 OK 14 100 - 14 - 2892/1.8=1 HD2 LYS 13 - HB3 LYS 66 OK 14 100 - 14 - 2892/1.8=1 HB2 LEU 2 - HB3 LYS 66 OK 12 100 - 12 - 3.1/9516=1, 2892/1.8=1...(4) HG12 ILE 15 - HB3 LYS 66 OK 10 96 - 10 - 3.2/9516=1, 2.1/8466=1...(4) HB3 ARG 91 - HB3 LYS 66 poor 8 61 - 13 - 1.8/2901=1 HD3 LYS 90 - HB3 LYS 66 lone 5 99 - 5 - HB3 LYS 53 - HB3 LYS 66 lone 5 73 - 6 - 4.4/2907=2, 3.9/2907=1 HB3 LYS 40 - HB3 LYS 66 lone 2 65 - 2 - Peak 2905 from cnoeabs.peaks (2.90, 1.86, 31.73 ppm; 4.10 A): 2 out of 9 assignments used, quality = 1.00: * HE2 LYS 66 + HB3 LYS 66 OK 97 100 - 97 - 4.7=65, ~2932=14...(39) HE3 LYS 66 + HB3 LYS 66 OK 95 98 - 97 - 4.7=65, ~2932=14...(39) HE3 LYS 68 - HB3 LYS 66 OK 35 84 - 42 - 2894/1.8=4, 2879/3.0=3...(23) HE2 LYS 68 - HB3 LYS 66 OK 32 77 - 42 - 2894/1.8=4, ~2894=3...(25) HE3 LYS 94 - HB3 LYS 66 OK 15 73 - 20 - 3.0/2903=3, 2939/3.6=2...(8) HE2 LYS 20 - HB3 LYS 66 OK 10 70 - 14 - 2894/1.8=1, 7076/4.0=1...(5) HE3 LYS 20 - HB3 LYS 66 poor 9 65 - 14 - 2894/1.8=1, 7076/4.0=1...(5) HB2 ASN 60 - HB3 LYS 66 lone 8 100 - 8 - 12318/2771=1, 2893/1.8=1 HE3 LYS 39 - HB3 LYS 66 lone 6 65 - 9 - Peak 2906 from cnoeabs.peaks (2.90, 1.86, 31.73 ppm; 3.99 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 66 + HB3 LYS 66 OK 95 100 - 95 - 4.7=60, ~2932=13...(39) HE2 LYS 66 + HB3 LYS 66 OK 94 98 - 95 - 4.7=60, ~2932=13...(39) HE3 LYS 68 - HB3 LYS 66 OK 39 97 - 41 - 2894/1.8=4, 2879/3.0=3...(23) HE2 LYS 68 - HB3 LYS 66 OK 39 94 - 41 - 2894/1.8=4, 2879/3.0=3...(23) HE3 LYS 94 - HB3 LYS 66 OK 18 92 - 20 - 3.0/2903=2, 2939/3.6=2...(8) HE2 LYS 20 - HB3 LYS 66 OK 13 90 - 14 - 2894/1.8=1, 7076/4.0=1...(5) HE3 LYS 20 - HB3 LYS 66 OK 12 87 - 14 - 2894/1.8=1, 7076/4.0=1...(5) HE2 LYS 94 - HB3 LYS 66 OK 12 61 - 19 - 3.0/2903=2, ~2891=2...(6) HB2 ASN 60 - HB3 LYS 66 lone 7 94 - 7 - 12318/2771=1, 2893/1.8=1 Peak 2907 from cnoeabs.peaks (8.48, 1.86, 31.73 ppm; 3.80 A): 4 out of 6 assignments used, quality = 0.91: * H ALA 67 + HB3 LYS 66 OK 84 100 - 84 - 4.7=54, 2895/1.8=21...(16) H VAL 32 + HB3 LYS 66 OK 24 100 - 24 - 2895/1.8=6, 7077/4.0=4...(7) H VAL 54 + HB3 LYS 66 OK 17 92 - 19 - 2895/1.8=4, 7077/4.0=3...(7) H LYS 53 + HB3 LYS 66 OK 11 84 - 12 - 2895/1.8=3, 7077/4.0=2...(5) H THR 31 - HB3 LYS 66 poor 8 73 - 11 - 2895/1.8=2, 7077/4.0=1...(4) H ARG 79 - HB3 LYS 66 poor 7 61 - 11 - 2895/1.8=2, 7077/4.0=1 Peak 2908 from cnoeabs.peaks (7.80, 1.49, 24.58 ppm; 3.56 A): 2 out of 12 assignments used, quality = 0.97: * H LYS 66 + HG2 LYS 66 OK 84 100 - 84 - 4.8=42, 2897/3.0=16...(21) H LYS 66 + HG3 LYS 66 OK 84 99 - 84 - 4.8=42, 2897/3.0=16...(21) H LYS 20 - HG2 LYS 66 OK 18 92 - 20 - 2885/3.0=5, 2897/3.0=4...(7) H LYS 20 - HG3 LYS 66 OK 18 90 - 20 - 2885/3.0=5, 2897/3.0=4...(7) H GLU 28 - HG2 LYS 66 OK 17 99 - 17 - 2897/3.0=4, 2885/3.0=3...(6) H GLU 28 - HG3 LYS 66 OK 17 98 - 17 - 2897/3.0=4, 2885/3.0=3...(6) H SER 9 - HG2 LYS 66 OK 13 94 - 14 - 2897/3.0=3, 2885/3.0=3...(5) H SER 9 - HG3 LYS 66 OK 13 92 - 14 - 2897/3.0=3, 2885/3.0=3...(5) H GLU 99 - HG2 LYS 66 poor 10 96 - 10 - 2897/3.0=2, 2885/3.0=2...(5) H GLU 99 - HG3 LYS 66 poor 10 94 - 10 - 2897/3.0=2, 2885/3.0=2...(5) HE ARG 30 - HG2 LYS 66 lone 7 84 - 8 - 2897/3.0=1, 2930/2.9=1 HE ARG 30 - HG3 LYS 66 lone 7 82 - 8 - 2897/3.0=1, 2930/2.9=1 Peak 2909 from cnoeabs.peaks (4.08, 1.49, 24.58 ppm; 3.41 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 66 + HG2 LYS 66 OK 94 100 - 94 - 3.7=77, 2942/2.9=15...(24) HA LYS 66 + HG3 LYS 66 OK 93 99 - 94 - 3.7=77, 2942/2.9=15...(24) HA ARG 46 - HG2 LYS 66 OK 34 99 - 34 - 2898/3.0=6, 2886/3.0=6...(9) HA ARG 46 - HG3 LYS 66 OK 33 98 - 34 - 2898/3.0=6, 2886/3.0=6...(9) HA PRO 86 - HG2 LYS 66 OK 29 87 - 34 - 2942/2.9=6, 2931/2.9=5...(14) HA PRO 86 - HG3 LYS 66 OK 29 85 - 34 - 2942/2.9=6, 2931/2.9=5...(14) Peak 2910 from cnoeabs.peaks (1.77, 1.49, 24.58 ppm; 3.08 A): 4 out of 12 assignments used, quality = 1.00: * HB2 LYS 66 + HG2 LYS 66 OK 100 100 - 100 - 3.0=100 HB2 LYS 66 + HG3 LYS 66 OK 99 99 - 100 - 3.0=100 HB3 GLU 63 + HG2 LYS 66 OK 48 87 - 55 - 2899/3.0=5, ~2771=5...(28) HB3 GLU 63 + HG3 LYS 66 OK 47 85 - 55 - 2899/3.0=5, ~2771=5...(28) HG3 ARG 19 - HG2 LYS 66 OK 22 98 - 23 - 2932/2.9=3, 2899/3.0=3...(9) HG3 ARG 19 - HG3 LYS 66 OK 22 97 - 23 - 2932/2.9=3, 2899/3.0=3...(9) HB ILE 56 - HG2 LYS 66 OK 14 100 - 14 - 2899/3.0=2, 2872/3.7=2...(5) HB ILE 56 - HG3 LYS 66 OK 14 99 - 14 - 2899/3.0=2, 2872/3.7=2...(6) HB3 LYS 82 - HG2 LYS 66 OK 10 100 - 10 - 2899/3.0=1, 2932/2.9=1 HB3 LYS 82 - HG3 LYS 66 OK 10 99 - 10 - 2899/3.0=1, 2932/2.9=1 HB VAL 78 - HG2 LYS 66 lone 7 81 - 8 - HB VAL 78 - HG3 LYS 66 lone 6 79 - 8 - Peak 2911 from cnoeabs.peaks (1.86, 1.49, 24.58 ppm; 3.08 A): 2 out of 14 assignments used, quality = 1.00: * HB3 LYS 66 + HG2 LYS 66 OK 100 100 - 100 - 3.0=100 HB3 LYS 66 + HG3 LYS 66 OK 99 99 - 100 - 3.0=100 HB2 LYS 12 - HG2 LYS 66 OK 39 100 - 39 - 2933/2.9=4, 2944/2.9=4...(18) HB2 LYS 12 - HG3 LYS 66 OK 39 99 - 39 - 2933/2.9=4, 2944/2.9=4...(18) HB3 LYS 12 - HG2 LYS 66 OK 38 99 - 39 - 2933/2.9=4, 2944/2.9=4...(18) HB3 LYS 12 - HG3 LYS 66 OK 38 98 - 39 - 2933/2.9=4, 2944/2.9=4...(18) HB3 LYS 68 - HG2 LYS 66 OK 18 92 - 20 - 2888/3.0=3, 7070/4.8=2...(7) HB3 LYS 68 - HG3 LYS 66 OK 18 90 - 20 - 2888/3.0=3, 7070/4.8=2...(7) HB3 LYS 39 - HG2 LYS 66 lone 7 100 - 7 - 2888/3.0=1 HB3 LYS 39 - HG3 LYS 66 lone 7 99 - 7 - 2888/3.0=1 HB VAL 5 - HG2 LYS 66 lone 6 100 - 6 - HB VAL 5 - HG3 LYS 66 lone 6 99 - 6 - HB3 GLU 104 - HG2 LYS 66 lone 5 94 - 5 - HB3 GLU 104 - HG3 LYS 66 lone 5 92 - 5 - Peak 2912 from cnoeabs.peaks (1.49, 1.49, 24.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 66 + HG2 LYS 66 OK 100 100 - 100 HG3 LYS 66 + HG3 LYS 66 OK 99 99 - 100 Peak 2913 from cnoeabs.peaks (1.49, 1.49, 24.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG2 LYS 66 + HG2 LYS 66 OK 100 100 - 100 HG3 LYS 66 + HG3 LYS 66 OK 99 99 - 100 Reference assignment not found: HG3 LYS 66 - HG2 LYS 66 Peak 2914 from cnoeabs.peaks (1.60, 1.49, 24.58 ppm; 2.53 A): 2 out of 26 assignments used, quality = 0.97: * HD2 LYS 66 + HG2 LYS 66 OK 84 100 - 84 - 2.9=64, 2932/3.0=9...(27) HD2 LYS 66 + HG3 LYS 66 OK 83 99 - 84 - 2.9=64, 2932/3.0=9...(27) HG3 LYS 12 - HG2 LYS 66 OK 27 97 - 28 - 3275=4, 3275/1.8=3...(8) HG3 LYS 12 - HG3 LYS 66 OK 26 96 - 28 - 3275=4, 3275/1.8=3...(8) HG3 LYS 73 - HG2 LYS 66 OK 14 100 - 14 - 3275=2, 3275/1.8=2, 2947/2.9=1 HG3 LYS 73 - HG3 LYS 66 OK 14 99 - 14 - 3275=2, 3275/1.8=2, 2947/2.9=1 HD3 LYS 94 - HG2 LYS 66 OK 11 100 - 11 - 2947/2.9=1 HD3 LYS 94 - HG3 LYS 66 OK 11 99 - 11 - 2947/2.9=1 HG2 ARG 19 - HG2 LYS 66 poor 9 73 - 13 - 1.8/2910=1, 813/3.0=1 HG2 ARG 19 - HG3 LYS 66 poor 9 71 - 12 - 1.8/2910=1, 813/3.0=1 HG2 LYS 24 - HG2 LYS 66 lone 7 77 - 9 - HG2 LYS 24 - HG3 LYS 66 lone 7 75 - 9 - HB3 LEU 29 - HG2 LYS 66 lone 5 99 - 5 - HB3 LEU 29 - HG3 LYS 66 lone 5 98 - 5 - HG LEU 27 - HG2 LYS 66 lone 5 100 - 5 - HG LEU 27 - HG3 LYS 66 lone 5 99 - 5 - HB2 ARG 30 - HG2 LYS 66 lone 3 100 - 3 - HB2 ARG 30 - HG3 LYS 66 lone 3 99 - 3 - HG3 LYS 90 - HG2 LYS 66 lone 2 70 - 3 - HG3 LYS 90 - HG3 LYS 66 lone 2 68 - 3 - HB2 ARG 79 - HG2 LYS 66 lone 2 100 - 2 - HB2 ARG 79 - HG3 LYS 66 lone 2 99 - 2 - HB2 LEU 103 - HG2 LYS 66 lone 2 73 - 2 - HB2 LEU 103 - HG3 LYS 66 lone 2 71 - 2 - HG LEU 103 - HG2 LYS 66 lone 1 61 - 2 - HG LEU 103 - HG3 LYS 66 lone 1 60 - 2 - Peak 2915 from cnoeabs.peaks (1.70, 1.49, 24.58 ppm; 2.64 A): 2 out of 32 assignments used, quality = 0.99: * HD3 LYS 66 + HG2 LYS 66 OK 89 100 - 89 - 2.9=73, 2946/1.8=9...(28) HD3 LYS 66 + HG3 LYS 66 OK 89 99 - 89 - 2.9=73, 2946/1.8=9...(28) HG LEU 70 - HG2 LYS 66 OK 31 100 - 31 - 10959=4, 10959/1.8=4...(17) HG LEU 70 - HG3 LYS 66 OK 31 99 - 31 - 10959=4, 10959/1.8=4...(17) HD2 LYS 12 - HG2 LYS 66 OK 28 100 - 29 - 2937/2.9=2, 3.0/3275=2...(7) HD3 LYS 12 - HG2 LYS 66 OK 28 100 - 29 - 2937/2.9=2, 3.0/3275=2...(7) HD2 LYS 12 - HG3 LYS 66 OK 28 99 - 28 - 2937/2.9=2, 3.0/3275=2...(7) HD3 LYS 12 - HG3 LYS 66 OK 28 99 - 28 - 2937/2.9=2, 3.0/3275=2...(7) HG2 PRO 86 - HG2 LYS 66 OK 20 94 - 21 - 10959=2, 10959/1.8=2...(11) HG2 PRO 86 - HG3 LYS 66 OK 20 92 - 21 - 10959=2, 10959/1.8=2...(11) HB3 LEU 70 - HG2 LYS 66 OK 19 81 - 24 - 3.9/10778=3, 3.0/10959=3...(9) HB3 LEU 70 - HG3 LYS 66 OK 19 79 - 24 - 3.9/10778=3, 3.0/10959=3...(9) HD3 LYS 13 - HG2 LYS 66 OK 12 100 - 11 - HD2 LYS 13 - HG2 LYS 66 OK 12 100 - 11 - HD3 LYS 13 - HG3 LYS 66 OK 12 99 - 11 - HB3 ARG 91 - HG2 LYS 66 OK 12 61 - 19 - ~10781=2, 2.8/4046=2...(5) HD2 LYS 13 - HG3 LYS 66 OK 12 99 - 11 - HD3 LYS 24 - HG2 LYS 66 OK 11 99 - 11 - HD2 LYS 24 - HG2 LYS 66 OK 11 98 - 11 - HD3 LYS 24 - HG3 LYS 66 OK 11 98 - 11 - HB3 ARG 91 - HG3 LYS 66 OK 11 60 - 19 - ~10781=2, 2.8/4046=2...(5) HD2 LYS 24 - HG3 LYS 66 OK 11 97 - 11 - HB2 LEU 2 - HG2 LYS 66 lone 6 100 - 6 - HB2 LEU 2 - HG3 LYS 66 lone 6 99 - 6 - HG12 ILE 15 - HG2 LYS 66 lone 6 96 - 6 - HG12 ILE 15 - HG3 LYS 66 lone 6 94 - 6 - HD3 LYS 90 - HG2 LYS 66 lone 4 99 - 3 - HD3 LYS 90 - HG3 LYS 66 lone 3 98 - 3 - HB3 LYS 53 - HG2 LYS 66 lone 2 73 - 2 - HB3 LYS 53 - HG3 LYS 66 lone 2 71 - 2 - HB3 LYS 40 - HG2 LYS 66 lone 1 65 - 1 - HB3 LYS 40 - HG3 LYS 66 lone 1 64 - 1 - Peak 2916 from cnoeabs.peaks (2.90, 1.49, 24.58 ppm; 3.60 A): 4 out of 18 assignments used, quality = 1.00: * HE2 LYS 66 + HG2 LYS 66 OK 100 100 - 100 - 3.6=98, 2.9/2945=11...(34) HE2 LYS 66 + HG3 LYS 66 OK 99 99 - 100 - 3.6=98, 2.9/2946=11...(34) HE3 LYS 66 + HG2 LYS 66 OK 98 98 - 100 - 3.6=98, 2.9/2945=11...(33) HE3 LYS 66 + HG3 LYS 66 OK 96 97 - 100 - 3.6=98, 2.9/2946=11...(33) HE3 LYS 68 - HG2 LYS 66 OK 27 84 - 33 - 2906/3.0=3, 2894/3.0=3...(17) HE3 LYS 68 - HG3 LYS 66 OK 26 82 - 33 - 2906/3.0=3, 2894/3.0=3...(17) HE2 LYS 68 - HG2 LYS 66 OK 25 77 - 33 - 2906/3.0=3, 2894/3.0=3...(18) HE2 LYS 68 - HG3 LYS 66 OK 24 75 - 33 - 2906/3.0=3, 2894/3.0=3...(18) HE3 LYS 94 - HG2 LYS 66 OK 13 73 - 17 - 2939/2.9=2, 2950/2.9=1...(5) HE3 LYS 94 - HG3 LYS 66 OK 12 71 - 17 - 2939/2.9=2, 2950/2.9=1...(5) HB2 ASN 60 - HG2 LYS 66 lone 8 100 - 8 - 4.0/9415=2 HB2 ASN 60 - HG3 LYS 66 lone 8 99 - 9 - 4.0/9415=2 HE2 LYS 20 - HG2 LYS 66 poor 8 70 - 11 - HE2 LYS 20 - HG3 LYS 66 poor 8 68 - 11 - HE3 LYS 20 - HG2 LYS 66 poor 7 65 - 11 - HE3 LYS 20 - HG3 LYS 66 poor 7 64 - 11 - HE3 LYS 39 - HG2 LYS 66 lone 3 65 - 5 - HE3 LYS 39 - HG3 LYS 66 lone 3 64 - 5 - Peak 2917 from cnoeabs.peaks (2.90, 1.49, 24.58 ppm; 3.61 A): 4 out of 18 assignments used, quality = 1.00: * HE3 LYS 66 + HG2 LYS 66 OK 99 100 - 99 - 3.6=99 HE3 LYS 66 + HG3 LYS 66 OK 99 99 - 99 - 3.6=99 HE2 LYS 66 + HG2 LYS 66 OK 98 98 - 99 - 3.6=99 HE2 LYS 66 + HG3 LYS 66 OK 96 97 - 99 - 3.6=99 HE3 LYS 68 - HG2 LYS 66 OK 32 97 - 33 - 2906/3.0=3, 2894/3.0=3...(17) HE3 LYS 68 - HG3 LYS 66 OK 32 96 - 33 - 2906/3.0=3, 2894/3.0=3...(17) HE2 LYS 68 - HG2 LYS 66 OK 31 94 - 34 - 2906/3.0=3, 2894/3.0=3...(18) HE2 LYS 68 - HG3 LYS 66 OK 31 92 - 34 - 2906/3.0=3, 2894/3.0=3...(18) HE3 LYS 94 - HG2 LYS 66 OK 16 92 - 18 - 2939/2.9=2, 2950/2.9=1...(5) HE3 LYS 94 - HG3 LYS 66 OK 16 90 - 18 - 2939/2.9=2, 2950/2.9=1...(5) HE2 LYS 94 - HG2 LYS 66 OK 12 61 - 19 - 2939/2.9=1, 3.0/2914=1, ~2939=1 HE2 LYS 94 - HG3 LYS 66 OK 11 60 - 19 - 2939/2.9=1, 3.0/2914=1, ~2939=1 HE2 LYS 20 - HG2 LYS 66 OK 11 90 - 12 - HE2 LYS 20 - HG3 LYS 66 OK 10 88 - 12 - HE3 LYS 20 - HG2 LYS 66 OK 10 87 - 12 - HE3 LYS 20 - HG3 LYS 66 OK 10 85 - 12 - HB2 ASN 60 - HG2 LYS 66 lone 8 94 - 8 - 4.0/9415=2 HB2 ASN 60 - HG3 LYS 66 lone 8 92 - 8 - 4.0/9415=2 Peak 2918 from cnoeabs.peaks (8.48, 1.49, 24.58 ppm; 4.49 A): 2 out of 12 assignments used, quality = 0.95: * H ALA 67 + HG2 LYS 66 OK 78 100 - 78 - 2907/3.0=21, 2895/3.0=21...(18) H ALA 67 + HG3 LYS 66 OK 77 99 - 78 - 2907/3.0=21, 2895/3.0=21...(16) H VAL 32 - HG2 LYS 66 OK 30 100 - 30 - 2895/3.0=6, 2907/3.0=6...(8) H VAL 32 - HG3 LYS 66 OK 30 99 - 31 - 2895/3.0=6, 2907/3.0=6...(8) H VAL 54 - HG2 LYS 66 OK 21 92 - 22 - 2895/3.0=4, 2907/3.0=4...(7) H VAL 54 - HG3 LYS 66 OK 20 90 - 22 - 2895/3.0=4, 2907/3.0=4...(7) H LYS 53 - HG2 LYS 66 OK 12 84 - 14 - 2907/3.0=3, 2895/3.0=3...(6) H LYS 53 - HG3 LYS 66 OK 12 82 - 14 - 2907/3.0=3, 2895/3.0=3...(6) H THR 31 - HG2 LYS 66 poor 9 73 - 12 - 2907/3.0=2, 2895/3.0=2...(6) H THR 31 - HG3 LYS 66 poor 8 71 - 12 - 2907/3.0=2, 2895/3.0=2...(6) H ARG 79 - HG2 LYS 66 poor 7 61 - 11 - 2895/3.0=2, 2907/3.0=2...(5) H ARG 79 - HG3 LYS 66 poor 7 60 - 11 - 2895/3.0=2, 2907/3.0=2...(5) Peak 2919 from cnoeabs.peaks (7.80, 1.49, 24.58 ppm; 3.64 A): 2 out of 12 assignments used, quality = 0.98: * H LYS 66 + HG3 LYS 66 OK 86 100 - 86 - 4.8=45, 2897/3.0=16...(21) H LYS 66 + HG2 LYS 66 OK 85 99 - 86 - 4.8=45, 2897/3.0=16...(21) H LYS 20 - HG3 LYS 66 OK 19 92 - 20 - 2885/3.0=5, 2897/3.0=4...(7) H LYS 20 - HG2 LYS 66 OK 18 90 - 20 - 2885/3.0=5, 2897/3.0=4...(7) H GLU 28 - HG3 LYS 66 OK 18 99 - 18 - 2897/3.0=4, 2885/3.0=3...(7) H GLU 28 - HG2 LYS 66 OK 18 98 - 18 - 2897/3.0=4, 2885/3.0=3...(7) H SER 9 - HG3 LYS 66 OK 14 94 - 15 - 2897/3.0=3, 2885/3.0=3...(5) H SER 9 - HG2 LYS 66 OK 14 92 - 15 - 2897/3.0=3, 2885/3.0=3...(5) H GLU 99 - HG3 LYS 66 OK 10 96 - 10 - 2897/3.0=2, 2885/3.0=2...(5) H GLU 99 - HG2 LYS 66 OK 10 94 - 11 - 2897/3.0=2, 2885/3.0=2...(5) HE ARG 30 - HG3 LYS 66 lone 7 84 - 8 - 2897/3.0=1, 2930/2.9=1...(4) HE ARG 30 - HG2 LYS 66 lone 7 82 - 8 - 2897/3.0=1, 2930/2.9=1...(4) Peak 2920 from cnoeabs.peaks (4.08, 1.49, 24.58 ppm; 3.41 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 66 + HG3 LYS 66 OK 94 100 - 94 - 3.7=77, 2942/2.9=15...(24) HA LYS 66 + HG2 LYS 66 OK 93 99 - 94 - 3.7=77, 2942/2.9=15...(24) HA ARG 46 - HG3 LYS 66 OK 34 99 - 34 - 2898/3.0=6, 2886/3.0=6...(9) HA ARG 46 - HG2 LYS 66 OK 33 98 - 34 - 2898/3.0=6, 2886/3.0=6...(9) HA PRO 86 - HG3 LYS 66 OK 29 87 - 34 - 2942/2.9=6, 2931/2.9=5...(14) HA PRO 86 - HG2 LYS 66 OK 29 85 - 34 - 2942/2.9=6, 2931/2.9=5...(14) Peak 2921 from cnoeabs.peaks (1.77, 1.49, 24.58 ppm; 3.13 A): 4 out of 12 assignments used, quality = 1.00: * HB2 LYS 66 + HG3 LYS 66 OK 100 100 - 100 - 3.0=100 HB2 LYS 66 + HG2 LYS 66 OK 99 99 - 100 - 3.0=100 HB3 GLU 63 + HG3 LYS 66 OK 49 87 - 57 - 2899/3.0=6, ~2771=5...(29) HB3 GLU 63 + HG2 LYS 66 OK 48 85 - 57 - 2899/3.0=6, ~2771=5...(29) HG3 ARG 19 - HG3 LYS 66 OK 23 98 - 24 - 2932/2.9=3, 2899/3.0=3...(11) HG3 ARG 19 - HG2 LYS 66 OK 23 97 - 24 - 2932/2.9=3, 2899/3.0=3...(11) HB ILE 56 - HG3 LYS 66 OK 15 100 - 15 - 2899/3.0=2, 2872/3.7=2...(6) HB ILE 56 - HG2 LYS 66 OK 14 99 - 15 - 2899/3.0=2, 2872/3.7=2...(6) HB3 LYS 82 - HG3 LYS 66 OK 11 100 - 11 - 2899/3.0=1, 2932/2.9=1 HB3 LYS 82 - HG2 LYS 66 OK 11 99 - 11 - 2899/3.0=1, 2932/2.9=1 HB VAL 78 - HG3 LYS 66 lone 7 81 - 8 - HB VAL 78 - HG2 LYS 66 lone 7 79 - 8 - Peak 2922 from cnoeabs.peaks (1.86, 1.49, 24.58 ppm; 3.13 A): 2 out of 14 assignments used, quality = 1.00: * HB3 LYS 66 + HG3 LYS 66 OK 100 100 - 100 - 3.0=100 HB3 LYS 66 + HG2 LYS 66 OK 99 99 - 100 - 3.0=100 HB2 LYS 12 - HG3 LYS 66 OK 40 100 - 40 - 2933/2.9=4, 2944/2.9=4...(18) HB2 LYS 12 - HG2 LYS 66 OK 40 99 - 40 - 2933/2.9=4, 2944/2.9=4...(18) HB3 LYS 12 - HG3 LYS 66 OK 40 99 - 40 - 2933/2.9=4, 2944/2.9=4...(18) HB3 LYS 12 - HG2 LYS 66 OK 39 98 - 40 - 2933/2.9=4, 2944/2.9=4...(18) HB3 LYS 68 - HG3 LYS 66 OK 19 92 - 21 - 2888/3.0=3, 7070/4.8=2...(7) HB3 LYS 68 - HG2 LYS 66 OK 19 90 - 21 - 2888/3.0=3, 7070/4.8=2...(7) HB3 LYS 39 - HG3 LYS 66 lone 7 100 - 7 - 2888/3.0=1 HB3 LYS 39 - HG2 LYS 66 lone 7 99 - 7 - 2888/3.0=1 HB VAL 5 - HG3 LYS 66 lone 7 100 - 6 - HB VAL 5 - HG2 LYS 66 lone 7 99 - 6 - HB3 GLU 104 - HG3 LYS 66 lone 5 94 - 5 - HB3 GLU 104 - HG2 LYS 66 lone 5 92 - 5 - Peak 2923 from cnoeabs.peaks (1.49, 1.49, 24.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 66 + HG3 LYS 66 OK 100 100 - 100 HG2 LYS 66 + HG2 LYS 66 OK 99 99 - 100 Reference assignment not found: HG2 LYS 66 - HG3 LYS 66 Peak 2924 from cnoeabs.peaks (1.49, 1.49, 24.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 66 + HG3 LYS 66 OK 100 100 - 100 HG2 LYS 66 + HG2 LYS 66 OK 99 99 - 100 Peak 2925 from cnoeabs.peaks (1.60, 1.49, 24.58 ppm; 2.40 A): 2 out of 26 assignments used, quality = 0.95: * HD2 LYS 66 + HG3 LYS 66 OK 77 100 - 77 - 2.9=54, 2932/3.0=8...(21) HD2 LYS 66 + HG2 LYS 66 OK 77 99 - 77 - 2.9=54, 2932/3.0=8...(21) HG3 LYS 12 - HG3 LYS 66 OK 24 97 - 25 - 3275=4, 3275/1.8=2...(7) HG3 LYS 12 - HG2 LYS 66 OK 24 96 - 25 - 3275=4, 3275/1.8=2...(7) HG3 LYS 73 - HG3 LYS 66 OK 13 100 - 13 - 3275=2, 3275/1.8=1, 2947/2.9=1 HG3 LYS 73 - HG2 LYS 66 OK 13 99 - 13 - 3275=2, 3275/1.8=1, 2947/2.9=1 HD3 LYS 94 - HG3 LYS 66 lone 9 100 - 9 - 2947/2.9=1 HD3 LYS 94 - HG2 LYS 66 lone 9 99 - 9 - 2947/2.9=1 HG2 ARG 19 - HG3 LYS 66 poor 8 73 - 11 - 1.8/2921=1, 813/3.0=1 HG2 ARG 19 - HG2 LYS 66 poor 8 71 - 11 - 1.8/2910=1, 813/3.0=1 HG2 LYS 24 - HG3 LYS 66 lone 6 77 - 8 - HG2 LYS 24 - HG2 LYS 66 lone 6 75 - 8 - HG LEU 27 - HG3 LYS 66 lone 4 100 - 4 - HG LEU 27 - HG2 LYS 66 lone 4 99 - 4 - HB3 LEU 29 - HG3 LYS 66 lone 4 99 - 4 - HB3 LEU 29 - HG2 LYS 66 lone 4 98 - 4 - HB2 ARG 30 - HG3 LYS 66 lone 3 100 - 3 - HB2 ARG 30 - HG2 LYS 66 lone 3 99 - 3 - HB2 ARG 79 - HG3 LYS 66 lone 2 100 - 2 - HG3 LYS 90 - HG3 LYS 66 lone 2 70 - 2 - HB2 ARG 79 - HG2 LYS 66 lone 2 99 - 2 - HG3 LYS 90 - HG2 LYS 66 lone 2 68 - 2 - HB2 LEU 103 - HG3 LYS 66 lone 1 73 - 2 - HB2 LEU 103 - HG2 LYS 66 lone 1 71 - 2 - HG LEU 103 - HG3 LYS 66 lone 1 61 - 2 - HG LEU 103 - HG2 LYS 66 lone 1 60 - 2 - Peak 2926 from cnoeabs.peaks (1.70, 1.49, 24.58 ppm; 2.57 A): 2 out of 32 assignments used, quality = 0.98: * HD3 LYS 66 + HG3 LYS 66 OK 86 100 - 86 - 2.9=67, 2946/1.8=9...(27) HD3 LYS 66 + HG2 LYS 66 OK 85 99 - 86 - 2.9=67, 2946/1.8=9...(27) HG LEU 70 - HG3 LYS 66 OK 29 100 - 29 - 10959=4, 10959/1.8=3...(16) HG LEU 70 - HG2 LYS 66 OK 29 99 - 29 - 10959=4, 10959/1.8=3...(16) HD3 LYS 12 - HG3 LYS 66 OK 27 100 - 27 - 2937/2.9=2, 3.0/3275=2...(7) HD2 LYS 12 - HG3 LYS 66 OK 27 100 - 27 - 2937/2.9=2, 3.0/3275=2...(7) HD2 LYS 12 - HG2 LYS 66 OK 26 99 - 27 - 2937/2.9=2, 3.0/3275=2...(7) HD3 LYS 12 - HG2 LYS 66 OK 26 99 - 27 - 2937/2.9=2, 3.0/3275=2...(7) HG2 PRO 86 - HG3 LYS 66 OK 19 94 - 20 - 10959=2, 10959/1.8=1...(10) HG2 PRO 86 - HG2 LYS 66 OK 18 92 - 20 - 10959=2, 10959/1.8=2...(8) HB3 LEU 70 - HG3 LYS 66 OK 18 81 - 23 - 3.9/10778=3, 3.0/10959=3...(8) HB3 LEU 70 - HG2 LYS 66 OK 18 79 - 23 - 3.9/10778=3, 3.0/10959=3...(8) HD3 LYS 13 - HG3 LYS 66 OK 11 100 - 11 - HD2 LYS 13 - HG3 LYS 66 OK 11 100 - 11 - HD3 LYS 13 - HG2 LYS 66 OK 11 99 - 11 - HD2 LYS 13 - HG2 LYS 66 OK 11 99 - 11 - HD3 LYS 24 - HG3 LYS 66 OK 11 99 - 11 - HB3 ARG 91 - HG3 LYS 66 OK 11 61 - 17 - ~10781=2, 2.8/4046=1...(5) HD2 LYS 24 - HG3 LYS 66 OK 11 98 - 11 - HD3 LYS 24 - HG2 LYS 66 OK 11 98 - 11 - HD2 LYS 24 - HG2 LYS 66 OK 11 97 - 11 - HB3 ARG 91 - HG2 LYS 66 OK 10 60 - 17 - ~10781=2, 2.8/4046=2...(5) HB2 LEU 2 - HG3 LYS 66 lone 6 100 - 6 - HB2 LEU 2 - HG2 LYS 66 lone 6 99 - 6 - HG12 ILE 15 - HG2 LYS 66 lone 5 94 - 6 - HG12 ILE 15 - HG3 LYS 66 lone 5 96 - 5 - HD3 LYS 90 - HG3 LYS 66 lone 3 99 - 3 - HD3 LYS 90 - HG2 LYS 66 lone 3 98 - 3 - HB3 LYS 53 - HG3 LYS 66 lone 2 73 - 2 - HB3 LYS 53 - HG2 LYS 66 lone 1 71 - 2 - HB3 LYS 40 - HG3 LYS 66 lone 1 65 - 1 - HB3 LYS 40 - HG2 LYS 66 lone 1 64 - 1 - Peak 2927 from cnoeabs.peaks (2.90, 1.49, 24.58 ppm; 3.70 A): 4 out of 18 assignments used, quality = 1.00: * HE2 LYS 66 + HG3 LYS 66 OK 100 100 - 100 - 3.6=100 HE2 LYS 66 + HG2 LYS 66 OK 99 99 - 100 - 3.6=100 HE3 LYS 66 + HG3 LYS 66 OK 98 98 - 100 - 3.6=100 HE3 LYS 66 + HG2 LYS 66 OK 97 97 - 100 - 3.6=100 HE3 LYS 68 - HG3 LYS 66 OK 28 84 - 34 - 2906/3.0=3, 2894/3.0=3...(18) HE3 LYS 68 - HG2 LYS 66 OK 28 82 - 34 - 2906/3.0=3, 2894/3.0=3...(18) HE2 LYS 68 - HG3 LYS 66 OK 26 77 - 34 - 2906/3.0=3, 2894/3.0=3...(18) HE2 LYS 68 - HG2 LYS 66 OK 26 75 - 34 - 2906/3.0=3, 2894/3.0=3...(18) HE3 LYS 94 - HG3 LYS 66 OK 13 73 - 18 - 2939/2.9=2, 2950/2.9=1...(5) HE3 LYS 94 - HG2 LYS 66 OK 13 71 - 18 - 2939/2.9=2, 2950/2.9=1...(5) HB2 ASN 60 - HG3 LYS 66 lone 9 100 - 9 - 4.0/9415=3 HB2 ASN 60 - HG2 LYS 66 lone 9 99 - 9 - 4.0/9415=3 HE2 LYS 20 - HG3 LYS 66 poor 8 70 - 12 - HE2 LYS 20 - HG2 LYS 66 poor 8 68 - 12 - HE3 LYS 20 - HG3 LYS 66 poor 8 65 - 12 - HE3 LYS 20 - HG2 LYS 66 poor 8 64 - 12 - HE3 LYS 39 - HG3 LYS 66 lone 3 65 - 5 - HE3 LYS 39 - HG2 LYS 66 lone 3 64 - 5 - Peak 2928 from cnoeabs.peaks (2.90, 1.49, 24.58 ppm; 3.70 A): 4 out of 18 assignments used, quality = 1.00: * HE3 LYS 66 + HG3 LYS 66 OK 100 100 - 100 - 3.6=100 HE3 LYS 66 + HG2 LYS 66 OK 99 99 - 100 - 3.6=100 HE2 LYS 66 + HG3 LYS 66 OK 98 98 - 100 - 3.6=100 HE2 LYS 66 + HG2 LYS 66 OK 97 97 - 100 - 3.6=100 HE3 LYS 68 - HG3 LYS 66 OK 33 97 - 35 - 2906/3.0=3, 2894/3.0=3...(18) HE3 LYS 68 - HG2 LYS 66 OK 33 96 - 35 - 2906/3.0=3, 2894/3.0=3...(18) HE2 LYS 68 - HG3 LYS 66 OK 33 94 - 35 - 2906/3.0=3, 2894/3.0=3...(18) HE2 LYS 68 - HG2 LYS 66 OK 32 92 - 35 - 2906/3.0=3, 2894/3.0=3...(18) HE3 LYS 94 - HG3 LYS 66 OK 17 92 - 18 - 2939/2.9=2, 2950/2.9=2...(5) HE3 LYS 94 - HG2 LYS 66 OK 17 90 - 19 - 2939/2.9=2, 2950/2.9=2...(5) HE2 LYS 94 - HG3 LYS 66 OK 12 61 - 20 - 2939/2.9=1, 3.0/2914=1...(5) HE2 LYS 94 - HG2 LYS 66 OK 12 60 - 20 - 2939/2.9=1, 3.0/2914=1...(5) HE2 LYS 20 - HG3 LYS 66 OK 11 90 - 12 - 2906/3.0=1 HE2 LYS 20 - HG2 LYS 66 OK 11 88 - 12 - 2906/3.0=1 HE3 LYS 20 - HG3 LYS 66 OK 11 87 - 12 - HE3 LYS 20 - HG2 LYS 66 OK 10 85 - 12 - HB2 ASN 60 - HG3 LYS 66 lone 8 94 - 9 - 4.0/9415=3 HB2 ASN 60 - HG2 LYS 66 lone 8 92 - 9 - 4.0/9415=3 Peak 2929 from cnoeabs.peaks (8.48, 1.49, 24.58 ppm; 4.55 A): 2 out of 12 assignments used, quality = 0.95: * H ALA 67 + HG3 LYS 66 OK 79 100 - 79 - 2907/3.0=21, 2895/3.0=21...(16) H ALA 67 + HG2 LYS 66 OK 78 99 - 79 - 2907/3.0=21, 2895/3.0=21...(16) H VAL 32 - HG3 LYS 66 OK 31 100 - 31 - 2895/3.0=6, 2907/3.0=6...(8) H VAL 32 - HG2 LYS 66 OK 31 99 - 31 - 2895/3.0=6, 2907/3.0=6...(8) H VAL 54 - HG3 LYS 66 OK 21 92 - 23 - 2895/3.0=4, 2907/3.0=4...(7) H VAL 54 - HG2 LYS 66 OK 21 90 - 23 - 2895/3.0=4, 2907/3.0=4...(7) H LYS 53 - HG3 LYS 66 OK 13 84 - 15 - 2907/3.0=3, 2895/3.0=3...(6) H LYS 53 - HG2 LYS 66 OK 12 82 - 15 - 2907/3.0=3, 2895/3.0=3...(6) H THR 31 - HG3 LYS 66 poor 9 73 - 12 - 2907/3.0=2, 2895/3.0=2...(6) H THR 31 - HG2 LYS 66 poor 9 71 - 12 - 2907/3.0=2, 2895/3.0=2...(6) H ARG 79 - HG3 LYS 66 poor 7 61 - 11 - 2895/3.0=2, 2907/3.0=2...(5) H ARG 79 - HG2 LYS 66 poor 7 60 - 11 - 2895/3.0=2, 2907/3.0=2...(5) Peak 2930 from cnoeabs.peaks (7.80, 1.60, 27.82 ppm; 4.86 A): 1 out of 6 assignments used, quality = 0.95: * H LYS 66 + HD2 LYS 66 OK 95 100 - 95 - 6.1=50, 4.0/2932=23...(23) H GLU 28 - HD2 LYS 66 OK 36 99 - 36 - 2897/3.6=5, 2941/1.8=5...(16) H LYS 20 - HD2 LYS 66 OK 35 92 - 38 - 2885/3.6=7, 2941/1.8=6...(12) H SER 9 - HD2 LYS 66 OK 24 94 - 25 - 2897/3.6=4, 2941/1.8=4...(9) H GLU 99 - HD2 LYS 66 OK 16 96 - 17 - 2941/1.8=3, 2897/3.6=3...(8) HE ARG 30 - HD2 LYS 66 OK 15 84 - 17 - 2941/1.8=2, 2897/3.6=2...(8) Peak 2931 from cnoeabs.peaks (4.08, 1.60, 27.82 ppm; 4.03 A): 2 out of 3 assignments used, quality = 0.97: * HA LYS 66 + HD2 LYS 66 OK 94 100 - 94 - 5.1=50, 2942/1.8=25...(31) HA PRO 86 + HD2 LYS 66 OK 43 87 - 50 - 2942/1.8=10, 2.3/12288=7...(16) HA ARG 46 - HD2 LYS 66 OK 40 99 - 41 - 2942/1.8=9, 2898/3.6=7...(9) Peak 2932 from cnoeabs.peaks (1.77, 1.60, 27.82 ppm; 3.00 A): 3 out of 6 assignments used, quality = 0.92: * HB2 LYS 66 + HD2 LYS 66 OK 87 100 - 87 - 3.6=57, 2943/1.8=14...(32) HB3 GLU 63 + HD2 LYS 66 OK 28 87 - 32 - 2943/1.8=5, 2899/3.6=4...(18) HG3 ARG 19 + HD2 LYS 66 OK 19 98 - 19 - 2943/1.8=3, 2899/3.6=2...(8) HB ILE 56 - HD2 LYS 66 lone 8 100 - 8 - 2943/1.8=2, 2899/3.6=2 HB3 LYS 82 - HD2 LYS 66 lone 6 100 - 6 - 2943/1.8=1, 2899/3.6=1 HB VAL 78 - HD2 LYS 66 lone 3 81 - 4 - Peak 2933 from cnoeabs.peaks (1.86, 1.60, 27.82 ppm; 3.73 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LYS 66 + HD2 LYS 66 OK 100 100 - 100 - 3.6=100 HB2 LYS 12 + HD2 LYS 66 OK 60 100 - 60 - 2944/1.8=7, ~2944=5...(32) HB3 LYS 12 + HD2 LYS 66 OK 59 99 - 60 - 2944/1.8=7, ~2944=5...(32) HB3 LYS 68 - HD2 LYS 66 OK 29 92 - 31 - 2944/1.8=4, 2888/3.6=3...(15) HB3 LYS 39 - HD2 LYS 66 OK 12 100 - 11 - 2944/1.8=2, 2888/3.6=1 HB VAL 5 - HD2 LYS 66 lone 7 100 - 7 - 2888/3.6=1 HB3 GLU 104 - HD2 LYS 66 lone 6 94 - 6 - Peak 2934 from cnoeabs.peaks (1.49, 1.60, 27.82 ppm; 2.91 A): 2 out of 11 assignments used, quality = 1.00: * HG2 LYS 66 + HD2 LYS 66 OK 99 100 - 99 - 2.9=97, 3.0/2932=13...(30) HG3 LYS 66 + HD2 LYS 66 OK 99 100 - 99 - 2.9=97, 3.0/2932=13...(30) HB3 LEU 64 - HD2 LYS 66 OK 25 100 - 26 - 2945/1.8=3, 1.8/12288=2...(10) HG LEU 64 - HD2 LYS 66 OK 22 90 - 25 - 9485/2.9=3, ~9479=2...(8) HB2 ARG 91 - HD2 LYS 66 OK 16 99 - 16 - ~10781=3, 2945/1.8=2...(4) HG2 LYS 73 - HD2 LYS 66 OK 14 100 - 14 - 3265=2, 2946/1.8=1, ~2947=1 HG LEU 57 - HD2 LYS 66 OK 11 92 - 12 - 2.1/12319=3, 2946/1.8=1, ~2637=1 HG3 LYS 13 - HD2 LYS 66 OK 10 98 - 10 - 3265=1 HG3 LYS 24 - HD2 LYS 66 lone 7 70 - 10 - HG2 LYS 47 - HD2 LYS 66 lone 4 100 - 4 - HG3 LYS 33 - HD2 LYS 66 lone 1 84 - 1 - Peak 2935 from cnoeabs.peaks (1.49, 1.60, 27.82 ppm; 2.91 A): 2 out of 11 assignments used, quality = 1.00: * HG3 LYS 66 + HD2 LYS 66 OK 99 100 - 99 - 2.9=97, 3.0/2932=13...(30) HG2 LYS 66 + HD2 LYS 66 OK 99 100 - 99 - 2.9=97, 3.0/2932=13...(30) HB3 LEU 64 - HD2 LYS 66 OK 25 100 - 26 - 2946/1.8=3, 1.8/12288=2...(10) HG LEU 64 - HD2 LYS 66 OK 20 84 - 24 - 9485/2.9=3, ~9479=2...(8) HB2 ARG 91 - HD2 LYS 66 OK 15 97 - 16 - ~10781=3, 2945/1.8=2...(4) HG2 LYS 73 - HD2 LYS 66 OK 14 100 - 14 - 3265=2, 2946/1.8=1, ~2947=1 HG LEU 57 - HD2 LYS 66 OK 12 96 - 12 - 2.1/12319=3, 2946/1.8=1, ~2637=1 HG3 LYS 13 - HD2 LYS 66 OK 10 99 - 10 - 3265=1 HG3 LYS 24 - HD2 LYS 66 lone 8 77 - 10 - HG2 LYS 47 - HD2 LYS 66 lone 4 100 - 4 - HG3 LYS 33 - HD2 LYS 66 lone 1 90 - 1 - Peak 2936 from cnoeabs.peaks (1.60, 1.60, 27.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 66 + HD2 LYS 66 OK 100 100 - 100 Peak 2937 from cnoeabs.peaks (1.70, 1.60, 27.82 ppm; 2.50 A): 1 out of 16 assignments used, quality = 1.00: * HD3 LYS 66 + HD2 LYS 66 OK 100 100 - 100 - 1.8=100 HG LEU 70 - HD2 LYS 66 OK 23 100 - 23 - 2.1/12319=3, 10959/2.9=2...(12) HD3 LYS 12 - HD2 LYS 66 OK 22 100 - 23 - 3.6/2933=2, 3.6/2933=2...(7) HD2 LYS 12 - HD2 LYS 66 OK 22 100 - 23 - 3.6/2933=2, 3.6/2933=2...(7) HG2 PRO 86 - HD2 LYS 66 OK 18 94 - 19 - 3.8/2931=2, 2.3/12288=2...(6) HB3 LEU 70 - HD2 LYS 66 OK 14 81 - 17 - 3.1/12319=3, 3.1/12319=2 HD3 LYS 13 - HD2 LYS 66 lone 8 100 - 7 - HD2 LYS 13 - HD2 LYS 66 lone 8 100 - 7 - HD3 LYS 24 - HD2 LYS 66 lone 8 99 - 8 - HD2 LYS 24 - HD2 LYS 66 lone 8 98 - 8 - HB3 ARG 91 - HD2 LYS 66 poor 7 61 - 11 - ~10781=2, 1.8/2934=1 HB2 LEU 2 - HD2 LYS 66 lone 5 100 - 5 - HG12 ILE 15 - HD2 LYS 66 lone 5 96 - 5 - HD3 LYS 90 - HD2 LYS 66 lone 4 99 - 4 - HB3 LYS 53 - HD2 LYS 66 lone 1 73 - 2 - HB3 LYS 40 - HD2 LYS 66 lone 1 65 - 1 - Peak 2938 from cnoeabs.peaks (2.90, 1.60, 27.82 ppm; 3.53 A): 2 out of 9 assignments used, quality = 1.00: * HE2 LYS 66 + HD2 LYS 66 OK 100 100 - 100 - 2.9=100 HE3 LYS 66 + HD2 LYS 66 OK 98 98 - 100 - 2.9=100 HE3 LYS 68 - HD2 LYS 66 OK 21 84 - 25 - 2950/1.8=3, 2906/3.6=2...(12) HE2 LYS 68 - HD2 LYS 66 OK 19 77 - 25 - 2950/1.8=3, 2906/3.6=2...(12) HE3 LYS 94 - HD2 LYS 66 OK 16 73 - 22 - 3.0/4237=2, 3.9/4215=2...(8) HB2 ASN 60 - HD2 LYS 66 lone 7 100 - 7 - ~2704=2, ~2690=1 HE2 LYS 20 - HD2 LYS 66 lone 7 70 - 10 - 2950/1.8=1 HE3 LYS 20 - HD2 LYS 66 lone 6 65 - 9 - HE3 LYS 39 - HD2 LYS 66 lone 3 65 - 5 - Peak 2939 from cnoeabs.peaks (2.90, 1.60, 27.82 ppm; 3.64 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 66 + HD2 LYS 66 OK 100 100 - 100 - 2.9=100 HE2 LYS 66 + HD2 LYS 66 OK 98 98 - 100 - 2.9=100 HE3 LYS 68 - HD2 LYS 66 OK 26 97 - 27 - 2950/1.8=3, 2906/3.6=3...(12) HE2 LYS 68 - HD2 LYS 66 OK 26 94 - 27 - 2950/1.8=3, 2906/3.6=2...(12) HE3 LYS 94 - HD2 LYS 66 OK 22 92 - 24 - 3.0/4237=2, 2950/1.8=2...(11) HE2 LYS 94 - HD2 LYS 66 OK 14 61 - 23 - 3.0/4237=2, 3.9/4215=2...(10) HE2 LYS 20 - HD2 LYS 66 poor 10 90 - 11 - 2950/1.8=1 HE3 LYS 20 - HD2 LYS 66 poor 9 87 - 11 - 2950/1.8=1 HB2 ASN 60 - HD2 LYS 66 lone 7 94 - 7 - ~2704=2, ~2690=1 Peak 2940 from cnoeabs.peaks (8.48, 1.60, 27.82 ppm; 6.13 A): 3 out of 6 assignments used, quality = 0.95: * H ALA 67 + HD2 LYS 66 OK 88 100 - 88 - 4.7/2932=27, 2907/3.6=26...(14) H VAL 32 + HD2 LYS 66 OK 42 100 - 42 - 2951/1.8=9, 2895/3.6=8...(9) H VAL 54 + HD2 LYS 66 OK 31 92 - 33 - 2951/1.8=7, 2895/3.6=6...(8) H LYS 53 - HD2 LYS 66 OK 18 84 - 21 - 2951/1.8=4, 2907/3.6=3...(7) H THR 31 - HD2 LYS 66 OK 16 73 - 22 - 2951/1.8=3, 2907/3.6=3...(11) H ARG 79 - HD2 LYS 66 OK 12 61 - 19 - 2895/3.6=2, 2951/1.8=2...(9) Peak 2941 from cnoeabs.peaks (7.80, 1.70, 27.82 ppm; 5.17 A): 1 out of 6 assignments used, quality = 0.97: * H LYS 66 + HD3 LYS 66 OK 97 100 - 97 - 6.1=60, 3.0/2942=27...(20) H LYS 20 - HD3 LYS 66 OK 35 92 - 38 - 2885/3.6=7, 2930/1.8=7...(10) H GLU 28 - HD3 LYS 66 OK 31 99 - 31 - 2930/1.8=7, 2897/3.6=6...(8) H SER 9 - HD3 LYS 66 OK 26 94 - 28 - 2930/1.8=5, 2897/3.6=5...(10) H GLU 99 - HD3 LYS 66 OK 17 96 - 18 - 2930/1.8=3, 2897/3.6=3...(8) HE ARG 30 - HD3 LYS 66 OK 14 84 - 16 - 2930/1.8=3, 2897/3.6=2...(9) Peak 2942 from cnoeabs.peaks (4.08, 1.70, 27.82 ppm; 3.49 A): 3 out of 3 assignments used, quality = 0.93: * HA LYS 66 + HD3 LYS 66 OK 85 100 - 85 - 5.1=32, 2931/1.8=15...(29) HA PRO 86 + HD3 LYS 66 OK 33 87 - 38 - 2931/1.8=7, 2886/3.6=4...(15) HA ARG 46 + HD3 LYS 66 OK 31 99 - 31 - 2931/1.8=7, 2898/3.6=6...(9) Peak 2943 from cnoeabs.peaks (1.77, 1.70, 27.82 ppm; 3.49 A): 1 out of 6 assignments used, quality = 0.98: * HB2 LYS 66 + HD3 LYS 66 OK 98 100 - 98 - 3.6=90, 2932/1.8=24...(35) HB3 GLU 63 - HD3 LYS 66 OK 37 87 - 43 - 2932/1.8=8, 2899/3.6=5...(18) HG3 ARG 19 - HD3 LYS 66 OK 23 98 - 23 - 2932/1.8=5, 2899/3.6=3...(10) HB ILE 56 - HD3 LYS 66 OK 11 100 - 11 - 2932/1.8=2, 2899/3.6=2...(5) HB3 LYS 82 - HD3 LYS 66 lone 9 100 - 8 - 2932/1.8=2, 2899/3.6=1 HB VAL 78 - HD3 LYS 66 lone 5 81 - 6 - Peak 2944 from cnoeabs.peaks (1.86, 1.70, 27.82 ppm; 3.86 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LYS 66 + HD3 LYS 66 OK 100 100 - 100 - 3.6=100 HB2 LYS 12 + HD3 LYS 66 OK 56 100 - 56 - 2933/1.8=8, ~2933=6...(28) HB3 LYS 12 + HD3 LYS 66 OK 55 99 - 56 - 2933/1.8=8, ~2933=6...(27) HB3 LYS 68 - HD3 LYS 66 OK 30 92 - 33 - 2933/1.8=4, 2888/3.6=3...(14) HB3 LYS 39 - HD3 LYS 66 OK 12 100 - 11 - 2933/1.8=2, 2888/3.6=1 HB VAL 5 - HD3 LYS 66 lone 6 100 - 6 - 2888/3.6=1, 2933/1.8=1 HB3 GLU 104 - HD3 LYS 66 lone 6 94 - 6 - Peak 2945 from cnoeabs.peaks (1.49, 1.70, 27.82 ppm; 2.91 A): 2 out of 11 assignments used, quality = 1.00: * HG2 LYS 66 + HD3 LYS 66 OK 99 100 - 99 - 2.9=97, 2934/1.8=11...(27) HG3 LYS 66 + HD3 LYS 66 OK 99 100 - 99 - 2.9=97, 2935/1.8=11...(27) HB3 LEU 64 - HD3 LYS 66 OK 25 100 - 25 - 2934/1.8=3, 2901/3.6=2...(10) HG LEU 64 - HD3 LYS 66 OK 21 90 - 24 - 9485/2.9=3, ~9479=2...(8) HB2 ARG 91 - HD3 LYS 66 OK 16 99 - 16 - 2.8/10781=3, 2934/1.8=2 HG2 LYS 73 - HD3 LYS 66 OK 12 100 - 11 - 1.8/2947=2, 2935/1.8=2 HG LEU 57 - HD3 LYS 66 OK 11 92 - 12 - ~12319=2, 2935/1.8=1...(4) HG3 LYS 13 - HD3 LYS 66 lone 8 98 - 8 - 2935/1.8=1 HG3 LYS 24 - HD3 LYS 66 lone 6 70 - 8 - 1.8/2947=1 HG2 LYS 47 - HD3 LYS 66 lone 4 100 - 4 - HG3 LYS 33 - HD3 LYS 66 lone 1 84 - 1 - Peak 2946 from cnoeabs.peaks (1.49, 1.70, 27.82 ppm; 2.91 A): 2 out of 11 assignments used, quality = 1.00: * HG3 LYS 66 + HD3 LYS 66 OK 99 100 - 99 - 2.9=97, 2935/1.8=11...(27) HG2 LYS 66 + HD3 LYS 66 OK 99 100 - 99 - 2.9=97, 2935/1.8=11...(27) HB3 LEU 64 - HD3 LYS 66 OK 25 100 - 25 - 2935/1.8=3, 2902/3.6=2...(10) HG LEU 64 - HD3 LYS 66 OK 20 84 - 24 - 9485/2.9=3, ~9479=2...(8) HB2 ARG 91 - HD3 LYS 66 OK 15 97 - 16 - 2.8/10781=3, 2934/1.8=2 HG LEU 57 - HD3 LYS 66 OK 12 96 - 12 - ~12319=2, 2935/1.8=1...(4) HG2 LYS 73 - HD3 LYS 66 OK 12 100 - 11 - 1.8/2947=2, 2935/1.8=2 HG3 LYS 13 - HD3 LYS 66 lone 9 99 - 8 - 2935/1.8=1 HG3 LYS 24 - HD3 LYS 66 lone 7 77 - 9 - 1.8/2947=1 HG2 LYS 47 - HD3 LYS 66 lone 4 100 - 4 - HG3 LYS 33 - HD3 LYS 66 lone 1 90 - 1 - Peak 2947 from cnoeabs.peaks (1.60, 1.70, 27.82 ppm; 2.46 A): 1 out of 13 assignments used, quality = 1.00: * HD2 LYS 66 + HD3 LYS 66 OK 100 100 - 100 - 1.8=100 HG3 LYS 12 - HD3 LYS 66 OK 23 97 - 24 - 3.0/2944=2, 3.0/2944=2...(11) HD3 LYS 94 - HD3 LYS 66 OK 11 100 - 11 - HG3 LYS 73 - HD3 LYS 66 lone 10 100 - 10 - HG2 ARG 19 - HD3 LYS 66 poor 8 73 - 11 - 1.8/2943=2, ~2932=2 HG2 LYS 24 - HD3 LYS 66 lone 5 77 - 7 - HG LEU 27 - HD3 LYS 66 lone 4 100 - 4 - HB3 LEU 29 - HD3 LYS 66 lone 4 99 - 4 - HB2 ARG 30 - HD3 LYS 66 lone 4 100 - 3 - HG3 LYS 90 - HD3 LYS 66 lone 3 70 - 5 - HB2 ARG 79 - HD3 LYS 66 lone 2 100 - 2 - HB2 LEU 103 - HD3 LYS 66 lone 1 73 - 2 - HG LEU 103 - HD3 LYS 66 lone 1 61 - 2 - Peak 2948 from cnoeabs.peaks (1.70, 1.70, 27.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 66 + HD3 LYS 66 OK 100 100 - 100 Peak 2949 from cnoeabs.peaks (2.90, 1.70, 27.82 ppm; 3.51 A): 2 out of 9 assignments used, quality = 1.00: * HE2 LYS 66 + HD3 LYS 66 OK 100 100 - 100 - 2.9=100 HE3 LYS 66 + HD3 LYS 66 OK 98 98 - 100 - 2.9=100 HE3 LYS 68 - HD3 LYS 66 OK 21 84 - 25 - 2939/1.8=3, 2906/3.6=2...(12) HE2 LYS 68 - HD3 LYS 66 OK 19 77 - 25 - 2939/1.8=3, 2906/3.6=2...(12) HE3 LYS 94 - HD3 LYS 66 OK 12 73 - 16 - 3.0/2947=2, 2939/1.8=2...(5) HB2 ASN 60 - HD3 LYS 66 lone 7 100 - 7 - ~2704=1, ~2690=1 HE2 LYS 20 - HD3 LYS 66 lone 6 70 - 9 - 2939/1.8=1 HE3 LYS 20 - HD3 LYS 66 lone 6 65 - 9 - 2939/1.8=1 HE3 LYS 39 - HD3 LYS 66 lone 3 65 - 4 - Peak 2950 from cnoeabs.peaks (2.90, 1.70, 27.82 ppm; 3.49 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 66 + HD3 LYS 66 OK 100 100 - 100 - 2.9=100 HE2 LYS 66 + HD3 LYS 66 OK 98 98 - 100 - 2.9=100 HE3 LYS 68 - HD3 LYS 66 OK 25 97 - 26 - 2939/1.8=3, 2906/3.6=2...(12) HE2 LYS 68 - HD3 LYS 66 OK 24 94 - 26 - 2939/1.8=3, 2906/3.6=2...(12) HE3 LYS 94 - HD3 LYS 66 OK 15 92 - 16 - 2939/1.8=2, 3.0/2947=2...(6) HE2 LYS 94 - HD3 LYS 66 poor 10 61 - 16 - 3.0/2947=2, ~2939=2...(5) HE2 LYS 20 - HD3 LYS 66 lone 8 90 - 9 - 2939/1.8=1 HE3 LYS 20 - HD3 LYS 66 lone 8 87 - 9 - 2939/1.8=1 HB2 ASN 60 - HD3 LYS 66 lone 6 94 - 6 - ~2704=1, ~2690=1 Peak 2951 from cnoeabs.peaks (8.48, 1.70, 27.82 ppm; 5.55 A): 5 out of 6 assignments used, quality = 0.95: * H ALA 67 + HD3 LYS 66 OK 84 100 - 85 - 3.6/2942=26, 2907/3.6=24...(12) H VAL 32 + HD3 LYS 66 OK 37 100 - 38 - 2895/3.6=7, 2907/3.6=7...(8) H VAL 54 + HD3 LYS 66 OK 28 92 - 30 - 2940/1.8=5, 2895/3.6=5...(9) H LYS 53 + HD3 LYS 66 OK 17 84 - 20 - 2907/3.6=3, 2940/1.8=3...(7) H THR 31 + HD3 LYS 66 OK 13 73 - 17 - 2940/1.8=3, 2907/3.6=2...(7) H ARG 79 - HD3 LYS 66 poor 9 61 - 15 - 2895/3.6=2, 2907/3.6=2...(6) Peak 2952 from cnoeabs.peaks (7.80, 2.90, 41.80 ppm; 4.47 A): 2 out of 12 assignments used, quality = 0.96: * H LYS 66 + HE2 LYS 66 OK 86 100 - 86 - 7.2=24, 2897/4.7=15...(19) H LYS 66 + HE3 LYS 66 OK 75 87 - 86 - 7.2=24, 2897/4.7=15...(19) H LYS 20 - HE2 LYS 66 OK 27 92 - 29 - 2885/4.7=5, 2930/2.9=5...(10) H LYS 20 - HE3 LYS 66 OK 22 75 - 29 - 2885/4.7=5, 2930/2.9=5...(10) H GLU 28 - HE2 LYS 66 OK 21 99 - 21 - 2930/2.9=5, 2941/2.9=4...(7) H GLU 28 - HE3 LYS 66 OK 17 85 - 21 - 2930/2.9=5, 2941/2.9=4...(7) H SER 9 - HE2 LYS 66 OK 16 94 - 17 - 2941/2.9=3, 2930/2.9=3...(7) H SER 9 - HE3 LYS 66 OK 13 77 - 17 - 2941/2.9=3, 2930/2.9=3...(7) H GLU 99 - HE2 LYS 66 OK 12 96 - 12 - 2930/2.9=2, 2941/2.9=2...(7) H GLU 99 - HE3 LYS 66 poor 10 79 - 12 - 2930/2.9=2, 2941/2.9=2...(7) HE ARG 30 - HE2 LYS 66 poor 9 84 - 10 - 2930/2.9=2, 2941/2.9=2...(4) HE ARG 30 - HE3 LYS 66 poor 7 67 - 10 - 2930/2.9=2, 2941/2.9=2...(4) Peak 2953 from cnoeabs.peaks (4.08, 2.90, 41.80 ppm; 3.89 A): 2 out of 6 assignments used, quality = 0.97: * HA LYS 66 + HE2 LYS 66 OK 89 100 - 89 - 6.1=26, 2942/2.9=19...(33) HA LYS 66 + HE3 LYS 66 OK 77 87 - 89 - 6.1=26, 2942/2.9=19...(31) HA ARG 46 - HE2 LYS 66 OK 33 99 - 33 - 2942/2.9=7, 2931/2.9=6...(9) HA PRO 86 - HE2 LYS 66 OK 32 87 - 37 - 2942/2.9=7, 2931/2.9=7...(14) HA ARG 46 - HE3 LYS 66 OK 29 85 - 33 - 2942/2.9=7, 2931/2.9=6...(9) HA PRO 86 - HE3 LYS 66 OK 25 70 - 36 - 2942/2.9=7, 2931/2.9=7...(13) Peak 2954 from cnoeabs.peaks (1.77, 2.90, 41.80 ppm; 4.01 A): 2 out of 12 assignments used, quality = 0.99: * HB2 LYS 66 + HE2 LYS 66 OK 96 100 - 96 - 4.7=61, 2932/2.9=22...(40) HB2 LYS 66 + HE3 LYS 66 OK 84 87 - 96 - 4.7=61, 2932/2.9=22...(38) HB3 GLU 63 - HE2 LYS 66 OK 41 87 - 48 - 2932/2.9=7, 2943/2.9=7...(14) HB3 GLU 63 - HE3 LYS 66 OK 33 70 - 48 - 2932/2.9=7, 2943/2.9=7...(14) HG3 ARG 19 - HE2 LYS 66 OK 24 98 - 24 - 2932/2.9=5, 2943/2.9=4...(10) HG3 ARG 19 - HE3 LYS 66 OK 20 83 - 24 - 2932/2.9=5, 2943/2.9=4...(10) HB ILE 56 - HE2 LYS 66 OK 13 100 - 13 - 2943/2.9=2, 2932/2.9=2...(6) HB3 LYS 82 - HE2 LYS 66 OK 12 100 - 11 - 2932/2.9=2, 2943/2.9=2 HB ILE 56 - HE3 LYS 66 OK 11 86 - 12 - 2943/2.9=2, 2932/2.9=2...(6) HB3 LYS 82 - HE3 LYS 66 lone 9 86 - 10 - 2932/2.9=2, 2943/2.9=2 HB VAL 78 - HE2 LYS 66 lone 6 81 - 7 - HB VAL 78 - HE3 LYS 66 lone 4 64 - 6 - Peak 2955 from cnoeabs.peaks (1.86, 2.90, 41.80 ppm; 3.43 A): 2 out of 14 assignments used, quality = 0.97: * HB3 LYS 66 + HE2 LYS 66 OK 87 100 - 87 - 4.7=38, ~2932=10...(39) HB3 LYS 66 + HE3 LYS 66 OK 75 87 - 87 - 4.7=38, ~2932=10...(39) HB2 LYS 12 - HE2 LYS 66 OK 39 100 - 40 - 2933/2.9=5, 2944/2.9=5...(17) HB3 LYS 12 - HE2 LYS 66 OK 39 99 - 40 - 2933/2.9=5, 2944/2.9=5...(15) HB2 LYS 12 - HE3 LYS 66 OK 34 86 - 40 - 2933/2.9=5, 2944/2.9=5...(17) HB3 LYS 12 - HE3 LYS 66 OK 33 84 - 40 - 2933/2.9=5, 2944/2.9=5...(18) HB3 LYS 68 - HE2 LYS 66 OK 26 92 - 29 - 2944/2.9=3, 2933/2.9=3...(13) HB3 LYS 68 - HE3 LYS 66 OK 21 75 - 28 - 2944/2.9=3, 2933/2.9=3...(13) HB3 LYS 39 - HE2 LYS 66 lone 8 100 - 8 - 2933/2.9=1, 2944/2.9=1 HB3 LYS 39 - HE3 LYS 66 lone 7 87 - 8 - 2933/2.9=1, 2944/2.9=1 HB VAL 5 - HE2 LYS 66 lone 4 100 - 4 - HB3 GLU 104 - HE2 LYS 66 lone 4 94 - 4 - HB VAL 5 - HE3 LYS 66 lone 4 87 - 4 - HB3 GLU 104 - HE3 LYS 66 lone 3 77 - 4 - Peak 2956 from cnoeabs.peaks (1.49, 2.90, 41.80 ppm; 3.36 A): 4 out of 22 assignments used, quality = 1.00: * HG2 LYS 66 + HE2 LYS 66 OK 95 100 - 95 - 3.6=80, 2945/2.9=10...(32) HG3 LYS 66 + HE2 LYS 66 OK 95 100 - 95 - 3.6=80, 2946/2.9=10...(32) HG2 LYS 66 + HE3 LYS 66 OK 83 87 - 95 - 3.6=80, 2945/2.9=10...(31) HG3 LYS 66 + HE3 LYS 66 OK 82 86 - 95 - 3.6=80, 2946/2.9=10...(31) HB3 LEU 64 - HE2 LYS 66 OK 30 100 - 30 - 3.1/9479=4, 3.0/9485=3...(11) HG LEU 64 - HE2 LYS 66 OK 26 90 - 29 - 2.1/9479=5, 2.1/9484=4...(10) HB3 LEU 64 - HE3 LYS 66 OK 25 87 - 29 - ~9485=4, 3.1/9484=4...(11) HG LEU 64 - HE3 LYS 66 OK 21 72 - 30 - 9485/1.8=5, ~9479=5...(10) HB2 ARG 91 - HE2 LYS 66 OK 15 99 - 15 - ~10781=4, 2945/2.9=2...(4) HB2 ARG 91 - HE3 LYS 66 OK 12 84 - 14 - ~10781=4, 2945/2.9=2...(4) HG2 LYS 73 - HE2 LYS 66 OK 10 100 - 10 - 2935/2.9=1, 1.8/2958=1 HG2 LYS 73 - HE3 LYS 66 lone 9 87 - 10 - 2935/2.9=1, 2946/2.9=1 HG LEU 57 - HE2 LYS 66 lone 8 92 - 8 - ~12319=2, 2946/2.9=1, 2935/2.9=1 HG3 LYS 13 - HE2 LYS 66 lone 7 98 - 7 - 2935/2.9=1 HG LEU 57 - HE3 LYS 66 lone 6 75 - 8 - ~12319=2, 2946/2.9=1, 2935/2.9=1 HG3 LYS 13 - HE3 LYS 66 lone 6 83 - 7 - 2935/2.9=1 HG3 LYS 24 - HE2 LYS 66 lone 6 70 - 8 - HG3 LYS 24 - HE3 LYS 66 lone 4 54 - 8 - HG2 LYS 47 - HE2 LYS 66 lone 3 100 - 3 - HG2 LYS 47 - HE3 LYS 66 lone 3 87 - 3 - HG3 LYS 33 - HE2 LYS 66 lone 1 84 - 1 - HG3 LYS 33 - HE3 LYS 66 lone 1 67 - 1 - Peak 2957 from cnoeabs.peaks (1.49, 2.90, 41.80 ppm; 3.36 A): 4 out of 22 assignments used, quality = 1.00: * HG3 LYS 66 + HE2 LYS 66 OK 95 100 - 95 - 3.6=80, 2946/2.9=10...(32) HG2 LYS 66 + HE2 LYS 66 OK 95 100 - 95 - 3.6=80, 2946/2.9=10...(32) HG3 LYS 66 + HE3 LYS 66 OK 83 87 - 95 - 3.6=80, 2946/2.9=10...(31) HG2 LYS 66 + HE3 LYS 66 OK 82 86 - 95 - 3.6=80, 2946/2.9=10...(31) HB3 LEU 64 - HE2 LYS 66 OK 29 100 - 30 - 3.1/9479=4, 3.0/9485=3...(11) HB3 LEU 64 - HE3 LYS 66 OK 25 86 - 29 - ~9485=4, 3.1/9484=4...(11) HG LEU 64 - HE2 LYS 66 OK 24 84 - 29 - 2.1/9479=5, 2.1/9484=4...(10) HG LEU 64 - HE3 LYS 66 OK 19 67 - 29 - ~9479=5, 9485/1.8=5...(10) HB2 ARG 91 - HE2 LYS 66 OK 14 97 - 15 - ~10781=4, 2945/2.9=2...(4) HB2 ARG 91 - HE3 LYS 66 OK 11 81 - 14 - ~10781=4, 2945/2.9=2...(4) HG2 LYS 73 - HE2 LYS 66 OK 10 100 - 10 - 2935/2.9=1, 1.8/2958=1 HG2 LYS 73 - HE3 LYS 66 lone 9 87 - 10 - 2935/2.9=1, 2946/2.9=1 HG LEU 57 - HE2 LYS 66 lone 8 96 - 8 - ~12319=2, 2946/2.9=1, 2935/2.9=1 HG3 LYS 13 - HE2 LYS 66 lone 7 99 - 7 - 2935/2.9=1 HG3 LYS 24 - HE2 LYS 66 lone 6 77 - 8 - HG LEU 57 - HE3 LYS 66 lone 6 79 - 8 - ~12319=2, 2946/2.9=1, 2935/2.9=1 HG3 LYS 13 - HE3 LYS 66 lone 6 85 - 7 - 2935/2.9=1 HG3 LYS 24 - HE3 LYS 66 lone 5 61 - 8 - HG2 LYS 47 - HE2 LYS 66 lone 3 100 - 3 - HG2 LYS 47 - HE3 LYS 66 lone 3 86 - 3 - HG3 LYS 33 - HE2 LYS 66 lone 1 90 - 1 - HG3 LYS 33 - HE3 LYS 66 lone 1 72 - 1 - Peak 2958 from cnoeabs.peaks (1.60, 2.90, 41.80 ppm; 3.03 A): 2 out of 26 assignments used, quality = 1.00: * HD2 LYS 66 + HE2 LYS 66 OK 100 100 - 100 - 2.9=100 HD2 LYS 66 + HE3 LYS 66 OK 87 87 - 100 - 2.9=100 HG3 LYS 12 - HE2 LYS 66 OK 25 97 - 26 - 2947/2.9=4, 3.0/2955=2...(11) HG3 LYS 12 - HE3 LYS 66 OK 20 81 - 25 - 2947/2.9=4, 3.0/2955=2...(11) HD3 LYS 94 - HE2 LYS 66 OK 18 100 - 18 - 2947/2.9=2, 4250/1.8=2 HD3 LYS 94 - HE3 LYS 66 OK 14 86 - 16 - 2947/2.9=2, 4250/1.8=1, 4250=1 HG3 LYS 73 - HE2 LYS 66 OK 11 100 - 11 - 2947/2.9=2, 3275/3.6=1 HG2 ARG 19 - HE2 LYS 66 poor 10 73 - 13 - ~2932=2, ~2943=1...(4) HG3 LYS 73 - HE3 LYS 66 poor 10 86 - 11 - 2947/2.9=2, 3275/3.6=1 HG2 ARG 19 - HE3 LYS 66 poor 7 57 - 13 - ~2932=2, ~2943=1...(4) HG2 LYS 24 - HE2 LYS 66 lone 6 77 - 7 - HG LEU 27 - HE2 LYS 66 lone 5 100 - 5 - HB3 LEU 29 - HE2 LYS 66 lone 5 99 - 5 - HG LEU 27 - HE3 LYS 66 lone 4 86 - 5 - HG2 LYS 24 - HE3 LYS 66 lone 4 61 - 7 - HB2 ARG 30 - HE2 LYS 66 lone 4 100 - 4 - HB3 LEU 29 - HE3 LYS 66 lone 4 84 - 5 - HB2 ARG 30 - HE3 LYS 66 lone 3 86 - 4 - HG3 LYS 90 - HE2 LYS 66 lone 3 70 - 4 - HB2 ARG 79 - HE2 LYS 66 lone 2 100 - 2 - HG3 LYS 90 - HE3 LYS 66 lone 2 54 - 4 - HB2 ARG 79 - HE3 LYS 66 lone 2 87 - 2 - HB2 LEU 103 - HE2 LYS 66 lone 2 73 - 2 - HG LEU 103 - HE2 LYS 66 lone 1 61 - 2 - HB2 LEU 103 - HE3 LYS 66 lone 1 57 - 2 - HG LEU 103 - HE3 LYS 66 lone 1 47 - 2 - Peak 2959 from cnoeabs.peaks (1.70, 2.90, 41.80 ppm; 2.94 A): 2 out of 32 assignments used, quality = 1.00: * HD3 LYS 66 + HE2 LYS 66 OK 100 100 - 100 - 2.9=100 HD3 LYS 66 + HE3 LYS 66 OK 87 87 - 100 - 2.9=100 HG LEU 70 - HE2 LYS 66 OK 25 100 - 26 - 10959/3.6=3, 10959/3.6=3...(11) HG LEU 70 - HE3 LYS 66 OK 22 86 - 26 - ~10821=3, 10959/3.6=3...(11) HG2 PRO 86 - HE2 LYS 66 OK 18 94 - 20 - ~12288=2, 2937/2.9=2...(9) HD2 LYS 12 - HE2 LYS 66 OK 17 100 - 17 - 2937/2.9=2, 3.6/2955=2...(6) HD3 LYS 12 - HE2 LYS 66 OK 17 100 - 17 - 2937/2.9=2, 3.6/2955=2...(6) HB3 LEU 70 - HE2 LYS 66 OK 15 81 - 18 - 3.1/10821=2, 3.0/12323=2...(8) HG2 PRO 86 - HE3 LYS 66 OK 14 77 - 19 - ~12288=2, 2937/2.9=2...(10) HD2 LYS 12 - HE3 LYS 66 OK 14 87 - 17 - 2937/2.9=2, 3.6/2955=1...(6) HD3 LYS 12 - HE3 LYS 66 OK 14 87 - 17 - 2937/2.9=2, 3.6/2955=1...(6) HB3 LEU 70 - HE3 LYS 66 OK 12 64 - 19 - ~10821=2, 3.0/12323=2...(8) HB3 ARG 91 - HE2 LYS 66 poor 7 61 - 12 - ~10781=3 HD3 LYS 13 - HE2 LYS 66 lone 7 100 - 6 - HD2 LYS 13 - HE2 LYS 66 lone 6 100 - 6 - HD3 LYS 24 - HE2 LYS 66 lone 6 99 - 6 - HD2 LYS 24 - HE2 LYS 66 lone 6 98 - 6 - HD3 LYS 13 - HE3 LYS 66 lone 6 87 - 6 - HD2 LYS 13 - HE3 LYS 66 lone 6 87 - 6 - HB3 ARG 91 - HE3 LYS 66 poor 5 47 - 11 - ~10781=3 HD3 LYS 24 - HE3 LYS 66 lone 5 84 - 6 - HD2 LYS 24 - HE3 LYS 66 lone 5 83 - 6 - HB2 LEU 2 - HE2 LYS 66 lone 5 100 - 5 - HB2 LEU 2 - HE3 LYS 66 lone 4 87 - 4 - HG12 ILE 15 - HE2 LYS 66 lone 4 96 - 4 - HD3 LYS 90 - HE2 LYS 66 lone 3 99 - 3 - HG12 ILE 15 - HE3 LYS 66 lone 3 79 - 4 - HD3 LYS 90 - HE3 LYS 66 lone 3 84 - 3 - HB3 LYS 53 - HE2 LYS 66 lone 1 73 - 1 - HB3 LYS 53 - HE3 LYS 66 lone 1 57 - 1 - HB3 LYS 40 - HE2 LYS 66 lone 1 65 - 1 - HB3 LYS 40 - HE3 LYS 66 lone 0 50 - 1 - Peak 2960 from cnoeabs.peaks (2.90, 2.90, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 66 + HE2 LYS 66 OK 100 100 - 100 HE3 LYS 66 + HE3 LYS 66 OK 83 83 - 100 Peak 2961 from cnoeabs.peaks (2.90, 2.90, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 66 + HE2 LYS 66 OK 98 98 - 100 HE3 LYS 66 + HE3 LYS 66 OK 87 87 - 100 Reference assignment not found: HE3 LYS 66 - HE2 LYS 66 Peak 2963 from cnoeabs.peaks (7.80, 2.90, 41.80 ppm; 4.47 A): 2 out of 24 assignments used, quality = 0.96: * H LYS 66 + HE3 LYS 66 OK 86 100 - 86 - 7.2=24, 2897/4.7=15...(19) H LYS 66 + HE2 LYS 66 OK 74 87 - 86 - 7.2=24, 2897/4.7=15...(19) H LYS 66 - HE3 LYS 68 OK 37 81 - 46 - 7078/7.2=7, 7076=6...(18) H LYS 66 - HE2 LYS 68 OK 30 65 - 46 - 7078/7.2=7, 7076=6...(18) H LYS 20 - HE3 LYS 66 OK 28 92 - 31 - 2885/4.7=5, 2930/2.9=5...(11) H LYS 20 - HE2 LYS 66 OK 22 75 - 30 - 2885/4.7=5, 2930/2.9=5...(10) H GLU 28 - HE3 LYS 66 OK 21 99 - 22 - 2930/2.9=5, 2941/2.9=4...(7) H LYS 20 - HE3 LYS 68 OK 21 69 - 30 - 6314/1.8=3, 6313=3...(15) H GLU 28 - HE2 LYS 66 OK 18 85 - 21 - 2930/2.9=5, 2941/2.9=4...(7) H LYS 20 - HE2 LYS 68 OK 16 55 - 30 - 6313/1.8=3, 6313=3...(15) H SER 9 - HE3 LYS 66 OK 16 94 - 17 - 2941/2.9=3, 2930/2.9=3...(7) H SER 9 - HE2 LYS 66 OK 13 77 - 17 - 2941/2.9=3, 2930/2.9=3...(7) H GLU 99 - HE3 LYS 66 OK 12 96 - 12 - 2930/2.9=2, 2941/2.9=2...(7) H GLU 99 - HE2 LYS 66 poor 10 79 - 12 - 2930/2.9=2, 2941/2.9=2...(7) HE ARG 30 - HE3 LYS 66 poor 9 84 - 10 - 2930/2.9=2, 2941/2.9=2...(4) H GLU 28 - HE3 LYS 68 poor 8 79 - 11 - 6450/3.6=2, 7101/7.2=2 HE ARG 30 - HE2 LYS 66 poor 7 67 - 10 - 2930/2.9=2, 2941/2.9=2...(4) H GLU 28 - HE2 LYS 68 poor 7 64 - 10 - 6450/3.6=2, 7101/7.2=2 H GLU 99 - HE3 LYS 68 lone 3 73 - 4 - 7601/6.3=1 H SER 9 - HE3 LYS 68 lone 3 71 - 4 - H GLU 99 - HE2 LYS 68 lone 2 58 - 4 - 7601/6.3=1 H SER 9 - HE2 LYS 68 lone 2 57 - 4 - HE ARG 30 - HE3 LYS 68 lone 2 61 - 2 - HE ARG 30 - HE2 LYS 68 lone 1 48 - 2 - Peak 2964 from cnoeabs.peaks (4.08, 2.90, 41.80 ppm; 3.89 A): 2 out of 12 assignments used, quality = 0.97: * HA LYS 66 + HE3 LYS 66 OK 88 100 - 88 - 6.1=26, 2942/2.9=19...(31) HA LYS 66 + HE2 LYS 66 OK 77 87 - 89 - 6.1=26, 2942/2.9=19...(33) HA LYS 66 - HE3 LYS 68 OK 36 81 - 44 - 2879=5, 7102/7.2=5...(22) HA ARG 46 - HE3 LYS 66 OK 34 99 - 34 - 2942/2.9=7, 2931/2.9=6...(9) HA PRO 86 - HE3 LYS 66 OK 32 87 - 37 - 2942/2.9=7, 2931/2.9=7...(13) HA LYS 66 - HE2 LYS 68 OK 29 65 - 45 - 2879=5, 7102/7.2=5...(22) HA ARG 46 - HE2 LYS 66 OK 28 85 - 33 - 2942/2.9=7, 2931/2.9=6...(9) HA PRO 86 - HE2 LYS 66 OK 26 70 - 37 - 2942/2.9=7, 2931/2.9=7...(14) HA ARG 46 - HE3 LYS 68 lone 7 79 - 8 - 7102/7.2=2 HA ARG 46 - HE2 LYS 68 lone 5 64 - 8 - 7102/7.2=2 HA PRO 86 - HE3 LYS 68 lone 3 64 - 5 - 7102/7.2=1 HA PRO 86 - HE2 LYS 68 lone 2 50 - 5 - 7102/7.2=1 Peak 2965 from cnoeabs.peaks (1.77, 2.90, 41.80 ppm; 4.01 A): 2 out of 24 assignments used, quality = 0.99: * HB2 LYS 66 + HE3 LYS 66 OK 96 100 - 96 - 4.7=61, 2932/2.9=22...(38) HB2 LYS 66 + HE2 LYS 66 OK 84 87 - 96 - 4.7=61, 2932/2.9=22...(40) HB3 GLU 63 - HE3 LYS 66 OK 42 87 - 48 - 2932/2.9=7, 2943/2.9=7...(14) HB2 LYS 66 - HE3 LYS 68 OK 35 81 - 44 - 2894=5, 1.8/2906=5...(22) HB3 GLU 63 - HE2 LYS 66 OK 34 70 - 48 - 2932/2.9=7, 2943/2.9=7...(14) HB2 LYS 66 - HE2 LYS 68 OK 29 65 - 44 - 2894=5, 1.8/2906=4...(22) HG3 ARG 19 - HE3 LYS 66 OK 23 98 - 24 - 2932/2.9=5, 2943/2.9=4...(9) HG3 ARG 19 - HE2 LYS 66 OK 20 83 - 24 - 2932/2.9=5, 2943/2.9=4...(9) HB ILE 56 - HE3 LYS 66 OK 12 100 - 12 - 2943/2.9=2, 2932/2.9=2...(6) HB ILE 56 - HE2 LYS 66 OK 11 86 - 12 - 2943/2.9=2, 2932/2.9=2...(6) HB3 LYS 82 - HE3 LYS 66 OK 10 100 - 10 - 2932/2.9=2, 2943/2.9=2 HB3 LYS 82 - HE2 LYS 66 poor 9 86 - 10 - 2932/2.9=2, 2943/2.9=2 HB VAL 78 - HE3 LYS 68 poor 8 58 - 14 - ~10289=3, ~10264=2...(7) HG3 ARG 19 - HE3 LYS 68 lone 7 76 - 9 - 818/6.3=2, 4.9/6313=1 HB VAL 78 - HE2 LYS 68 poor 6 46 - 13 - ~10289=3, ~10264=2...(7) HB VAL 78 - HE3 LYS 66 lone 6 81 - 7 - HG3 ARG 19 - HE2 LYS 68 lone 5 61 - 8 - 818/6.3=2, 4.9/6313=1 HB3 GLU 63 - HE3 LYS 68 lone 5 64 - 7 - HB VAL 78 - HE2 LYS 66 lone 4 64 - 7 - HB ILE 56 - HE3 LYS 68 lone 4 80 - 5 - ~10672=1 HB3 LYS 82 - HE3 LYS 68 lone 4 80 - 5 - 3661/3.6=1 HB3 GLU 63 - HE2 LYS 68 lone 3 50 - 7 - HB ILE 56 - HE2 LYS 68 lone 3 64 - 5 - ~10672=1 HB3 LYS 82 - HE2 LYS 68 lone 3 65 - 5 - 3661/3.6=1 Peak 2966 from cnoeabs.peaks (1.86, 2.90, 41.80 ppm; 3.43 A): 3 out of 28 assignments used, quality = 0.98: * HB3 LYS 66 + HE3 LYS 66 OK 86 100 - 87 - 4.7=38, ~2932=10...(39) HB3 LYS 66 + HE2 LYS 66 OK 75 87 - 86 - 4.7=38, ~2932=10...(39) HB3 LYS 68 + HE3 LYS 68 OK 52 69 - 76 - 5.0=32, 1.8/3007=6...(46) HB3 LYS 68 - HE2 LYS 68 OK 41 55 - 75 - 5.0=32, 1.8/3007=6...(44) HB2 LYS 12 - HE3 LYS 66 OK 40 100 - 41 - 2933/2.9=5, 2944/2.9=5...(17) HB3 LYS 12 - HE3 LYS 66 OK 40 99 - 40 - 2933/2.9=5, 2944/2.9=5...(18) HB2 LYS 12 - HE2 LYS 66 OK 34 86 - 40 - 2933/2.9=5, 2944/2.9=5...(18) HB3 LYS 12 - HE2 LYS 66 OK 33 84 - 39 - 2933/2.9=5, 2944/2.9=5...(16) HB3 LYS 39 - HE3 LYS 68 OK 31 80 - 39 - 3024/3.6=4, 1727/3.0=3...(17) HB3 LYS 66 - HE3 LYS 68 OK 28 81 - 34 - 2906=4, 2906/1.8=3...(17) HB3 LYS 68 - HE3 LYS 66 OK 27 92 - 30 - 2944/2.9=3, 2933/2.9=3...(15) HB3 LYS 39 - HE2 LYS 68 OK 25 65 - 38 - 3024/3.6=4, 1727/3.0=3...(17) HB3 LYS 66 - HE2 LYS 68 OK 23 65 - 35 - 2906=4, 2906/1.8=3...(17) HB3 LYS 68 - HE2 LYS 66 OK 23 75 - 30 - 2944/2.9=3, 2933/2.9=3...(16) HB2 LYS 12 - HE3 LYS 68 OK 13 80 - 16 - 3024/3.6=2, 3035/3.6=1 HB3 LYS 12 - HE3 LYS 68 OK 12 78 - 16 - 3024/3.6=2, 3035/3.6=1 HB2 LYS 12 - HE2 LYS 68 OK 10 64 - 16 - 3024/3.6=2, 3035/3.6=1 HB3 LYS 12 - HE2 LYS 68 poor 10 63 - 16 - 3024/3.6=2, 3035/3.6=1 HB3 LYS 39 - HE3 LYS 66 lone 9 100 - 9 - 2933/2.9=1, 2944/2.9=1 HB3 LYS 39 - HE2 LYS 66 lone 6 87 - 7 - 2933/2.9=1, 2944/2.9=1 HB VAL 5 - HE3 LYS 68 lone 6 81 - 7 - 10368/6.3=2, 3024/3.6=1 HB VAL 5 - HE2 LYS 68 lone 5 65 - 7 - 10368/6.3=2, 3024/3.6=1 HB VAL 5 - HE3 LYS 66 lone 4 100 - 4 - HB3 GLU 104 - HE3 LYS 66 lone 4 94 - 4 - HB VAL 5 - HE2 LYS 66 lone 4 87 - 4 - HB3 GLU 104 - HE2 LYS 66 lone 3 77 - 4 - HB3 GLU 104 - HE3 LYS 68 lone 2 71 - 3 - HB3 GLU 104 - HE2 LYS 68 lone 2 57 - 3 - Peak 2967 from cnoeabs.peaks (1.49, 2.90, 41.80 ppm; 3.36 A): 4 out of 44 assignments used, quality = 1.00: * HG2 LYS 66 + HE3 LYS 66 OK 95 100 - 95 - 3.6=80, 2945/2.9=10...(31) HG3 LYS 66 + HE3 LYS 66 OK 95 100 - 95 - 3.6=80, 2946/2.9=10...(31) HG2 LYS 66 + HE2 LYS 66 OK 83 87 - 95 - 3.6=80, 2945/2.9=10...(32) HG3 LYS 66 + HE2 LYS 66 OK 82 86 - 95 - 3.6=80, 2946/2.9=10...(32) HB3 LEU 64 - HE3 LYS 66 OK 29 100 - 29 - 3.1/9484=4, ~9485=4...(11) HG LEU 64 - HE3 LYS 66 OK 27 90 - 30 - 9485/1.8=5, ~9479=5...(10) HG2 LYS 66 - HE3 LYS 68 OK 25 81 - 32 - 3.0/2906=3, 3.0/2894=2...(19) HG3 LYS 66 - HE3 LYS 68 OK 25 80 - 32 - 3.0/2906=3, 3.0/2894=2...(18) HB3 LEU 64 - HE2 LYS 66 OK 24 87 - 27 - 3.1/9484=3, ~9484=3...(11) HG2 LYS 66 - HE2 LYS 68 OK 21 65 - 32 - 3.0/2906=2, 3.0/2894=2...(19) HG3 LYS 66 - HE2 LYS 68 OK 21 65 - 32 - 3.0/2906=2, 3.0/2894=2...(19) HG LEU 64 - HE2 LYS 66 OK 19 72 - 26 - 2.1/9484=4, ~9484=3...(11) HB2 ARG 91 - HE3 LYS 66 OK 14 99 - 14 - ~10781=4, 2945/2.9=2...(4) HB2 ARG 91 - HE2 LYS 66 OK 12 84 - 15 - ~10781=4, 2945/2.9=2...(4) HB3 LEU 64 - HE3 LYS 68 OK 12 80 - 15 - 3.1/9484=3, 10758/3.6=2...(5) HG2 LYS 73 - HE3 LYS 66 lone 10 100 - 10 - 2935/2.9=1, 2946/2.9=1 HG LEU 64 - HE3 LYS 68 poor 9 66 - 14 - 2.1/9484=4, ~9484=3...(6) HB3 LEU 64 - HE2 LYS 68 poor 9 65 - 14 - 3.1/9484=3, ~9484=2...(5) HG2 LYS 73 - HE2 LYS 66 lone 9 87 - 10 - 2935/2.9=1, 2946/2.9=1 HG LEU 57 - HE3 LYS 66 lone 7 92 - 8 - ~12319=2, 2946/2.9=1, 2935/2.9=1 HG LEU 64 - HE2 LYS 68 poor 7 53 - 14 - 2.1/9484=4, ~9484=3...(6) HG3 LYS 13 - HE3 LYS 66 lone 7 98 - 7 - 2935/2.9=1 HG LEU 57 - HE2 LYS 66 lone 6 75 - 8 - ~12319=2, 2946/2.9=1, 2935/2.9=1 HG3 LYS 13 - HE2 LYS 66 lone 6 83 - 7 - 2935/2.9=1 HG3 LYS 24 - HE3 LYS 66 lone 6 70 - 8 - HG3 LYS 24 - HE2 LYS 66 lone 4 54 - 8 - HG2 LYS 47 - HE3 LYS 66 lone 3 100 - 3 - HG LEU 57 - HE3 LYS 68 lone 3 69 - 4 - ~10263=2 HG2 LYS 47 - HE2 LYS 66 lone 3 87 - 3 - HG LEU 57 - HE2 LYS 68 lone 2 55 - 4 - ~10263=2 HG2 LYS 47 - HE3 LYS 68 lone 2 81 - 2 - HG2 LYS 47 - HE2 LYS 68 lone 1 65 - 2 - HG2 LYS 73 - HE3 LYS 68 lone 1 80 - 2 - HB2 ARG 91 - HE3 LYS 68 lone 1 78 - 2 - HG2 LYS 73 - HE2 LYS 68 lone 1 65 - 2 - HB2 ARG 91 - HE2 LYS 68 lone 1 63 - 2 - HG3 LYS 33 - HE3 LYS 66 lone 1 84 - 1 - HG3 LYS 13 - HE3 LYS 68 lone 1 76 - 1 - HG3 LYS 33 - HE2 LYS 66 lone 1 67 - 1 - HG3 LYS 13 - HE2 LYS 68 lone 1 61 - 1 - HG3 LYS 24 - HE3 LYS 68 lone 0 49 - 1 - HG3 LYS 33 - HE3 LYS 68 lone 0 61 - 1 - HG3 LYS 24 - HE2 LYS 68 lone 0 38 - 1 - HG3 LYS 33 - HE2 LYS 68 lone 0 48 - 0 - Peak 2968 from cnoeabs.peaks (1.49, 2.90, 41.80 ppm; 3.36 A): 4 out of 44 assignments used, quality = 1.00: * HG3 LYS 66 + HE3 LYS 66 OK 95 100 - 95 - 3.6=80, 2946/2.9=10...(31) HG2 LYS 66 + HE3 LYS 66 OK 95 100 - 95 - 3.6=80, 2946/2.9=10...(31) HG3 LYS 66 + HE2 LYS 66 OK 83 87 - 95 - 3.6=80, 2946/2.9=10...(32) HG2 LYS 66 + HE2 LYS 66 OK 82 86 - 95 - 3.6=80, 2946/2.9=10...(32) HB3 LEU 64 - HE3 LYS 66 OK 29 100 - 29 - 3.1/9484=4, ~9485=4...(11) HG3 LYS 66 - HE3 LYS 68 OK 25 81 - 32 - 3.0/2906=3, 3.0/2894=2...(18) HG2 LYS 66 - HE3 LYS 68 OK 25 80 - 32 - 3.0/2906=3, 3.0/2894=2...(19) HG LEU 64 - HE3 LYS 66 OK 25 84 - 30 - ~9479=5, 2.1/9484=5...(10) HB3 LEU 64 - HE2 LYS 66 OK 23 86 - 27 - 3.1/9484=3, ~9484=3...(11) HG3 LYS 66 - HE2 LYS 68 OK 21 65 - 32 - 3.0/2906=2, 3.0/2894=2...(19) HG2 LYS 66 - HE2 LYS 68 OK 21 65 - 32 - 3.0/2906=2, 3.0/2894=2...(19) HG LEU 64 - HE2 LYS 66 OK 17 67 - 26 - 2.1/9484=4, ~9484=3...(11) HB2 ARG 91 - HE3 LYS 66 OK 14 97 - 14 - ~10781=4, 2945/2.9=2...(4) HB2 ARG 91 - HE2 LYS 66 OK 12 81 - 15 - ~10781=4, 2945/2.9=2...(4) HB3 LEU 64 - HE3 LYS 68 OK 12 80 - 15 - 3.1/9484=3, 10758/3.6=2...(5) HG2 LYS 73 - HE3 LYS 66 lone 10 100 - 10 - 2935/2.9=1, 2946/2.9=1 HB3 LEU 64 - HE2 LYS 68 poor 9 64 - 14 - 3.1/9484=3, ~9484=2...(5) HG2 LYS 73 - HE2 LYS 66 lone 9 87 - 10 - 2935/2.9=1, 2946/2.9=1 HG LEU 64 - HE3 LYS 68 poor 9 61 - 14 - 2.1/9484=4, ~9484=3...(6) HG LEU 57 - HE3 LYS 66 lone 8 96 - 8 - ~12319=2, 2946/2.9=1, 2935/2.9=1 HG3 LYS 13 - HE3 LYS 66 lone 7 99 - 7 - 2935/2.9=1 HG LEU 64 - HE2 LYS 68 poor 7 48 - 14 - 2.1/9484=4, ~9484=3...(6) HG LEU 57 - HE2 LYS 66 lone 6 79 - 8 - ~12319=2, 2946/2.9=1, 2935/2.9=1 HG3 LYS 24 - HE3 LYS 66 lone 6 77 - 8 - HG3 LYS 13 - HE2 LYS 66 lone 6 85 - 7 - 2935/2.9=1 HG3 LYS 24 - HE2 LYS 66 lone 5 61 - 8 - HG LEU 57 - HE3 LYS 68 lone 3 73 - 4 - ~10263=2 HG2 LYS 47 - HE3 LYS 66 lone 3 100 - 3 - HG2 LYS 47 - HE2 LYS 66 lone 3 86 - 3 - HG LEU 57 - HE2 LYS 68 lone 3 58 - 4 - ~10263=2 HG2 LYS 47 - HE3 LYS 68 lone 2 80 - 2 - HG2 LYS 47 - HE2 LYS 68 lone 1 65 - 2 - HG2 LYS 73 - HE3 LYS 68 lone 1 80 - 2 - HB2 ARG 91 - HE3 LYS 68 lone 1 75 - 2 - HG2 LYS 73 - HE2 LYS 68 lone 1 65 - 2 - HB2 ARG 91 - HE2 LYS 68 lone 1 60 - 2 - HG3 LYS 33 - HE3 LYS 66 lone 1 90 - 1 - HG3 LYS 13 - HE3 LYS 68 lone 1 79 - 1 - HG3 LYS 33 - HE2 LYS 66 lone 1 72 - 1 - HG3 LYS 13 - HE2 LYS 68 lone 1 64 - 1 - HG3 LYS 24 - HE3 LYS 68 lone 0 55 - 1 - HG3 LYS 33 - HE3 LYS 68 lone 0 66 - 1 - HG3 LYS 24 - HE2 LYS 68 lone 0 43 - 1 - HG3 LYS 33 - HE2 LYS 68 lone 0 53 - 0 - Peak 2969 from cnoeabs.peaks (1.60, 2.90, 41.80 ppm; 3.03 A): 2 out of 52 assignments used, quality = 1.00: * HD2 LYS 66 + HE3 LYS 66 OK 100 100 - 100 - 2.9=100 HD2 LYS 66 + HE2 LYS 66 OK 87 87 - 100 - 2.9=100 HD3 LYS 94 - HE3 LYS 68 OK 26 80 - 33 - 4250=3, 4250/1.8=3...(16) HG3 LYS 12 - HE3 LYS 66 OK 23 97 - 24 - 2947/2.9=4, 3275/3.6=2...(11) HD3 LYS 94 - HE2 LYS 68 OK 20 64 - 32 - 4250=3, 4250/1.8=3...(17) HG3 LYS 12 - HE2 LYS 66 OK 20 81 - 25 - 2947/2.9=4, 3275/3.6=2...(11) HD3 LYS 94 - HE3 LYS 66 OK 18 100 - 18 - 2947/2.9=2, 4250=2...(4) HD3 LYS 94 - HE2 LYS 66 OK 17 86 - 19 - 2947/2.9=2, 4250/1.8=2, 4250=1 HD2 LYS 66 - HE3 LYS 68 OK 16 81 - 20 - 2939=2, 1.8/2950=2...(8) HD2 LYS 66 - HE2 LYS 68 OK 13 65 - 20 - 2939=2, 1.8/2950=2...(8) HG3 LYS 73 - HE3 LYS 66 OK 11 100 - 11 - 2947/2.9=2, 3275/3.6=1 HG3 LYS 73 - HE2 LYS 66 poor 10 86 - 11 - 2947/2.9=2, 3275/3.6=1 HG2 ARG 19 - HE3 LYS 66 poor 9 73 - 13 - ~2932=2, ~2943=1...(4) HG2 ARG 19 - HE2 LYS 66 poor 7 57 - 13 - ~2932=2, ~2943=1...(4) HG2 LYS 24 - HE3 LYS 66 lone 6 77 - 7 - HG LEU 27 - HE3 LYS 66 lone 5 100 - 5 - HG3 LYS 12 - HE3 LYS 68 lone 5 75 - 7 - HG LEU 27 - HE2 LYS 66 lone 5 86 - 5 - HB3 LEU 29 - HE3 LYS 66 lone 5 99 - 5 - HG2 LYS 24 - HE2 LYS 66 lone 4 61 - 7 - HG3 LYS 12 - HE2 LYS 68 lone 4 60 - 7 - HB2 ARG 30 - HE3 LYS 66 lone 4 100 - 4 - HB3 LEU 29 - HE2 LYS 66 lone 4 84 - 5 - HG3 LYS 90 - HE3 LYS 68 lone 4 49 - 8 - HB2 ARG 30 - HE2 LYS 66 lone 3 86 - 4 - HG3 LYS 90 - HE2 LYS 68 lone 3 38 - 8 - HG3 LYS 90 - HE3 LYS 66 lone 3 70 - 4 - HB3 LEU 29 - HE3 LYS 68 lone 3 78 - 3 - 8670/5.0=1 HG LEU 27 - HE3 LYS 68 lone 3 80 - 3 - HB2 ARG 79 - HE3 LYS 68 lone 2 80 - 3 - HG3 LYS 90 - HE2 LYS 66 lone 2 54 - 4 - HB2 ARG 79 - HE3 LYS 66 lone 2 100 - 2 - HG2 ARG 19 - HE3 LYS 68 lone 2 52 - 4 - HB3 LEU 29 - HE2 LYS 68 lone 2 63 - 3 - 8670/5.0=1 HG LEU 27 - HE2 LYS 68 lone 2 64 - 3 - HB2 ARG 79 - HE2 LYS 68 lone 2 65 - 3 - HB2 ARG 79 - HE2 LYS 66 lone 2 87 - 2 - HB2 LEU 103 - HE3 LYS 66 lone 2 73 - 2 - HG2 ARG 19 - HE2 LYS 68 lone 2 41 - 4 - HG LEU 103 - HE3 LYS 66 lone 1 61 - 2 - HB2 LEU 103 - HE3 LYS 68 lone 1 52 - 2 - HB2 LEU 103 - HE2 LYS 66 lone 1 57 - 2 - HB2 ARG 30 - HE3 LYS 68 lone 1 80 - 1 - HG3 LYS 73 - HE3 LYS 68 lone 1 80 - 1 - HB2 LEU 103 - HE2 LYS 68 lone 1 41 - 2 - HB2 ARG 30 - HE2 LYS 68 lone 1 65 - 1 - HG LEU 103 - HE2 LYS 66 lone 1 47 - 2 - HG3 LYS 73 - HE2 LYS 68 lone 1 64 - 1 - HG LEU 103 - HE3 LYS 68 lone 1 43 - 2 - HG LEU 103 - HE2 LYS 68 lone 1 33 - 2 - HG2 LYS 24 - HE3 LYS 68 lone 0 55 - 1 - HG2 LYS 24 - HE2 LYS 68 lone 0 43 - 1 - Peak 2970 from cnoeabs.peaks (1.70, 2.90, 41.80 ppm; 2.94 A): 2 out of 64 assignments used, quality = 1.00: * HD3 LYS 66 + HE3 LYS 66 OK 100 100 - 100 - 2.9=100 HD3 LYS 66 + HE2 LYS 66 OK 87 87 - 100 - 2.9=100 HG LEU 70 - HE3 LYS 66 OK 26 100 - 26 - ~10821=3, 10959/3.6=3...(11) HG LEU 70 - HE2 LYS 66 OK 20 86 - 24 - 10959/3.6=3, 10959/3.6=3...(10) HG2 PRO 86 - HE3 LYS 66 OK 18 94 - 19 - ~12288=2, 2937/2.9=2...(10) HD3 LYS 12 - HE3 LYS 66 OK 16 100 - 16 - 2937/2.9=2, 2892/4.7=1...(6) HD2 LYS 12 - HE3 LYS 66 OK 16 100 - 16 - 2937/2.9=2, 2892/4.7=1...(6) HD3 LYS 66 - HE3 LYS 68 OK 15 81 - 19 - 2950=2, 2950/1.8=2...(7) HG2 PRO 86 - HE2 LYS 66 OK 15 77 - 19 - ~12288=2, 2937/2.9=2...(10) HB3 LEU 70 - HE3 LYS 66 OK 15 81 - 19 - ~10821=2, 3.0/12323=2...(8) HD2 LYS 12 - HE2 LYS 66 OK 14 87 - 16 - 2937/2.9=2, 3.6/2955=1...(6) HD3 LYS 12 - HE2 LYS 66 OK 14 87 - 16 - 2937/2.9=2, 3.6/2955=1...(6) HD3 LYS 66 - HE2 LYS 68 OK 12 65 - 19 - 2950=2, 2950/1.8=2...(7) HB3 LEU 70 - HE2 LYS 66 OK 10 64 - 16 - 3.0/12323=2, ~12323=2...(7) HB3 ARG 91 - HE3 LYS 66 poor 7 61 - 12 - ~10781=3 HD3 LYS 13 - HE3 LYS 66 lone 6 100 - 6 - HD2 LYS 13 - HE3 LYS 66 lone 6 100 - 6 - HD3 LYS 24 - HE3 LYS 66 lone 6 99 - 6 - HD2 LYS 24 - HE3 LYS 66 lone 6 98 - 6 - HD3 LYS 13 - HE2 LYS 66 lone 6 87 - 6 - HB3 ARG 91 - HE2 LYS 66 poor 6 47 - 12 - ~10781=3 HD2 LYS 13 - HE2 LYS 66 lone 6 87 - 6 - HD3 LYS 24 - HE2 LYS 66 lone 5 84 - 6 - HD2 LYS 24 - HE2 LYS 66 lone 5 83 - 6 - HB2 LEU 2 - HE3 LYS 66 lone 5 100 - 5 - HB3 LYS 40 - HE3 LYS 68 lone 4 46 - 9 - HB2 LEU 2 - HE2 LYS 66 lone 4 87 - 5 - HG12 ILE 15 - HE3 LYS 66 lone 4 96 - 4 - HD3 LYS 90 - HE3 LYS 66 lone 3 99 - 3 - HG12 ILE 15 - HE2 LYS 66 lone 3 79 - 4 - HB3 LYS 40 - HE2 LYS 68 lone 3 36 - 9 - HD3 LYS 90 - HE2 LYS 66 lone 3 84 - 3 - HD2 LYS 12 - HE3 LYS 68 lone 2 80 - 3 - HD3 LYS 12 - HE3 LYS 68 lone 2 80 - 3 - HB3 LYS 53 - HE3 LYS 68 lone 2 52 - 4 - HD3 LYS 90 - HE3 LYS 68 lone 2 78 - 2 - HG LEU 70 - HE3 LYS 68 lone 2 80 - 2 - HD2 LYS 12 - HE2 LYS 68 lone 2 65 - 2 - HD3 LYS 12 - HE2 LYS 68 lone 2 65 - 2 - HB3 LYS 53 - HE2 LYS 68 lone 1 41 - 4 - HD3 LYS 90 - HE2 LYS 68 lone 1 63 - 2 - HG LEU 70 - HE2 LYS 68 lone 1 64 - 2 - HG2 PRO 86 - HE3 LYS 68 lone 1 71 - 2 - HB3 LYS 53 - HE3 LYS 66 lone 1 73 - 1 - HB3 LEU 70 - HE3 LYS 68 lone 1 58 - 2 - HB2 LEU 2 - HE3 LYS 68 lone 1 81 - 1 - HB3 LYS 53 - HE2 LYS 66 lone 1 57 - 1 - HG12 ILE 15 - HE3 LYS 68 lone 1 73 - 1 - HG2 PRO 86 - HE2 LYS 68 lone 1 57 - 1 - HB3 LEU 70 - HE2 LYS 68 lone 1 46 - 2 - HB2 LEU 2 - HE2 LYS 68 lone 1 65 - 1 - HG12 ILE 15 - HE2 LYS 68 lone 1 58 - 1 - HB3 LYS 40 - HE3 LYS 66 lone 1 65 - 1 - HD2 LYS 13 - HE3 LYS 68 lone 0 80 - 1 - HD3 LYS 13 - HE3 LYS 68 lone 0 80 - 1 - HD3 LYS 24 - HE3 LYS 68 lone 0 78 - 1 - HD2 LYS 24 - HE3 LYS 68 lone 0 76 - 1 - HB3 LYS 40 - HE2 LYS 66 lone 0 50 - 1 - HD2 LYS 13 - HE2 LYS 68 lone 0 65 - 1 - HD3 LYS 13 - HE2 LYS 68 lone 0 65 - 1 - HB3 ARG 91 - HE3 LYS 68 lone 0 43 - 1 - HD3 LYS 24 - HE2 LYS 68 lone 0 63 - 1 - HD2 LYS 24 - HE2 LYS 68 lone 0 61 - 1 - HB3 ARG 91 - HE2 LYS 68 lone 0 33 - 1 - Peak 2971 from cnoeabs.peaks (2.90, 2.90, 41.80 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: HE3 LYS 66 + HE3 LYS 66 OK 98 98 - 100 HE2 LYS 66 + HE2 LYS 66 OK 87 87 - 100 HE3 LYS 68 + HE3 LYS 68 OK 61 61 - 100 HE2 LYS 68 - HE2 LYS 68 OK 43 43 - 100 Reference assignment not found: HE2 LYS 66 - HE3 LYS 66 Peak 2972 from cnoeabs.peaks (2.90, 2.90, 41.80 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 66 + HE3 LYS 66 OK 100 100 - 100 HE2 LYS 66 + HE2 LYS 66 OK 83 83 - 100 HE3 LYS 68 + HE3 LYS 68 OK 75 75 - 100 HE2 LYS 68 + HE2 LYS 68 OK 57 57 - 100 Peak 2974 from cnoeabs.peaks (8.48, 3.85, 55.40 ppm; 3.70 A): 1 out of 12 assignments used, quality = 1.00: * H ALA 67 + HA ALA 67 OK 100 100 - 100 - 3.0=100 H VAL 32 - HA ALA 67 OK 23 100 - 23 - 2982/2.1=5, 4.0/8934=5...(6) H ALA 67 - HA ALA 71 OK 12 54 - 22 - 7094=5, 7097/3.6=4...(9) H VAL 54 - HA ALA 67 OK 11 92 - 12 - 7103/3.6=3, 4.0/10658=3...(4) H LYS 53 - HA ALA 67 lone 7 84 - 8 - 7103/3.6=2, 2982/2.1=2 H THR 31 - HA ALA 67 lone 4 73 - 5 - H VAL 54 - HA ALA 71 lone 4 45 - 9 - 4.0/10658=7 H ARG 79 - HA ALA 67 lone 3 61 - 5 - 7103/3.6=1, 4.3/9525=1 H ARG 79 - HA ALA 71 lone 2 27 - 7 - 4.3/9525=3, 4.3/10838=2 H VAL 32 - HA ALA 71 lone 2 54 - 3 - H LYS 53 - HA ALA 71 lone 1 39 - 2 - H THR 31 - HA ALA 71 lone 1 33 - 2 - Peak 2975 from cnoeabs.peaks (3.85, 3.85, 55.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ALA 67 + HA ALA 67 OK 100 100 - 100 HA ALA 71 + HA ALA 71 OK 48 48 - 100 Peak 2976 from cnoeabs.peaks (1.34, 3.85, 55.40 ppm; 2.89 A): 1 out of 20 assignments used, quality = 1.00: * QB ALA 67 + HA ALA 67 OK 100 100 - 100 - 2.1=100 HG2 LYS 94 - HA ALA 67 OK 23 100 - 23 - 1.8/2979=5, 4209=2...(9) HG3 LYS 68 - HA ALA 67 OK 17 87 - 19 - 4.6/7104=6, 3033/4.8=4...(7) HG2 LYS 39 - HA ALA 67 OK 11 96 - 11 - 7105/3.6=2, 3033/4.8=1 HB3 LEU 2 - HA ALA 67 lone 9 99 - 9 - 1.8/2980=1 HG2 LYS 94 - HA ALA 71 poor 9 54 - 16 - 4208/3.0=3, ~4219=2...(7) HB3 LEU 27 - HA ALA 67 lone 8 97 - 8 - 7095/3.0=1 QB ALA 67 - HA ALA 71 poor 8 54 - 15 - 2983=4, 3.6/7104=2...(6) HB2 LYS 82 - HA ALA 67 lone 8 98 - 8 - ~10783=1, 7095/3.0=1 QB ALA 25 - HA ALA 67 lone 8 100 - 8 - 10334=3 HG LEU 14 - HA ALA 67 lone 7 84 - 9 - 11079/9322=1, 7095/3.0=1 HB3 LEU 27 - HA ALA 71 poor 6 49 - 12 - 1196/3.0=2, ~1188=2...(4) QB ALA 25 - HA ALA 71 lone 4 54 - 8 - 10334=3, 10476/3.0=2, 3.6/8608=2 QB ALA 89 - HA ALA 67 lone 4 100 - 4 - HG3 LYS 68 - HA ALA 71 lone 4 41 - 9 - ~10834=2, 3042/3.6=2...(4) HB3 LEU 2 - HA ALA 71 lone 2 53 - 4 - HG2 LYS 39 - HA ALA 71 lone 2 48 - 3 - HG LEU 14 - HA ALA 71 lone 2 39 - 4 - QB ALA 89 - HA ALA 71 lone 1 54 - 1 - HB2 LYS 82 - HA ALA 71 lone 1 51 - 1 - Peak 2977 from cnoeabs.peaks (8.19, 3.85, 55.40 ppm; 4.42 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 68 + HA ALA 67 OK 100 100 - 100 - 3.6=100 H GLU 43 - HA ALA 67 OK 32 97 - 33 - 2985/2.1=6, 7096/3.0=6...(11) H LYS 68 - HA ALA 71 OK 23 54 - 43 - 7115/3.6=9, 10789/4.9=8...(9) H ASP 36 - HA ALA 67 OK 20 100 - 20 - 7096/3.0=5, 2985/2.1=5 H GLU 43 - HA ALA 71 OK 14 49 - 28 - 6698/3.0=9, 4.6/2978=4...(9) H ASP 36 - HA ALA 71 poor 6 54 - 10 - 8772/9649=1, 6720/3.0=1 Peak 2978 from cnoeabs.peaks (7.96, 3.85, 55.40 ppm; 4.19 A): 4 out of 4 assignments used, quality = 0.85: * H LEU 70 + HA ALA 67 OK 58 100 - 59 - 7116/3.6=15, 7142/4.8=15...(11) H LEU 70 + HA ALA 71 OK 32 54 - 59 - 7155/3.0=18, 7140=12...(13) H LEU 42 + HA ALA 67 OK 31 100 - 31 - 7116/3.6=10, 6665=4...(8) H LEU 42 + HA ALA 71 OK 24 54 - 46 - 7157/3.0=10, 8913/2.1=9...(14) Peak 2979 from cnoeabs.peaks (1.37, 3.85, 55.40 ppm; 3.13 A): 4 out of 12 assignments used, quality = 0.64: HB2 LEU 70 + HA ALA 71 OK 27 54 - 50 - 7159/3.0=11, 1.8/3141=7...(18) * HB2 LEU 70 + HA ALA 67 OK 27 100 - 27 - 3.9/2978=5, 1.8/3141=5...(8) HG3 LYS 94 + HA ALA 67 OK 20 87 - 23 - 1.8/2976=4, 4220=3...(11) HG12 ILE 8 + HA ALA 67 OK 15 98 - 15 - 8294/3.0=2, 2.1/8306=2...(8) HG3 LYS 94 - HA ALA 71 poor 8 41 - 19 - 7159/3.0=4, ~4208=2...(9) HG3 LYS 40 - HA ALA 67 lone 6 92 - 7 - 1818=1 HB3 ARG 30 - HA ALA 67 lone 5 100 - 5 - HG LEU 14 - HA ALA 67 lone 5 61 - 8 - ~9527=1, 2.1/9525=1 HG3 LYS 40 - HA ALA 71 lone 3 45 - 7 - 7159/3.0=2, 3126/4.9=1 HG12 ILE 8 - HA ALA 71 lone 3 51 - 6 - 7159/3.0=1, 3126/4.9=1 HB3 ARG 30 - HA ALA 71 lone 2 54 - 4 - 7159/3.0=1, 3126/4.9=1 HG LEU 14 - HA ALA 71 lone 2 27 - 6 - Peak 2980 from cnoeabs.peaks (1.72, 3.85, 55.40 ppm; 3.82 A): 10 out of 28 assignments used, quality = 0.90: * HB3 LEU 70 + HA ALA 67 OK 42 100 - 42 - 1.8/2979=10, 3141=9...(11) HB3 LEU 70 + HA ALA 71 OK 36 54 - 67 - 3149/3.0=15, 3141=14...(19) HG LEU 70 + HA ALA 67 OK 25 70 - 36 - 3.0/2979=8, 2.1/9524=7...(9) HD3 LYS 66 + HA ALA 67 OK 22 81 - 27 - 2951/3.0=5, ~2940=4...(9) HG LEU 70 + HA ALA 71 OK 19 31 - 60 - 3.0/3141=8, 3.0/3132=8...(18) HD2 LYS 12 + HA ALA 67 OK 12 77 - 16 - 3.0/416=3, 3.0/460=2...(8) HD3 LYS 12 + HA ALA 67 OK 12 77 - 16 - 3.0/416=3, 3.0/460=2...(8) HB2 LEU 2 + HA ALA 67 OK 12 81 - 15 - 1.8/2976=2, ~9526=2...(8) HB ILE 15 + HA ALA 71 OK 11 37 - 29 - 2.1/10121=5, 644=4...(13) HB ILE 15 + HA ALA 67 OK 10 81 - 13 - 2.1/10121=2, 644=2...(5) HD3 LYS 13 - HA ALA 67 lone 3 84 - 4 - HD2 LYS 12 - HA ALA 71 lone 3 35 - 9 - 3.0/416=1, 3.0/460=1 HD3 LYS 12 - HA ALA 71 lone 3 35 - 9 - 3.0/416=1, 3.0/460=1 HD2 LYS 13 - HA ALA 67 lone 3 77 - 4 - HB2 LEU 2 - HA ALA 71 lone 3 37 - 7 - HD3 LYS 24 - HA ALA 67 lone 2 61 - 3 - HD3 LYS 90 - HA ALA 67 lone 2 61 - 3 - HD3 LYS 66 - HA ALA 71 lone 1 37 - 4 - 3127/4.9=1 HD3 LYS 13 - HA ALA 71 lone 1 39 - 3 - HD2 ARG 81 - HA ALA 67 lone 1 92 - 1 - HD2 LYS 33 - HA ALA 67 lone 1 94 - 1 - HD3 LYS 33 - HA ALA 67 lone 1 94 - 1 - HD2 LYS 13 - HA ALA 71 lone 1 35 - 3 - HD2 ARG 81 - HA ALA 71 lone 1 45 - 2 - HD3 LYS 24 - HA ALA 71 lone 1 27 - 4 - HD2 LYS 33 - HA ALA 71 lone 1 47 - 2 - HD3 LYS 33 - HA ALA 71 lone 1 47 - 2 - HD3 LYS 90 - HA ALA 71 lone 1 27 - 2 - Peak 2981 from cnoeabs.peaks (3.75, 1.34, 17.79 ppm; 3.64 A): 1 out of 1 assignment used, quality = 0.66: * HA LEU 64 + QB ALA 67 OK 66 100 - 66 - 7099/3.6=23, 7081/2.9=21...(14) Peak 2982 from cnoeabs.peaks (8.48, 1.34, 17.79 ppm; 2.96 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 67 + QB ALA 67 OK 100 100 - 100 - 2.9=100 H VAL 32 - QB ALA 67 OK 17 100 - 17 - 4.0/9526=5, 4.0/10336=3...(5) H VAL 54 - QB ALA 67 lone 7 92 - 7 - 7103/3.6=2, 2974/2.1=1 H LYS 53 - QB ALA 67 lone 5 84 - 6 - 7103/3.6=1 H ARG 79 - QB ALA 67 lone 3 61 - 4 - H THR 31 - QB ALA 67 lone 2 73 - 3 - Peak 2983 from cnoeabs.peaks (3.85, 1.34, 17.79 ppm; 2.88 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 67 + QB ALA 67 OK 100 100 - 100 - 2.1=100 HA LYS 94 - QB ALA 67 OK 16 87 - 19 - 4174=2, 3.0/4201=2...(9) HA ALA 71 - QB ALA 67 OK 13 96 - 13 - 7104/3.6=2, 7094/2.9=2...(6) HA LYS 12 - QB ALA 67 lone 10 100 - 10 - 7094/2.9=2, 3.0/10784=2...(4) HA LYS 40 - QB ALA 67 lone 8 90 - 9 - 1779/3.6=3, 7094/2.9=1 HB3 SER 49 - QB ALA 67 lone 3 100 - 3 - HA2 GLY 100 - QB ALA 67 lone 2 87 - 2 - HA2 GLY 101 - QB ALA 67 lone 1 87 - 2 - Peak 2984 from cnoeabs.peaks (1.34, 1.34, 17.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 67 + QB ALA 67 OK 100 100 - 100 Peak 2985 from cnoeabs.peaks (8.19, 1.34, 17.79 ppm; 3.35 A): 3 out of 3 assignments used, quality = 0.94: * H LYS 68 + QB ALA 67 OK 91 100 - 91 - 3.6=82, 7096/2.9=19...(13) H GLU 43 + QB ALA 67 OK 16 97 - 16 - 7096/2.9=4, 2977/2.1=3...(5) H ASP 36 + QB ALA 67 OK 13 100 - 13 - 7096/2.9=3, 2977/2.1=2 Peak 2986 from cnoeabs.peaks (8.19, 3.81, 59.95 ppm; 3.35 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 68 + HA LYS 68 OK 100 100 - 100 - 2.9=100 H LYS 68 - HA ARG 19 OK 31 95 - 33 - 7106=10, 4.0/2999=3...(12) H ASP 36 - HA LYS 68 OK 28 100 - 28 - 8778/3.0=5, 2998/3.0=5...(12) H GLU 43 - HA LYS 68 OK 22 97 - 22 - 7122/3.6=4, 2998/3.0=3...(8) H GLU 43 - HA ARG 19 lone 4 90 - 4 - H ASP 36 - HA ARG 19 lone 3 95 - 3 - Peak 2987 from cnoeabs.peaks (3.81, 3.81, 59.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 68 + HA LYS 68 OK 100 100 - 100 HA ARG 19 + HA ARG 19 OK 94 94 - 100 Peak 2988 from cnoeabs.peaks (1.84, 3.81, 59.95 ppm; 2.99 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LYS 68 + HA LYS 68 OK 100 100 - 100 - 3.0=100 HB3 LYS 90 - HA LYS 68 OK 31 99 - 31 - 2999=6, 7107/2.9=4...(13) HB2 LYS 68 - HA ARG 19 OK 26 95 - 27 - 2999=6, 1.8/3011=4...(12) HB2 LYS 53 - HA LYS 68 OK 14 100 - 14 - 7107/2.9=2, 7124/3.6=2...(6) HB3 LEU 57 - HA LYS 68 lone 8 81 - 10 - 7107/2.9=1, 7124/3.6=1 HG2 ARG 46 - HA LYS 68 lone 6 84 - 7 - 7107/2.9=1, 7124/3.6=1 HB3 LYS 90 - HA ARG 19 lone 5 94 - 5 - 2999=1 HB2 LYS 53 - HA ARG 19 lone 3 95 - 3 - HG2 ARG 46 - HA ARG 19 lone 2 76 - 3 - HB3 LEU 57 - HA ARG 19 lone 2 73 - 2 - Peak 2989 from cnoeabs.peaks (1.87, 3.81, 59.95 ppm; 2.93 A): 1 out of 18 assignments used, quality = 0.98: * HB3 LYS 68 + HA LYS 68 OK 98 100 - 98 - 3.0=94, 1.8/2988=17...(25) HB3 LYS 39 - HA LYS 68 OK 38 94 - 41 - 3011=5, 3001/3.0=4...(15) HB3 LYS 66 - HA LYS 68 OK 26 92 - 28 - 7108/2.9=4, 7125/3.6=3...(12) HB2 LYS 20 - HA ARG 19 OK 26 58 - 45 - 1.8/780=5, 6307/3.6=4...(20) HB3 LYS 68 - HA ARG 19 OK 25 95 - 27 - 3011=5, 1.8/2999=4...(12) HB3 LYS 12 - HA LYS 68 OK 24 99 - 24 - 3011=3, 1.8/3011=2...(7) HB2 LYS 12 - HA LYS 68 OK 23 97 - 24 - 3011=3, 1.8/3011=3...(7) HB VAL 54 - HA ARG 19 OK 15 73 - 20 - 2.1/8507=2, 2.1/8509=2...(9) HB VAL 5 - HA LYS 68 OK 14 92 - 16 - 2.1/8182=2, 7108/2.9=1, 10368=1 HB3 LYS 66 - HA ARG 19 OK 12 84 - 14 - 1.8/782=2, 2897/3.6=2...(6) HB VAL 5 - HA ARG 19 poor 10 84 - 12 - 2.1/8182=2, 8192/8685=1...(4) HB2 LYS 20 - HA LYS 68 poor 7 65 - 10 - 4.0/6299=2, 4.6/6321=2 HB VAL 54 - HA LYS 68 lone 6 81 - 8 - HB3 LYS 12 - HA ARG 19 lone 6 93 - 6 - HB2 LYS 12 - HA ARG 19 lone 5 90 - 6 - HB3 GLU 104 - HA LYS 68 lone 5 100 - 5 - HB3 LYS 39 - HA ARG 19 lone 5 87 - 6 - HB3 GLU 104 - HA ARG 19 lone 1 95 - 1 - Peak 2990 from cnoeabs.peaks (1.64, 3.81, 59.95 ppm; 3.44 A): 4 out of 22 assignments used, quality = 1.00: * HG2 LYS 68 + HA LYS 68 OK 92 100 - 92 - 4.0=65, 1.8/3033=17...(32) HD3 LYS 68 + HA LYS 68 OK 79 94 - 85 - 5.3=27, 3.5/2988=13...(43) HD2 LYS 68 + HA LYS 68 OK 78 92 - 85 - 5.3=27, 3.5/2988=13...(43) HD3 LYS 39 + HA LYS 68 OK 57 100 - 57 - 1738/3.0=6, 1739/4.0=5...(32) HD2 LYS 39 - HA LYS 68 OK 42 87 - 49 - 3.0/3033=5, 3.0/787=4...(26) HB ILE 76 - HA ARG 19 OK 31 95 - 33 - 3424/3.0=7, ~3432=4...(15) HG2 LYS 68 - HA ARG 19 OK 25 95 - 27 - 3022=6, 1.8/3033=5...(7) HD3 LYS 68 - HA ARG 19 OK 19 87 - 22 - 3.0/3022=4, 3.5/2999=4...(7) HD2 LYS 68 - HA ARG 19 OK 19 84 - 22 - 3.0/3022=4, 3.5/2999=4...(7) HB2 LYS 40 - HA LYS 68 OK 17 99 - 17 - ~1779=2, 1788/4.0=2...(7) HD2 LYS 94 - HA LYS 68 OK 16 65 - 24 - 1.8/781=2, 3.0/2991=1...(5) HB ILE 76 - HA LYS 68 lone 8 100 - 8 - HD2 LYS 94 - HA ARG 19 poor 8 58 - 14 - ~803=1, 1.8/781=1...(5) HD3 LYS 39 - HA ARG 19 lone 6 95 - 6 - HB3 LEU 6 - HA LYS 68 lone 5 98 - 5 - ~10372=1 HD2 LYS 39 - HA ARG 19 lone 4 79 - 5 - HB3 ARG 79 - HA LYS 68 lone 3 87 - 3 - HB2 LYS 40 - HA ARG 19 lone 3 94 - 3 - HB3 LEU 6 - HA ARG 19 lone 2 92 - 2 - HB3 ARG 79 - HA ARG 19 lone 2 79 - 2 - HG3 LYS 47 - HA LYS 68 lone 1 57 - 2 - HG3 LYS 47 - HA ARG 19 lone 1 51 - 2 - Peak 2991 from cnoeabs.peaks (1.35, 3.81, 59.95 ppm; 3.24 A): 3 out of 24 assignments used, quality = 0.97: * HG3 LYS 68 + HA LYS 68 OK 87 100 - 87 - 4.0=55, 2.9/2988=15...(33) HG2 LYS 39 + HA LYS 68 OK 52 99 - 52 - 3033=7, 1.8/787=5...(18) QB ALA 67 + HA LYS 68 OK 51 87 - 59 - 4.9=29, 2985/2.9=14...(11) HG3 LYS 68 - HA ARG 19 OK 23 95 - 24 - 3033=5, 1.8/3022=5...(7) HG2 LYS 94 - HA LYS 68 OK 16 92 - 18 - 4214/4.0=2, 7105/2.9=2...(7) HG12 ILE 8 - HA ARG 19 OK 16 73 - 22 - 12204/3.0=3, ~12203=2...(9) HG3 LYS 40 - HA LYS 68 OK 15 92 - 17 - 3026/4.0=2, 1.8/8512=2...(5) HB3 LEU 27 - HA LYS 68 OK 14 99 - 14 - 3.1/8640=2, 7110/2.9=1 HB2 LYS 82 - HA ARG 19 OK 12 92 - 13 - 3651/4.0=2, 1.8/782=2...(6) HB3 LEU 27 - HA ARG 19 OK 11 93 - 12 - 1203/3.6=2, 3.1/8640=2 HG2 LYS 94 - HA ARG 19 OK 10 84 - 12 - 4210/3.0=1, 2.9/780=1 HG LEU 14 - HA LYS 68 lone 9 100 - 9 - 7127/3.6=1, 7110/2.9=1 QB ALA 67 - HA ARG 19 lone 7 79 - 8 - 3.6/7106=4, 2.9/12278=1 HG2 LYS 39 - HA ARG 19 lone 7 94 - 7 - HG LEU 14 - HA ARG 19 lone 6 95 - 7 - 8409/8452=1 HB2 LYS 82 - HA LYS 68 lone 6 98 - 6 - QB ALA 25 - HA LYS 68 lone 5 92 - 6 - 10334/4.8=1 HG12 ILE 8 - HA LYS 68 lone 4 81 - 5 - QB ALA 89 - HA LYS 68 lone 4 92 - 4 - QB ALA 25 - HA ARG 19 lone 2 84 - 3 - HB3 LEU 2 - HA LYS 68 lone 2 73 - 3 - HG3 LYS 40 - HA ARG 19 lone 2 84 - 3 - QB ALA 89 - HA ARG 19 lone 2 84 - 2 - HB3 LEU 2 - HA ARG 19 lone 1 66 - 2 - Peak 2992 from cnoeabs.peaks (1.65, 3.81, 59.95 ppm; 3.44 A): 5 out of 24 assignments used, quality = 1.00: * HD2 LYS 68 + HA LYS 68 OK 85 100 - 85 - 5.3=27, 3.5/2988=13...(44) HD3 LYS 68 + HA LYS 68 OK 85 100 - 85 - 5.3=27, 3.5/2988=13...(43) HG2 LYS 68 + HA LYS 68 OK 84 92 - 92 - 4.0=65, 1.8/3033=17...(31) HD2 LYS 39 + HA LYS 68 OK 50 100 - 50 - 3.0/3033=5, 3044=5...(26) HD3 LYS 39 + HA LYS 68 OK 49 90 - 55 - 1738/3.0=5, 3.0/3033=5...(32) HB ILE 76 - HA ARG 19 OK 29 89 - 32 - 3424/3.0=6, ~3432=4...(15) HG2 LYS 68 - HA ARG 19 OK 21 84 - 26 - 3022=5, 1.8/3033=5...(7) HD2 LYS 68 - HA ARG 19 OK 21 95 - 22 - 3.0/3022=4, 3.5/2999=4...(7) HD3 LYS 68 - HA ARG 19 OK 21 95 - 22 - 3.0/3022=4, 3.5/2999=4...(7) HB2 LYS 40 - HA LYS 68 OK 17 98 - 17 - ~1779=2, 1788/4.0=2...(7) HB ILE 76 - HA LYS 68 lone 7 96 - 7 - HB3 LEU 6 - HA LYS 68 lone 5 99 - 5 - ~10372=1 HD2 LYS 39 - HA ARG 19 lone 5 95 - 5 - HD3 LYS 39 - HA ARG 19 lone 4 82 - 5 - HB3 ARG 79 - HA LYS 68 lone 3 100 - 3 - HB2 LYS 40 - HA ARG 19 lone 2 92 - 3 - HD3 LYS 73 - HA LYS 68 lone 2 84 - 3 - HB3 ARG 79 - HA ARG 19 lone 2 95 - 2 - HD2 LYS 73 - HA LYS 68 lone 2 77 - 3 - HB ILE 52 - HA LYS 68 lone 2 65 - 3 - 4.5/12278=1 HB3 LEU 6 - HA ARG 19 lone 2 94 - 2 - HB ILE 52 - HA ARG 19 lone 2 58 - 3 - HD3 LYS 73 - HA ARG 19 lone 2 76 - 2 - HD2 LYS 73 - HA ARG 19 lone 1 69 - 2 - Peak 2993 from cnoeabs.peaks (1.65, 3.81, 59.95 ppm; 3.44 A): 5 out of 24 assignments used, quality = 1.00: HG2 LYS 68 + HA LYS 68 OK 86 94 - 92 - 4.0=65, 1.8/3033=17...(31) HD2 LYS 68 + HA LYS 68 OK 85 100 - 85 - 5.3=27, 3.5/2988=13...(43) * HD3 LYS 68 + HA LYS 68 OK 85 100 - 85 - 5.3=27, 3.5/2988=13...(43) HD3 LYS 39 + HA LYS 68 OK 51 92 - 55 - 1738/3.0=5, 3.0/3033=5...(32) HD2 LYS 39 + HA LYS 68 OK 50 100 - 50 - 3.0/3033=5, 3044=5...(26) HB ILE 76 - HA ARG 19 OK 29 90 - 32 - 3424/3.0=6, ~3432=4...(15) HG2 LYS 68 - HA ARG 19 OK 22 87 - 26 - 3022=6, 1.8/3033=5...(7) HD3 LYS 68 - HA ARG 19 OK 21 95 - 22 - 3.0/3022=4, 3.5/2999=4...(7) HD2 LYS 68 - HA ARG 19 OK 21 95 - 22 - 3.0/3022=4, 3.5/2999=4...(7) HB2 LYS 40 - HA LYS 68 OK 17 99 - 17 - ~1779=2, 1788/4.0=2...(7) HB ILE 76 - HA LYS 68 lone 7 97 - 7 - HB3 LEU 6 - HA LYS 68 lone 5 100 - 5 - ~10372=1 HD2 LYS 39 - HA ARG 19 lone 5 95 - 5 - HD3 LYS 39 - HA ARG 19 lone 5 84 - 6 - HB3 ARG 79 - HA LYS 68 lone 3 100 - 3 - HB2 LYS 40 - HA ARG 19 lone 3 93 - 3 - HD3 LYS 73 - HA LYS 68 lone 2 81 - 3 - HB3 ARG 79 - HA ARG 19 lone 2 95 - 2 - HD2 LYS 73 - HA LYS 68 lone 2 73 - 3 - HB ILE 52 - HA LYS 68 lone 2 61 - 3 - 4.5/12278=1 HB3 LEU 6 - HA ARG 19 lone 2 95 - 2 - HB ILE 52 - HA ARG 19 lone 2 55 - 3 - HD3 LYS 73 - HA ARG 19 lone 2 73 - 2 - HD2 LYS 73 - HA ARG 19 lone 1 66 - 2 - Peak 2994 from cnoeabs.peaks (2.91, 3.81, 59.95 ppm; 5.62 A): 5 out of 20 assignments used, quality = 1.00: * HE2 LYS 68 + HA LYS 68 OK 99 100 - 99 - 6.3=73, 3.6/3033=23...(43) HE3 LYS 68 + HA LYS 68 OK 99 100 - 99 - 6.3=73, 3.6/3033=23...(43) HE3 LYS 94 + HA LYS 68 OK 51 100 - 51 - 3029/4.0=4, 3006/3.0=4...(23) HE2 LYS 94 + HA LYS 68 OK 50 92 - 55 - 3029/4.0=4, 3006/3.0=4...(31) HE3 LYS 66 + HA LYS 68 OK 49 94 - 52 - 7114/2.9=5, 7131/3.6=5...(22) HE3 LYS 20 - HA LYS 68 OK 43 100 - 43 - 7.3/6299=4, 3006/3.0=3...(23) HE2 LYS 20 - HA LYS 68 OK 43 100 - 43 - 7.3/6299=4, 3006/3.0=3...(23) HE2 LYS 20 - HA ARG 19 OK 43 95 - 45 - 6314/3.6=9, 4.7/780=7...(17) HE3 LYS 20 - HA ARG 19 OK 42 95 - 45 - 6314/3.6=9, 4.7/780=7...(16) HE2 LYS 66 - HA LYS 68 OK 42 77 - 55 - 4.7/782=4, 7114/2.9=4...(27) HE3 LYS 68 - HA ARG 19 OK 40 95 - 42 - 3.6/3022=9, 3.6/3033=7...(8) HE2 LYS 68 - HA ARG 19 OK 40 95 - 42 - 3.6/3022=9, 3.6/3033=7...(8) HE3 LYS 94 - HA ARG 19 OK 28 95 - 29 - 6314/3.6=4, ~803=2...(10) HE2 LYS 94 - HA ARG 19 OK 25 84 - 29 - 6314/3.6=4, ~803=2...(10) HE3 LYS 66 - HA ARG 19 OK 18 87 - 21 - 4.7/782=3, 6313/3.6=3...(9) HE2 LYS 66 - HA ARG 19 OK 14 69 - 20 - 4.7/782=3, 6313/3.6=2...(9) HB2 ASN 60 - HA LYS 68 lone 2 65 - 4 - HB2 ASN 10 - HA LYS 68 lone 2 65 - 3 - HB2 ASN 10 - HA ARG 19 lone 2 58 - 3 - HB2 ASN 60 - HA ARG 19 lone 1 58 - 2 - Peak 2995 from cnoeabs.peaks (2.91, 3.81, 59.95 ppm; 5.62 A): 6 out of 18 assignments used, quality = 1.00: * HE3 LYS 68 + HA LYS 68 OK 99 100 - 99 - 6.3=73, 3.6/3033=23...(43) HE2 LYS 68 + HA LYS 68 OK 99 100 - 99 - 6.3=73, 3.6/3033=23...(43) HE3 LYS 94 + HA LYS 68 OK 51 100 - 51 - 3029/4.0=4, 3007/3.0=4...(23) HE3 LYS 66 + HA LYS 68 OK 50 97 - 52 - 7114/2.9=5, 7131/3.6=5...(22) HE2 LYS 94 + HA LYS 68 OK 47 87 - 54 - 3029/4.0=4, 3006/3.0=4...(30) HE2 LYS 66 + HA LYS 68 OK 46 84 - 55 - 4.7/782=4, 7114/2.9=4...(27) HE2 LYS 20 - HA LYS 68 OK 43 99 - 43 - 7.3/6299=4, 3006/3.0=3...(23) HE3 LYS 20 - HA LYS 68 OK 43 99 - 43 - 7.3/6299=4, 3006/3.0=3...(23) HE2 LYS 20 - HA ARG 19 OK 42 94 - 45 - 6313/3.6=9, 4.7/780=7...(17) HE3 LYS 20 - HA ARG 19 OK 42 93 - 45 - 6313/3.6=9, 4.7/780=7...(16) HE3 LYS 68 - HA ARG 19 OK 40 95 - 42 - 3.6/3022=9, 3.6/3033=7...(8) HE2 LYS 68 - HA ARG 19 OK 40 95 - 42 - 3.6/3022=9, 3.6/3033=7...(8) HE3 LYS 94 - HA ARG 19 OK 27 95 - 29 - 6313/3.6=4, ~803=2...(10) HE2 LYS 94 - HA ARG 19 OK 23 79 - 29 - 6314/3.6=4, ~803=2...(10) HE3 LYS 66 - HA ARG 19 OK 19 90 - 21 - 4.7/782=3, 6313/3.6=3...(9) HE2 LYS 66 - HA ARG 19 OK 15 76 - 20 - 4.7/782=3, 2952/3.6=2...(9) HB2 ASN 60 - HA LYS 68 lone 3 73 - 4 - HB2 ASN 60 - HA ARG 19 lone 1 66 - 2 - Peak 2996 from cnoeabs.peaks (7.90, 3.81, 59.95 ppm; 3.76 A): 2 out of 6 assignments used, quality = 1.00: * H GLU 69 + HA LYS 68 OK 100 100 - 100 - 3.6=100 H GLN 72 + HA LYS 68 OK 53 98 - 55 - 9557/3.0=13, 7115/2.9=8...(14) H ASP 65 - HA LYS 68 OK 37 65 - 56 - 7115/2.9=9, ~2856=9...(16) H GLU 69 - HA ARG 19 OK 21 95 - 22 - 7123=7, 4.6/7106=4...(5) H GLN 72 - HA ARG 19 OK 10 92 - 11 - 4.8/12324=2, 3.0/10791=1 H ASP 65 - HA ARG 19 lone 4 58 - 7 - 4.6/785=1 Peak 2997 from cnoeabs.peaks (4.31, 1.84, 32.18 ppm; 3.91 A): 5 out of 6 assignments used, quality = 0.92: * HA ASP 65 + HB2 LYS 68 OK 83 100 - 84 - 2856=37, 9500/2.9=22...(22) HA LEU 103 + HB2 LYS 68 OK 22 87 - 25 - 7118/4.6=5, 3009/1.8=5...(7) HA GLU 28 + HB2 LYS 68 OK 21 100 - 21 - 3009/1.8=5, 7100/4.0=4...(6) HA GLU 28 + HB3 LYS 90 OK 13 92 - 14 - 1230/3.6=3, 3.0/3941=2...(6) HA ASP 65 + HB3 LYS 90 OK 11 93 - 12 - 2856=4, 2855/7107=2 HA LEU 103 - HB3 LYS 90 lone 6 76 - 8 - Peak 2998 from cnoeabs.peaks (8.19, 1.84, 32.18 ppm; 3.46 A): 2 out of 6 assignments used, quality = 0.93: * H LYS 68 + HB2 LYS 68 OK 90 100 - 90 - 4.0=63, 7108/1.8=18...(22) H ASP 36 + HB2 LYS 68 OK 34 100 - 34 - 3021/2.9=6, 8778/1.8=6...(13) H LYS 68 - HB3 LYS 90 OK 26 93 - 28 - 7107=8, 2.9/2999=5...(7) H GLU 43 - HB2 LYS 68 OK 20 97 - 20 - 3021/2.9=4, 2986/3.0=3...(8) H GLU 43 - HB3 LYS 90 OK 11 88 - 13 - 6687/1.8=3, 6688/2.8=2...(5) H ASP 36 - HB3 LYS 90 lone 6 93 - 6 - Peak 2999 from cnoeabs.peaks (3.81, 1.84, 32.18 ppm; 3.41 A): 1 out of 8 assignments used, quality = 1.00: * HA LYS 68 + HB2 LYS 68 OK 100 100 - 100 - 3.0=100 HA LYS 68 - HB3 LYS 90 OK 37 93 - 40 - 2988=8, 2.9/7107=5...(16) HA ARG 19 - HB2 LYS 68 OK 34 99 - 35 - 2988=7, 3011/1.8=5...(12) HA SER 97 - HB2 LYS 68 OK 10 90 - 11 - 3022/2.9=2, 3033/2.9=2...(4) HB3 SER 102 - HB2 LYS 68 lone 9 99 - 9 - 7123/4.6=2, 3022/2.9=1...(4) HA ARG 19 - HB3 LYS 90 lone 6 92 - 7 - 2988=1 HB3 SER 102 - HB3 LYS 90 lone 5 91 - 5 - 4.0/3935=3, 4461/4.1=1 HA SER 97 - HB3 LYS 90 lone 2 79 - 3 - Peak 3000 from cnoeabs.peaks (1.84, 1.84, 32.18 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 68 + HB2 LYS 68 OK 100 100 - 100 HB3 LYS 90 + HB3 LYS 90 OK 92 92 - 100 Peak 3001 from cnoeabs.peaks (1.87, 1.84, 32.18 ppm; 2.40 A): 1 out of 18 assignments used, quality = 1.00: * HB3 LYS 68 + HB2 LYS 68 OK 100 100 - 100 - 1.8=100 HB3 LYS 39 - HB2 LYS 68 OK 36 94 - 39 - 3012=6, 3024/2.9=3...(16) HB3 LYS 68 - HB3 LYS 90 OK 25 93 - 27 - 3012=6, 2.9/3023=3...(13) HB3 LYS 12 - HB2 LYS 68 OK 18 99 - 18 - 3012=3, 1.8/3012=2...(4) HB2 LYS 12 - HB2 LYS 68 OK 18 97 - 18 - 3012=3, 1.8/3012=2...(4) HB3 LYS 66 - HB2 LYS 68 OK 12 92 - 13 - 7108/4.0=1, 7125/4.6=1...(4) HB3 GLU 104 - HB3 LYS 90 lone 8 93 - 8 - 4530/1.8=2 HB VAL 5 - HB2 LYS 68 lone 8 92 - 8 - HB3 LYS 12 - HB3 LYS 90 lone 6 91 - 7 - 3012=1 HB2 LYS 12 - HB3 LYS 90 lone 6 88 - 7 - HB3 LYS 39 - HB3 LYS 90 lone 5 84 - 6 - HB3 GLU 104 - HB2 LYS 68 lone 4 100 - 4 - HB VAL 54 - HB2 LYS 68 lone 4 81 - 5 - 3.9/6887=1 HB2 LYS 20 - HB2 LYS 68 lone 3 65 - 4 - HB3 LYS 66 - HB3 LYS 90 lone 2 82 - 2 - HB VAL 54 - HB3 LYS 90 lone 1 70 - 2 - 3.9/6887=1 HB VAL 5 - HB3 LYS 90 lone 1 82 - 1 - HB2 LYS 20 - HB3 LYS 90 lone 0 56 - 1 - Peak 3002 from cnoeabs.peaks (1.64, 1.84, 32.18 ppm; 2.81 A): 4 out of 22 assignments used, quality = 1.00: * HG2 LYS 68 + HB2 LYS 68 OK 97 100 - 97 - 2.9=94, 4.0/2988=7...(29) HD3 LYS 68 + HB2 LYS 68 OK 76 94 - 81 - 3.5=52, 1.8/3056=8...(33) HD2 LYS 68 + HB2 LYS 68 OK 74 92 - 81 - 3.5=52, 1.8/3056=8...(34) HD3 LYS 39 + HB2 LYS 68 OK 51 100 - 52 - 1738/1.8=6, 1739/2.9=5...(22) HD2 LYS 39 - HB2 LYS 68 OK 40 87 - 47 - 3056=6, ~1738=4...(20) HG2 LYS 68 - HB3 LYS 90 OK 29 93 - 31 - 3023=7, 1.8/3034=4...(13) HD3 LYS 68 - HB3 LYS 90 OK 23 84 - 27 - 3.0/3023=4, 3056=3...(9) HD2 LYS 68 - HB3 LYS 90 OK 22 82 - 27 - 3.0/3023=4, 3056=3...(9) HB2 LYS 40 - HB2 LYS 68 OK 16 99 - 16 - 1788/2.9=2, ~1800=1 HD2 LYS 94 - HB2 LYS 68 OK 15 65 - 23 - 3.0/3078=1, 3.0/3006=1...(6) HB ILE 76 - HB3 LYS 90 lone 9 93 - 10 - ~9958=2, ~10883=2, 10884/2.8=1 HB ILE 76 - HB2 LYS 68 lone 6 100 - 6 - HD3 LYS 39 - HB3 LYS 90 lone 6 93 - 6 - 1737/1.8=1 HB3 LEU 6 - HB2 LYS 68 lone 6 98 - 6 - 3.0/10372=1 HD2 LYS 94 - HB3 LYS 90 lone 5 56 - 8 - HD2 LYS 39 - HB3 LYS 90 lone 4 76 - 5 - HB3 ARG 79 - HB2 LYS 68 lone 2 87 - 2 - HG3 LYS 47 - HB3 LYS 90 lone 2 49 - 4 - 4.9/6765=1, 2168/4.1=1 HB2 LYS 40 - HB3 LYS 90 lone 2 92 - 2 - HB3 LEU 6 - HB3 LYS 90 lone 2 89 - 2 - HG3 LYS 47 - HB2 LYS 68 lone 1 57 - 2 - HB3 ARG 79 - HB3 LYS 90 lone 1 76 - 1 - Peak 3003 from cnoeabs.peaks (1.35, 1.84, 32.18 ppm; 3.39 A): 2 out of 24 assignments used, quality = 1.00: * HG3 LYS 68 + HB2 LYS 68 OK 100 100 - 100 - 2.9=100 HG2 LYS 39 + HB2 LYS 68 OK 70 99 - 71 - 3034=9, 3026/2.9=7...(41) HG3 LYS 68 - HB3 LYS 90 OK 41 93 - 44 - 3034=8, 1.8/3023=8...(20) QB ALA 67 - HB2 LYS 68 OK 35 87 - 40 - 3.6/7107=16, 4.9/2988=8...(10) QB ALA 89 - HB3 LYS 90 OK 26 82 - 32 - 3910/4.1=13, 10787/3.0=7...(6) HG2 LYS 94 - HB2 LYS 68 OK 25 92 - 27 - 4214/2.9=3, ~4225=2...(14) HG3 LYS 40 - HB2 LYS 68 OK 24 92 - 26 - 3026/2.9=3, 1819/3.5=2...(12) HG LEU 14 - HB3 LYS 90 OK 14 93 - 15 - 611/3.0=3, 7415/4.1=2...(5) HB3 LEU 27 - HB2 LYS 68 OK 13 99 - 13 - 2991/3.0=1, ~10484=1...(4) HG LEU 14 - HB2 LYS 68 OK 13 100 - 13 - 10399/10259=1...(4) HG2 LYS 39 - HB3 LYS 90 OK 12 92 - 12 - 3034=1, 1704/1.8=1 HG2 LYS 94 - HB3 LYS 90 OK 11 82 - 13 - 10991/4.1=2, ~10310=1 QB ALA 89 - HB2 LYS 68 lone 8 92 - 9 - 3.6/7418=4 QB ALA 67 - HB3 LYS 90 lone 7 76 - 10 - 3.6/7107=4, 4.9/2999=3 HB2 LYS 82 - HB2 LYS 68 lone 7 98 - 7 - QB ALA 25 - HB3 LYS 90 lone 6 82 - 7 - 7415/4.1=1 HB3 LEU 27 - HB3 LYS 90 lone 5 91 - 5 - QB ALA 25 - HB2 LYS 68 lone 4 92 - 4 - HG12 ILE 8 - HB2 LYS 68 lone 4 81 - 4 - HB2 LYS 82 - HB3 LYS 90 lone 3 89 - 4 - 10991/4.1=1 HB3 LEU 2 - HB2 LYS 68 lone 3 73 - 4 - HB3 LEU 2 - HB3 LYS 90 lone 3 63 - 4 - HG3 LYS 40 - HB3 LYS 90 lone 2 82 - 2 - HG12 ILE 8 - HB3 LYS 90 lone 1 70 - 1 - Peak 3004 from cnoeabs.peaks (1.65, 1.84, 32.18 ppm; 2.81 A): 4 out of 24 assignments used, quality = 1.00: HG2 LYS 68 + HB2 LYS 68 OK 89 92 - 97 - 2.9=94, 4.0/2988=7...(27) * HD2 LYS 68 + HB2 LYS 68 OK 81 100 - 81 - 3.5=52, 1.8/3056=8...(34) HD3 LYS 68 + HB2 LYS 68 OK 81 100 - 81 - 3.5=52, 1.8/3056=8...(33) HD2 LYS 39 + HB2 LYS 68 OK 48 100 - 48 - 3045=6, ~1738=4...(20) HD3 LYS 39 - HB2 LYS 68 OK 44 90 - 50 - 1738/1.8=5, 1.8/3045=4...(22) HD2 LYS 68 - HB3 LYS 90 OK 26 93 - 28 - 3.0/3023=4, 3056=4...(9) HD3 LYS 68 - HB3 LYS 90 OK 26 93 - 28 - 3.0/3023=4, 3056=4...(9) HG2 LYS 68 - HB3 LYS 90 OK 24 82 - 30 - 3023=6, 1.8/3034=4...(13) HB2 LYS 40 - HB2 LYS 68 OK 15 98 - 16 - 1788/2.9=2, ~1800=1 HB ILE 76 - HB3 LYS 90 lone 8 86 - 9 - ~9958=2, ~10883=2, 10884/2.8=1 HB3 LEU 6 - HB2 LYS 68 lone 6 99 - 6 - 3.0/10372=1 HB ILE 76 - HB2 LYS 68 lone 6 96 - 6 - HD2 LYS 39 - HB3 LYS 90 lone 5 93 - 6 - HD3 LYS 39 - HB3 LYS 90 lone 5 79 - 6 - HD3 LYS 73 - HB3 LYS 90 lone 4 73 - 6 - HD2 LYS 73 - HB3 LYS 90 lone 4 67 - 6 - HB3 ARG 79 - HB2 LYS 68 lone 2 100 - 2 - HB3 LEU 6 - HB3 LYS 90 lone 2 92 - 2 - HB2 LYS 40 - HB3 LYS 90 lone 2 89 - 2 - HB ILE 52 - HB2 LYS 68 lone 1 65 - 2 - 4.5/6875=1 HD3 LYS 73 - HB2 LYS 68 lone 1 84 - 1 - HB3 ARG 79 - HB3 LYS 90 lone 1 93 - 1 - HD2 LYS 73 - HB2 LYS 68 lone 1 77 - 1 - HB ILE 52 - HB3 LYS 90 lone 1 56 - 2 - 4.5/6875=1 Peak 3005 from cnoeabs.peaks (1.65, 1.84, 32.18 ppm; 2.81 A): 5 out of 24 assignments used, quality = 1.00: HG2 LYS 68 + HB2 LYS 68 OK 91 94 - 97 - 2.9=94, 4.0/2988=7...(28) HD2 LYS 68 + HB2 LYS 68 OK 81 100 - 81 - 3.5=52, 1.8/3056=8...(34) * HD3 LYS 68 + HB2 LYS 68 OK 81 100 - 81 - 3.5=52, 1.8/3056=8...(33) HD2 LYS 39 + HB2 LYS 68 OK 48 100 - 48 - 3045=6, ~1738=4...(20) HD3 LYS 39 + HB2 LYS 68 OK 46 92 - 50 - 1738/1.8=5, 1.8/3045=4...(22) HD3 LYS 68 - HB3 LYS 90 OK 26 93 - 28 - 3.0/3023=4, 3056=4...(9) HD2 LYS 68 - HB3 LYS 90 OK 26 93 - 28 - 3.0/3023=4, 3056=4...(9) HG2 LYS 68 - HB3 LYS 90 OK 25 84 - 30 - 3023=6, 1.8/3034=4...(13) HB2 LYS 40 - HB2 LYS 68 OK 16 99 - 16 - 1788/2.9=2, ~1800=1 HB ILE 76 - HB3 LYS 90 lone 8 88 - 9 - ~9958=2, ~10883=2, 10884/2.8=1 HB ILE 76 - HB2 LYS 68 lone 6 97 - 6 - HB3 LEU 6 - HB2 LYS 68 lone 6 100 - 6 - 3.0/10372=1 HD2 LYS 39 - HB3 LYS 90 lone 5 92 - 6 - HD3 LYS 39 - HB3 LYS 90 lone 5 82 - 6 - HD3 LYS 73 - HB3 LYS 90 lone 4 70 - 6 - HD2 LYS 73 - HB3 LYS 90 lone 4 63 - 6 - HB3 ARG 79 - HB2 LYS 68 lone 2 100 - 2 - HB3 LEU 6 - HB3 LYS 90 lone 2 92 - 2 - HB2 LYS 40 - HB3 LYS 90 lone 2 91 - 2 - HB ILE 52 - HB2 LYS 68 lone 1 61 - 2 - 4.5/6875=1 HD3 LYS 73 - HB2 LYS 68 lone 1 81 - 1 - HB3 ARG 79 - HB3 LYS 90 lone 1 92 - 1 - HD2 LYS 73 - HB2 LYS 68 lone 1 73 - 1 - HB ILE 52 - HB3 LYS 90 lone 1 52 - 2 - 4.5/6875=1 Peak 3006 from cnoeabs.peaks (2.91, 1.84, 32.18 ppm; 3.74 A): 2 out of 20 assignments used, quality = 0.98: HE3 LYS 68 + HB2 LYS 68 OK 87 100 - 87 - 5.0=42, 3.0/3056=9...(55) * HE2 LYS 68 + HB2 LYS 68 OK 87 100 - 87 - 5.0=42, 3.0/3056=9...(53) HE3 LYS 94 - HB2 LYS 68 OK 40 100 - 40 - 3078=4, 3029/2.9=3...(22) HE2 LYS 94 - HB2 LYS 68 OK 39 92 - 43 - 1.8/3078=3, 3029/2.9=3...(22) HE3 LYS 66 - HB2 LYS 68 OK 31 94 - 33 - 3078=3, ~2944=2...(15) HE2 LYS 20 - HB2 LYS 68 OK 30 100 - 30 - 3078=3, 1.8/3067=2...(11) HE3 LYS 20 - HB2 LYS 68 OK 30 100 - 30 - 3067=3, 1.8/3078=2...(11) HE2 LYS 68 - HB3 LYS 90 OK 26 93 - 28 - 3.6/3023=6, 3.6/3034=5...(11) HE3 LYS 68 - HB3 LYS 90 OK 26 93 - 28 - 3.6/3023=6, 3.6/3034=5...(11) HE2 LYS 66 - HB2 LYS 68 OK 25 77 - 33 - 1.8/3078=2, ~2944=2...(17) HE3 LYS 94 - HB3 LYS 90 OK 13 93 - 14 - ~3933=1, 3078=1, ~3929=1...(5) HE2 LYS 94 - HB3 LYS 90 poor 8 82 - 10 - ~3929=1, 1.8/3078=1 HE3 LYS 66 - HB3 LYS 90 lone 6 84 - 7 - HE2 LYS 66 - HB3 LYS 90 lone 5 67 - 7 - HE2 LYS 20 - HB3 LYS 90 lone 3 93 - 3 - HE3 LYS 20 - HB3 LYS 90 lone 3 92 - 3 - HB2 ASN 60 - HB2 LYS 68 lone 1 65 - 1 - HB2 ASN 10 - HB3 LYS 90 lone 1 56 - 1 - HB2 ASN 10 - HB2 LYS 68 lone 1 65 - 1 - HB2 ASN 60 - HB3 LYS 90 lone 0 56 - 1 - Peak 3007 from cnoeabs.peaks (2.91, 1.84, 32.18 ppm; 3.74 A): 2 out of 18 assignments used, quality = 0.98: * HE3 LYS 68 + HB2 LYS 68 OK 87 100 - 87 - 5.0=42, 3.0/3056=9...(55) HE2 LYS 68 + HB2 LYS 68 OK 87 100 - 87 - 5.0=42, 3.0/3056=9...(53) HE3 LYS 94 - HB2 LYS 68 OK 40 100 - 40 - 3078=4, 3029/2.9=3...(22) HE2 LYS 94 - HB2 LYS 68 OK 37 87 - 43 - 1.8/3078=3, 3029/2.9=3...(22) HE3 LYS 66 - HB2 LYS 68 OK 32 97 - 33 - 3078=3, ~2944=2...(15) HE2 LYS 20 - HB2 LYS 68 OK 30 99 - 30 - 3078=3, 1.8/3067=2...(11) HE3 LYS 20 - HB2 LYS 68 OK 30 99 - 30 - 3067=3, 1.8/3078=2...(11) HE2 LYS 66 - HB2 LYS 68 OK 28 84 - 33 - 1.8/3078=2, 2955/1.8=2...(17) HE3 LYS 68 - HB3 LYS 90 OK 26 93 - 28 - 3.6/3023=6, 3.6/3034=5...(11) HE2 LYS 68 - HB3 LYS 90 OK 25 93 - 28 - 3.6/3023=6, 3.6/3034=5...(11) HE3 LYS 94 - HB3 LYS 90 OK 13 92 - 14 - ~3933=1, 3078=1, ~3929=1...(5) HE2 LYS 94 - HB3 LYS 90 lone 7 76 - 10 - ~3929=1, 1.8/3078=1 HE3 LYS 66 - HB3 LYS 90 lone 7 88 - 7 - HE2 LYS 66 - HB3 LYS 90 lone 5 73 - 7 - HE2 LYS 20 - HB3 LYS 90 lone 3 92 - 3 - HE3 LYS 20 - HB3 LYS 90 lone 3 91 - 3 - HB2 ASN 60 - HB2 LYS 68 lone 1 73 - 1 - HB2 ASN 60 - HB3 LYS 90 lone 0 63 - 1 - Peak 3008 from cnoeabs.peaks (7.90, 1.84, 32.18 ppm; 3.76 A): 3 out of 6 assignments used, quality = 0.96: * H GLU 69 + HB2 LYS 68 OK 86 100 - 86 - 4.6=53, 7125/1.8=19...(16) H GLN 72 + HB2 LYS 68 OK 53 98 - 54 - 9557=17, 3020/1.8=7...(14) H ASP 65 + HB2 LYS 68 OK 42 65 - 64 - 3.0/2856=23, ~9500=8...(16) H GLU 69 - HB3 LYS 90 OK 19 93 - 21 - 7124=6, 3.6/2999=5...(4) H GLN 72 - HB3 LYS 90 lone 7 89 - 7 - 9557=2 H ASP 65 - HB3 LYS 90 lone 4 56 - 7 - 3.0/2856=3 Peak 3009 from cnoeabs.peaks (4.31, 1.87, 32.18 ppm; 3.67 A): 6 out of 12 assignments used, quality = 0.91: * HA ASP 65 + HB3 LYS 68 OK 79 100 - 79 - 2856/1.8=29, 2857=20...(20) HA LEU 103 + HB3 LYS 68 OK 21 87 - 24 - 2997/1.8=5, 7118/4.6=4...(8) HA GLU 28 + HB3 LYS 68 OK 20 100 - 20 - 2997/1.8=4, 7100/4.0=4...(6) HA ASP 65 + HB3 LYS 12 OK 13 80 - 17 - 2857=4, 2857/1.8=3, 3.6/7070=3 HA ASP 65 + HB3 LYS 39 OK 12 65 - 19 - 2857=4, 9500/3.6=4...(7) HA ASP 65 + HB2 LYS 12 OK 11 69 - 16 - 2857=4, 2857/1.8=3, 3.6/7070=3 HA GLU 28 - HB3 LYS 12 lone 6 79 - 7 - 3.6/8664=2 HA GLU 28 - HB2 LYS 12 lone 5 68 - 7 - 3.6/8664=2 HA LEU 103 - HB3 LYS 39 lone 4 50 - 9 - 3.6/7665=2, 8949/4.0=1 HA GLU 28 - HB3 LYS 39 lone 4 64 - 7 - 3.6/8664=1 HA LEU 103 - HB3 LYS 12 lone 3 64 - 5 - 3.6/7665=1 HA LEU 103 - HB2 LYS 12 lone 3 53 - 5 - 3.6/7665=1 Peak 3010 from cnoeabs.peaks (8.19, 1.87, 32.18 ppm; 3.51 A): 2 out of 12 assignments used, quality = 0.95: * H LYS 68 + HB3 LYS 68 OK 92 100 - 92 - 4.0=66, 7107/1.8=29...(22) H ASP 36 + HB3 LYS 68 OK 39 100 - 39 - 2998/1.8=7, 3021/2.9=6...(13) H ASP 36 - HB3 LYS 39 OK 33 65 - 50 - ~10560=13, ~10537=9...(11) H LYS 68 - HB3 LYS 39 OK 27 65 - 41 - 7108=7, 7110/3.0=4...(16) H LYS 68 - HB3 LYS 12 OK 23 80 - 28 - 7108=5, 7108/1.8=4...(12) H GLU 43 - HB3 LYS 68 OK 22 97 - 23 - 2998/1.8=4, 3021/2.9=4...(8) H GLU 43 - HB3 LYS 39 OK 22 60 - 36 - 6681/3.0=18, 6687/1.8=7...(7) H LYS 68 - HB2 LYS 12 OK 19 69 - 28 - 7108=5, 7108/1.8=4...(12) H GLU 43 - HB3 LYS 12 lone 5 75 - 6 - 6681/1669=1 H ASP 36 - HB3 LYS 12 lone 4 80 - 6 - H GLU 43 - HB2 LYS 12 lone 4 63 - 6 - 6681/1669=1 H ASP 36 - HB2 LYS 12 lone 4 69 - 5 - Peak 3011 from cnoeabs.peaks (3.81, 1.87, 32.18 ppm; 3.27 A): 1 out of 16 assignments used, quality = 1.00: * HA LYS 68 + HB3 LYS 68 OK 100 100 - 100 - 3.0=100 HA LYS 68 - HB3 LYS 39 OK 32 65 - 49 - 2989=5, 3.0/3001=5...(25) HA ARG 19 - HB3 LYS 68 OK 32 99 - 32 - 2999/1.8=6, 3022/2.9=4...(12) HA LYS 68 - HB3 LYS 12 OK 23 80 - 29 - 2989=3, 2.9/7108=3...(11) HA LYS 68 - HB2 LYS 12 OK 20 69 - 29 - 2989=3, 2989/1.8=3...(13) HA SER 97 - HB3 LYS 68 poor 10 90 - 11 - 2999/1.8=2, 3022/2.9=1...(4) HB3 SER 102 - HB3 LYS 68 lone 8 99 - 8 - 2999/1.8=2, 7123/4.6=1 HA ARG 19 - HB3 LYS 12 lone 6 79 - 8 - HA ARG 19 - HB2 LYS 12 lone 5 67 - 7 - HA ARG 19 - HB3 LYS 39 lone 4 64 - 7 - HA SER 97 - HB3 LYS 12 lone 2 66 - 3 - HA SER 97 - HB2 LYS 12 lone 2 56 - 3 - HA SER 97 - HB3 LYS 39 lone 1 53 - 2 - HB3 SER 102 - HB3 LYS 12 lone 1 77 - 1 - HB3 SER 102 - HB3 LYS 39 lone 1 63 - 1 - HB3 SER 102 - HB2 LYS 12 lone 1 66 - 1 - Peak 3012 from cnoeabs.peaks (1.84, 1.87, 32.18 ppm; 2.40 A): 1 out of 20 assignments used, quality = 1.00: * HB2 LYS 68 + HB3 LYS 68 OK 100 100 - 100 - 1.8=100 HB2 LYS 68 - HB3 LYS 39 OK 26 65 - 39 - 3001=7, 2.9/3024=3...(16) HB3 LYS 90 - HB3 LYS 68 OK 25 99 - 26 - 3001=5, 3023/2.9=3...(13) HB2 LYS 68 - HB3 LYS 12 OK 15 80 - 19 - 3001=4, 3001/1.8=2...(4) HB2 LYS 68 - HB2 LYS 12 OK 13 69 - 19 - 3001=3, 3001/1.8=2...(4) HB2 LYS 53 - HB3 LYS 68 lone 10 100 - 10 - ~2406=1, 3023/2.9=1, 2988/3.0=1 HB3 LYS 90 - HB3 LYS 12 lone 5 79 - 7 - 3001=1 HB3 LEU 57 - HB3 LYS 68 lone 5 81 - 6 - HG2 ARG 46 - HB3 LYS 68 lone 5 84 - 5 - HG2 ARG 46 - HB3 LYS 39 lone 5 48 - 10 - 2091/1.8=2 HB3 LYS 90 - HB2 LYS 12 lone 4 67 - 7 - 3001=1 HB3 LYS 90 - HB3 LYS 39 lone 4 64 - 6 - 3001=1 HB2 LYS 53 - HB3 LYS 12 lone 1 79 - 1 - HB2 LYS 53 - HB2 LYS 12 lone 1 68 - 1 - HG2 ARG 46 - HB3 LYS 12 lone 1 61 - 1 - HB2 LYS 53 - HB3 LYS 39 lone 1 64 - 1 - HG2 ARG 46 - HB2 LYS 12 lone 1 51 - 1 - HB3 LEU 57 - HB3 LYS 39 lone 0 46 - 1 - HB3 LEU 57 - HB3 LYS 12 lone 0 58 - 1 - HB3 LEU 57 - HB2 LYS 12 lone 0 49 - 1 - Peak 3013 from cnoeabs.peaks (1.87, 1.87, 32.18 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LYS 68 + HB3 LYS 68 OK 100 100 - 100 HB3 LYS 12 + HB3 LYS 12 OK 77 77 - 100 HB2 LYS 12 + HB2 LYS 12 OK 63 63 - 100 HB3 LYS 39 + HB3 LYS 39 OK 57 57 - 100 Peak 3014 from cnoeabs.peaks (1.64, 1.87, 32.18 ppm; 2.66 A): 5 out of 44 assignments used, quality = 1.00: * HG2 LYS 68 + HB3 LYS 68 OK 89 100 - 89 - 2.9=79, 3002/1.8=6...(20) HD3 LYS 68 + HB3 LYS 68 OK 70 94 - 75 - 3.5=44, 3056/1.8=6...(33) HD2 LYS 68 + HB3 LYS 68 OK 69 92 - 75 - 3.5=44, 3056/1.8=6...(33) HD3 LYS 39 + HB3 LYS 39 OK 52 65 - 79 - 3.6=40, 1737/1.8=13...(34) HD3 LYS 39 + HB3 LYS 68 OK 48 100 - 48 - 1738=7, 1739/2.9=5...(23) HD2 LYS 39 - HB3 LYS 39 OK 38 50 - 76 - 3.6=40, 1.8/1738=9...(32) HD2 LYS 39 - HB3 LYS 68 OK 37 87 - 43 - 1.8/1738=5, 3056/1.8=3...(20) HG2 LYS 68 - HB3 LYS 39 OK 33 65 - 50 - 3024=6, 3026/3.0=4...(22) HD3 LYS 68 - HB3 LYS 39 OK 26 57 - 46 - 3.0/3024=4, 1687/1.8=3...(23) HD3 LYS 39 - HB3 LYS 12 OK 26 80 - 32 - 1738=5, 1738/1.8=4...(12) HD2 LYS 68 - HB3 LYS 39 OK 25 55 - 46 - 3.0/3024=4, 1687/1.8=3...(23) HD3 LYS 39 - HB2 LYS 12 OK 22 69 - 32 - 1738=5, 1738/1.8=4...(12) HD2 LYS 39 - HB3 LYS 12 OK 17 64 - 28 - 1.8/1738=4, 3.0/1716=3...(11) HG2 LYS 68 - HB3 LYS 12 OK 15 80 - 19 - 3024=3, 3024/1.8=2...(5) HB2 LYS 40 - HB3 LYS 68 OK 15 99 - 15 - 1788/2.9=2, 4.1/6621=1, ~1800=1 HD2 LYS 39 - HB2 LYS 12 OK 15 53 - 28 - 1.8/1738=4, 3.0/1716=3...(11) HG2 LYS 68 - HB2 LYS 12 OK 13 69 - 18 - 3024=2, 3024/1.8=2...(4) HD2 LYS 94 - HB3 LYS 68 OK 13 65 - 20 - ~4245=1, 4234/2.9=1 HB2 LYS 40 - HB3 LYS 39 OK 13 64 - 20 - 1783/4.6=6, 1687/1.8=2...(8) HD3 LYS 68 - HB3 LYS 12 OK 12 71 - 17 - 3.0/3024=2, 3.5/3001=1...(4) HD2 LYS 68 - HB3 LYS 12 OK 11 69 - 17 - 3.0/3024=2, 3.5/3001=1...(4) HB ILE 76 - HB3 LYS 39 OK 11 65 - 18 - 3422/3.0=2, ~8956=2...(6) HD3 LYS 68 - HB2 LYS 12 poor 10 60 - 16 - 3.0/3024=2, 3.5/3001=1, 3057=1 HD2 LYS 68 - HB2 LYS 12 poor 10 58 - 16 - 3.0/3024=2, 3.5/3001=1, 3057=1 HB2 LYS 40 - HB3 LYS 12 lone 7 79 - 9 - 4.1/6621=2 HB2 LYS 40 - HB2 LYS 12 lone 6 67 - 9 - 4.1/6621=2 HB ILE 76 - HB3 LYS 68 lone 6 100 - 6 - HB3 LEU 6 - HB3 LYS 68 lone 5 98 - 5 - HB ILE 76 - HB3 LYS 12 lone 4 80 - 5 - HB ILE 76 - HB2 LYS 12 lone 3 69 - 5 - HB3 LEU 6 - HB3 LYS 39 lone 2 61 - 4 - HD2 LYS 94 - HB3 LYS 12 lone 2 46 - 5 - HD2 LYS 94 - HB3 LYS 39 lone 2 36 - 6 - HD2 LYS 94 - HB2 LYS 12 lone 2 38 - 5 - HB3 ARG 79 - HB3 LYS 68 lone 2 87 - 2 - HB3 LEU 6 - HB3 LYS 12 lone 1 76 - 1 - HB3 LEU 6 - HB2 LYS 12 lone 1 65 - 1 - HG3 LYS 47 - HB3 LYS 68 lone 1 57 - 1 - HB3 ARG 79 - HB3 LYS 12 lone 1 64 - 1 - HG3 LYS 47 - HB3 LYS 12 lone 1 39 - 1 - HB3 ARG 79 - HB2 LYS 12 lone 0 53 - 1 - HG3 LYS 47 - HB2 LYS 12 lone 0 33 - 1 - HB3 ARG 79 - HB3 LYS 39 lone 0 50 - 1 - HG3 LYS 47 - HB3 LYS 39 lone 0 31 - 1 - Peak 3015 from cnoeabs.peaks (1.35, 1.87, 32.18 ppm; 3.23 A): 3 out of 48 assignments used, quality = 1.00: * HG3 LYS 68 + HB3 LYS 68 OK 100 100 - 100 - 2.9=100 HG2 LYS 39 + HB3 LYS 68 OK 68 99 - 69 - 3026/2.9=7, 1.8/1716=7...(40) HG2 LYS 39 + HB3 LYS 39 OK 64 64 - 100 - 3.0=100 HG3 LYS 68 - HB3 LYS 39 OK 44 65 - 67 - 1.8/3024=8, 1684/1.8=7...(37) HG2 LYS 39 - HB3 LYS 12 OK 39 79 - 50 - 1.8/1716=5, 1705=5...(22) HG2 LYS 39 - HB2 LYS 12 OK 33 67 - 50 - 1.8/1716=5, 1705=5...(22) QB ALA 67 - HB3 LYS 68 OK 29 87 - 33 - 2985/4.0=10, 2.9/7087=4...(9) HG3 LYS 40 - HB3 LYS 68 OK 24 92 - 26 - 3026/2.9=3, 1819/3.5=2...(12) HG3 LYS 68 - HB3 LYS 12 OK 23 80 - 29 - 1.8/3024=3, 3035=3...(8) HG2 LYS 94 - HB3 LYS 68 OK 22 92 - 24 - 4214/2.9=2, 3003/1.8=2...(9) HG3 LYS 68 - HB2 LYS 12 OK 20 69 - 29 - 1.8/3024=3, 3035=3...(9) HB3 LEU 27 - HB3 LYS 12 OK 16 77 - 21 - 3.1/10484=2, ~10484=2...(5) HG3 LYS 40 - HB3 LYS 39 OK 15 55 - 28 - 1817/4.6=7, 1684/1.8=3...(10) HB3 LEU 27 - HB3 LYS 68 OK 13 99 - 13 - 3.1/10484=1, 3003/1.8=1 HB3 LEU 27 - HB2 LYS 12 OK 13 66 - 20 - 3.1/10484=2, ~10484=2...(5) HG LEU 14 - HB3 LYS 39 OK 13 65 - 20 - ~10570=3, 1684/1.8=2...(7) QB ALA 67 - HB3 LYS 12 OK 12 64 - 19 - 2.9/7087=2, 10784/1.8=2...(8) HG LEU 14 - HB3 LYS 68 OK 12 100 - 12 - 3026/2.9=1, ~10570=1 QB ALA 67 - HB2 LYS 12 OK 10 53 - 19 - 2.9/7087=2, 10784/1.8=2...(8) HB2 LYS 82 - HB3 LYS 39 poor 10 61 - 16 - 3657/4.9=3, 1684/1.8=2...(5) QB ALA 67 - HB3 LYS 39 poor 9 50 - 18 - 3.6/7108=3, 10784=2...(7) HB3 LEU 27 - HB3 LYS 39 poor 9 63 - 14 - 1684/1.8=2, 1717/3.0=1 HG2 LYS 94 - HB3 LYS 39 poor 8 55 - 14 - 1684/1.8=2, 1717/3.0=1 HB2 LYS 82 - HB3 LYS 68 lone 7 98 - 7 - HG3 LYS 40 - HB3 LYS 12 poor 7 69 - 10 - 4.9/6621=2 HG2 LYS 94 - HB3 LYS 12 lone 6 69 - 9 - HG3 LYS 40 - HB2 LYS 12 poor 6 58 - 10 - 4.9/6621=2 HG2 LYS 94 - HB2 LYS 12 lone 5 58 - 9 - HG LEU 14 - HB3 LYS 12 lone 5 80 - 6 - 617/4.2=3 HB3 LEU 2 - HB3 LYS 39 poor 4 41 - 10 - 1684/1.8=1, ~8956=1 HG LEU 14 - HB2 LYS 12 lone 4 69 - 6 - 617/4.2=3 QB ALA 89 - HB3 LYS 68 lone 4 92 - 4 - QB ALA 25 - HB3 LYS 68 lone 4 92 - 4 - HG12 ILE 8 - HB3 LYS 68 lone 4 81 - 5 - HG12 ILE 8 - HB3 LYS 39 lone 3 46 - 7 - QB ALA 25 - HB3 LYS 12 lone 3 69 - 4 - HB3 LEU 2 - HB3 LYS 68 lone 3 73 - 3 - QB ALA 89 - HB3 LYS 39 lone 3 55 - 5 - QB ALA 25 - HB2 LYS 12 lone 2 58 - 4 - QB ALA 25 - HB3 LYS 39 lone 2 55 - 4 - HB3 LEU 2 - HB3 LYS 12 lone 2 52 - 4 - HB2 LYS 82 - HB3 LYS 12 lone 2 76 - 2 - HB3 LEU 2 - HB2 LYS 12 lone 2 43 - 4 - HB2 LYS 82 - HB2 LYS 12 lone 1 65 - 2 - HG12 ILE 8 - HB3 LYS 12 lone 1 58 - 2 - HG12 ILE 8 - HB2 LYS 12 lone 1 49 - 2 - QB ALA 89 - HB3 LYS 12 lone 1 69 - 1 - QB ALA 89 - HB2 LYS 12 lone 1 58 - 1 - Peak 3016 from cnoeabs.peaks (1.65, 1.87, 32.18 ppm; 2.66 A): 4 out of 48 assignments used, quality = 0.99: HG2 LYS 68 + HB3 LYS 68 OK 81 92 - 89 - 2.9=79, 3005/1.8=6...(20) * HD2 LYS 68 + HB3 LYS 68 OK 75 100 - 75 - 3.5=44, 3056/1.8=7...(33) HD3 LYS 68 + HB3 LYS 68 OK 75 100 - 75 - 3.5=44, 3056/1.8=7...(33) HD2 LYS 39 + HB3 LYS 39 OK 50 65 - 77 - 3.6=40, 1.8/1738=9...(32) HD2 LYS 39 - HB3 LYS 68 OK 44 100 - 44 - 1.8/1738=5, 3045/1.8=4...(20) HD3 LYS 39 - HB3 LYS 68 OK 42 90 - 47 - 1738=5, 1739/2.9=4...(23) HD3 LYS 39 - HB3 LYS 39 OK 41 53 - 77 - 3.6=40, 1737/1.8=11...(34) HD2 LYS 68 - HB3 LYS 39 OK 31 65 - 48 - 3.0/3024=4, 1726/1.8=4...(23) HD3 LYS 68 - HB3 LYS 39 OK 31 65 - 48 - 3.0/3024=4, 1726/1.8=4...(23) HG2 LYS 68 - HB3 LYS 39 OK 26 55 - 48 - 3024=5, 3026/3.0=4...(22) HD2 LYS 39 - HB3 LYS 12 OK 23 80 - 29 - 1.8/1738=4, 3.0/1716=3...(12) HD3 LYS 39 - HB3 LYS 12 OK 20 66 - 30 - 1738=4, 1738/1.8=3...(12) HD2 LYS 39 - HB2 LYS 12 OK 20 69 - 29 - 1.8/1738=4, 3.0/1716=3...(12) HD3 LYS 39 - HB2 LYS 12 OK 17 56 - 30 - 1738=4, 1738/1.8=3...(12) HB2 LYS 40 - HB3 LYS 68 OK 14 98 - 15 - 1788/2.9=2, 4.1/6621=1, ~1800=1 HD2 LYS 68 - HB3 LYS 12 OK 14 80 - 17 - 3.0/3024=2, 3.5/3001=1...(4) HD3 LYS 68 - HB3 LYS 12 OK 14 80 - 17 - 3.0/3024=2, 3.5/3001=1...(4) HG2 LYS 68 - HB3 LYS 12 OK 12 69 - 18 - 3024=2, 3024/1.8=2...(5) HB2 LYS 40 - HB3 LYS 39 OK 12 61 - 20 - 1783/4.6=6, 1686/1.8=2...(8) HD2 LYS 68 - HB2 LYS 12 OK 12 69 - 17 - 3.0/3024=2, 3.5/3001=1, 3057=1 HD3 LYS 68 - HB2 LYS 12 OK 12 69 - 17 - 3.0/3024=2, 3.5/3001=1, 3057=1 HG2 LYS 68 - HB2 LYS 12 OK 10 58 - 18 - 3024=2, 3024/1.8=2...(4) HB ILE 76 - HB3 LYS 39 poor 10 58 - 17 - 3422/3.0=2, ~8956=2...(6) HB2 LYS 40 - HB3 LYS 12 lone 7 76 - 9 - 4.1/6621=2 HB2 LYS 40 - HB2 LYS 12 lone 6 65 - 9 - 4.1/6621=2 HB3 LEU 6 - HB3 LYS 68 lone 5 99 - 5 - HB ILE 76 - HB3 LYS 68 lone 5 96 - 5 - HD3 LYS 73 - HB3 LYS 12 lone 4 61 - 6 - HB ILE 76 - HB3 LYS 12 lone 3 73 - 5 - HD2 LYS 73 - HB3 LYS 12 lone 3 55 - 6 - HD3 LYS 73 - HB2 LYS 12 lone 3 51 - 6 - HB ILE 76 - HB2 LYS 12 lone 3 62 - 5 - HD2 LYS 73 - HB2 LYS 12 lone 3 46 - 6 - HB3 LEU 6 - HB3 LYS 39 lone 3 64 - 4 - HB3 ARG 79 - HB3 LYS 68 lone 2 100 - 2 - HB ILE 52 - HB3 LYS 39 lone 1 36 - 4 - HB3 LEU 6 - HB3 LYS 12 lone 1 79 - 1 - HD3 LYS 73 - HB3 LYS 68 lone 1 84 - 1 - HB3 LEU 6 - HB2 LYS 12 lone 1 67 - 1 - HD2 LYS 73 - HB3 LYS 68 lone 1 77 - 1 - HB3 ARG 79 - HB3 LYS 12 lone 1 80 - 1 - HB ILE 52 - HB3 LYS 12 lone 1 46 - 2 - HB3 ARG 79 - HB2 LYS 12 lone 1 69 - 1 - HD3 LYS 73 - HB3 LYS 39 lone 1 48 - 1 - HB3 ARG 79 - HB3 LYS 39 lone 1 65 - 1 - HB ILE 52 - HB2 LYS 12 lone 1 38 - 2 - HB ILE 52 - HB3 LYS 68 lone 1 65 - 1 - HD2 LYS 73 - HB3 LYS 39 lone 1 43 - 1 - Peak 3017 from cnoeabs.peaks (1.65, 1.87, 32.18 ppm; 2.66 A): 4 out of 48 assignments used, quality = 0.99: HG2 LYS 68 + HB3 LYS 68 OK 83 94 - 89 - 2.9=79, 3005/1.8=6...(20) HD2 LYS 68 + HB3 LYS 68 OK 75 100 - 75 - 3.5=44, 3056/1.8=7...(33) * HD3 LYS 68 + HB3 LYS 68 OK 75 100 - 75 - 3.5=44, 3056/1.8=7...(33) HD2 LYS 39 + HB3 LYS 39 OK 49 64 - 77 - 3.6=40, 1.8/1738=9...(32) HD2 LYS 39 - HB3 LYS 68 OK 43 100 - 44 - 1.8/1738=5, 3045/1.8=4...(20) HD3 LYS 39 - HB3 LYS 68 OK 43 92 - 47 - 1738=6, 1739/2.9=4...(23) HD3 LYS 39 - HB3 LYS 39 OK 42 55 - 77 - 3.6=40, 1737/1.8=11...(34) HD2 LYS 68 - HB3 LYS 39 OK 31 65 - 48 - 3.0/3024=4, 1726/1.8=4...(23) HD3 LYS 68 - HB3 LYS 39 OK 31 65 - 48 - 3.0/3024=4, 1726/1.8=4...(23) HG2 LYS 68 - HB3 LYS 39 OK 27 57 - 48 - 3024=6, 3026/3.0=4...(22) HD2 LYS 39 - HB3 LYS 12 OK 23 79 - 29 - 1.8/1738=4, 3.0/1716=3...(12) HD3 LYS 39 - HB3 LYS 12 OK 21 69 - 31 - 1738=4, 1738/1.8=3...(12) HD2 LYS 39 - HB2 LYS 12 OK 19 68 - 29 - 1.8/1738=4, 3.0/1716=3...(12) HD3 LYS 39 - HB2 LYS 12 OK 18 58 - 31 - 1738=4, 1738/1.8=3...(12) HB2 LYS 40 - HB3 LYS 68 OK 15 99 - 15 - 1788/2.9=2, 4.1/6621=1, ~1800=1 HD3 LYS 68 - HB3 LYS 12 OK 14 80 - 17 - 3.0/3024=2, 3.5/3001=1...(4) HD2 LYS 68 - HB3 LYS 12 OK 14 80 - 17 - 3.0/3024=2, 3.5/3001=1...(4) HG2 LYS 68 - HB3 LYS 12 OK 13 71 - 18 - 3024=2, 3024/1.8=2...(5) HB2 LYS 40 - HB3 LYS 39 OK 12 63 - 20 - 1783/4.6=6, 1686/1.8=2...(8) HD3 LYS 68 - HB2 LYS 12 OK 12 69 - 17 - 3.0/3024=2, 3.5/3001=1, 3057=1 HD2 LYS 68 - HB2 LYS 12 OK 12 69 - 17 - 3.0/3024=2, 3.5/3001=1, 3057=1 HG2 LYS 68 - HB2 LYS 12 OK 11 60 - 18 - 3024=2, 3024/1.8=2...(4) HB ILE 76 - HB3 LYS 39 OK 10 60 - 17 - 3422/3.0=2, ~8956=2...(6) HB2 LYS 40 - HB3 LYS 12 lone 7 77 - 9 - 4.1/6621=2 HB2 LYS 40 - HB2 LYS 12 lone 6 66 - 9 - 4.1/6621=2 HB3 LEU 6 - HB3 LYS 68 lone 5 100 - 5 - HB ILE 76 - HB3 LYS 68 lone 5 97 - 5 - HD3 LYS 73 - HB3 LYS 12 lone 4 58 - 6 - HB ILE 76 - HB3 LYS 12 lone 4 75 - 5 - HD2 LYS 73 - HB3 LYS 12 lone 3 52 - 6 - HB ILE 76 - HB2 LYS 12 lone 3 63 - 5 - HD3 LYS 73 - HB2 LYS 12 lone 3 49 - 6 - HD2 LYS 73 - HB2 LYS 12 lone 3 43 - 6 - HB3 LEU 6 - HB3 LYS 39 lone 3 64 - 4 - HB3 ARG 79 - HB3 LYS 68 lone 2 100 - 2 - HB ILE 52 - HB3 LYS 39 lone 1 33 - 4 - HB3 LEU 6 - HB3 LYS 12 lone 1 79 - 1 - HB3 LEU 6 - HB2 LYS 12 lone 1 68 - 1 - HD3 LYS 73 - HB3 LYS 68 lone 1 81 - 1 - HD2 LYS 73 - HB3 LYS 68 lone 1 73 - 1 - HB3 ARG 79 - HB3 LYS 12 lone 1 79 - 1 - HB ILE 52 - HB3 LYS 12 lone 1 43 - 2 - HB3 ARG 79 - HB2 LYS 12 lone 1 68 - 1 - HB3 ARG 79 - HB3 LYS 39 lone 1 64 - 1 - HD3 LYS 73 - HB3 LYS 39 lone 1 46 - 1 - HB ILE 52 - HB2 LYS 12 lone 1 35 - 2 - HD2 LYS 73 - HB3 LYS 39 lone 1 41 - 1 - HB ILE 52 - HB3 LYS 68 lone 1 61 - 1 - Peak 3018 from cnoeabs.peaks (2.91, 1.87, 32.18 ppm; 3.64 A): 2 out of 40 assignments used, quality = 0.97: HE3 LYS 68 + HB3 LYS 68 OK 84 100 - 84 - 5.0=39, 3078/1.8=8...(49) * HE2 LYS 68 + HB3 LYS 68 OK 83 100 - 83 - 5.0=39, 3078/1.8=7...(47) HE3 LYS 94 - HB3 LYS 68 OK 38 100 - 38 - 3078/1.8=3, 3029/2.9=3...(18) HE2 LYS 94 - HB3 LYS 68 OK 37 92 - 40 - 3006/1.8=3, 3029/2.9=3...(18) HE3 LYS 66 - HB3 LYS 12 OK 31 71 - 45 - 2.9/2933=5, 2.9/2944=5...(19) HE3 LYS 66 - HB3 LYS 68 OK 30 94 - 32 - 2.9/2944=3, 2.9/2933=2...(15) HE3 LYS 68 - HB3 LYS 39 OK 29 65 - 46 - 3.6/3024=6, 3.6/3035=4...(18) HE2 LYS 68 - HB3 LYS 39 OK 29 65 - 45 - 3.6/3024=6, 3.6/3035=4...(19) HE3 LYS 20 - HB3 LYS 68 OK 28 100 - 28 - 3006/1.8=2, 3029/2.9=2...(13) HE2 LYS 20 - HB3 LYS 68 OK 28 100 - 28 - 3006/1.8=2, 3029/2.9=2...(13) HE3 LYS 66 - HB2 LYS 12 OK 27 60 - 45 - 2.9/2933=5, 2.9/2944=5...(19) HE2 LYS 66 - HB3 LYS 68 OK 26 77 - 34 - 2.9/2944=3, 2.9/2933=2...(18) HE2 LYS 66 - HB3 LYS 12 OK 25 55 - 45 - 2.9/2933=5, 2.9/2944=5...(19) HE2 LYS 66 - HB2 LYS 12 OK 21 46 - 45 - 2.9/2933=5, 2.9/2944=5...(19) HE3 LYS 68 - HB3 LYS 12 OK 16 80 - 20 - 3.6/3024=3, 3.6/3035=2...(6) HE2 LYS 68 - HB3 LYS 12 OK 16 80 - 19 - 3.6/3024=3, 3.6/3035=2...(5) HE3 LYS 68 - HB2 LYS 12 OK 13 69 - 19 - 3.6/3024=2, 3.6/3035=2...(5) HE2 LYS 68 - HB2 LYS 12 OK 13 69 - 19 - 3.6/3024=2, 3.6/3035=2...(5) HE3 LYS 94 - HB3 LYS 12 lone 6 80 - 8 - HE3 LYS 66 - HB3 LYS 39 lone 5 57 - 9 - 2.9/2933=1 HE3 LYS 94 - HB2 LYS 12 lone 5 69 - 8 - HE2 LYS 94 - HB3 LYS 12 lone 5 69 - 8 - HE3 LYS 94 - HB3 LYS 39 lone 5 65 - 8 - HE2 LYS 94 - HB3 LYS 39 lone 5 55 - 8 - HE2 LYS 94 - HB2 LYS 12 lone 4 58 - 8 - HE2 LYS 66 - HB3 LYS 39 lone 3 43 - 8 - 2.9/2933=1 HE2 LYS 20 - HB3 LYS 12 lone 2 80 - 2 - HE3 LYS 20 - HB3 LYS 12 lone 2 79 - 2 - HE2 LYS 20 - HB3 LYS 39 lone 2 65 - 3 - HE3 LYS 20 - HB3 LYS 39 lone 2 64 - 3 - HE2 LYS 20 - HB2 LYS 12 lone 2 69 - 2 - HE3 LYS 20 - HB2 LYS 12 lone 2 68 - 2 - HB2 ASN 60 - HB3 LYS 68 lone 1 65 - 1 - HB2 ASN 60 - HB3 LYS 12 lone 1 46 - 1 - HB2 ASN 10 - HB3 LYS 68 lone 1 65 - 1 - HB2 ASN 60 - HB2 LYS 12 lone 1 38 - 1 - HB2 ASN 60 - HB3 LYS 39 lone 0 36 - 1 - HB2 ASN 10 - HB3 LYS 12 lone 0 46 - 1 - HB2 ASN 10 - HB2 LYS 12 lone 0 38 - 0 - HB2 ASN 10 - HB3 LYS 39 lone 0 36 - 1 - Peak 3019 from cnoeabs.peaks (2.91, 1.87, 32.18 ppm; 3.64 A): 2 out of 36 assignments used, quality = 0.97: * HE3 LYS 68 + HB3 LYS 68 OK 84 100 - 84 - 5.0=39, 3078/1.8=8...(49) HE2 LYS 68 + HB3 LYS 68 OK 83 100 - 83 - 5.0=39, 3078/1.8=8...(47) HE3 LYS 94 - HB3 LYS 68 OK 38 100 - 38 - 3078/1.8=3, 3029/2.9=3...(18) HE2 LYS 94 - HB3 LYS 68 OK 35 87 - 40 - 3006/1.8=3, 3029/2.9=3...(18) HE3 LYS 66 - HB3 LYS 12 OK 33 75 - 45 - 2.9/2933=5, 2.9/2944=5...(19) HE3 LYS 66 - HB3 LYS 68 OK 31 97 - 32 - 2.9/2944=3, 2.9/2933=2...(15) HE3 LYS 68 - HB3 LYS 39 OK 30 65 - 46 - 3.6/3024=6, 3.6/3035=4...(18) HE2 LYS 68 - HB3 LYS 39 OK 29 65 - 45 - 3.6/3024=6, 3.6/3035=4...(19) HE2 LYS 66 - HB3 LYS 68 OK 29 84 - 35 - 2.9/2944=3, 2.9/2933=2...(18) HE3 LYS 66 - HB2 LYS 12 OK 29 63 - 45 - 2.9/2933=5, 2.9/2944=5...(19) HE2 LYS 20 - HB3 LYS 68 OK 28 99 - 28 - 3006/1.8=2, 3029/2.9=2...(13) HE3 LYS 20 - HB3 LYS 68 OK 28 99 - 28 - 3006/1.8=2, 3029/2.9=2...(13) HE2 LYS 66 - HB3 LYS 12 OK 28 61 - 46 - 2.9/2933=5, 2.9/2944=5...(19) HE2 LYS 66 - HB2 LYS 12 OK 23 51 - 46 - 2.9/2933=5, 2.9/2944=5...(19) HE3 LYS 68 - HB3 LYS 12 OK 16 80 - 20 - 3.6/3024=3, 3.6/3035=2...(6) HE2 LYS 68 - HB3 LYS 12 OK 16 80 - 19 - 3.6/3024=3, 3.6/3035=2...(5) HE3 LYS 68 - HB2 LYS 12 OK 13 69 - 19 - 3.6/3024=2, 3.6/3035=2...(5) HE2 LYS 68 - HB2 LYS 12 OK 13 69 - 19 - 3.6/3024=2, 3.6/3035=2...(5) HE3 LYS 94 - HB3 LYS 12 lone 6 79 - 8 - HE3 LYS 66 - HB3 LYS 39 lone 6 60 - 9 - 2.9/2933=1 HE3 LYS 94 - HB2 LYS 12 lone 5 68 - 8 - HE3 LYS 94 - HB3 LYS 39 lone 5 64 - 8 - HE2 LYS 94 - HB3 LYS 12 lone 5 64 - 8 - HE2 LYS 94 - HB3 LYS 39 lone 4 50 - 8 - HE2 LYS 94 - HB2 LYS 12 lone 4 53 - 7 - HE2 LYS 66 - HB3 LYS 39 lone 4 48 - 8 - 2.9/2933=1 HE2 LYS 20 - HB3 LYS 12 lone 2 79 - 2 - HE3 LYS 20 - HB3 LYS 12 lone 2 77 - 2 - HE2 LYS 20 - HB3 LYS 39 lone 2 64 - 3 - HE2 LYS 20 - HB2 LYS 12 lone 2 67 - 2 - HE3 LYS 20 - HB3 LYS 39 lone 2 63 - 3 - HE3 LYS 20 - HB2 LYS 12 lone 2 66 - 2 - HB2 ASN 60 - HB3 LYS 68 lone 1 73 - 1 - HB2 ASN 60 - HB3 LYS 12 lone 1 52 - 1 - HB2 ASN 60 - HB2 LYS 12 lone 1 43 - 1 - HB2 ASN 60 - HB3 LYS 39 lone 0 41 - 1 - Peak 3020 from cnoeabs.peaks (7.90, 1.87, 32.18 ppm; 3.78 A): 3 out of 12 assignments used, quality = 0.97: * H GLU 69 + HB3 LYS 68 OK 88 100 - 88 - 4.6=54, 7124/1.8=30...(17) H GLN 72 + HB3 LYS 68 OK 53 98 - 54 - 9557/1.8=16, 2996/3.0=7...(15) H ASP 65 + HB3 LYS 68 OK 43 65 - 65 - ~2856=14, 3.0/3009=13...(16) H GLU 69 - HB3 LYS 39 OK 20 65 - 30 - 7125=6, 7127/3.0=4...(10) H GLU 69 - HB3 LYS 12 OK 19 80 - 23 - 7125=4, 7125/1.8=4...(8) H GLU 69 - HB2 LYS 12 OK 16 69 - 22 - 7125=4, 7125/1.8=4...(8) H GLN 72 - HB3 LYS 12 poor 9 76 - 12 - 10827/4.2=2, 7169/3.0=2 H GLN 72 - HB2 LYS 12 poor 8 65 - 12 - 10827/4.2=2, 7169/3.0=2 H GLN 72 - HB3 LYS 39 poor 7 61 - 12 - 10827/4.0=2, 9556/3.6=1 H ASP 65 - HB3 LYS 12 poor 5 46 - 11 - 3.0/2857=2, 4.6/7070=2...(4) H ASP 65 - HB2 LYS 12 poor 4 38 - 11 - 3.0/2857=2, 4.6/7070=2...(4) H ASP 65 - HB3 LYS 39 poor 4 36 - 12 - 3.0/2857=3, 4.6/7070=1 Peak 3021 from cnoeabs.peaks (8.19, 1.64, 25.26 ppm; 3.94 A): 2 out of 3 assignments used, quality = 0.96: * H LYS 68 + HG2 LYS 68 OK 93 100 - 93 - 4.6=64, 7107/2.9=26...(25) H ASP 36 + HG2 LYS 68 OK 43 100 - 44 - 8778/2.9=7, 2998/2.9=6...(13) H GLU 43 - HG2 LYS 68 OK 25 97 - 26 - 3032/1.8=4, 2998/2.9=4...(8) Peak 3022 from cnoeabs.peaks (3.81, 1.64, 25.26 ppm; 4.02 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 68 + HG2 LYS 68 OK 100 100 - 100 - 4.0=100 HA ARG 19 - HG2 LYS 68 OK 30 99 - 30 - 3033/1.8=6, 2999/2.9=6...(7) HA SER 97 - HG2 LYS 68 OK 11 90 - 12 - 3033/1.8=3, 2999/2.9=2...(4) HB3 SER 102 - HG2 LYS 68 lone 9 99 - 9 - 3033/1.8=2, 2999/2.9=2...(4) Peak 3023 from cnoeabs.peaks (1.84, 1.64, 25.26 ppm; 3.17 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 68 + HG2 LYS 68 OK 100 100 - 100 - 2.9=100 HB3 LYS 90 - HG2 LYS 68 OK 34 99 - 35 - 3034/1.8=6, 3012/2.9=4...(16) HB2 LYS 53 - HG2 LYS 68 OK 14 100 - 14 - 3034/1.8=2, ~2406=2...(5) HB3 LEU 57 - HG2 LYS 68 poor 9 81 - 11 - 3034/1.8=2 HG2 ARG 46 - HG2 LYS 68 lone 7 84 - 8 - 3034/1.8=1 Peak 3024 from cnoeabs.peaks (1.87, 1.64, 25.26 ppm; 3.27 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LYS 68 + HG2 LYS 68 OK 100 100 - 100 - 2.9=100 HB3 LYS 39 + HG2 LYS 68 OK 62 94 - 66 - 3.0/3026=7, 1.8/1687=5...(37) HB3 LYS 12 - HG2 LYS 68 OK 25 99 - 26 - 3001/2.9=2, 3035/1.8=2...(7) HB2 LYS 12 - HG2 LYS 68 OK 25 97 - 25 - 3001/2.9=2, 3035/1.8=2...(7) HB3 LYS 66 - HG2 LYS 68 OK 19 92 - 20 - 7108/4.6=2, 2906/3.6=2...(8) HB VAL 5 - HG2 LYS 68 OK 15 92 - 16 - 2.1/10197=2, 10368/4.0=2...(8) HB3 GLU 104 - HG2 LYS 68 lone 7 100 - 7 - HB VAL 54 - HG2 LYS 68 lone 7 81 - 8 - 2.1/10655=1 HB2 LYS 20 - HG2 LYS 68 lone 5 65 - 8 - Peak 3025 from cnoeabs.peaks (1.64, 1.64, 25.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 68 + HG2 LYS 68 OK 100 100 - 100 Peak 3026 from cnoeabs.peaks (1.35, 1.64, 25.26 ppm; 2.74 A): 2 out of 12 assignments used, quality = 1.00: * HG3 LYS 68 + HG2 LYS 68 OK 100 100 - 100 - 1.8=100 HG2 LYS 39 + HG2 LYS 68 OK 53 99 - 54 - 1.8/1720=5, 1709=4...(24) HG3 LYS 40 - HG2 LYS 68 OK 23 92 - 25 - 1.8/1808=3, 1819=3...(10) HG2 LYS 94 - HG2 LYS 68 OK 17 92 - 19 - ~4223=1, 3.9/3029=1...(10) QB ALA 67 - HG2 LYS 68 OK 17 87 - 20 - 3.6/3021=7, 10784/2.9=2...(7) HG LEU 14 - HG2 LYS 68 lone 10 100 - 10 - ~10570=1, 10399/10256=1 HB3 LEU 27 - HG2 LYS 68 lone 7 99 - 7 - HB2 LYS 82 - HG2 LYS 68 lone 6 98 - 6 - 9756/12320=1 QB ALA 25 - HG2 LYS 68 lone 2 92 - 3 - QB ALA 89 - HG2 LYS 68 lone 2 92 - 3 - HG12 ILE 8 - HG2 LYS 68 lone 2 81 - 3 - HB3 LEU 2 - HG2 LYS 68 lone 2 73 - 2 - Peak 3027 from cnoeabs.peaks (1.65, 1.64, 25.26 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: HG2 LYS 68 + HG2 LYS 68 OK 92 92 - 100 Reference assignment not found: HD2 LYS 68 - HG2 LYS 68 Peak 3028 from cnoeabs.peaks (1.65, 1.64, 25.26 ppm; diagonal): 1 out of 1 assignment used, quality = 0.94: HG2 LYS 68 + HG2 LYS 68 OK 94 94 - 100 Reference assignment not found: HD3 LYS 68 - HG2 LYS 68 Peak 3029 from cnoeabs.peaks (2.91, 1.64, 25.26 ppm; 3.90 A): 2 out of 10 assignments used, quality = 1.00: * HE2 LYS 68 + HG2 LYS 68 OK 100 100 - 100 - 3.6=100 HE3 LYS 68 + HG2 LYS 68 OK 100 100 - 100 - 3.6=100 HE3 LYS 94 - HG2 LYS 68 OK 42 100 - 42 - 3040/1.8=3, 3078/2.9=3...(21) HE2 LYS 94 - HG2 LYS 68 OK 41 92 - 45 - 3040/1.8=3, 3006/2.9=3...(23) HE3 LYS 20 - HG2 LYS 68 OK 29 100 - 29 - 3040/1.8=2, 3006/2.9=2...(9) HE2 LYS 20 - HG2 LYS 68 OK 29 100 - 29 - 3040/1.8=2, 3006/2.9=2...(9) HE3 LYS 66 - HG2 LYS 68 OK 27 94 - 29 - 3041/1.8=2, 3007/2.9=2...(12) HE2 LYS 66 - HG2 LYS 68 OK 24 77 - 31 - 3041/1.8=2, 3007/2.9=2...(13) HB2 ASN 60 - HG2 LYS 68 lone 1 65 - 2 - HB2 ASN 10 - HG2 LYS 68 lone 1 65 - 1 - Peak 3030 from cnoeabs.peaks (2.91, 1.64, 25.26 ppm; 3.90 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 68 + HG2 LYS 68 OK 100 100 - 100 - 3.6=100 HE2 LYS 68 + HG2 LYS 68 OK 100 100 - 100 - 3.6=100 HE3 LYS 94 - HG2 LYS 68 OK 42 100 - 42 - 3041/1.8=3, 3078/2.9=3...(21) HE2 LYS 94 - HG2 LYS 68 OK 39 87 - 45 - 3040/1.8=3, 3006/2.9=3...(23) HE2 LYS 20 - HG2 LYS 68 OK 29 99 - 29 - 3040/1.8=2, 3006/2.9=2...(9) HE3 LYS 20 - HG2 LYS 68 OK 29 99 - 29 - 3040/1.8=2, 3006/2.9=2...(9) HE3 LYS 66 - HG2 LYS 68 OK 28 97 - 29 - 3041/1.8=2, 3007/2.9=2...(12) HE2 LYS 66 - HG2 LYS 68 OK 26 84 - 31 - 3041/1.8=2, 3007/2.9=2...(13) HB2 ASN 60 - HG2 LYS 68 lone 1 73 - 2 - Peak 3031 from cnoeabs.peaks (7.90, 1.64, 25.26 ppm; 5.04 A): 3 out of 3 assignments used, quality = 0.99: * H GLU 69 + HG2 LYS 68 OK 90 100 - 90 - 7124/2.9=32, 7122/4.6=26...(18) H GLN 72 + HG2 LYS 68 OK 76 98 - 77 - 9557/2.9=22...(17) H ASP 65 + HG2 LYS 68 OK 55 65 - 84 - ~2856=19, 4.9/12320=17...(20) Peak 3032 from cnoeabs.peaks (8.19, 1.35, 25.26 ppm; 4.13 A): 2 out of 6 assignments used, quality = 0.98: * H LYS 68 + HG3 LYS 68 OK 96 100 - 96 - 4.6=74, 7107/2.9=27...(24) H ASP 36 + HG3 LYS 68 OK 47 100 - 47 - 3021/1.8=11, 8778/2.9=8...(12) H ASP 36 - HG2 LYS 39 OK 41 61 - 68 - ~10565=14, ~10560=13...(15) H LYS 68 - HG2 LYS 39 OK 35 61 - 57 - 7110=7, 2.9/3033=7...(23) H GLU 43 - HG3 LYS 68 OK 29 97 - 30 - 3021/1.8=6, 2998/2.9=4...(8) H GLU 43 - HG2 LYS 39 OK 25 56 - 46 - 6681/3.9=21, 6687/3.0=7...(11) Peak 3033 from cnoeabs.peaks (3.81, 1.35, 25.26 ppm; 3.66 A): 1 out of 8 assignments used, quality = 0.96: * HA LYS 68 + HG3 LYS 68 OK 96 100 - 96 - 4.0=79, 2988/2.9=18...(36) HA LYS 68 - HG2 LYS 39 OK 37 61 - 61 - 2991=7, 787/1.8=7...(31) HA ARG 19 - HG3 LYS 68 OK 27 99 - 27 - 3022/1.8=6, 2999/2.9=5...(7) HA SER 97 - HG3 LYS 68 OK 11 90 - 12 - 3022/1.8=2, 10069=2...(6) HB3 SER 102 - HG3 LYS 68 lone 8 99 - 7 - 3022/1.8=2, 2999/2.9=1 HA ARG 19 - HG2 LYS 39 lone 5 59 - 8 - 787/1.8=1 HA SER 97 - HG2 LYS 39 lone 2 49 - 4 - HB3 SER 102 - HG2 LYS 39 lone 1 58 - 2 - Peak 3034 from cnoeabs.peaks (1.84, 1.35, 25.26 ppm; 3.12 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LYS 68 + HG3 LYS 68 OK 100 100 - 100 - 2.9=100 HB2 LYS 68 - HG2 LYS 39 OK 38 61 - 62 - 2.9/3026=6, 3003=6...(32) HB3 LYS 90 - HG3 LYS 68 OK 35 99 - 36 - 3023/1.8=7, 3003=4...(17) HB2 LYS 53 - HG3 LYS 68 OK 14 100 - 14 - 3023/1.8=3, ~2406=1...(5) HB3 LEU 57 - HG3 LYS 68 poor 9 81 - 12 - 3023/1.8=2 HG2 ARG 46 - HG2 LYS 39 poor 8 44 - 17 - 2091/3.0=2, ~12073=2...(6) HG2 ARG 46 - HG3 LYS 68 lone 7 84 - 8 - 3023/1.8=2 HB3 LYS 90 - HG2 LYS 39 lone 6 59 - 10 - 3003=1 HB3 LEU 57 - HG2 LYS 39 lone 1 42 - 3 - HB2 LYS 53 - HG2 LYS 39 lone 1 60 - 2 - Peak 3035 from cnoeabs.peaks (1.87, 1.35, 25.26 ppm; 3.18 A): 3 out of 18 assignments used, quality = 1.00: * HB3 LYS 68 + HG3 LYS 68 OK 100 100 - 100 - 2.9=100 HB3 LYS 39 + HG3 LYS 68 OK 60 94 - 64 - 3024/1.8=8, 1.8/1684=7...(34) HB3 LYS 39 + HG2 LYS 39 OK 52 52 - 100 - 3.0=100 HB3 LYS 68 - HG2 LYS 39 OK 40 61 - 67 - 2.9/3026=6, 1716/1.8=6...(37) HB3 LYS 12 - HG2 LYS 39 OK 26 58 - 45 - 1716/1.8=5, 1683/3.0=4...(20) HB3 LYS 12 - HG3 LYS 68 OK 26 99 - 26 - 3024/1.8=3, 3001/2.9=2...(8) HB2 LYS 12 - HG2 LYS 39 OK 25 56 - 45 - 1716/1.8=5, 1683/3.0=4...(20) HB2 LYS 12 - HG3 LYS 68 OK 25 97 - 26 - 3024/1.8=3, 3001/2.9=2...(9) HB3 LYS 66 - HG3 LYS 68 OK 20 92 - 22 - 3024/1.8=2, 7108/4.6=2...(10) HB VAL 5 - HG3 LYS 68 OK 13 92 - 15 - 3024/1.8=2, 10368/4.0=2...(5) HB3 GLU 104 - HG2 LYS 39 OK 11 61 - 18 - 4530/3.0=3, 1716/1.8=2...(7) HB VAL 5 - HG2 LYS 39 poor 7 51 - 14 - 10193/1.8=2, ~10192=1 HB3 GLU 104 - HG3 LYS 68 lone 7 100 - 7 - HB VAL 54 - HG3 LYS 68 lone 5 81 - 6 - HB2 LYS 20 - HG3 LYS 68 lone 5 65 - 7 - HB3 LYS 66 - HG2 LYS 39 lone 5 51 - 9 - HB VAL 54 - HG2 LYS 39 lone 2 42 - 4 - ~10568=2 HB2 LYS 20 - HG2 LYS 39 lone 0 33 - 1 - Peak 3036 from cnoeabs.peaks (1.64, 1.35, 25.26 ppm; 2.51 A): 4 out of 22 assignments used, quality = 1.00: * HG2 LYS 68 + HG3 LYS 68 OK 100 100 - 100 - 1.8=100 HD3 LYS 68 + HG3 LYS 68 OK 71 94 - 76 - 3.0=61, 1.8/3059=4...(15) HD2 LYS 68 + HG3 LYS 68 OK 69 92 - 76 - 3.0=61, 1.8/3059=4...(15) HD3 LYS 39 + HG2 LYS 39 OK 52 61 - 86 - 3.0=61, 1740/1.8=12...(28) HD3 LYS 39 - HG3 LYS 68 OK 42 100 - 42 - 1739=9, 3.0/1717=4...(14) HD2 LYS 39 - HG2 LYS 39 OK 39 47 - 83 - 3.0=61, 1.8/1739=12...(27) HD2 LYS 39 - HG3 LYS 68 OK 33 87 - 38 - 1.8/1739=6, 3.0/1717=4...(13) HG2 LYS 68 - HG2 LYS 39 OK 28 61 - 47 - 3026=8, 1720/1.8=4...(17) HD3 LYS 68 - HG2 LYS 39 OK 22 52 - 43 - 3.0/3026=4, 1720/1.8=4...(17) HD2 LYS 68 - HG2 LYS 39 OK 22 51 - 43 - 3.0/3026=4, 1720/1.8=4...(18) HB2 LYS 40 - HG3 LYS 68 OK 17 99 - 17 - 1.8/1800=2, 2.9/1811=2...(6) HD2 LYS 94 - HG3 LYS 68 OK 14 65 - 21 - 1.8/4245=2, 4234=1...(6) HB2 LYS 40 - HG2 LYS 39 OK 11 59 - 19 - 4.1/6622=2, 3.0/1773=2...(7) HB ILE 76 - HG2 LYS 39 OK 10 60 - 17 - 3422/1.8=3, ~3430=1...(4) HB3 LEU 6 - HG3 LYS 68 lone 5 98 - 5 - HB ILE 76 - HG3 LYS 68 lone 5 100 - 4 - HD2 LYS 94 - HG2 LYS 39 lone 3 33 - 9 - HB3 LEU 6 - HG2 LYS 39 lone 2 57 - 4 - HB3 ARG 79 - HG3 LYS 68 lone 2 87 - 2 - HG3 LYS 47 - HG3 LYS 68 lone 1 57 - 1 - HB3 ARG 79 - HG2 LYS 39 lone 1 47 - 1 - HG3 LYS 47 - HG2 LYS 39 lone 0 28 - 1 - Peak 3037 from cnoeabs.peaks (1.35, 1.35, 25.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 68 + HG3 LYS 68 OK 100 100 - 100 HG2 LYS 39 + HG2 LYS 39 OK 59 59 - 100 Peak 3038 from cnoeabs.peaks (1.65, 1.35, 25.26 ppm; 2.51 A): 4 out of 24 assignments used, quality = 1.00: HG2 LYS 68 + HG3 LYS 68 OK 92 92 - 100 - 1.8=100 * HD2 LYS 68 + HG3 LYS 68 OK 76 100 - 76 - 3.0=61, 3056/2.9=4...(15) HD3 LYS 68 + HG3 LYS 68 OK 76 100 - 76 - 3.0=61, 3056/2.9=4...(15) HD2 LYS 39 + HG2 LYS 39 OK 51 60 - 84 - 3.0=61, 1.8/1739=12...(27) HD3 LYS 39 - HG2 LYS 39 OK 41 49 - 84 - 3.0=61, 1740/1.8=10...(28) HD2 LYS 39 - HG3 LYS 68 OK 38 100 - 39 - 1.8/1739=6, 3.0/1717=4...(13) HD3 LYS 39 - HG3 LYS 68 OK 36 90 - 40 - 1739=7, 3.0/1717=4...(13) HD2 LYS 68 - HG2 LYS 39 OK 27 61 - 45 - 1719/1.8=4, 3.0/3026=4...(18) HD3 LYS 68 - HG2 LYS 39 OK 27 61 - 45 - 1719/1.8=4, 3.0/3026=4...(18) HG2 LYS 68 - HG2 LYS 39 OK 23 51 - 45 - 3026=7, 1719/1.8=3...(16) HB2 LYS 40 - HG3 LYS 68 OK 17 98 - 17 - 1.8/1800=2, 2.9/1811=2...(6) HB2 LYS 40 - HG2 LYS 39 OK 11 57 - 19 - 4.1/6622=2, 3.0/1773=2...(7) HB ILE 76 - HG2 LYS 39 poor 9 54 - 17 - 3422/1.8=2, ~3430=1, 3.2/10569=1 HB3 LEU 6 - HG3 LYS 68 lone 5 99 - 5 - HB ILE 76 - HG3 LYS 68 lone 4 96 - 4 - HB3 LEU 6 - HG2 LYS 39 lone 2 59 - 4 - HB3 ARG 79 - HG3 LYS 68 lone 2 100 - 2 - HB ILE 52 - HG2 LYS 39 lone 1 33 - 3 - HB3 ARG 79 - HG2 LYS 39 lone 1 60 - 1 - HD3 LYS 73 - HG3 LYS 68 lone 1 84 - 1 - HD2 LYS 73 - HG3 LYS 68 lone 1 77 - 1 - HD3 LYS 73 - HG2 LYS 39 lone 1 44 - 1 - HD2 LYS 73 - HG2 LYS 39 lone 0 40 - 1 - HB ILE 52 - HG3 LYS 68 lone 0 65 - 1 - Peak 3039 from cnoeabs.peaks (1.65, 1.35, 25.26 ppm; 2.51 A): 4 out of 24 assignments used, quality = 1.00: HG2 LYS 68 + HG3 LYS 68 OK 94 94 - 100 - 1.8=100 * HD3 LYS 68 + HG3 LYS 68 OK 76 100 - 76 - 3.0=61, 3056/2.9=4...(15) HD2 LYS 68 + HG3 LYS 68 OK 76 100 - 76 - 3.0=61, 3056/2.9=4...(15) HD2 LYS 39 + HG2 LYS 39 OK 50 60 - 84 - 3.0=61, 1.8/1739=12...(27) HD3 LYS 39 - HG2 LYS 39 OK 43 51 - 85 - 3.0=61, 1740/1.8=10...(28) HD2 LYS 39 - HG3 LYS 68 OK 38 100 - 39 - 1.8/1739=6, 3.0/1717=4...(13) HD3 LYS 39 - HG3 LYS 68 OK 37 92 - 41 - 1739=7, 3.0/1717=4...(13) HD2 LYS 68 - HG2 LYS 39 OK 27 61 - 45 - 1719/1.8=4, 3.0/3026=4...(18) HD3 LYS 68 - HG2 LYS 39 OK 27 61 - 45 - 1719/1.8=4, 3.0/3026=4...(18) HG2 LYS 68 - HG2 LYS 39 OK 24 52 - 45 - 3026=7, 1720/1.8=3...(16) HB2 LYS 40 - HG3 LYS 68 OK 17 99 - 17 - 1.8/1800=2, 2.9/1811=2...(6) HB2 LYS 40 - HG2 LYS 39 OK 11 58 - 19 - 4.1/6622=2, 3.0/1773=2...(7) HB ILE 76 - HG2 LYS 39 poor 9 56 - 17 - 3422/1.8=2, ~3430=1, 3.2/10569=1 HB3 LEU 6 - HG3 LYS 68 lone 5 100 - 5 - HB ILE 76 - HG3 LYS 68 lone 4 97 - 4 - HB3 LEU 6 - HG2 LYS 39 lone 2 60 - 4 - HB3 ARG 79 - HG3 LYS 68 lone 2 100 - 2 - HB ILE 52 - HG2 LYS 39 lone 1 30 - 3 - HB3 ARG 79 - HG2 LYS 39 lone 1 60 - 1 - HD3 LYS 73 - HG3 LYS 68 lone 1 81 - 1 - HD2 LYS 73 - HG3 LYS 68 lone 1 73 - 1 - HD3 LYS 73 - HG2 LYS 39 lone 0 42 - 1 - HD2 LYS 73 - HG2 LYS 39 lone 0 37 - 1 - HB ILE 52 - HG3 LYS 68 lone 0 61 - 1 - Peak 3040 from cnoeabs.peaks (2.91, 1.35, 25.26 ppm; 3.82 A): 2 out of 20 assignments used, quality = 1.00: * HE2 LYS 68 + HG3 LYS 68 OK 100 100 - 100 - 3.6=100 HE3 LYS 68 + HG3 LYS 68 OK 100 100 - 100 - 3.6=100 HE3 LYS 94 - HG3 LYS 68 OK 43 100 - 44 - 3029/1.8=4, 3.0/4234=4...(22) HE2 LYS 94 - HG3 LYS 68 OK 43 92 - 46 - 3029/1.8=4, 3.0/4234=4...(23) HE2 LYS 68 - HG2 LYS 39 OK 29 61 - 49 - 3.6/3026=7, 3.0/3059=3...(21) HE3 LYS 20 - HG3 LYS 68 OK 29 100 - 29 - 3029/1.8=3, 3006/2.9=2...(11) HE2 LYS 20 - HG3 LYS 68 OK 29 100 - 29 - 3029/1.8=3, 3006/2.9=2...(11) HE3 LYS 68 - HG2 LYS 39 OK 29 60 - 49 - 3.6/3026=7, 3.0/3059=3...(21) HE3 LYS 66 - HG3 LYS 68 OK 27 94 - 29 - 3030/1.8=3, 3007/2.9=2...(12) HE2 LYS 66 - HG3 LYS 68 OK 24 77 - 31 - 3030/1.8=2, 3007/2.9=2...(12) HE3 LYS 94 - HG2 LYS 39 poor 9 61 - 15 - 3.0/4234=2, 3.0/4245=2...(4) HE2 LYS 94 - HG2 LYS 39 poor 8 51 - 16 - 3.0/4234=2, 3.0/4245=2...(4) HE3 LYS 66 - HG2 LYS 39 lone 5 52 - 9 - HE2 LYS 66 - HG2 LYS 39 lone 3 40 - 7 - HE2 LYS 20 - HG2 LYS 39 lone 2 60 - 4 - HE3 LYS 20 - HG2 LYS 39 lone 2 60 - 4 - HB2 ASN 60 - HG3 LYS 68 lone 1 65 - 2 - HB2 ASN 10 - HG3 LYS 68 lone 1 65 - 1 - HB2 ASN 60 - HG2 LYS 39 lone 1 33 - 2 - 4.0/9416=1 HB2 ASN 10 - HG2 LYS 39 lone 0 33 - 1 - Peak 3041 from cnoeabs.peaks (2.91, 1.35, 25.26 ppm; 3.82 A): 2 out of 18 assignments used, quality = 1.00: * HE3 LYS 68 + HG3 LYS 68 OK 100 100 - 100 - 3.6=100 HE2 LYS 68 + HG3 LYS 68 OK 100 100 - 100 - 3.6=100 HE3 LYS 94 - HG3 LYS 68 OK 43 100 - 44 - 3029/1.8=4, 3.0/4234=4...(22) HE2 LYS 94 - HG3 LYS 68 OK 40 87 - 46 - 3029/1.8=4, 3.0/4234=4...(23) HE3 LYS 68 - HG2 LYS 39 OK 29 61 - 49 - 3.6/3026=7, 3.0/3059=3...(21) HE2 LYS 68 - HG2 LYS 39 OK 29 60 - 49 - 3.6/3026=7, 3.0/3059=3...(21) HE2 LYS 20 - HG3 LYS 68 OK 29 99 - 29 - 3029/1.8=3, 3006/2.9=2...(11) HE3 LYS 20 - HG3 LYS 68 OK 29 99 - 29 - 3029/1.8=3, 3006/2.9=2...(11) HE3 LYS 66 - HG3 LYS 68 OK 28 97 - 29 - 3030/1.8=3, 3007/2.9=2...(12) HE2 LYS 66 - HG3 LYS 68 OK 26 84 - 32 - 3030/1.8=2, 3007/2.9=2...(12) HE3 LYS 94 - HG2 LYS 39 poor 9 60 - 15 - 3.0/4234=2, 3.0/4245=2...(4) HE2 LYS 94 - HG2 LYS 39 poor 7 47 - 16 - 3.0/4234=2, 3.0/4245=2...(4) HE3 LYS 66 - HG2 LYS 39 lone 5 56 - 9 - HE2 LYS 66 - HG2 LYS 39 lone 3 44 - 7 - HE2 LYS 20 - HG2 LYS 39 lone 2 59 - 4 - HE3 LYS 20 - HG2 LYS 39 lone 2 58 - 4 - HB2 ASN 60 - HG3 LYS 68 lone 2 73 - 2 - HB2 ASN 60 - HG2 LYS 39 lone 1 37 - 2 - 4.0/9416=1 Peak 3042 from cnoeabs.peaks (7.90, 1.35, 25.26 ppm; 4.93 A): 3 out of 6 assignments used, quality = 0.99: * H GLU 69 + HG3 LYS 68 OK 91 100 - 91 - 7124/2.9=32, 7122/4.6=25...(19) H GLN 72 + HG3 LYS 68 OK 64 98 - 66 - 9557/2.9=22, ~10790=15...(12) H ASP 65 + HG3 LYS 68 OK 55 65 - 85 - ~9500=21, ~2856=18...(24) H GLU 69 - HG2 LYS 39 OK 30 61 - 49 - 3.6/3033=8, 7127=7...(14) H GLN 72 - HG2 LYS 39 OK 12 57 - 21 - 10827/5.2=3, 9557/3.0=3...(7) H ASP 65 - HG2 LYS 39 poor 10 33 - 30 - ~9500=3, 3.0/9502=3...(15) Peak 3043 from cnoeabs.peaks (8.19, 1.65, 29.52 ppm; 4.07 A): 5 out of 9 assignments used, quality = 1.00: * H LYS 68 + HD2 LYS 68 OK 87 100 - 87 - 5.9=33, 7107/3.5=23...(23) H LYS 68 + HD3 LYS 68 OK 87 100 - 87 - 5.9=33, 7107/3.5=23...(23) H ASP 36 + HD2 LYS 39 OK 62 94 - 66 - ~10563=16, 3.0/10266=12...(16) H ASP 36 + HD2 LYS 68 OK 52 100 - 52 - 3021/3.0=8, 3.0/10266=8...(18) H ASP 36 + HD3 LYS 68 OK 52 100 - 52 - 3021/3.0=8, 3.0/10266=8...(18) H LYS 68 - HD2 LYS 39 OK 44 94 - 47 - 7109/1.8=6, 7110/3.0=5...(17) H GLU 43 - HD2 LYS 39 OK 33 89 - 37 - 6681/4.9=16, 6687/3.6=6...(10) H GLU 43 - HD2 LYS 68 OK 25 97 - 25 - 3021/3.0=5, 2998/3.5=3...(6) H GLU 43 - HD3 LYS 68 OK 25 97 - 25 - 3021/3.0=5, 2998/3.5=3...(6) Peak 3044 from cnoeabs.peaks (3.81, 1.65, 29.52 ppm; 4.18 A): 3 out of 12 assignments used, quality = 1.00: * HA LYS 68 + HD2 LYS 68 OK 96 100 - 96 - 5.3=48, 2988/3.5=19...(52) HA LYS 68 + HD3 LYS 68 OK 96 100 - 96 - 5.3=48, 2988/3.5=19...(51) HA LYS 68 + HD2 LYS 39 OK 63 94 - 67 - 3033/3.0=7, 787/3.0=6...(35) HA ARG 19 - HD2 LYS 68 OK 30 99 - 30 - 3022/3.0=6, 2999/3.5=6...(9) HA ARG 19 - HD3 LYS 68 OK 30 99 - 30 - 3022/3.0=6, 2999/3.5=6...(9) HA SER 97 - HD2 LYS 68 poor 10 90 - 11 - 3022/3.0=2, 3033/3.0=2...(4) HA SER 97 - HD3 LYS 68 poor 10 89 - 11 - 3022/3.0=2, 3033/3.0=2...(4) HB3 SER 102 - HD2 LYS 68 lone 8 99 - 8 - 3022/3.0=2, 2999/3.5=2...(4) HB3 SER 102 - HD3 LYS 68 lone 8 99 - 8 - 3022/3.0=2, 2999/3.5=2...(4) HA ARG 19 - HD2 LYS 39 lone 7 92 - 8 - 787/3.0=1 HA SER 97 - HD2 LYS 39 lone 2 80 - 3 - HB3 SER 102 - HD2 LYS 39 lone 2 91 - 2 - Peak 3045 from cnoeabs.peaks (1.84, 1.65, 29.52 ppm; 2.89 A): 3 out of 15 assignments used, quality = 0.98: * HB2 LYS 68 + HD2 LYS 68 OK 83 100 - 83 - 3.5=56, 3004/1.8=6...(33) HB2 LYS 68 + HD3 LYS 68 OK 83 100 - 83 - 3.5=56, 3004/1.8=6...(33) HB2 LYS 68 + HD2 LYS 39 OK 46 94 - 49 - 3004=5, 3034/3.0=4...(22) HB3 LYS 90 - HD2 LYS 68 OK 28 99 - 28 - 3023/3.0=4, 3034/3.0=3...(13) HB3 LYS 90 - HD3 LYS 68 OK 28 99 - 28 - 3023/3.0=4, 3034/3.0=3...(13) HB2 LYS 53 - HD2 LYS 68 OK 10 100 - 10 - 3023/3.0=2, 3034/3.0=1 HB2 LYS 53 - HD3 LYS 68 OK 10 100 - 10 - 3023/3.0=2, 3034/3.0=1 HG2 ARG 46 - HD2 LYS 39 poor 8 74 - 11 - 2091/3.6=1, ~1737=1 HB3 LEU 57 - HD2 LYS 68 lone 8 81 - 10 - 3.1/10263=2, ~10263=1 HB3 LEU 57 - HD3 LYS 68 lone 8 80 - 10 - 3.1/10263=2, ~10263=1 HB3 LYS 90 - HD2 LYS 39 lone 6 92 - 6 - HG2 ARG 46 - HD2 LYS 68 lone 5 84 - 6 - HG2 ARG 46 - HD3 LYS 68 lone 5 83 - 6 - HB3 LEU 57 - HD2 LYS 39 lone 1 71 - 2 - HB2 LYS 53 - HD2 LYS 39 lone 1 93 - 1 - Peak 3046 from cnoeabs.peaks (1.87, 1.65, 29.52 ppm; 2.91 A): 6 out of 27 assignments used, quality = 1.00: * HB3 LYS 68 + HD2 LYS 68 OK 83 100 - 83 - 3.5=57, 1.8/3004=6...(33) HB3 LYS 68 + HD3 LYS 68 OK 83 100 - 83 - 3.5=57, 1.8/3004=6...(33) HB3 LYS 39 + HD2 LYS 39 OK 72 85 - 84 - 3.6=53, ~1737=9, ~1736=7...(33) HB3 LYS 39 + HD2 LYS 68 OK 52 94 - 56 - 3024/3.0=5, 1.8/1686=4...(28) HB3 LYS 39 + HD3 LYS 68 OK 52 94 - 56 - 3024/3.0=5, 1.8/1686=4...(28) HB3 LYS 68 + HD2 LYS 39 OK 45 94 - 48 - 1716/3.0=4, 1.8/3004=3...(22) HB3 LYS 12 - HD2 LYS 39 OK 29 91 - 31 - 1716/3.0=3, 1683/3.6=2...(13) HB2 LYS 12 - HD2 LYS 39 OK 28 89 - 32 - 1716/3.0=3, 1683/3.6=3...(13) HB3 LYS 12 - HD2 LYS 68 OK 20 99 - 20 - 3024/3.0=2, 3001/3.5=2 HB3 LYS 12 - HD3 LYS 68 OK 20 99 - 20 - 3024/3.0=2, 3001/3.5=2 HB2 LYS 12 - HD2 LYS 68 OK 19 97 - 20 - 3024/3.0=2, 3001/3.5=1...(4) HB2 LYS 12 - HD3 LYS 68 OK 19 97 - 20 - 3024/3.0=2, 3001/3.5=1...(4) HB3 LYS 66 - HD2 LYS 68 OK 16 92 - 17 - 2906/3.0=2, 2906/3.0=2...(5) HB3 LYS 66 - HD3 LYS 68 OK 16 91 - 17 - 2906/3.0=2, 2906/3.0=2...(5) HB VAL 5 - HD2 LYS 68 poor 10 92 - 11 - 3024/3.0=1, 10368/5.3=1 HB VAL 5 - HD3 LYS 68 poor 10 91 - 11 - 3024/3.0=1, 10368/5.3=1 HB3 GLU 104 - HD2 LYS 39 lone 9 94 - 10 - 4530/3.6=2, ~1737=1, 1716/3.0=1 HB2 LYS 20 - HD2 LYS 68 poor 8 65 - 12 - HB2 LYS 20 - HD3 LYS 68 poor 8 65 - 12 - HB VAL 5 - HD2 LYS 39 lone 7 83 - 8 - 10193/3.0=2 HB VAL 54 - HD2 LYS 68 lone 5 81 - 7 - 2.1/10655=1 HB VAL 54 - HD3 LYS 68 lone 5 80 - 7 - 2.1/10655=1 HB3 GLU 104 - HD2 LYS 68 lone 5 100 - 4 - HB3 GLU 104 - HD3 LYS 68 lone 5 100 - 4 - HB3 LYS 66 - HD2 LYS 39 lone 3 83 - 4 - HB VAL 54 - HD2 LYS 39 lone 3 71 - 4 - HB2 LYS 20 - HD2 LYS 39 lone 1 57 - 1 - Peak 3047 from cnoeabs.peaks (1.64, 1.65, 29.52 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD3 LYS 68 + HD3 LYS 68 OK 94 94 - 100 HD2 LYS 68 + HD2 LYS 68 OK 92 92 - 100 HD2 LYS 39 + HD2 LYS 39 OK 77 77 - 100 Reference assignment not found: HG2 LYS 68 - HD2 LYS 68 Peak 3048 from cnoeabs.peaks (1.35, 1.65, 29.52 ppm; 2.66 A): 5 out of 36 assignments used, quality = 1.00: * HG3 LYS 68 + HD2 LYS 68 OK 85 100 - 85 - 3.0=73, 2.9/3056=5...(16) HG3 LYS 68 + HD3 LYS 68 OK 85 100 - 85 - 3.0=73, 2.9/3056=5...(16) HG2 LYS 39 + HD2 LYS 39 OK 83 92 - 89 - 3.0=73, 1.8/1719=8...(27) HG2 LYS 39 + HD2 LYS 68 OK 50 99 - 51 - 1.8/1719=5, 3026/3.0=4...(22) HG2 LYS 39 + HD3 LYS 68 OK 50 99 - 50 - 1.8/1719=5, 3026/3.0=4...(22) HG3 LYS 68 - HD2 LYS 39 OK 40 94 - 43 - 1717/3.0=5, 3038=4...(14) HG3 LYS 40 - HD2 LYS 68 OK 20 92 - 22 - 1.8/1808=2, 1819=2...(7) HG3 LYS 40 - HD3 LYS 68 OK 20 91 - 22 - 1.8/1808=2, 1819=2...(7) HG3 LYS 40 - HD2 LYS 39 OK 18 83 - 22 - 1.8/1808=2, 1819=2...(9) HG2 LYS 94 - HD2 LYS 68 OK 18 92 - 19 - 4214/3.0=1, 4217/3.0=1 HG2 LYS 94 - HD3 LYS 68 OK 17 91 - 19 - 4214/3.0=1, 4217/3.0=1 HB2 LYS 82 - HD2 LYS 39 OK 12 90 - 14 - 3657/3.0=3, ~3668=2...(5) QB ALA 67 - HD2 LYS 68 OK 12 87 - 14 - 3.6/7111=3, 4.9/3055=2...(5) QB ALA 67 - HD3 LYS 68 OK 12 86 - 14 - 3.6/7111=3, 4.9/3055=2...(5) HG LEU 14 - HD2 LYS 39 lone 8 94 - 9 - ~10570=2, 1717/3.0=1 HG2 LYS 94 - HD2 LYS 39 lone 8 83 - 9 - 4214/1.8=1 HB3 LEU 27 - HD2 LYS 39 lone 6 91 - 7 - HG LEU 14 - HD2 LYS 68 lone 6 100 - 6 - HG LEU 14 - HD3 LYS 68 lone 6 100 - 6 - QB ALA 67 - HD2 LYS 39 lone 6 77 - 8 - 3.6/7111=1, 4.9/3044=1 HB3 LEU 27 - HD2 LYS 68 lone 6 99 - 6 - HB3 LEU 27 - HD3 LYS 68 lone 6 99 - 5 - HB2 LYS 82 - HD2 LYS 68 lone 4 98 - 4 - HB2 LYS 82 - HD3 LYS 68 lone 4 98 - 4 - HB3 LEU 2 - HD2 LYS 39 lone 3 64 - 4 - HG12 ILE 8 - HD2 LYS 39 lone 2 71 - 3 - QB ALA 89 - HD2 LYS 68 lone 2 92 - 2 - QB ALA 89 - HD3 LYS 68 lone 2 91 - 2 - QB ALA 89 - HD2 LYS 39 lone 2 83 - 2 - HG12 ILE 8 - HD2 LYS 68 lone 2 81 - 2 - HG12 ILE 8 - HD3 LYS 68 lone 2 80 - 2 - QB ALA 25 - HD2 LYS 39 lone 2 83 - 2 - QB ALA 25 - HD2 LYS 68 lone 1 92 - 2 - QB ALA 25 - HD3 LYS 68 lone 1 91 - 2 - HB3 LEU 2 - HD2 LYS 68 lone 1 73 - 2 - HB3 LEU 2 - HD3 LYS 68 lone 1 73 - 2 - Peak 3049 from cnoeabs.peaks (1.65, 1.65, 29.52 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD2 LYS 68 + HD2 LYS 68 OK 100 100 - 100 HD3 LYS 68 + HD3 LYS 68 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 94 94 - 100 Peak 3050 from cnoeabs.peaks (1.65, 1.65, 29.52 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD2 LYS 68 + HD2 LYS 68 OK 100 100 - 100 HD3 LYS 68 + HD3 LYS 68 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 93 93 - 100 Reference assignment not found: HD3 LYS 68 - HD2 LYS 68 Peak 3051 from cnoeabs.peaks (2.91, 1.65, 29.52 ppm; 2.84 A): 4 out of 30 assignments used, quality = 1.00: HE3 LYS 68 + HD2 LYS 68 OK 92 100 - 92 - 3.0=86, 3082/1.8=4...(21) * HE2 LYS 68 + HD2 LYS 68 OK 92 100 - 92 - 3.0=86, 1.8/3082=4...(22) HE2 LYS 68 + HD3 LYS 68 OK 92 100 - 92 - 3.0=86, 1.8/3082=4...(22) HE3 LYS 68 + HD3 LYS 68 OK 92 100 - 92 - 3.0=86, 3082/1.8=4...(21) HE3 LYS 94 - HD2 LYS 68 OK 22 100 - 22 - 3029/3.0=2, 3040/3.0=1...(4) HE3 LYS 94 - HD3 LYS 68 OK 22 100 - 22 - 3029/3.0=2, 3040/3.0=1...(4) HE2 LYS 94 - HD2 LYS 68 OK 22 92 - 24 - 3029/3.0=2, 3040/3.0=1 HE2 LYS 94 - HD3 LYS 68 OK 21 91 - 24 - 3029/3.0=2, 3040/3.0=1 HE3 LYS 68 - HD2 LYS 39 OK 20 94 - 21 - 3.6/3038=1, 5.0/3045=1, 3082=1 HE2 LYS 68 - HD2 LYS 39 OK 19 94 - 21 - 3.6/3038=1, 5.0/3045=1, 3082=1 HE3 LYS 20 - HD2 LYS 68 OK 16 100 - 16 - 3029/3.0=1 HE2 LYS 20 - HD2 LYS 68 OK 16 100 - 16 - 3029/3.0=1 HE2 LYS 20 - HD3 LYS 68 OK 16 100 - 16 - 3029/3.0=1 HE3 LYS 20 - HD3 LYS 68 OK 16 100 - 16 - 3029/3.0=1 HE3 LYS 66 - HD2 LYS 68 OK 14 94 - 15 - 3030/3.0=1 HE3 LYS 66 - HD3 LYS 68 OK 14 94 - 15 - 3030/3.0=1 HE2 LYS 66 - HD2 LYS 68 OK 12 77 - 16 - HE2 LYS 66 - HD3 LYS 68 OK 12 77 - 16 - HE3 LYS 94 - HD2 LYS 39 lone 4 94 - 5 - HE2 LYS 94 - HD2 LYS 39 lone 4 83 - 5 - HE3 LYS 66 - HD2 LYS 39 lone 2 85 - 3 - HE2 LYS 20 - HD2 LYS 39 lone 1 94 - 1 - HE3 LYS 20 - HD2 LYS 39 lone 1 93 - 1 - HE2 LYS 66 - HD2 LYS 39 lone 1 68 - 2 - HB2 ASN 60 - HD2 LYS 68 lone 1 65 - 1 - HB2 ASN 60 - HD3 LYS 68 lone 1 65 - 1 - HB2 ASN 10 - HD2 LYS 68 lone 0 65 - 0 - HB2 ASN 10 - HD3 LYS 68 lone 0 65 - 0 - HB2 ASN 60 - HD2 LYS 39 lone 0 57 - 1 - HB2 ASN 10 - HD2 LYS 39 lone 0 57 - 0 - Peak 3052 from cnoeabs.peaks (2.91, 1.65, 29.52 ppm; 2.84 A): 4 out of 27 assignments used, quality = 1.00: * HE3 LYS 68 + HD2 LYS 68 OK 92 100 - 92 - 3.0=86, 3082/1.8=4...(21) HE3 LYS 68 + HD3 LYS 68 OK 92 100 - 92 - 3.0=86, 3082/1.8=4...(21) HE2 LYS 68 + HD2 LYS 68 OK 92 100 - 92 - 3.0=86, 1.8/3082=4...(22) HE2 LYS 68 + HD3 LYS 68 OK 92 100 - 92 - 3.0=86, 1.8/3082=4...(22) HE3 LYS 94 - HD2 LYS 68 OK 22 100 - 22 - 3029/3.0=2, 3041/3.0=1...(4) HE3 LYS 94 - HD3 LYS 68 OK 22 100 - 22 - 3029/3.0=2, 3041/3.0=1...(4) HE2 LYS 94 - HD2 LYS 68 OK 20 87 - 24 - 3029/3.0=2, 3040/3.0=1 HE2 LYS 94 - HD3 LYS 68 OK 20 86 - 24 - 3029/3.0=2, 3040/3.0=1 HE3 LYS 68 - HD2 LYS 39 OK 20 94 - 21 - 3.6/3038=1, 5.0/3045=1, 3082=1 HE2 LYS 68 - HD2 LYS 39 OK 19 94 - 21 - 3.6/3038=1, 5.0/3045=1, 3082=1 HE2 LYS 20 - HD2 LYS 68 OK 16 99 - 16 - 3029/3.0=1 HE2 LYS 20 - HD3 LYS 68 OK 16 99 - 16 - 3029/3.0=1 HE3 LYS 20 - HD2 LYS 68 OK 16 99 - 16 - 3029/3.0=1 HE3 LYS 20 - HD3 LYS 68 OK 16 99 - 16 - 3029/3.0=1 HE3 LYS 66 - HD2 LYS 68 OK 15 97 - 16 - 3030/3.0=1 HE3 LYS 66 - HD3 LYS 68 OK 15 97 - 16 - 3030/3.0=1 HE2 LYS 66 - HD2 LYS 68 OK 13 84 - 16 - HE2 LYS 66 - HD3 LYS 68 OK 13 83 - 16 - HE3 LYS 94 - HD2 LYS 39 lone 4 93 - 5 - HE2 LYS 94 - HD2 LYS 39 lone 4 77 - 5 - HE3 LYS 66 - HD2 LYS 39 lone 2 89 - 3 - HE2 LYS 20 - HD2 LYS 39 lone 1 92 - 1 - HE2 LYS 66 - HD2 LYS 39 lone 1 74 - 2 - HE3 LYS 20 - HD2 LYS 39 lone 1 91 - 1 - HB2 ASN 60 - HD2 LYS 68 lone 1 73 - 1 - HB2 ASN 60 - HD3 LYS 68 lone 1 73 - 1 - HB2 ASN 60 - HD2 LYS 39 lone 0 64 - 1 - Peak 3053 from cnoeabs.peaks (7.90, 1.65, 29.52 ppm; 4.86 A): 6 out of 9 assignments used, quality = 1.00: H GLU 69 + HD3 LYS 68 OK 85 100 - 85 - 7124/3.5=29, 7125/3.5=19...(15) * H GLU 69 + HD2 LYS 68 OK 84 100 - 84 - 7124/3.5=29, 7125/3.5=19...(15) H GLN 72 + HD2 LYS 68 OK 64 98 - 65 - 9557/3.5=19, ~10790=11...(15) H GLN 72 + HD3 LYS 68 OK 63 98 - 65 - 9557/3.5=19, ~10790=11...(15) H ASP 65 + HD2 LYS 68 OK 50 65 - 77 - ~9500=15, ~2856=14...(21) H ASP 65 + HD3 LYS 68 OK 50 65 - 77 - ~9500=15, ~2856=14...(21) H GLU 69 - HD2 LYS 39 OK 36 94 - 39 - 3.6/3044=6, 7127/3.0=6...(11) H GLN 72 - HD2 LYS 39 OK 16 90 - 18 - 9556/1.8=3, 9557/3.6=2...(6) H ASP 65 - HD2 LYS 39 OK 12 57 - 21 - ~9500=5, 4.9/10243=3...(9) Peak 3054 from cnoeabs.peaks (8.19, 1.65, 29.52 ppm; 4.07 A): 5 out of 9 assignments used, quality = 1.00: * H LYS 68 + HD3 LYS 68 OK 87 100 - 87 - 5.9=33, 7107/3.5=23...(23) H LYS 68 + HD2 LYS 68 OK 87 100 - 87 - 5.9=33, 7107/3.5=23...(23) H ASP 36 + HD2 LYS 39 OK 60 92 - 66 - ~10563=16, 3.0/10266=12...(16) H ASP 36 + HD3 LYS 68 OK 52 100 - 52 - 3021/3.0=8, 3.0/10266=8...(18) H ASP 36 + HD2 LYS 68 OK 52 100 - 52 - 3021/3.0=8, 3.0/10266=8...(18) H LYS 68 - HD2 LYS 39 OK 43 92 - 47 - 7109/1.8=6, 7110/3.0=5...(17) H GLU 43 - HD2 LYS 39 OK 32 86 - 37 - 6681/4.9=16, 6687/3.6=6...(9) H GLU 43 - HD3 LYS 68 OK 25 97 - 25 - 3021/3.0=5, 2998/3.5=3...(6) H GLU 43 - HD2 LYS 68 OK 25 97 - 25 - 3021/3.0=5, 2998/3.5=3...(6) Peak 3055 from cnoeabs.peaks (3.81, 1.65, 29.52 ppm; 4.18 A): 3 out of 12 assignments used, quality = 1.00: HA LYS 68 + HD2 LYS 68 OK 96 100 - 96 - 5.3=48, 2988/3.5=19...(52) * HA LYS 68 + HD3 LYS 68 OK 96 100 - 96 - 5.3=48, 2988/3.5=19...(51) HA LYS 68 + HD2 LYS 39 OK 61 92 - 67 - 3033/3.0=7, 787/3.0=6...(34) HA ARG 19 - HD3 LYS 68 OK 30 99 - 30 - 3022/3.0=6, 2999/3.5=6...(9) HA ARG 19 - HD2 LYS 68 OK 30 99 - 30 - 3022/3.0=6, 2999/3.5=6...(9) HA SER 97 - HD3 LYS 68 poor 10 90 - 11 - 3022/3.0=2, 3033/3.0=2...(4) HA SER 97 - HD2 LYS 68 poor 10 89 - 11 - 3022/3.0=2, 3033/3.0=2...(4) HB3 SER 102 - HD3 LYS 68 lone 8 99 - 8 - 3022/3.0=2, 2999/3.5=2...(4) HB3 SER 102 - HD2 LYS 68 lone 8 99 - 8 - 3022/3.0=2, 2999/3.5=2...(4) HA ARG 19 - HD2 LYS 39 lone 7 90 - 8 - 787/3.0=1 HA SER 97 - HD2 LYS 39 lone 2 78 - 3 - HB3 SER 102 - HD2 LYS 39 lone 2 89 - 2 - Peak 3056 from cnoeabs.peaks (1.84, 1.65, 29.52 ppm; 2.89 A): 3 out of 15 assignments used, quality = 0.98: * HB2 LYS 68 + HD3 LYS 68 OK 83 100 - 83 - 3.5=56, 3004/1.8=6...(33) HB2 LYS 68 + HD2 LYS 68 OK 83 100 - 83 - 3.5=56, 3004/1.8=6...(33) HB2 LYS 68 + HD2 LYS 39 OK 45 92 - 49 - 3004=5, 3034/3.0=4...(22) HB3 LYS 90 - HD3 LYS 68 OK 28 99 - 28 - 3023/3.0=4, 3034/3.0=3...(13) HB3 LYS 90 - HD2 LYS 68 OK 28 99 - 28 - 3023/3.0=4, 3034/3.0=3...(13) HB2 LYS 53 - HD3 LYS 68 OK 10 100 - 10 - 3023/3.0=2, 3034/3.0=1 HB2 LYS 53 - HD2 LYS 68 OK 10 100 - 10 - 3023/3.0=2, 3034/3.0=1 HB3 LEU 57 - HD3 LYS 68 lone 8 81 - 10 - 3.1/10263=2, ~10263=1 HG2 ARG 46 - HD2 LYS 39 poor 8 72 - 11 - 2091/3.6=1, ~1737=1 HB3 LEU 57 - HD2 LYS 68 lone 8 80 - 10 - 3.1/10263=2, ~10263=1 HB3 LYS 90 - HD2 LYS 39 lone 6 90 - 6 - HG2 ARG 46 - HD3 LYS 68 lone 5 84 - 6 - HG2 ARG 46 - HD2 LYS 68 lone 5 83 - 6 - HB3 LEU 57 - HD2 LYS 39 lone 1 69 - 2 - HB2 LYS 53 - HD2 LYS 39 lone 1 91 - 1 - Peak 3057 from cnoeabs.peaks (1.87, 1.65, 29.52 ppm; 2.91 A): 5 out of 27 assignments used, quality = 1.00: * HB3 LYS 68 + HD3 LYS 68 OK 83 100 - 83 - 3.5=57, 1.8/3004=6...(33) HB3 LYS 68 + HD2 LYS 68 OK 83 100 - 83 - 3.5=57, 1.8/3004=6...(33) HB3 LYS 39 + HD2 LYS 39 OK 69 83 - 84 - 3.6=53, ~1737=9, ~1736=7...(33) HB3 LYS 39 + HD3 LYS 68 OK 52 94 - 56 - 3024/3.0=5, 1.8/1686=4...(28) HB3 LYS 39 + HD2 LYS 68 OK 52 94 - 56 - 3024/3.0=5, 1.8/1686=4...(28) HB3 LYS 68 - HD2 LYS 39 OK 44 92 - 48 - 1716/3.0=4, 1.8/3004=3...(22) HB3 LYS 12 - HD2 LYS 39 OK 28 89 - 31 - 1716/3.0=3, 1683/3.6=2...(13) HB2 LYS 12 - HD2 LYS 39 OK 27 86 - 32 - 1716/3.0=3, 1683/3.6=3...(13) HB3 LYS 12 - HD3 LYS 68 OK 20 99 - 20 - 3024/3.0=2, 3001/3.5=2 HB3 LYS 12 - HD2 LYS 68 OK 20 99 - 20 - 3024/3.0=2, 3001/3.5=2 HB2 LYS 12 - HD3 LYS 68 OK 19 97 - 20 - 3024/3.0=2, 3001/3.5=1...(4) HB2 LYS 12 - HD2 LYS 68 OK 19 97 - 20 - 3024/3.0=2, 3001/3.5=1...(4) HB3 LYS 66 - HD3 LYS 68 OK 16 92 - 17 - 2906/3.0=2, 2906/3.0=2...(5) HB3 LYS 66 - HD2 LYS 68 OK 16 91 - 17 - 2906/3.0=2, 2906/3.0=2...(5) HB VAL 5 - HD3 LYS 68 poor 10 92 - 11 - 3024/3.0=1, 10368/5.3=1 HB VAL 5 - HD2 LYS 68 poor 10 91 - 11 - 3024/3.0=1, 10368/5.3=1 HB3 GLU 104 - HD2 LYS 39 lone 9 92 - 10 - 4530/3.6=2, ~1737=1, 1716/3.0=1 HB2 LYS 20 - HD3 LYS 68 poor 8 65 - 12 - HB2 LYS 20 - HD2 LYS 68 poor 8 65 - 12 - HB VAL 5 - HD2 LYS 39 lone 6 80 - 8 - 10193/3.0=2 HB VAL 54 - HD3 LYS 68 lone 5 81 - 7 - 2.1/10655=1 HB VAL 54 - HD2 LYS 68 lone 5 80 - 7 - 2.1/10655=1 HB3 GLU 104 - HD2 LYS 68 lone 5 100 - 4 - HB3 GLU 104 - HD3 LYS 68 lone 5 100 - 4 - HB3 LYS 66 - HD2 LYS 39 lone 3 80 - 4 - HB VAL 54 - HD2 LYS 39 lone 3 69 - 4 - HB2 LYS 20 - HD2 LYS 39 lone 0 55 - 1 - Peak 3058 from cnoeabs.peaks (1.64, 1.65, 29.52 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD3 LYS 68 + HD3 LYS 68 OK 94 94 - 100 HD2 LYS 68 + HD2 LYS 68 OK 91 91 - 100 HD2 LYS 39 + HD2 LYS 39 OK 75 75 - 100 Reference assignment not found: HG2 LYS 68 - HD3 LYS 68 Peak 3059 from cnoeabs.peaks (1.35, 1.65, 29.52 ppm; 2.66 A): 5 out of 36 assignments used, quality = 1.00: * HG3 LYS 68 + HD3 LYS 68 OK 85 100 - 85 - 3.0=73, 2.9/3056=5...(16) HG3 LYS 68 + HD2 LYS 68 OK 85 100 - 85 - 3.0=73, 2.9/3056=5...(16) HG2 LYS 39 + HD2 LYS 39 OK 80 90 - 89 - 3.0=73, 1.8/1719=8...(27) HG2 LYS 39 + HD3 LYS 68 OK 50 99 - 50 - 1.8/1719=5, 3026/3.0=4...(22) HG2 LYS 39 + HD2 LYS 68 OK 50 99 - 50 - 1.8/1719=5, 3026/3.0=4...(22) HG3 LYS 68 - HD2 LYS 39 OK 39 92 - 43 - 1717/3.0=5, 3038=4...(14) HG3 LYS 40 - HD3 LYS 68 OK 20 92 - 22 - 1.8/1808=2, 1819=2...(7) HG3 LYS 40 - HD2 LYS 68 OK 20 91 - 22 - 1.8/1808=2, 1819=2...(7) HG2 LYS 94 - HD3 LYS 68 OK 18 92 - 19 - 4214/3.0=1, 4217/3.0=1 HG2 LYS 94 - HD2 LYS 68 OK 17 91 - 19 - 4214/3.0=1, 4217/3.0=1 HG3 LYS 40 - HD2 LYS 39 OK 17 80 - 22 - 1.8/1808=2, 1819=2...(9) QB ALA 67 - HD3 LYS 68 OK 12 87 - 14 - 3.6/7111=3, 4.9/3055=2...(5) QB ALA 67 - HD2 LYS 68 OK 12 86 - 14 - 3.6/7111=3, 4.9/3055=2...(5) HB2 LYS 82 - HD2 LYS 39 OK 12 88 - 14 - 3657/3.0=3, ~3668=2...(5) HG LEU 14 - HD2 LYS 39 lone 8 92 - 9 - ~10570=2, 1717/3.0=1 HG2 LYS 94 - HD2 LYS 39 lone 8 80 - 9 - 4214/1.8=1 HB3 LEU 27 - HD2 LYS 39 lone 6 89 - 7 - HG LEU 14 - HD3 LYS 68 lone 6 100 - 6 - HG LEU 14 - HD2 LYS 68 lone 6 100 - 6 - QB ALA 67 - HD2 LYS 39 lone 6 75 - 8 - 3.6/7111=1, 4.9/3044=1 HB3 LEU 27 - HD3 LYS 68 lone 6 99 - 5 - HB3 LEU 27 - HD2 LYS 68 lone 5 99 - 5 - HB2 LYS 82 - HD3 LYS 68 lone 4 98 - 4 - HB2 LYS 82 - HD2 LYS 68 lone 4 98 - 4 - HB3 LEU 2 - HD2 LYS 39 lone 3 62 - 4 - HG12 ILE 8 - HD2 LYS 39 lone 2 69 - 3 - QB ALA 89 - HD3 LYS 68 lone 2 92 - 2 - QB ALA 89 - HD2 LYS 68 lone 2 91 - 2 - HG12 ILE 8 - HD3 LYS 68 lone 2 81 - 2 - QB ALA 89 - HD2 LYS 39 lone 2 80 - 2 - HG12 ILE 8 - HD2 LYS 68 lone 2 80 - 2 - QB ALA 25 - HD2 LYS 39 lone 2 80 - 2 - QB ALA 25 - HD3 LYS 68 lone 1 92 - 2 - QB ALA 25 - HD2 LYS 68 lone 1 91 - 2 - HB3 LEU 2 - HD3 LYS 68 lone 1 73 - 2 - HB3 LEU 2 - HD2 LYS 68 lone 1 73 - 2 - Peak 3060 from cnoeabs.peaks (1.65, 1.65, 29.52 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD3 LYS 68 + HD3 LYS 68 OK 100 100 - 100 HD2 LYS 68 + HD2 LYS 68 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 92 92 - 100 Reference assignment not found: HD2 LYS 68 - HD3 LYS 68 Peak 3061 from cnoeabs.peaks (1.65, 1.65, 29.52 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD3 LYS 68 + HD3 LYS 68 OK 100 100 - 100 HD2 LYS 68 + HD2 LYS 68 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 91 91 - 100 Peak 3062 from cnoeabs.peaks (2.91, 1.65, 29.52 ppm; 2.84 A): 4 out of 30 assignments used, quality = 1.00: HE3 LYS 68 + HD3 LYS 68 OK 92 100 - 92 - 3.0=86, 3082/1.8=4...(21) * HE2 LYS 68 + HD3 LYS 68 OK 92 100 - 92 - 3.0=86, 1.8/3082=4...(22) HE2 LYS 68 + HD2 LYS 68 OK 92 100 - 92 - 3.0=86, 1.8/3082=4...(22) HE3 LYS 68 + HD2 LYS 68 OK 92 100 - 92 - 3.0=86, 3082/1.8=4...(21) HE3 LYS 94 - HD3 LYS 68 OK 22 100 - 22 - 3029/3.0=2, 3040/3.0=1...(4) HE3 LYS 94 - HD2 LYS 68 OK 22 100 - 22 - 3029/3.0=2, 3040/3.0=1...(4) HE2 LYS 94 - HD3 LYS 68 OK 22 92 - 24 - 3029/3.0=2, 3040/3.0=1 HE2 LYS 94 - HD2 LYS 68 OK 21 91 - 24 - 3029/3.0=2, 3040/3.0=1 HE3 LYS 68 - HD2 LYS 39 OK 19 92 - 21 - 3.6/3038=1, 5.0/3045=1, 3082=1 HE2 LYS 68 - HD2 LYS 39 OK 19 92 - 21 - 3.6/3038=1, 5.0/3045=1, 3082=1 HE3 LYS 20 - HD3 LYS 68 OK 16 100 - 16 - 3029/3.0=1 HE2 LYS 20 - HD3 LYS 68 OK 16 100 - 16 - 3029/3.0=1 HE2 LYS 20 - HD2 LYS 68 OK 16 100 - 16 - 3029/3.0=1 HE3 LYS 20 - HD2 LYS 68 OK 16 100 - 16 - 3029/3.0=1 HE3 LYS 66 - HD3 LYS 68 OK 14 94 - 15 - 3030/3.0=1 HE3 LYS 66 - HD2 LYS 68 OK 14 94 - 15 - 3030/3.0=1 HE2 LYS 66 - HD3 LYS 68 OK 12 77 - 16 - HE2 LYS 66 - HD2 LYS 68 OK 12 77 - 16 - HE3 LYS 94 - HD2 LYS 39 lone 4 92 - 5 - HE2 LYS 94 - HD2 LYS 39 lone 4 80 - 5 - HE3 LYS 66 - HD2 LYS 39 lone 2 83 - 3 - HE2 LYS 20 - HD2 LYS 39 lone 1 92 - 1 - HE3 LYS 20 - HD2 LYS 39 lone 1 91 - 1 - HE2 LYS 66 - HD2 LYS 39 lone 1 65 - 2 - HB2 ASN 60 - HD3 LYS 68 lone 1 65 - 1 - HB2 ASN 60 - HD2 LYS 68 lone 1 65 - 1 - HB2 ASN 10 - HD3 LYS 68 lone 0 65 - 0 - HB2 ASN 10 - HD2 LYS 68 lone 0 65 - 0 - HB2 ASN 60 - HD2 LYS 39 lone 0 55 - 1 - HB2 ASN 10 - HD2 LYS 39 lone 0 55 - 0 - Peak 3063 from cnoeabs.peaks (2.91, 1.65, 29.52 ppm; 2.84 A): 4 out of 27 assignments used, quality = 1.00: * HE3 LYS 68 + HD3 LYS 68 OK 92 100 - 92 - 3.0=86, 3082/1.8=4...(21) HE3 LYS 68 + HD2 LYS 68 OK 92 100 - 92 - 3.0=86, 3082/1.8=4...(21) HE2 LYS 68 + HD3 LYS 68 OK 92 100 - 92 - 3.0=86, 1.8/3082=4...(22) HE2 LYS 68 + HD2 LYS 68 OK 92 100 - 92 - 3.0=86, 1.8/3082=4...(22) HE3 LYS 94 - HD3 LYS 68 OK 22 100 - 22 - 3029/3.0=2, 3041/3.0=1...(4) HE3 LYS 94 - HD2 LYS 68 OK 22 100 - 22 - 3029/3.0=2, 3041/3.0=1...(4) HE2 LYS 94 - HD3 LYS 68 OK 20 87 - 24 - 3029/3.0=2, 3040/3.0=1 HE2 LYS 94 - HD2 LYS 68 OK 20 86 - 24 - 3029/3.0=2, 3040/3.0=1 HE3 LYS 68 - HD2 LYS 39 OK 19 92 - 21 - 3.6/3038=1, 5.0/3045=1, 3082=1 HE2 LYS 68 - HD2 LYS 39 OK 19 92 - 21 - 3.6/3038=1, 5.0/3045=1, 3082=1 HE2 LYS 20 - HD3 LYS 68 OK 16 99 - 16 - 3029/3.0=1 HE2 LYS 20 - HD2 LYS 68 OK 16 99 - 16 - 3029/3.0=1 HE3 LYS 20 - HD3 LYS 68 OK 16 99 - 16 - 3029/3.0=1 HE3 LYS 20 - HD2 LYS 68 OK 16 99 - 16 - 3029/3.0=1 HE3 LYS 66 - HD3 LYS 68 OK 15 97 - 15 - 3030/3.0=1 HE3 LYS 66 - HD2 LYS 68 OK 15 97 - 15 - 3030/3.0=1 HE2 LYS 66 - HD3 LYS 68 OK 13 84 - 16 - HE2 LYS 66 - HD2 LYS 68 OK 13 83 - 16 - HE3 LYS 94 - HD2 LYS 39 lone 4 91 - 5 - HE2 LYS 94 - HD2 LYS 39 lone 4 75 - 5 - HE3 LYS 66 - HD2 LYS 39 lone 2 86 - 3 - HE2 LYS 20 - HD2 LYS 39 lone 1 90 - 1 - HE3 LYS 20 - HD2 LYS 39 lone 1 89 - 1 - HE2 LYS 66 - HD2 LYS 39 lone 1 72 - 2 - HB2 ASN 60 - HD3 LYS 68 lone 1 73 - 1 - HB2 ASN 60 - HD2 LYS 68 lone 1 73 - 1 - HB2 ASN 60 - HD2 LYS 39 lone 0 62 - 1 - Peak 3064 from cnoeabs.peaks (7.90, 1.65, 29.52 ppm; 4.86 A): 6 out of 9 assignments used, quality = 1.00: * H GLU 69 + HD3 LYS 68 OK 85 100 - 85 - 7124/3.5=29, 7125/3.5=19...(15) H GLU 69 + HD2 LYS 68 OK 84 100 - 84 - 7124/3.5=29, 7125/3.5=19...(15) H GLN 72 + HD2 LYS 68 OK 64 98 - 65 - 9557/3.5=19, ~10790=11...(15) H GLN 72 + HD3 LYS 68 OK 64 98 - 65 - 9557/3.5=19, ~10790=11...(15) H ASP 65 + HD3 LYS 68 OK 50 65 - 77 - ~9500=15, ~2856=14...(21) H ASP 65 + HD2 LYS 68 OK 50 65 - 77 - ~9500=15, ~2856=14...(21) H GLU 69 - HD2 LYS 39 OK 35 92 - 39 - 3.6/3044=6, 7127/3.0=6...(11) H GLN 72 - HD2 LYS 39 OK 16 88 - 18 - 9556/1.8=3, 9557/3.6=2...(6) H ASP 65 - HD2 LYS 39 OK 12 55 - 22 - ~9500=5, 4.9/10243=3...(9) Peak 3065 from cnoeabs.peaks (8.19, 2.91, 41.80 ppm; 5.69 A): 4 out of 21 assignments used, quality = 1.00: * H LYS 68 + HE2 LYS 68 OK 93 100 - 93 - 7.2=49, 7107/5.0=27...(22) H LYS 68 + HE3 LYS 68 OK 93 99 - 93 - 7.2=49, 7107/5.0=27...(22) H ASP 36 + HE2 LYS 68 OK 56 100 - 56 - 3021/3.6=12, 8778/5.0=10...(12) H ASP 36 + HE3 LYS 68 OK 56 99 - 56 - 3021/3.6=12, 8778/5.0=10...(12) H LYS 68 - HE3 LYS 94 OK 41 100 - 41 - 7113=5, 4.6/3029=4...(19) H LYS 68 - HE3 LYS 66 OK 38 65 - 58 - 7102/6.1=15, 7078/7.2=13...(16) H GLU 43 - HE2 LYS 68 OK 31 97 - 32 - 3021/3.6=7, 3032/3.6=5...(7) H GLU 43 - HE3 LYS 68 OK 31 96 - 32 - 3021/3.6=7, 3032/3.6=5...(7) H LYS 68 - HE2 LYS 20 OK 30 99 - 30 - 7113=3, 7113/1.8=3...(12) H LYS 68 - HE3 LYS 20 OK 29 98 - 30 - 7113=3, 7113/1.8=3...(12) H GLU 43 - HE3 LYS 94 OK 29 97 - 30 - 6698/7.3=6, 6682/6.0=4...(10) H LYS 68 - HE2 LYS 94 OK 22 57 - 39 - 7113/1.8=4, 4.6/3029=4...(17) H ASP 36 - HE2 LYS 20 OK 16 99 - 16 - 8781/3.6=2, 8780/3.6=2...(7) H ASP 36 - HE3 LYS 20 OK 16 98 - 16 - 8781/3.6=2, 8780/3.6=2...(7) H GLU 43 - HE2 LYS 94 OK 15 52 - 29 - 6698/7.3=6, 6682/6.0=4...(10) H GLU 43 - HE2 LYS 20 OK 14 96 - 14 - 6689/4.7=1, 10610/3.0=1...(5) H GLU 43 - HE3 LYS 20 OK 13 94 - 14 - 6689/4.7=1, 10610/3.0=1...(5) H ASP 36 - HE3 LYS 94 OK 12 100 - 12 - 3.6/12237=2, 4.7/10530=2 H ASP 36 - HE3 LYS 66 OK 12 65 - 18 - 7078/7.2=4, 10774/6.1=3...(5) H GLU 43 - HE3 LYS 66 poor 10 60 - 16 - 7078/7.2=4, 10774/6.1=3...(4) H ASP 36 - HE2 LYS 94 poor 6 57 - 11 - 3.6/12238=2, 4.7/10530=2 Peak 3067 from cnoeabs.peaks (1.84, 2.91, 41.80 ppm; 3.41 A): 2 out of 35 assignments used, quality = 0.95: HB2 LYS 68 + HE3 LYS 68 OK 78 99 - 78 - 5.0=32, 3056/3.0=8...(48) * HB2 LYS 68 + HE2 LYS 68 OK 78 100 - 78 - 5.0=32, 3056/3.0=8...(46) HB2 LYS 68 - HE3 LYS 94 OK 34 100 - 34 - 3006=3, 3006/1.8=3...(16) HB2 LYS 68 - HE2 LYS 20 OK 24 99 - 24 - 3006=3, 3006/1.8=2...(7) HB2 LYS 68 - HE3 LYS 20 OK 24 98 - 24 - 3006=2, 3006/1.8=2...(7) HB3 LYS 90 - HE2 LYS 68 OK 23 99 - 23 - 3023/3.6=5, 3034/3.6=4...(9) HB3 LYS 90 - HE3 LYS 68 OK 23 98 - 23 - 3023/3.6=5, 3034/3.6=4...(9) HB2 LYS 68 - HE2 LYS 94 OK 20 57 - 35 - 3006=3, 3006/1.8=3...(15) HB2 LYS 68 - HE3 LYS 66 OK 18 65 - 28 - 3007=3, 3007/1.8=2...(10) HB2 LYS 53 - HE2 LYS 20 OK 15 99 - 15 - 2396/3.6=2, 2396/3.0=2...(5) HB2 LYS 53 - HE3 LYS 20 OK 15 97 - 15 - 2396/3.6=2, 2396/3.0=2...(5) HB3 LYS 90 - HE3 LYS 94 OK 12 99 - 12 - 3944/1.8=1, ~3933=1, 3006=1 HB2 LYS 53 - HE2 LYS 68 OK 10 100 - 10 - 3023/3.6=2, 3034/3.6=2 HB2 LYS 53 - HE3 LYS 68 OK 10 99 - 10 - 3023/3.6=2, 3034/3.6=2 HB3 LEU 57 - HE2 LYS 68 lone 5 81 - 7 - 3023/3.6=1, ~10263=1, 3034/3.6=1 HB3 LEU 57 - HE3 LYS 68 lone 5 79 - 7 - 3023/3.6=1, ~10263=1, 3034/3.6=1 HG2 ARG 46 - HE2 LYS 68 lone 4 84 - 5 - 3023/3.6=1 HG2 ARG 46 - HE3 LYS 68 lone 4 82 - 5 - 3023/3.6=1 HB3 LYS 90 - HE2 LYS 94 lone 4 56 - 8 - HB3 LYS 90 - HE3 LYS 66 lone 4 64 - 6 - HB3 LEU 57 - HE3 LYS 66 lone 4 46 - 8 - 2621/3.6=1, 2621/3.6=1, ~12319=1 HB3 LYS 90 - HE2 LYS 20 lone 3 98 - 3 - HB3 LYS 90 - HE3 LYS 20 lone 3 97 - 3 - HB2 LYS 53 - HE3 LYS 94 lone 2 100 - 2 - HG2 ARG 46 - HE3 LYS 66 lone 2 48 - 3 - 2087/6.1=2, 4.1/2879=1 HB2 LYS 53 - HE3 LYS 66 lone 1 64 - 2 - HG2 ARG 46 - HE3 LYS 94 lone 1 83 - 1 - HG2 ARG 46 - HE2 LYS 20 lone 1 82 - 1 - HG2 ARG 46 - HE3 LYS 20 lone 1 80 - 1 - HB2 LYS 53 - HE2 LYS 94 lone 1 56 - 2 - HB3 LEU 57 - HE3 LYS 94 lone 1 80 - 1 - HB3 LEU 57 - HE2 LYS 20 lone 1 79 - 1 - HB3 LEU 57 - HE3 LYS 20 lone 1 76 - 1 - HG2 ARG 46 - HE2 LYS 94 lone 0 42 - 1 - HB3 LEU 57 - HE2 LYS 94 lone 0 39 - 1 - Peak 3068 from cnoeabs.peaks (1.87, 2.91, 41.80 ppm; 3.43 A): 5 out of 63 assignments used, quality = 0.99: HB3 LYS 68 + HE3 LYS 68 OK 76 99 - 77 - 5.0=32, 1.8/3007=6...(46) * HB3 LYS 68 + HE2 LYS 68 OK 76 100 - 76 - 5.0=32, 1.8/3006=6...(44) HB2 LYS 20 + HE2 LYS 20 OK 50 64 - 79 - 4.7=38, 1.8/879=7...(47) HB2 LYS 20 + HE3 LYS 20 OK 49 61 - 79 - 4.7=38, 1.8/879=7...(47) HB3 LYS 66 + HE3 LYS 66 OK 47 55 - 85 - 4.7=38, ~2932=10...(38) HB3 LYS 39 - HE2 LYS 68 OK 38 94 - 41 - 3024/3.6=5, 3035/3.6=3...(18) HB3 LYS 39 - HE3 LYS 68 OK 38 92 - 41 - 3024/3.6=5, 3035/3.6=3...(18) HB3 LYS 68 - HE3 LYS 94 OK 35 100 - 35 - 1.8/3006=3, 3018=2...(15) HB3 LYS 66 - HE2 LYS 68 OK 30 92 - 33 - 2906/1.8=3, 2906=3...(18) HB3 LYS 66 - HE3 LYS 68 OK 29 90 - 33 - 2906=3, 2906/1.8=3...(18) HB3 LYS 68 - HE2 LYS 20 OK 24 99 - 24 - 1.8/3006=2, 3018=2...(9) HB3 LYS 68 - HE3 LYS 20 OK 24 98 - 24 - 1.8/3006=2, 3018=2...(9) HB3 LYS 12 - HE3 LYS 66 OK 23 63 - 37 - 2933/2.9=4, 2944/2.9=4...(17) HB2 LYS 12 - HE3 LYS 66 OK 22 60 - 37 - 2933/2.9=4, 2944/2.9=4...(16) HB2 LYS 20 - HE3 LYS 94 OK 22 65 - 34 - 1.8/879=3, 3.0/901=2...(19) HB2 LYS 20 - HE2 LYS 68 OK 20 65 - 31 - 1.8/879=3, 3.0/901=2...(16) HB3 LYS 68 - HE2 LYS 94 OK 20 57 - 35 - 1.8/3006=3, 2.9/3029=2...(13) HB2 LYS 20 - HE3 LYS 68 OK 20 64 - 31 - 1.8/879=3, 3.0/901=2...(16) HB3 LYS 68 - HE3 LYS 66 OK 19 65 - 29 - 2944/2.9=2, 1.8/3007=2...(12) HB3 LYS 12 - HE2 LYS 68 OK 17 99 - 17 - 3024/3.6=2, 3035/3.6=1...(4) HB3 LYS 12 - HE3 LYS 68 OK 17 98 - 17 - 3024/3.6=2, 3035/3.6=1...(4) HB2 LYS 12 - HE2 LYS 68 OK 16 97 - 17 - 3024/3.6=2, 3035/3.6=1 HB2 LYS 12 - HE3 LYS 68 OK 16 96 - 17 - 3024/3.6=2, 3035/3.6=1 HB3 LYS 66 - HE3 LYS 94 OK 13 91 - 15 - 2903/3.0=1, 2906=1...(5) HB2 LYS 20 - HE2 LYS 94 OK 11 31 - 35 - 1.8/880=3, 3.0/902=2...(20) HB3 LYS 66 - HE2 LYS 20 poor 10 90 - 11 - HB3 LYS 66 - HE3 LYS 20 poor 10 88 - 11 - HB3 LYS 12 - HE3 LYS 94 lone 7 99 - 7 - HB2 LYS 12 - HE3 LYS 94 lone 7 97 - 7 - HB3 LYS 39 - HE3 LYS 94 lone 7 94 - 7 - HB3 LYS 66 - HE2 LYS 94 poor 7 48 - 15 - 2903/3.0=1, 2906/1.8=1, ~2891=1 HB VAL 5 - HE2 LYS 68 lone 6 92 - 7 - 10368/6.3=1, 3024/3.6=1 HB VAL 5 - HE3 LYS 68 lone 6 90 - 7 - 10368/6.3=1, 3024/3.6=1 HB3 LYS 39 - HE3 LYS 66 lone 5 57 - 8 - HB VAL 54 - HE2 LYS 68 lone 4 81 - 5 - HB VAL 54 - HE3 LYS 68 lone 4 79 - 5 - HB VAL 54 - HE2 LYS 20 lone 4 79 - 5 - ~10206=1 HB VAL 54 - HE3 LYS 20 lone 4 76 - 5 - ~10206=1 HB3 LYS 12 - HE2 LYS 94 lone 4 55 - 7 - HB3 LYS 39 - HE2 LYS 94 lone 4 49 - 7 - HB2 LYS 12 - HE2 LYS 94 lone 4 52 - 7 - HB3 GLU 104 - HE3 LYS 68 lone 3 99 - 3 - HB3 GLU 104 - HE2 LYS 68 lone 3 100 - 3 - HB2 LYS 20 - HE3 LYS 66 lone 3 36 - 7 - 4.0/6313=1 HB3 GLU 104 - HE3 LYS 66 lone 2 65 - 3 - HB3 LYS 12 - HE2 LYS 20 lone 2 98 - 2 - HB3 LYS 39 - HE2 LYS 20 lone 2 92 - 2 - HB3 LYS 12 - HE3 LYS 20 lone 2 96 - 2 - HB2 LYS 12 - HE2 LYS 20 lone 2 96 - 2 - HB3 LYS 39 - HE3 LYS 20 lone 2 90 - 2 - HB2 LYS 12 - HE3 LYS 20 lone 2 94 - 2 - HB VAL 5 - HE3 LYS 66 lone 2 55 - 3 - HB3 GLU 104 - HE3 LYS 94 lone 2 100 - 2 - HB3 GLU 104 - HE2 LYS 20 lone 1 99 - 1 - HB3 GLU 104 - HE3 LYS 20 lone 1 98 - 1 - HB VAL 5 - HE3 LYS 94 lone 1 91 - 1 - HB VAL 54 - HE3 LYS 94 lone 1 80 - 1 - HB3 GLU 104 - HE2 LYS 94 lone 1 57 - 1 - HB VAL 54 - HE3 LYS 66 lone 1 46 - 2 - HB VAL 5 - HE2 LYS 20 lone 1 90 - 1 - HB VAL 5 - HE3 LYS 20 lone 1 88 - 1 - HB VAL 5 - HE2 LYS 94 lone 0 48 - 1 - HB VAL 54 - HE2 LYS 94 lone 0 39 - 1 - Peak 3069 from cnoeabs.peaks (1.64, 2.91, 41.80 ppm; 2.65 A): 7 out of 77 assignments used, quality = 1.00: HD3 LYS 68 + HE2 LYS 68 OK 76 94 - 81 - 3.0=69, 1.8/3062=4...(14) HD3 LYS 68 + HE3 LYS 68 OK 75 92 - 81 - 3.0=69, 1.8/3063=4...(14) HD2 LYS 68 + HE2 LYS 68 OK 75 92 - 81 - 3.0=69, 1.8/3062=4...(14) HD2 LYS 68 + HE3 LYS 68 OK 73 90 - 81 - 3.0=69, 1.8/3062=4...(14) * HG2 LYS 68 + HE2 LYS 68 OK 65 100 - 65 - 3.6=40, 2.9/3078=3...(28) HG2 LYS 68 + HE3 LYS 68 OK 65 99 - 65 - 3.6=40, 2.9/3078=3...(28) HD2 LYS 94 + HE3 LYS 94 OK 53 65 - 81 - 3.0=72, 4238/1.8=4...(16) HD2 LYS 94 - HE2 LYS 94 OK 25 31 - 81 - 3.0=72, 4239/1.8=4...(14) HG2 LYS 68 - HE3 LYS 94 OK 21 100 - 21 - 3029=2, 3029/1.8=2...(4) HD3 LYS 39 - HE3 LYS 68 OK 19 99 - 19 - 1739/3.6=3, 1738/5.0=2 HD3 LYS 39 - HE2 LYS 68 OK 18 100 - 19 - 1739/3.6=3, 1738/5.0=2 HD3 LYS 68 - HE3 LYS 94 OK 18 94 - 19 - 3.0/3029=1, 3062=1...(4) HD2 LYS 68 - HE3 LYS 94 OK 17 91 - 19 - 3.0/3029=1, 3062=1...(4) HD2 LYS 94 - HE2 LYS 20 OK 17 64 - 26 - 1.8/4250=3, 4239=2...(8) HD2 LYS 94 - HE3 LYS 20 OK 16 61 - 26 - 1.8/4250=3, 4239=2...(8) HD2 LYS 94 - HE3 LYS 68 OK 14 64 - 23 - 1.8/4250=2, 4239=2...(8) HD2 LYS 94 - HE2 LYS 68 OK 14 65 - 21 - 1.8/4250=2, 4239=1...(8) HG2 LYS 68 - HE2 LYS 20 OK 14 99 - 14 - 3029=1, 3029/1.8=1 HG2 LYS 68 - HE3 LYS 20 OK 14 98 - 14 - 3029=1, 3029/1.8=1 HD2 LYS 39 - HE2 LYS 68 OK 13 87 - 15 - 3062=1 HD2 LYS 39 - HE3 LYS 68 OK 13 85 - 15 - 3063=1 HG2 LYS 68 - HE2 LYS 94 OK 13 57 - 22 - 3029=2, 3029/1.8=2...(6) HD3 LYS 68 - HE2 LYS 20 OK 12 92 - 13 - HD3 LYS 68 - HE3 LYS 20 OK 12 90 - 13 - HD2 LYS 68 - HE2 LYS 20 OK 12 90 - 13 - HD2 LYS 68 - HE3 LYS 20 OK 12 88 - 13 - HG3 LYS 47 - HE3 LYS 94 poor 10 57 - 18 - 4247/3.0=2, ~2162=2...(6) HD3 LYS 68 - HE2 LYS 94 poor 10 49 - 20 - 3.0/3029=1, 3062=1, 3.0/3040=1 HD2 LYS 68 - HE2 LYS 94 poor 9 48 - 20 - 3.0/3029=1, 3062=1, 3.0/3040=1 HG2 LYS 68 - HE3 LYS 66 poor 9 65 - 14 - 3030=1, 3030/1.8=1 HD3 LYS 68 - HE3 LYS 66 poor 8 57 - 14 - HD2 LYS 68 - HE3 LYS 66 poor 7 55 - 14 - HB2 LYS 40 - HE2 LYS 68 lone 7 99 - 7 - 1788/3.6=1 HB2 LYS 40 - HE3 LYS 68 lone 6 98 - 7 - 1788/3.6=1 HB2 LYS 40 - HE2 LYS 20 lone 5 98 - 6 - HB2 LYS 40 - HE3 LYS 20 lone 5 97 - 6 - HD3 LYS 39 - HE3 LYS 94 lone 5 100 - 4 - HG3 LYS 47 - HE2 LYS 94 poor 5 26 - 18 - 4247/3.0=2, ~2162=2...(6) HG3 LYS 47 - HE2 LYS 20 lone 4 56 - 7 - HG3 LYS 47 - HE3 LYS 20 lone 4 54 - 7 - HD2 LYS 94 - HE3 LYS 66 lone 3 36 - 10 - 1.8/4250=1 HD2 LYS 39 - HE3 LYS 94 lone 3 86 - 3 - HD3 LYS 39 - HE2 LYS 94 lone 3 57 - 4 - HB3 LEU 6 - HE2 LYS 68 lone 2 98 - 2 - HB3 LEU 6 - HE3 LYS 68 lone 2 97 - 2 - HB ILE 76 - HE2 LYS 68 lone 2 100 - 2 - HB ILE 76 - HE3 LYS 68 lone 2 99 - 2 - HB2 LYS 40 - HE3 LYS 94 lone 2 99 - 2 - HB ILE 76 - HE3 LYS 66 lone 2 65 - 3 - HD3 LYS 39 - HE3 LYS 66 lone 2 65 - 3 - HD2 LYS 39 - HE2 LYS 94 lone 1 44 - 3 - HD3 LYS 39 - HE2 LYS 20 lone 1 99 - 1 - HD3 LYS 39 - HE3 LYS 20 lone 1 98 - 1 - HB3 ARG 79 - HE2 LYS 68 lone 1 87 - 1 - HB ILE 76 - HE2 LYS 20 lone 1 99 - 1 - HB3 ARG 79 - HE3 LYS 68 lone 1 85 - 1 - HB ILE 76 - HE3 LYS 20 lone 1 98 - 1 - HD2 LYS 39 - HE3 LYS 66 lone 1 50 - 2 - HB2 LYS 40 - HE2 LYS 94 lone 1 56 - 2 - HD2 LYS 39 - HE2 LYS 20 lone 1 85 - 1 - HB ILE 76 - HE3 LYS 94 lone 1 100 - 1 - HD2 LYS 39 - HE3 LYS 20 lone 1 83 - 1 - HB3 ARG 79 - HE3 LYS 94 lone 1 86 - 1 - HG3 LYS 47 - HE2 LYS 68 lone 1 57 - 1 - HG3 LYS 47 - HE3 LYS 68 lone 1 56 - 1 - HG3 LYS 47 - HE3 LYS 66 lone 1 31 - 2 - HB ILE 76 - HE2 LYS 94 lone 0 57 - 1 - HB3 ARG 79 - HE3 LYS 66 lone 0 50 - 1 - HB2 LYS 40 - HE3 LYS 66 lone 0 64 - 1 - HB3 ARG 79 - HE2 LYS 94 lone 0 44 - 1 - HB3 LEU 6 - HE3 LYS 94 lone 0 98 - 0 - HB3 LEU 6 - HE2 LYS 20 lone 0 97 - 0 - HB3 LEU 6 - HE3 LYS 20 lone 0 95 - 0 - HB3 ARG 79 - HE2 LYS 20 lone 0 85 - 0 - HB3 ARG 79 - HE3 LYS 20 lone 0 83 - 0 - HB3 LEU 6 - HE3 LYS 66 lone 0 61 - 0 - HB3 LEU 6 - HE2 LYS 94 lone 0 54 - 0 - Peak 3070 from cnoeabs.peaks (1.35, 2.91, 41.80 ppm; 3.43 A): 3 out of 84 assignments used, quality = 1.00: * HG3 LYS 68 + HE2 LYS 68 OK 95 100 - 95 - 3.6=86, 2.9/3078=5...(39) HG3 LYS 68 + HE3 LYS 68 OK 94 99 - 95 - 3.6=86, 2.9/3078=5...(41) HG2 LYS 94 + HE3 LYS 94 OK 82 91 - 89 - 3.9=69, 4234/3.0=10...(27) HG2 LYS 94 - HE2 LYS 94 OK 42 48 - 89 - 3.9=69, 4234/3.0=10...(32) HG2 LYS 94 - HE2 LYS 20 OK 42 90 - 46 - 1.8/4268=4, 3.0/4239=3...(25) HG2 LYS 39 - HE2 LYS 68 OK 41 99 - 42 - 3026/3.6=6, 1708/3.0=3...(16) HG2 LYS 39 - HE3 LYS 68 OK 41 98 - 42 - 3026/3.6=6, 1708/3.0=3...(16) HG2 LYS 94 - HE3 LYS 20 OK 40 88 - 46 - 1.8/4268=3, 3.0/4239=3...(24) HG2 LYS 94 - HE3 LYS 68 OK 39 90 - 43 - 1.8/4268=3, 2.9/4206=3...(22) HG3 LYS 68 - HE3 LYS 94 OK 38 100 - 38 - 3040=3, 1.8/3029=3...(18) HG2 LYS 94 - HE2 LYS 68 OK 37 92 - 41 - 1.8/4268=3, 2.9/4206=3...(21) HG3 LYS 68 - HE2 LYS 20 OK 26 99 - 26 - 3040=2, 1.8/3029=2...(7) HG3 LYS 68 - HE3 LYS 20 OK 25 98 - 26 - 3040=2, 1.8/3029=2...(7) HG3 LYS 68 - HE2 LYS 94 OK 23 57 - 41 - 3040=3, 1.8/3029=3...(18) HB3 LEU 27 - HE3 LYS 94 OK 22 99 - 23 - 1200/3.0=4, 4234/3.0=3...(9) QB ALA 25 - HE3 LYS 94 OK 17 91 - 19 - 8622/3.0=7, 8622/3.0=4...(5) HG3 LYS 68 - HE3 LYS 66 OK 17 65 - 26 - 3041=2, 1.8/3030=2...(11) QB ALA 67 - HE3 LYS 94 OK 16 86 - 19 - 4234/3.0=2, 4245/3.0=2...(10) HG3 LYS 40 - HE2 LYS 68 OK 15 92 - 17 - 1819/3.0=3, 1819/3.0=3...(4) HG3 LYS 40 - HE3 LYS 68 OK 15 90 - 17 - 1819/3.0=3, 1819/3.0=3...(4) QB ALA 67 - HE2 LYS 68 OK 14 87 - 16 - 2985/7.2=3, 10784/5.0=2...(8) QB ALA 67 - HE3 LYS 68 OK 14 85 - 16 - 2985/7.2=3, 10784/5.0=2...(7) HG2 LYS 39 - HE3 LYS 94 OK 13 99 - 13 - 12072/4.8=1, 4234/3.0=1 QB ALA 67 - HE3 LYS 66 OK 13 50 - 25 - ~2951=3, 10784/4.7=3...(13) HB3 LEU 27 - HE2 LYS 94 OK 12 55 - 22 - 1200/3.0=4, 4234/3.0=3...(9) HG2 LYS 94 - HE3 LYS 66 OK 11 55 - 19 - 4215/2.9=2, 3.0/4250=1...(7) HG3 LYS 40 - HE2 LYS 20 poor 9 90 - 10 - 1820/3.6=1, 1820/3.0=1 HG3 LYS 40 - HE3 LYS 20 poor 9 88 - 10 - 1820/3.6=1, 1820/3.0=1 QB ALA 25 - HE2 LYS 94 poor 9 48 - 18 - 8622/3.0=7, 8622/3.0=4...(5) QB ALA 67 - HE2 LYS 94 poor 8 44 - 19 - 4234/3.0=2, 4245/3.0=2...(10) HG2 LYS 39 - HE2 LYS 94 poor 7 56 - 13 - 12072/4.8=1, 4234/3.0=1 HB3 LEU 27 - HE3 LYS 68 lone 6 98 - 6 - HB3 LEU 27 - HE2 LYS 68 lone 6 99 - 6 - HB3 LEU 2 - HE3 LYS 94 lone 6 73 - 8 - 4234/3.0=1, ~11009=1...(4) QB ALA 89 - HE3 LYS 94 lone 6 91 - 6 - 4234/3.0=1, 4245/3.0=1 HG2 LYS 39 - HE3 LYS 66 lone 5 64 - 8 - HG LEU 14 - HE2 LYS 68 lone 5 100 - 5 - 3026/3.6=1 HG LEU 14 - HE3 LYS 68 lone 5 99 - 5 - 3026/3.6=1 HB3 LEU 27 - HE2 LYS 20 lone 5 98 - 5 - HB3 LEU 27 - HE3 LYS 20 lone 5 96 - 5 - HG12 ILE 8 - HE2 LYS 20 lone 4 79 - 6 - 12204/4.7=2, 307/4.7=1 HG12 ILE 8 - HE3 LYS 20 lone 4 76 - 6 - 12204/4.7=2, 307/4.7=1 HB3 LEU 27 - HE3 LYS 66 lone 4 63 - 6 - 1200/2.9=1 HB2 LYS 82 - HE3 LYS 66 lone 4 61 - 6 - 3651/4.7=1 QB ALA 67 - HE2 LYS 20 lone 4 85 - 4 - HB2 LYS 82 - HE2 LYS 68 lone 3 98 - 3 - QB ALA 67 - HE3 LYS 20 lone 3 83 - 4 - HB2 LYS 82 - HE3 LYS 68 lone 3 97 - 4 - HG2 LYS 39 - HE2 LYS 20 lone 3 98 - 3 - HG2 LYS 39 - HE3 LYS 20 lone 3 97 - 3 - QB ALA 89 - HE2 LYS 94 lone 3 48 - 6 - 4234/3.0=1, 4245/3.0=1 HB2 LYS 82 - HE3 LYS 94 lone 3 98 - 3 - HG LEU 14 - HE3 LYS 94 lone 3 100 - 3 - HB3 LEU 2 - HE2 LYS 94 lone 3 35 - 8 - 4234/3.0=1, ~11009=1...(4) QB ALA 25 - HE2 LYS 68 lone 3 92 - 3 - QB ALA 25 - HE3 LYS 68 lone 3 90 - 3 - HG LEU 14 - HE3 LYS 66 lone 2 65 - 4 - 8407/6.1=1 HB3 LEU 2 - HE3 LYS 66 lone 2 41 - 6 - QB ALA 25 - HE3 LYS 66 lone 2 55 - 4 - QB ALA 89 - HE2 LYS 68 lone 2 92 - 2 - QB ALA 89 - HE3 LYS 68 lone 2 90 - 2 - HG3 LYS 40 - HE3 LYS 94 lone 2 91 - 2 - HG LEU 14 - HE2 LYS 20 lone 2 99 - 2 - HG LEU 14 - HE3 LYS 20 lone 2 98 - 2 - QB ALA 25 - HE2 LYS 20 lone 2 90 - 2 - QB ALA 25 - HE3 LYS 20 lone 2 88 - 2 - HG12 ILE 8 - HE2 LYS 68 lone 2 81 - 2 - HG12 ILE 8 - HE3 LYS 68 lone 1 79 - 2 - QB ALA 89 - HE3 LYS 66 lone 1 55 - 3 - HG LEU 14 - HE2 LYS 94 lone 1 57 - 3 - HB2 LYS 82 - HE2 LYS 94 lone 1 54 - 3 - HB3 LEU 2 - HE2 LYS 68 lone 1 73 - 2 - HB3 LEU 2 - HE3 LYS 68 lone 1 71 - 2 - HG12 ILE 8 - HE3 LYS 94 lone 1 80 - 2 - HB2 LYS 82 - HE2 LYS 20 lone 1 97 - 1 - HB2 LYS 82 - HE3 LYS 20 lone 1 95 - 1 - QB ALA 89 - HE2 LYS 20 lone 1 90 - 1 - QB ALA 89 - HE3 LYS 20 lone 1 88 - 1 - HG3 LYS 40 - HE2 LYS 94 lone 1 48 - 2 - HG12 ILE 8 - HE3 LYS 66 lone 1 46 - 2 - HB3 LEU 2 - HE2 LYS 20 lone 1 71 - 1 - HB3 LEU 2 - HE3 LYS 20 lone 1 69 - 1 - HG3 LYS 40 - HE3 LYS 66 lone 1 55 - 1 - HG12 ILE 8 - HE2 LYS 94 lone 1 39 - 1 - Peak 3071 from cnoeabs.peaks (1.65, 2.91, 41.80 ppm; 2.65 A): 6 out of 84 assignments used, quality = 1.00: * HD2 LYS 68 + HE2 LYS 68 OK 81 100 - 81 - 3.0=69, 3063/1.8=4...(15) HD3 LYS 68 + HE2 LYS 68 OK 81 100 - 81 - 3.0=69, 3063/1.8=4...(15) HD2 LYS 68 + HE3 LYS 68 OK 81 99 - 81 - 3.0=69, 3062/1.8=4...(15) HD3 LYS 68 + HE3 LYS 68 OK 81 99 - 81 - 3.0=69, 3062/1.8=4...(15) HG2 LYS 68 + HE2 LYS 68 OK 60 92 - 65 - 3.6=40, 2.9/3078=3...(28) HG2 LYS 68 + HE3 LYS 68 OK 59 90 - 65 - 3.6=40, 2.9/3078=3...(28) HD2 LYS 68 - HE3 LYS 94 OK 19 100 - 19 - 3062=1, 3.0/3029=1...(4) HD3 LYS 68 - HE3 LYS 94 OK 19 100 - 19 - 3062=1, 3.0/3029=1...(4) HG2 LYS 68 - HE3 LYS 94 OK 18 91 - 19 - 1.8/3040=1, 3029=1...(4) HD3 LYS 39 - HE2 LYS 68 OK 16 90 - 18 - 1739/3.6=3, 1738/5.0=1 HD2 LYS 39 - HE3 LYS 68 OK 16 99 - 16 - 3052=1, 3038/3.6=1, 3045/5.0=1 HD3 LYS 39 - HE3 LYS 68 OK 15 88 - 18 - 1739/3.6=3, 1738/5.0=1 HD2 LYS 39 - HE2 LYS 68 OK 15 100 - 16 - 3051=1, 3038/3.6=1, 3045/5.0=1 HD2 LYS 68 - HE2 LYS 20 OK 13 99 - 13 - 3062=1 HD3 LYS 68 - HE2 LYS 20 OK 13 99 - 13 - 3062=1 HD2 LYS 68 - HE3 LYS 20 OK 13 98 - 13 - 3051=1 HD3 LYS 68 - HE3 LYS 20 OK 13 98 - 13 - 3062=1 HG2 LYS 68 - HE2 LYS 20 OK 12 90 - 13 - HG2 LYS 68 - HE3 LYS 20 OK 12 88 - 13 - HD2 LYS 68 - HE2 LYS 94 OK 11 57 - 20 - 3051=1, 3.0/3029=1, 3.0/3040=1 HD3 LYS 68 - HE2 LYS 94 OK 11 57 - 20 - 3062=1, 3.0/3029=1...(4) HG2 LYS 68 - HE2 LYS 94 poor 10 48 - 20 - 1.8/3040=1, 3029=1...(6) HD2 LYS 68 - HE3 LYS 66 poor 9 65 - 14 - HD3 LYS 68 - HE3 LYS 66 poor 9 65 - 14 - HG2 LYS 68 - HE3 LYS 66 poor 7 55 - 14 - HB2 LYS 40 - HE2 LYS 68 lone 7 98 - 7 - 1788/3.6=1 HB2 LYS 40 - HE3 LYS 68 lone 6 97 - 6 - 1788/3.6=1 HB2 LYS 40 - HE2 LYS 20 lone 5 97 - 6 - HB2 LYS 40 - HE3 LYS 20 lone 5 95 - 5 - HD2 LYS 39 - HE3 LYS 94 lone 4 100 - 3 - HD3 LYS 39 - HE3 LYS 94 lone 3 89 - 4 - HB3 LEU 6 - HE2 LYS 68 lone 2 99 - 2 - HB3 LEU 6 - HE3 LYS 68 lone 2 98 - 2 - HD2 LYS 39 - HE2 LYS 94 lone 2 57 - 3 - HD3 LYS 73 - HE3 LYS 66 lone 2 48 - 4 - HB ILE 76 - HE2 LYS 68 lone 2 96 - 2 - HB2 LYS 40 - HE3 LYS 94 lone 2 98 - 2 - HB ILE 76 - HE3 LYS 68 lone 2 94 - 2 - HD2 LYS 73 - HE3 LYS 66 lone 2 43 - 4 - HD3 LYS 39 - HE2 LYS 94 lone 2 46 - 4 - HB ILE 52 - HE2 LYS 20 lone 2 64 - 3 - HB ILE 76 - HE3 LYS 66 lone 2 58 - 3 - HB ILE 52 - HE3 LYS 20 lone 2 61 - 3 - HD2 LYS 39 - HE3 LYS 66 lone 1 65 - 2 - HD3 LYS 39 - HE3 LYS 66 lone 1 53 - 2 - HB3 ARG 79 - HE2 LYS 68 lone 1 100 - 1 - HB3 ARG 79 - HE3 LYS 68 lone 1 99 - 1 - HD2 LYS 39 - HE2 LYS 20 lone 1 99 - 1 - HD2 LYS 39 - HE3 LYS 20 lone 1 98 - 1 - HD3 LYS 39 - HE2 LYS 20 lone 1 88 - 1 - HD3 LYS 39 - HE3 LYS 20 lone 1 85 - 1 - HB3 ARG 79 - HE3 LYS 94 lone 1 100 - 1 - HB2 LYS 40 - HE2 LYS 94 lone 1 54 - 2 - HB ILE 76 - HE2 LYS 20 lone 1 94 - 1 - HB ILE 76 - HE3 LYS 20 lone 1 92 - 1 - HD3 LYS 73 - HE3 LYS 94 lone 1 83 - 1 - HD3 LYS 73 - HE2 LYS 20 lone 1 82 - 1 - HD2 LYS 73 - HE3 LYS 94 lone 1 77 - 1 - HD3 LYS 73 - HE3 LYS 20 lone 1 80 - 1 - HD2 LYS 73 - HE2 LYS 20 lone 1 75 - 1 - HD2 LYS 73 - HE3 LYS 20 lone 1 73 - 1 - HB3 ARG 79 - HE3 LYS 66 lone 1 65 - 1 - HB ILE 76 - HE3 LYS 94 lone 0 95 - 0 - HD3 LYS 73 - HE2 LYS 68 lone 0 84 - 1 - HB3 ARG 79 - HE2 LYS 94 lone 0 57 - 1 - HD3 LYS 73 - HE3 LYS 68 lone 0 82 - 1 - HD2 LYS 73 - HE2 LYS 68 lone 0 77 - 1 - HD2 LYS 73 - HE3 LYS 68 lone 0 75 - 1 - HD3 LYS 73 - HE2 LYS 94 lone 0 42 - 1 - HB ILE 52 - HE2 LYS 68 lone 0 65 - 1 - HB2 LYS 40 - HE3 LYS 66 lone 0 61 - 1 - HB ILE 52 - HE3 LYS 68 lone 0 64 - 1 - HD2 LYS 73 - HE2 LYS 94 lone 0 37 - 1 - HB3 LEU 6 - HE3 LYS 94 lone 0 99 - 0 - HB3 ARG 79 - HE2 LYS 20 lone 0 99 - 0 - HB3 ARG 79 - HE3 LYS 20 lone 0 98 - 0 - HB3 LEU 6 - HE2 LYS 20 lone 0 98 - 0 - HB3 LEU 6 - HE3 LYS 20 lone 0 97 - 0 - HB ILE 76 - HE2 LYS 94 lone 0 51 - 0 - HB ILE 52 - HE3 LYS 94 lone 0 65 - 0 - HB3 LEU 6 - HE3 LYS 66 lone 0 64 - 0 - HB3 LEU 6 - HE2 LYS 94 lone 0 56 - 0 - HB ILE 52 - HE3 LYS 66 lone 0 36 - 0 - HB ILE 52 - HE2 LYS 94 lone 0 31 - 0 - Peak 3072 from cnoeabs.peaks (1.65, 2.91, 41.80 ppm; 2.65 A): 6 out of 84 assignments used, quality = 1.00: * HD3 LYS 68 + HE2 LYS 68 OK 81 100 - 81 - 3.0=69, 3063/1.8=4...(15) HD2 LYS 68 + HE2 LYS 68 OK 81 100 - 81 - 3.0=69, 3063/1.8=4...(15) HD3 LYS 68 + HE3 LYS 68 OK 81 99 - 81 - 3.0=69, 3062/1.8=4...(15) HD2 LYS 68 + HE3 LYS 68 OK 81 99 - 81 - 3.0=69, 3062/1.8=4...(15) HG2 LYS 68 + HE2 LYS 68 OK 61 94 - 65 - 3.6=40, 2.9/3078=3...(28) HG2 LYS 68 + HE3 LYS 68 OK 60 92 - 65 - 3.6=40, 2.9/3078=3...(28) HD2 LYS 68 - HE3 LYS 94 OK 19 100 - 19 - 3062=1, 3.0/3029=1...(4) HD3 LYS 68 - HE3 LYS 94 OK 19 100 - 19 - 3062=1, 3.0/3029=1...(4) HG2 LYS 68 - HE3 LYS 94 OK 18 94 - 19 - 3029=1, 1.8/3040=1...(4) HD3 LYS 39 - HE2 LYS 68 OK 16 92 - 18 - 1739/3.6=3, 1738/5.0=1 HD3 LYS 39 - HE3 LYS 68 OK 16 90 - 18 - 1739/3.6=3, 1738/5.0=1 HD2 LYS 39 - HE3 LYS 68 OK 15 99 - 16 - 3052=1, 3038/3.6=1, 3045/5.0=1 HD2 LYS 39 - HE2 LYS 68 OK 15 100 - 16 - 3051=1, 3038/3.6=1, 3045/5.0=1 HD3 LYS 68 - HE2 LYS 20 OK 13 99 - 13 - 3062=1 HD2 LYS 68 - HE2 LYS 20 OK 13 99 - 13 - 3062=1 HD3 LYS 68 - HE3 LYS 20 OK 13 98 - 13 - 3062=1 HD2 LYS 68 - HE3 LYS 20 OK 13 98 - 13 - 3062=1 HG2 LYS 68 - HE2 LYS 20 OK 12 92 - 13 - 3029=1, 3029/1.8=1 HG2 LYS 68 - HE3 LYS 20 OK 12 90 - 13 - 3029=1, 3029/1.8=1 HD3 LYS 68 - HE2 LYS 94 OK 11 57 - 20 - 3062=1, 3.0/3029=1...(4) HD2 LYS 68 - HE2 LYS 94 OK 11 57 - 20 - 3051=1, 3.0/3029=1, 3.0/3040=1 HG2 LYS 68 - HE2 LYS 94 OK 10 49 - 20 - 3029=1, 3029/1.8=1...(6) HD3 LYS 68 - HE3 LYS 66 poor 9 65 - 14 - HD2 LYS 68 - HE3 LYS 66 poor 9 65 - 14 - HG2 LYS 68 - HE3 LYS 66 poor 8 57 - 14 - HB2 LYS 40 - HE2 LYS 68 lone 7 99 - 7 - 1788/3.6=1 HB2 LYS 40 - HE3 LYS 68 lone 6 98 - 7 - 1788/3.6=1 HB2 LYS 40 - HE2 LYS 20 lone 5 98 - 6 - HB2 LYS 40 - HE3 LYS 20 lone 5 96 - 6 - HD2 LYS 39 - HE3 LYS 94 lone 4 100 - 3 - HD3 LYS 39 - HE3 LYS 94 lone 3 91 - 4 - HB3 LEU 6 - HE2 LYS 68 lone 2 100 - 2 - HB3 LEU 6 - HE3 LYS 68 lone 2 99 - 2 - HD2 LYS 39 - HE2 LYS 94 lone 2 56 - 3 - HB ILE 76 - HE2 LYS 68 lone 2 97 - 2 - HB2 LYS 40 - HE3 LYS 94 lone 2 99 - 2 - HB ILE 76 - HE3 LYS 68 lone 2 96 - 2 - HD3 LYS 73 - HE3 LYS 66 lone 2 46 - 4 - HD3 LYS 39 - HE2 LYS 94 lone 2 48 - 4 - HB ILE 76 - HE3 LYS 66 lone 2 60 - 3 - HD2 LYS 73 - HE3 LYS 66 lone 2 41 - 4 - HB ILE 52 - HE2 LYS 20 lone 1 60 - 2 - HB ILE 52 - HE3 LYS 20 lone 1 58 - 2 - HD2 LYS 39 - HE3 LYS 66 lone 1 64 - 2 - HD3 LYS 39 - HE3 LYS 66 lone 1 55 - 2 - HB3 ARG 79 - HE2 LYS 68 lone 1 100 - 1 - HB3 ARG 79 - HE3 LYS 68 lone 1 99 - 1 - HD3 LYS 39 - HE2 LYS 20 lone 1 90 - 1 - HD2 LYS 39 - HE2 LYS 20 lone 1 99 - 1 - HD2 LYS 39 - HE3 LYS 20 lone 1 97 - 1 - HD3 LYS 39 - HE3 LYS 20 lone 1 88 - 1 - HB2 LYS 40 - HE2 LYS 94 lone 1 55 - 2 - HB3 ARG 79 - HE3 LYS 94 lone 1 100 - 1 - HB ILE 76 - HE2 LYS 20 lone 1 96 - 1 - HB ILE 76 - HE3 LYS 20 lone 1 94 - 1 - HD3 LYS 73 - HE3 LYS 94 lone 1 80 - 1 - HD3 LYS 73 - HE2 LYS 20 lone 1 79 - 1 - HD2 LYS 73 - HE3 LYS 94 lone 1 73 - 1 - HD3 LYS 73 - HE3 LYS 20 lone 1 76 - 1 - HD2 LYS 73 - HE2 LYS 20 lone 1 71 - 1 - HB3 ARG 79 - HE3 LYS 66 lone 1 64 - 1 - HD2 LYS 73 - HE3 LYS 20 lone 1 69 - 1 - HB ILE 76 - HE3 LYS 94 lone 0 97 - 0 - HB3 ARG 79 - HE2 LYS 94 lone 0 56 - 1 - HD3 LYS 73 - HE2 LYS 68 lone 0 81 - 1 - HD3 LYS 73 - HE3 LYS 68 lone 0 79 - 1 - HD2 LYS 73 - HE2 LYS 68 lone 0 73 - 0 - HD2 LYS 73 - HE3 LYS 68 lone 0 71 - 0 - HB2 LYS 40 - HE3 LYS 66 lone 0 63 - 1 - HD3 LYS 73 - HE2 LYS 94 lone 0 39 - 1 - HB ILE 52 - HE2 LYS 68 lone 0 61 - 1 - HB ILE 52 - HE3 LYS 68 lone 0 60 - 1 - HB3 LEU 6 - HE3 LYS 94 lone 0 100 - 0 - HD2 LYS 73 - HE2 LYS 94 lone 0 35 - 1 - HB3 ARG 79 - HE2 LYS 20 lone 0 99 - 0 - HB3 ARG 79 - HE3 LYS 20 lone 0 97 - 0 - HB3 LEU 6 - HE2 LYS 20 lone 0 99 - 0 - HB3 LEU 6 - HE3 LYS 20 lone 0 97 - 0 - HB ILE 76 - HE2 LYS 94 lone 0 52 - 0 - HB3 LEU 6 - HE3 LYS 66 lone 0 64 - 0 - HB ILE 52 - HE3 LYS 94 lone 0 61 - 0 - HB3 LEU 6 - HE2 LYS 94 lone 0 56 - 0 - HB ILE 52 - HE3 LYS 66 lone 0 33 - 0 - HB ILE 52 - HE2 LYS 94 lone 0 28 - 0 - Peak 3073 from cnoeabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HE2 LYS 68 + HE2 LYS 68 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 99 99 - 100 HE3 LYS 68 + HE3 LYS 68 OK 99 99 - 100 HE3 LYS 20 + HE3 LYS 20 OK 97 97 - 100 HE3 LYS 66 + HE3 LYS 66 OK 57 57 - 100 HE2 LYS 94 + HE2 LYS 94 OK 48 48 - 100 Peak 3074 from cnoeabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 6 out of 7 assignments used, quality = 1.00: HE2 LYS 68 + HE2 LYS 68 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE3 LYS 68 + HE3 LYS 68 OK 99 99 - 100 HE2 LYS 20 + HE2 LYS 20 OK 98 98 - 100 HE3 LYS 20 + HE3 LYS 20 OK 96 96 - 100 HE3 LYS 66 + HE3 LYS 66 OK 60 60 - 100 HE2 LYS 94 - HE2 LYS 94 OK 44 44 - 100 Reference assignment not found: HE3 LYS 68 - HE2 LYS 68 Peak 3075 from cnoeabs.peaks (7.90, 2.91, 41.80 ppm; 5.96 A): 4 out of 21 assignments used, quality = 1.00: * H GLU 69 + HE2 LYS 68 OK 85 100 - 85 - 7124/5.0=28, 7125/5.0=19...(17) H GLU 69 + HE3 LYS 68 OK 85 99 - 85 - 7124/5.0=28, 7125/5.0=19...(17) H GLN 72 + HE2 LYS 68 OK 62 98 - 64 - 9557/5.0=20, 3031/3.6=14...(10) H GLN 72 + HE3 LYS 68 OK 62 97 - 64 - 9557/5.0=20, 3031/3.6=14...(10) H GLU 69 - HE3 LYS 66 OK 40 65 - 61 - 7119/6.1=18, 9537/3.6=11...(13) H ASP 65 - HE2 LYS 68 OK 38 65 - 58 - 3031/3.6=10, 3042/3.6=9...(13) H ASP 65 - HE3 LYS 68 OK 37 64 - 58 - 3031/3.6=10, 3042/3.6=9...(13) H GLU 69 - HE3 LYS 94 OK 29 100 - 30 - 7130=4, 4.6/3006=4...(9) H GLU 69 - HE2 LYS 20 OK 21 99 - 21 - 7130=3, 4.6/3006=3...(7) H GLU 69 - HE3 LYS 20 OK 21 98 - 21 - 7130=3, 4.6/3006=3...(9) H GLN 72 - HE3 LYS 94 OK 19 98 - 20 - 9556/3.0=5, 7168/7.3=4...(6) H GLU 69 - HE2 LYS 94 OK 16 57 - 28 - 4.6/3006=4, 7130=3...(11) H ASP 65 - HE3 LYS 66 OK 16 36 - 44 - 7064/7.2=12...(10) H GLN 72 - HE3 LYS 66 OK 12 61 - 20 - 9557/4.7=5, 2881/6.1=4...(4) H ASP 65 - HE3 LYS 94 OK 11 65 - 17 - ~9500=4, 4.9/9484=2...(5) H GLN 72 - HE2 LYS 94 OK 10 54 - 19 - 9556/3.0=5, 7168/7.3=4...(5) H GLN 72 - HE2 LYS 20 lone 8 97 - 8 - H GLN 72 - HE3 LYS 20 lone 8 95 - 8 - H ASP 65 - HE2 LYS 20 poor 7 64 - 10 - 4.6/7076=2 H ASP 65 - HE3 LYS 20 poor 6 61 - 10 - 4.6/7076=2 H ASP 65 - HE2 LYS 94 poor 4 31 - 14 - ~9500=4, 10767/4.8=1...(5) Peak 3076 from cnoeabs.peaks (8.19, 2.91, 41.80 ppm; 5.69 A): 5 out of 18 assignments used, quality = 1.00: * H LYS 68 + HE3 LYS 68 OK 93 100 - 93 - 7.2=49, 7107/5.0=27...(22) H LYS 68 + HE2 LYS 68 OK 93 99 - 93 - 7.2=49, 7107/5.0=27...(22) H ASP 36 + HE3 LYS 68 OK 56 100 - 56 - 3021/3.6=12, 8778/5.0=10...(12) H ASP 36 + HE2 LYS 68 OK 56 99 - 56 - 3021/3.6=12, 8778/5.0=10...(12) H LYS 68 + HE3 LYS 66 OK 47 81 - 58 - 7102/6.1=15, 7078/7.2=13...(17) H LYS 68 - HE3 LYS 94 OK 40 98 - 41 - 7113=5, 4.6/3029=4...(18) H GLU 43 - HE3 LYS 68 OK 31 97 - 32 - 3021/3.6=7, 3032/3.6=5...(7) H GLU 43 - HE2 LYS 68 OK 30 96 - 32 - 3021/3.6=7, 3032/3.6=5...(7) H LYS 68 - HE2 LYS 20 OK 29 96 - 30 - 7113=3, 7113/1.8=3...(12) H GLU 43 - HE3 LYS 94 OK 28 94 - 30 - 6698/7.3=6, 6682/6.0=4...(10) H LYS 68 - HE3 LYS 20 OK 28 92 - 30 - 7113=3, 7113/1.8=3...(12) H ASP 36 - HE2 LYS 20 OK 16 96 - 16 - 8781/3.6=2, 8780/3.6=2...(7) H ASP 36 - HE3 LYS 20 OK 15 92 - 16 - 8781/3.6=2, 8780/3.6=2...(7) H ASP 36 - HE3 LYS 66 OK 15 80 - 18 - 7078/7.2=4, 10774/6.1=3...(5) H GLU 43 - HE2 LYS 20 OK 13 90 - 14 - 6689/4.7=1, 10610/3.0=1...(5) H GLU 43 - HE3 LYS 20 OK 12 86 - 14 - 6689/4.7=1, 10610/3.0=1...(5) H GLU 43 - HE3 LYS 66 OK 12 75 - 16 - 7078/7.2=4, 10774/6.1=3...(4) H ASP 36 - HE3 LYS 94 OK 12 98 - 12 - 3.6/12237=2, 4.7/10530=2 Peak 3078 from cnoeabs.peaks (1.84, 2.91, 41.80 ppm; 3.41 A): 2 out of 30 assignments used, quality = 0.95: * HB2 LYS 68 + HE3 LYS 68 OK 78 100 - 78 - 5.0=32, 3056/3.0=8...(48) HB2 LYS 68 + HE2 LYS 68 OK 77 99 - 78 - 5.0=32, 3056/3.0=8...(46) HB2 LYS 68 - HE3 LYS 94 OK 33 98 - 34 - 3007=3, 3006/1.8=3...(16) HB2 LYS 68 - HE2 LYS 20 OK 23 96 - 24 - 3006=2, 3006/1.8=2...(7) HB3 LYS 90 - HE3 LYS 68 OK 23 99 - 23 - 3023/3.6=5, 3034/3.6=4...(9) HB3 LYS 90 - HE2 LYS 68 OK 22 98 - 23 - 3023/3.6=5, 3034/3.6=4...(9) HB2 LYS 68 - HE3 LYS 20 OK 22 92 - 24 - 3006=2, 3006/1.8=2...(7) HB2 LYS 68 - HE3 LYS 66 OK 22 81 - 28 - 3007=3, 3007/1.8=2...(10) HB2 LYS 53 - HE2 LYS 20 OK 14 95 - 15 - 2396/3.6=2, 2396/3.0=2...(5) HB2 LYS 53 - HE3 LYS 20 OK 14 91 - 15 - 2396/3.6=2, 2396/3.0=2...(5) HB3 LYS 90 - HE3 LYS 94 OK 12 97 - 12 - 3944/1.8=1, ~3933=1, 3006=1 HB2 LYS 53 - HE3 LYS 68 OK 10 100 - 10 - 3023/3.6=2, 3034/3.6=2 HB2 LYS 53 - HE2 LYS 68 lone 10 99 - 10 - 3023/3.6=2, 3034/3.6=2 HB3 LEU 57 - HE3 LYS 68 lone 5 81 - 7 - 3023/3.6=1, ~10263=1, 3034/3.6=1 HB3 LEU 57 - HE2 LYS 68 lone 5 79 - 7 - 3023/3.6=1, ~10263=1, 3034/3.6=1 HB3 LYS 90 - HE3 LYS 66 lone 5 79 - 6 - HB3 LEU 57 - HE3 LYS 66 lone 5 58 - 8 - 2621/3.6=1, 2621/3.6=1, ~12319=1 HG2 ARG 46 - HE3 LYS 68 lone 5 84 - 5 - 3023/3.6=1 HG2 ARG 46 - HE2 LYS 68 lone 4 82 - 5 - 3023/3.6=1 HB3 LYS 90 - HE2 LYS 20 lone 3 94 - 3 - HB3 LYS 90 - HE3 LYS 20 lone 3 90 - 3 - HG2 ARG 46 - HE3 LYS 66 lone 2 61 - 3 - 2087/6.1=2, 4.1/2879=1 HB2 LYS 53 - HE3 LYS 94 lone 2 97 - 2 - HB2 LYS 53 - HE3 LYS 66 lone 1 80 - 2 - HG2 ARG 46 - HE3 LYS 94 lone 1 80 - 1 - HG2 ARG 46 - HE2 LYS 20 lone 1 76 - 1 - HG2 ARG 46 - HE3 LYS 20 lone 1 72 - 1 - HB3 LEU 57 - HE3 LYS 94 lone 1 76 - 1 - HB3 LEU 57 - HE2 LYS 20 lone 1 73 - 1 - HB3 LEU 57 - HE3 LYS 20 lone 1 69 - 1 - Peak 3079 from cnoeabs.peaks (1.87, 2.91, 41.80 ppm; 3.43 A): 4 out of 54 assignments used, quality = 0.99: * HB3 LYS 68 + HE3 LYS 68 OK 77 100 - 77 - 5.0=32, 1.8/3007=6...(46) HB3 LYS 68 + HE2 LYS 68 OK 76 99 - 76 - 5.0=32, 1.8/3007=6...(44) HB3 LYS 66 + HE3 LYS 66 OK 59 69 - 86 - 4.7=38, ~2932=10...(38) HB2 LYS 20 + HE2 LYS 20 OK 46 58 - 79 - 4.7=38, 1.8/879=7...(47) HB2 LYS 20 - HE3 LYS 20 OK 43 55 - 79 - 4.7=38, 1.8/879=7...(47) HB3 LYS 39 - HE3 LYS 68 OK 38 94 - 41 - 3024/3.6=5, 3035/3.6=3...(18) HB3 LYS 39 - HE2 LYS 68 OK 37 92 - 41 - 3024/3.6=5, 3035/3.6=3...(18) HB3 LYS 68 - HE3 LYS 94 OK 34 98 - 35 - 1.8/3007=3, 3018=2...(15) HB3 LYS 66 - HE3 LYS 68 OK 30 92 - 33 - 2906=3, 1.8/2894=3...(18) HB3 LYS 66 - HE2 LYS 68 OK 30 90 - 34 - 2906=3, 2906/1.8=3...(18) HB3 LYS 12 - HE3 LYS 66 OK 29 78 - 38 - 2933/2.9=4, 2944/2.9=4...(17) HB2 LYS 12 - HE3 LYS 66 OK 28 75 - 38 - 2933/2.9=4, 2944/2.9=4...(16) HB3 LYS 68 - HE3 LYS 66 OK 23 81 - 29 - 2944/2.9=2, 1.8/3007=2...(12) HB3 LYS 68 - HE2 LYS 20 OK 23 96 - 24 - 1.8/3006=2, 3018=2...(9) HB3 LYS 68 - HE3 LYS 20 OK 22 92 - 24 - 1.8/3006=2, 3018=2...(9) HB2 LYS 20 - HE3 LYS 94 OK 21 61 - 34 - 1.8/879=3, 3.0/901=2...(19) HB2 LYS 20 - HE3 LYS 68 OK 20 65 - 31 - 1.8/879=3, 3.0/901=2...(16) HB2 LYS 20 - HE2 LYS 68 OK 19 64 - 30 - 1.8/879=3, 3.0/901=2...(16) HB3 LYS 12 - HE3 LYS 68 OK 17 99 - 17 - 3024/3.6=2, 3035/3.6=1...(4) HB3 LYS 12 - HE2 LYS 68 OK 17 98 - 17 - 3024/3.6=2, 3035/3.6=1...(4) HB2 LYS 12 - HE3 LYS 68 OK 17 97 - 17 - 3024/3.6=2, 3035/3.6=1 HB2 LYS 12 - HE2 LYS 68 OK 16 96 - 17 - 3024/3.6=2, 3035/3.6=1 HB3 LYS 66 - HE3 LYS 94 OK 13 88 - 15 - 2903/3.0=1, 2906=1...(6) HB3 LYS 66 - HE2 LYS 20 poor 9 84 - 11 - 2906=1 HB3 LYS 66 - HE3 LYS 20 poor 9 80 - 11 - HB3 LYS 12 - HE3 LYS 94 lone 7 96 - 7 - HB2 LYS 12 - HE3 LYS 94 lone 7 94 - 7 - HB3 LYS 39 - HE3 LYS 94 lone 7 90 - 7 - HB VAL 5 - HE3 LYS 68 lone 6 92 - 7 - 10368/6.3=1, 3024/3.6=1 HB VAL 5 - HE2 LYS 68 lone 6 90 - 7 - 10368/6.3=1, 3024/3.6=1 HB3 LYS 39 - HE3 LYS 66 lone 6 71 - 8 - HB VAL 54 - HE3 LYS 68 lone 4 81 - 5 - HB VAL 54 - HE2 LYS 68 lone 4 79 - 5 - HB VAL 54 - HE2 LYS 20 lone 4 73 - 5 - ~10206=1 HB3 GLU 104 - HE3 LYS 68 lone 4 100 - 3 - HB3 GLU 104 - HE2 LYS 68 lone 3 99 - 3 - HB2 LYS 20 - HE3 LYS 66 lone 3 46 - 7 - 4.0/6313=1 HB VAL 54 - HE3 LYS 20 lone 3 69 - 5 - ~10206=1 HB3 GLU 104 - HE3 LYS 66 lone 3 80 - 3 - HB VAL 5 - HE3 LYS 66 lone 2 69 - 3 - HB3 LYS 12 - HE2 LYS 20 lone 2 93 - 2 - HB3 LYS 39 - HE2 LYS 20 lone 2 87 - 2 - HB2 LYS 12 - HE2 LYS 20 lone 2 90 - 2 - HB3 LYS 12 - HE3 LYS 20 lone 2 89 - 2 - HB3 LYS 39 - HE3 LYS 20 lone 2 82 - 2 - HB2 LYS 12 - HE3 LYS 20 lone 2 86 - 2 - HB3 GLU 104 - HE3 LYS 94 lone 2 98 - 2 - HB VAL 54 - HE3 LYS 66 lone 1 58 - 2 - HB3 GLU 104 - HE2 LYS 20 lone 1 96 - 1 - HB VAL 5 - HE3 LYS 94 lone 1 88 - 1 - HB3 GLU 104 - HE3 LYS 20 lone 1 92 - 1 - HB VAL 54 - HE3 LYS 94 lone 1 76 - 1 - HB VAL 5 - HE2 LYS 20 lone 1 84 - 1 - HB VAL 5 - HE3 LYS 20 lone 1 80 - 1 - Peak 3080 from cnoeabs.peaks (1.64, 2.91, 41.80 ppm; 2.65 A): 7 out of 66 assignments used, quality = 1.00: HD3 LYS 68 + HE3 LYS 68 OK 76 94 - 81 - 3.0=69, 1.8/3063=4...(14) HD3 LYS 68 + HE2 LYS 68 OK 75 92 - 81 - 3.0=69, 1.8/3063=4...(14) HD2 LYS 68 + HE3 LYS 68 OK 75 92 - 81 - 3.0=69, 1.8/3063=4...(14) HD2 LYS 68 + HE2 LYS 68 OK 73 90 - 81 - 3.0=69, 1.8/3063=4...(14) * HG2 LYS 68 + HE3 LYS 68 OK 65 100 - 65 - 3.6=40, 2.9/3078=3...(28) HG2 LYS 68 + HE2 LYS 68 OK 65 99 - 65 - 3.6=40, 2.9/3078=3...(28) HD2 LYS 94 + HE3 LYS 94 OK 50 61 - 81 - 3.0=72, 4238/1.8=4...(16) HG2 LYS 68 - HE3 LYS 94 OK 20 98 - 21 - 3029=2, 3029/1.8=2...(4) HD3 LYS 39 - HE3 LYS 68 OK 19 100 - 19 - 1739/3.6=3, 1738/5.0=2 HD3 LYS 39 - HE2 LYS 68 OK 18 99 - 19 - 1739/3.6=3, 1738/5.0=2 HD3 LYS 68 - HE3 LYS 94 OK 17 90 - 19 - 3.0/3029=1, 3062=1...(4) HD2 LYS 68 - HE3 LYS 94 OK 16 88 - 19 - 3.0/3029=1, 3062=1...(4) HD2 LYS 94 - HE2 LYS 20 OK 15 58 - 26 - 1.8/4250=3, 4239=2...(8) HD2 LYS 94 - HE3 LYS 68 OK 15 65 - 23 - 1.8/4250=2, 4239=2...(8) HD2 LYS 94 - HE3 LYS 20 OK 14 55 - 26 - 1.8/4250=2, 4239=2...(8) HD2 LYS 94 - HE2 LYS 68 OK 14 64 - 21 - 1.8/4250=2, 4239=1...(8) HG2 LYS 68 - HE2 LYS 20 OK 13 96 - 14 - 3029=1, 3029/1.8=1 HD2 LYS 39 - HE3 LYS 68 OK 13 87 - 15 - 3063=1 HG2 LYS 68 - HE3 LYS 20 OK 13 92 - 14 - 3029=1, 3029/1.8=1 HD2 LYS 39 - HE2 LYS 68 OK 12 85 - 15 - 3062=1 HD3 LYS 68 - HE2 LYS 20 OK 11 87 - 13 - HG2 LYS 68 - HE3 LYS 66 OK 11 81 - 14 - 3030=1, 3030/1.8=1 HD2 LYS 68 - HE2 LYS 20 OK 11 84 - 13 - HD3 LYS 68 - HE3 LYS 20 OK 11 82 - 13 - HD2 LYS 68 - HE3 LYS 20 OK 11 80 - 13 - HD3 LYS 68 - HE3 LYS 66 poor 10 71 - 14 - HD2 LYS 68 - HE3 LYS 66 poor 9 69 - 14 - HG3 LYS 47 - HE3 LYS 94 poor 9 54 - 18 - 4247/3.0=2, ~2162=2...(6) HB2 LYS 40 - HE2 LYS 68 lone 7 98 - 7 - 1788/3.6=1 HB2 LYS 40 - HE3 LYS 68 lone 6 99 - 6 - 1788/3.6=1 HB2 LYS 40 - HE2 LYS 20 lone 5 94 - 6 - HB2 LYS 40 - HE3 LYS 20 lone 5 90 - 6 - HD3 LYS 39 - HE3 LYS 94 lone 4 98 - 4 - HD2 LYS 94 - HE3 LYS 66 lone 4 46 - 10 - 1.8/4250=1 HG3 LYS 47 - HE2 LYS 20 lone 4 51 - 7 - HG3 LYS 47 - HE3 LYS 20 lone 3 48 - 7 - HD2 LYS 39 - HE3 LYS 94 lone 3 83 - 3 - HB3 LEU 6 - HE3 LYS 68 lone 2 98 - 2 - HB ILE 76 - HE3 LYS 66 lone 2 80 - 3 - HB3 LEU 6 - HE2 LYS 68 lone 2 97 - 2 - HD3 LYS 39 - HE3 LYS 66 lone 2 80 - 3 - HB ILE 76 - HE3 LYS 68 lone 2 100 - 2 - HB ILE 76 - HE2 LYS 68 lone 2 99 - 2 - HB2 LYS 40 - HE3 LYS 94 lone 2 97 - 2 - HD3 LYS 39 - HE2 LYS 20 lone 1 96 - 1 - HD2 LYS 39 - HE3 LYS 66 lone 1 64 - 2 - HD3 LYS 39 - HE3 LYS 20 lone 1 92 - 1 - HB3 ARG 79 - HE3 LYS 68 lone 1 87 - 1 - HB3 ARG 79 - HE2 LYS 68 lone 1 85 - 1 - HB ILE 76 - HE2 LYS 20 lone 1 95 - 1 - HB ILE 76 - HE3 LYS 20 lone 1 91 - 1 - HB ILE 76 - HE3 LYS 94 lone 1 98 - 1 - HD2 LYS 39 - HE2 LYS 20 lone 1 79 - 1 - HD2 LYS 39 - HE3 LYS 20 lone 1 75 - 1 - HG3 LYS 47 - HE3 LYS 66 lone 1 39 - 2 - HB3 ARG 79 - HE3 LYS 94 lone 1 83 - 1 - HG3 LYS 47 - HE3 LYS 68 lone 1 57 - 1 - HG3 LYS 47 - HE2 LYS 68 lone 1 56 - 1 - HB3 ARG 79 - HE3 LYS 66 lone 1 64 - 1 - HB2 LYS 40 - HE3 LYS 66 lone 0 79 - 1 - HB3 LEU 6 - HE3 LYS 94 lone 0 95 - 0 - HB3 LEU 6 - HE3 LYS 66 lone 0 76 - 0 - HB3 LEU 6 - HE2 LYS 20 lone 0 92 - 0 - HB3 LEU 6 - HE3 LYS 20 lone 0 88 - 0 - HB3 ARG 79 - HE2 LYS 20 lone 0 79 - 0 - HB3 ARG 79 - HE3 LYS 20 lone 0 75 - 0 - Peak 3081 from cnoeabs.peaks (1.35, 2.91, 41.80 ppm; 3.43 A): 3 out of 72 assignments used, quality = 1.00: * HG3 LYS 68 + HE3 LYS 68 OK 95 100 - 95 - 3.6=86, 2.9/3078=5...(41) HG3 LYS 68 + HE2 LYS 68 OK 94 99 - 95 - 3.6=86, 2.9/3078=5...(39) HG2 LYS 94 + HE3 LYS 94 OK 78 88 - 89 - 3.9=69, 4234/3.0=10...(27) HG2 LYS 39 - HE3 LYS 68 OK 41 99 - 42 - 3026/3.6=6, 1708/3.0=3...(16) HG2 LYS 39 - HE2 LYS 68 OK 41 98 - 42 - 3026/3.6=6, 1708/3.0=3...(16) HG2 LYS 94 - HE3 LYS 68 OK 39 92 - 43 - 1.8/4228=3, 2.9/4206=3...(22) HG2 LYS 94 - HE2 LYS 20 OK 39 84 - 46 - 1.8/4268=3, 3.0/4239=3...(25) HG3 LYS 68 - HE3 LYS 94 OK 37 98 - 38 - 3041=3, 1.8/3029=3...(18) HG2 LYS 94 - HE3 LYS 20 OK 37 80 - 46 - 1.8/4268=3, 3.0/4239=3...(23) HG2 LYS 94 - HE2 LYS 68 OK 36 90 - 40 - 1.8/4268=3, 2.9/4206=3...(21) HG3 LYS 68 - HE2 LYS 20 OK 25 96 - 26 - 3040=2, 1.8/3029=2...(7) HG3 LYS 68 - HE3 LYS 20 OK 24 92 - 26 - 3040=2, 1.8/3029=2...(7) HB3 LEU 27 - HE3 LYS 94 OK 21 96 - 23 - 1200/3.0=4, 4234/3.0=3...(9) HG3 LYS 68 - HE3 LYS 66 OK 21 81 - 26 - 3041=2, 1.8/3030=2...(11) QB ALA 67 - HE3 LYS 66 OK 16 64 - 26 - ~2951=3, 10784/4.7=3...(13) QB ALA 25 - HE3 LYS 94 OK 16 88 - 19 - 8622/3.0=7, 8622/3.0=4...(5) QB ALA 67 - HE3 LYS 94 OK 16 83 - 19 - 4234/3.0=2, 4245/3.0=2...(11) HG3 LYS 40 - HE3 LYS 68 OK 15 92 - 17 - 1819/3.0=3, 1819/3.0=3...(4) HG3 LYS 40 - HE2 LYS 68 OK 15 90 - 16 - 1819/3.0=3, 1819/3.0=3...(4) QB ALA 67 - HE3 LYS 68 OK 14 87 - 16 - 2985/7.2=3, 10784/5.0=2...(7) QB ALA 67 - HE2 LYS 68 OK 14 85 - 16 - 2985/7.2=3, 10784/5.0=2...(8) HG2 LYS 94 - HE3 LYS 66 OK 13 69 - 19 - 4215/2.9=2, 3.0/4250=1...(7) HG2 LYS 39 - HE3 LYS 94 OK 13 97 - 13 - 12072/4.8=1, 4234/3.0=1 HG3 LYS 40 - HE2 LYS 20 poor 9 84 - 10 - 1820/3.6=1, 1820/3.0=1 HG3 LYS 40 - HE3 LYS 20 poor 8 80 - 10 - 1820/3.6=1, 1820/3.0=1 HG2 LYS 39 - HE3 LYS 66 lone 7 79 - 8 - HB3 LEU 27 - HE3 LYS 68 lone 6 99 - 6 - HB3 LEU 27 - HE2 LYS 68 lone 6 98 - 6 - QB ALA 89 - HE3 LYS 94 lone 6 88 - 6 - 4234/3.0=1, 4245/3.0=1 HB3 LEU 2 - HE3 LYS 94 lone 6 69 - 8 - 4234/3.0=1, ~11009=1...(4) HB3 LEU 27 - HE3 LYS 66 lone 5 78 - 7 - 1200/2.9=1 HG LEU 14 - HE3 LYS 68 lone 5 100 - 5 - 3026/3.6=1 HG LEU 14 - HE2 LYS 68 lone 5 99 - 5 - 3026/3.6=1 HB2 LYS 82 - HE3 LYS 66 lone 5 76 - 6 - 3651/4.7=1 HB3 LEU 27 - HE2 LYS 20 lone 4 93 - 5 - HB3 LEU 27 - HE3 LYS 20 lone 4 89 - 5 - HG12 ILE 8 - HE2 LYS 20 lone 4 73 - 5 - 12204/4.7=2, 307/4.7=1 HG12 ILE 8 - HE3 LYS 20 lone 4 69 - 5 - 12204/4.7=2, 307/4.7=1 HB2 LYS 82 - HE3 LYS 68 lone 4 98 - 4 - HB2 LYS 82 - HE2 LYS 68 lone 3 97 - 4 - QB ALA 67 - HE2 LYS 20 lone 3 79 - 4 - HG LEU 14 - HE3 LYS 66 lone 3 80 - 4 - 8407/6.1=1 QB ALA 67 - HE3 LYS 20 lone 3 75 - 4 - HG2 LYS 39 - HE2 LYS 20 lone 3 94 - 3 - HB3 LEU 2 - HE3 LYS 66 lone 3 52 - 6 - HG2 LYS 39 - HE3 LYS 20 lone 3 90 - 3 - QB ALA 25 - HE3 LYS 66 lone 3 69 - 4 - HG LEU 14 - HE3 LYS 94 lone 3 98 - 3 - HB2 LYS 82 - HE3 LYS 94 lone 3 95 - 3 - QB ALA 25 - HE3 LYS 68 lone 3 92 - 3 - QB ALA 25 - HE2 LYS 68 lone 3 90 - 3 - QB ALA 89 - HE3 LYS 68 lone 2 92 - 2 - QB ALA 89 - HE2 LYS 68 lone 2 90 - 2 - QB ALA 89 - HE3 LYS 66 lone 2 69 - 3 - HG3 LYS 40 - HE3 LYS 94 lone 2 88 - 2 - HG LEU 14 - HE2 LYS 20 lone 2 96 - 2 - HG LEU 14 - HE3 LYS 20 lone 2 92 - 2 - QB ALA 25 - HE2 LYS 20 lone 2 84 - 2 - HG12 ILE 8 - HE3 LYS 68 lone 2 81 - 2 - HG12 ILE 8 - HE2 LYS 68 lone 1 79 - 2 - HB3 LEU 2 - HE3 LYS 68 lone 1 73 - 2 - QB ALA 25 - HE3 LYS 20 lone 1 80 - 2 - HB3 LEU 2 - HE2 LYS 68 lone 1 71 - 2 - HG12 ILE 8 - HE3 LYS 94 lone 1 76 - 2 - HB2 LYS 82 - HE2 LYS 20 lone 1 92 - 1 - HB2 LYS 82 - HE3 LYS 20 lone 1 88 - 1 - QB ALA 89 - HE2 LYS 20 lone 1 84 - 1 - HG12 ILE 8 - HE3 LYS 66 lone 1 58 - 2 - QB ALA 89 - HE3 LYS 20 lone 1 80 - 1 - HG3 LYS 40 - HE3 LYS 66 lone 1 69 - 1 - HB3 LEU 2 - HE2 LYS 20 lone 1 66 - 1 - HB3 LEU 2 - HE3 LYS 20 lone 1 62 - 1 - Peak 3082 from cnoeabs.peaks (1.65, 2.91, 41.80 ppm; 2.65 A): 6 out of 72 assignments used, quality = 1.00: * HD2 LYS 68 + HE3 LYS 68 OK 81 100 - 81 - 3.0=69, 3062/1.8=4...(15) HD3 LYS 68 + HE3 LYS 68 OK 81 100 - 81 - 3.0=69, 3062/1.8=4...(15) HD2 LYS 68 + HE2 LYS 68 OK 81 99 - 81 - 3.0=69, 3063/1.8=4...(15) HD3 LYS 68 + HE2 LYS 68 OK 81 99 - 81 - 3.0=69, 3063/1.8=4...(15) HG2 LYS 68 + HE3 LYS 68 OK 60 92 - 65 - 3.6=40, 2.9/3078=3...(28) HG2 LYS 68 + HE2 LYS 68 OK 59 90 - 65 - 3.6=40, 2.9/3078=3...(28) HD2 LYS 68 - HE3 LYS 94 OK 19 98 - 19 - 3062=1, 3.0/3029=1...(4) HD3 LYS 68 - HE3 LYS 94 OK 19 98 - 19 - 3062=1, 3.0/3029=1...(4) HG2 LYS 68 - HE3 LYS 94 OK 17 88 - 19 - 1.8/3041=1, 3029=1...(4) HD3 LYS 39 - HE3 LYS 68 OK 16 90 - 18 - 1739/3.6=3, 1738/5.0=1 HD2 LYS 39 - HE3 LYS 68 OK 16 100 - 16 - 3052=1, 3038/3.6=1, 3045/5.0=1 HD2 LYS 39 - HE2 LYS 68 OK 15 99 - 15 - 3051=1, 3038/3.6=1, 3045/5.0=1 HD3 LYS 39 - HE2 LYS 68 OK 15 88 - 17 - 1739/3.6=3, 1738/5.0=1 HD2 LYS 68 - HE2 LYS 20 OK 13 96 - 13 - 3062=1 HD3 LYS 68 - HE2 LYS 20 OK 13 96 - 13 - 3062=1 HD2 LYS 68 - HE3 LYS 20 OK 12 92 - 13 - 3051=1 HD3 LYS 68 - HE3 LYS 20 OK 12 92 - 13 - 3062=1 HD2 LYS 68 - HE3 LYS 66 OK 11 81 - 14 - HD3 LYS 68 - HE3 LYS 66 OK 11 80 - 14 - HG2 LYS 68 - HE2 LYS 20 OK 11 84 - 13 - HG2 LYS 68 - HE3 LYS 20 OK 11 80 - 13 - HG2 LYS 68 - HE3 LYS 66 poor 9 69 - 14 - HB2 LYS 40 - HE2 LYS 68 lone 6 97 - 7 - 1788/3.6=1 HB2 LYS 40 - HE3 LYS 68 lone 6 98 - 6 - 1788/3.6=1 HB2 LYS 40 - HE2 LYS 20 lone 5 92 - 5 - HB2 LYS 40 - HE3 LYS 20 lone 5 88 - 5 - HD2 LYS 39 - HE3 LYS 94 lone 3 98 - 3 - HD3 LYS 39 - HE3 LYS 94 lone 3 85 - 4 - HD3 LYS 73 - HE3 LYS 66 lone 3 61 - 4 - HD2 LYS 73 - HE3 LYS 66 lone 2 55 - 4 - HB3 LEU 6 - HE3 LYS 68 lone 2 99 - 2 - HB3 LEU 6 - HE2 LYS 68 lone 2 98 - 2 - HB ILE 76 - HE3 LYS 66 lone 2 73 - 3 - HB ILE 76 - HE3 LYS 68 lone 2 96 - 2 - HB ILE 76 - HE2 LYS 68 lone 2 94 - 2 - HB2 LYS 40 - HE3 LYS 94 lone 2 95 - 2 - HD2 LYS 39 - HE3 LYS 66 lone 2 80 - 2 - HD3 LYS 39 - HE3 LYS 66 lone 2 66 - 2 - HB ILE 52 - HE2 LYS 20 lone 1 58 - 3 - HB ILE 52 - HE3 LYS 20 lone 1 55 - 3 - HB3 ARG 79 - HE3 LYS 68 lone 1 100 - 1 - HB3 ARG 79 - HE2 LYS 68 lone 1 99 - 1 - HD2 LYS 39 - HE2 LYS 20 lone 1 95 - 1 - HD2 LYS 39 - HE3 LYS 20 lone 1 91 - 1 - HD3 LYS 39 - HE2 LYS 20 lone 1 82 - 1 - HB3 ARG 79 - HE3 LYS 94 lone 1 98 - 1 - HD3 LYS 39 - HE3 LYS 20 lone 1 78 - 1 - HB ILE 76 - HE2 LYS 20 lone 1 89 - 1 - HD3 LYS 73 - HE3 LYS 94 lone 1 80 - 1 - HB ILE 76 - HE3 LYS 20 lone 1 84 - 1 - HB3 ARG 79 - HE3 LYS 66 lone 1 80 - 1 - HD2 LYS 73 - HE3 LYS 94 lone 1 73 - 1 - HD3 LYS 73 - HE2 LYS 20 lone 1 76 - 1 - HD3 LYS 73 - HE3 LYS 20 lone 1 72 - 1 - HD2 LYS 73 - HE2 LYS 20 lone 1 70 - 1 - HD2 LYS 73 - HE3 LYS 20 lone 1 65 - 1 - HD3 LYS 73 - HE3 LYS 68 lone 0 84 - 1 - HD3 LYS 73 - HE2 LYS 68 lone 0 82 - 1 - HB ILE 76 - HE3 LYS 94 lone 0 92 - 0 - HB2 LYS 40 - HE3 LYS 66 lone 0 76 - 1 - HD2 LYS 73 - HE3 LYS 68 lone 0 77 - 1 - HD2 LYS 73 - HE2 LYS 68 lone 0 75 - 1 - HB ILE 52 - HE3 LYS 68 lone 0 65 - 1 - HB ILE 52 - HE2 LYS 68 lone 0 64 - 1 - HB3 LEU 6 - HE3 LYS 94 lone 0 97 - 0 - HB3 ARG 79 - HE2 LYS 20 lone 0 95 - 0 - HB3 ARG 79 - HE3 LYS 20 lone 0 91 - 0 - HB3 LEU 6 - HE2 LYS 20 lone 0 94 - 0 - HB3 LEU 6 - HE3 LYS 66 lone 0 79 - 0 - HB3 LEU 6 - HE3 LYS 20 lone 0 90 - 0 - HB ILE 52 - HE3 LYS 94 lone 0 61 - 0 - HB ILE 52 - HE3 LYS 66 lone 0 46 - 0 - Peak 3083 from cnoeabs.peaks (1.65, 2.91, 41.80 ppm; 2.65 A): 6 out of 72 assignments used, quality = 1.00: * HD3 LYS 68 + HE3 LYS 68 OK 81 100 - 81 - 3.0=69, 3062/1.8=4...(15) HD2 LYS 68 + HE3 LYS 68 OK 81 100 - 81 - 3.0=69, 3062/1.8=4...(15) HD3 LYS 68 + HE2 LYS 68 OK 81 99 - 81 - 3.0=69, 3063/1.8=4...(15) HD2 LYS 68 + HE2 LYS 68 OK 81 99 - 81 - 3.0=69, 3063/1.8=4...(15) HG2 LYS 68 + HE3 LYS 68 OK 61 94 - 65 - 3.6=40, 2.9/3078=3...(28) HG2 LYS 68 + HE2 LYS 68 OK 60 92 - 65 - 3.6=40, 2.9/3078=3...(28) HD3 LYS 68 - HE3 LYS 94 OK 19 98 - 19 - 3062=1, 3.0/3029=1...(4) HD2 LYS 68 - HE3 LYS 94 OK 19 98 - 19 - 3062=1, 3.0/3029=1...(4) HG2 LYS 68 - HE3 LYS 94 OK 17 90 - 19 - 3029=1, 1.8/3041=1...(4) HD3 LYS 39 - HE3 LYS 68 OK 16 92 - 18 - 1739/3.6=3, 1738/5.0=1 HD3 LYS 39 - HE2 LYS 68 OK 16 90 - 18 - 1739/3.6=3, 1738/5.0=1 HD2 LYS 39 - HE3 LYS 68 OK 16 100 - 16 - 3052=1, 3038/3.6=1, 3045/5.0=1 HD2 LYS 39 - HE2 LYS 68 OK 15 99 - 15 - 3051=1, 3038/3.6=1, 3045/5.0=1 HD3 LYS 68 - HE2 LYS 20 OK 13 96 - 13 - 3062=1 HD2 LYS 68 - HE2 LYS 20 OK 13 96 - 13 - 3062=1 HD3 LYS 68 - HE3 LYS 20 OK 12 92 - 13 - 3062=1 HD2 LYS 68 - HE3 LYS 20 OK 12 92 - 13 - 3062=1 HG2 LYS 68 - HE2 LYS 20 OK 12 87 - 13 - 3029=1, 3029/1.8=1 HD3 LYS 68 - HE3 LYS 66 OK 11 81 - 14 - HD2 LYS 68 - HE3 LYS 66 OK 11 80 - 14 - HG2 LYS 68 - HE3 LYS 20 OK 11 82 - 13 - 3029=1, 3029/1.8=1 HG2 LYS 68 - HE3 LYS 66 poor 10 71 - 14 - HB2 LYS 40 - HE2 LYS 68 lone 7 98 - 7 - 1788/3.6=1 HB2 LYS 40 - HE3 LYS 68 lone 6 99 - 6 - 1788/3.6=1 HB2 LYS 40 - HE2 LYS 20 lone 5 93 - 6 - HB2 LYS 40 - HE3 LYS 20 lone 5 89 - 6 - HD2 LYS 39 - HE3 LYS 94 lone 3 97 - 3 - HD3 LYS 39 - HE3 LYS 94 lone 3 88 - 4 - HD3 LYS 73 - HE3 LYS 66 lone 2 58 - 4 - HB3 LEU 6 - HE3 LYS 68 lone 2 100 - 2 - HB3 LEU 6 - HE2 LYS 68 lone 2 99 - 2 - HD2 LYS 73 - HE3 LYS 66 lone 2 52 - 4 - HB ILE 76 - HE3 LYS 66 lone 2 75 - 3 - HB ILE 76 - HE3 LYS 68 lone 2 97 - 2 - HB ILE 76 - HE2 LYS 68 lone 2 96 - 2 - HB2 LYS 40 - HE3 LYS 94 lone 2 96 - 2 - HD2 LYS 39 - HE3 LYS 66 lone 2 80 - 2 - HD3 LYS 39 - HE3 LYS 66 lone 2 69 - 2 - HB ILE 52 - HE2 LYS 20 lone 1 55 - 2 - HB ILE 52 - HE3 LYS 20 lone 1 51 - 2 - HB3 ARG 79 - HE3 LYS 68 lone 1 100 - 1 - HB3 ARG 79 - HE2 LYS 68 lone 1 99 - 1 - HD2 LYS 39 - HE2 LYS 20 lone 1 95 - 1 - HD3 LYS 39 - HE2 LYS 20 lone 1 84 - 1 - HD2 LYS 39 - HE3 LYS 20 lone 1 91 - 1 - HD3 LYS 39 - HE3 LYS 20 lone 1 80 - 1 - HB3 ARG 79 - HE3 LYS 94 lone 1 97 - 1 - HB ILE 76 - HE2 LYS 20 lone 1 90 - 1 - HB ILE 76 - HE3 LYS 20 lone 1 86 - 1 - HB3 ARG 79 - HE3 LYS 66 lone 1 80 - 1 - HD3 LYS 73 - HE3 LYS 94 lone 1 76 - 1 - HD2 LYS 73 - HE3 LYS 94 lone 1 69 - 1 - HD3 LYS 73 - HE2 LYS 20 lone 1 73 - 1 - HD3 LYS 73 - HE3 LYS 20 lone 1 69 - 1 - HD2 LYS 73 - HE2 LYS 20 lone 1 66 - 1 - HD2 LYS 73 - HE3 LYS 20 lone 1 62 - 1 - HB ILE 76 - HE3 LYS 94 lone 0 94 - 0 - HB2 LYS 40 - HE3 LYS 66 lone 0 78 - 1 - HD3 LYS 73 - HE3 LYS 68 lone 0 81 - 1 - HD3 LYS 73 - HE2 LYS 68 lone 0 79 - 1 - HD2 LYS 73 - HE3 LYS 68 lone 0 73 - 0 - HD2 LYS 73 - HE2 LYS 68 lone 0 71 - 0 - HB ILE 52 - HE3 LYS 68 lone 0 61 - 1 - HB ILE 52 - HE2 LYS 68 lone 0 60 - 1 - HB3 LEU 6 - HE3 LYS 94 lone 0 97 - 0 - HB3 ARG 79 - HE2 LYS 20 lone 0 95 - 0 - HB3 ARG 79 - HE3 LYS 20 lone 0 91 - 0 - HB3 LEU 6 - HE2 LYS 20 lone 0 95 - 0 - HB3 LEU 6 - HE3 LYS 66 lone 0 80 - 0 - HB3 LEU 6 - HE3 LYS 20 lone 0 91 - 0 - HB ILE 52 - HE3 LYS 94 lone 0 58 - 0 - HB ILE 52 - HE3 LYS 66 lone 0 43 - 0 - Peak 3084 from cnoeabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HE3 LYS 68 + HE3 LYS 68 OK 100 100 - 100 HE2 LYS 68 + HE2 LYS 68 OK 99 99 - 100 HE3 LYS 94 + HE3 LYS 94 OK 98 98 - 100 HE2 LYS 20 + HE2 LYS 20 OK 95 95 - 100 HE3 LYS 20 + HE3 LYS 20 OK 91 91 - 100 HE3 LYS 66 + HE3 LYS 66 OK 71 71 - 100 Reference assignment not found: HE2 LYS 68 - HE3 LYS 68 Peak 3085 from cnoeabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HE3 LYS 68 + HE3 LYS 68 OK 100 100 - 100 HE2 LYS 68 + HE2 LYS 68 OK 99 99 - 100 HE3 LYS 94 + HE3 LYS 94 OK 97 97 - 100 HE2 LYS 20 + HE2 LYS 20 OK 94 94 - 100 HE3 LYS 20 + HE3 LYS 20 OK 89 89 - 100 HE3 LYS 66 + HE3 LYS 66 OK 75 75 - 100 Peak 3086 from cnoeabs.peaks (7.90, 2.91, 41.80 ppm; 5.96 A): 5 out of 18 assignments used, quality = 1.00: * H GLU 69 + HE3 LYS 68 OK 85 100 - 85 - 7124/5.0=28, 7125/5.0=19...(17) H GLU 69 + HE2 LYS 68 OK 85 99 - 85 - 7124/5.0=28, 7125/5.0=19...(17) H GLN 72 + HE3 LYS 68 OK 62 98 - 64 - 9557/5.0=20, 3031/3.6=14...(10) H GLN 72 + HE2 LYS 68 OK 62 97 - 64 - 9557/5.0=20, 3031/3.6=14...(10) H GLU 69 + HE3 LYS 66 OK 49 81 - 61 - 7119/6.1=18, 9537/3.6=11...(13) H ASP 65 - HE3 LYS 68 OK 38 65 - 58 - 3031/3.6=10, 3042/3.6=9...(13) H ASP 65 - HE2 LYS 68 OK 37 64 - 58 - 3031/3.6=10, 3042/3.6=9...(13) H GLU 69 - HE3 LYS 94 OK 29 98 - 29 - 7130=4, 4.6/3007=4...(9) H GLU 69 - HE2 LYS 20 OK 20 96 - 21 - 7130=3, 4.6/3006=3...(7) H ASP 65 - HE3 LYS 66 OK 20 46 - 45 - 7064/7.2=12...(12) H GLU 69 - HE3 LYS 20 OK 20 92 - 21 - 7130=3, 4.6/3006=3...(7) H GLN 72 - HE3 LYS 94 OK 19 95 - 20 - 9556/3.0=5, 7168/7.3=4...(6) H GLN 72 - HE3 LYS 66 OK 15 76 - 20 - 9557/4.7=5, 2881/6.1=4...(4) H ASP 65 - HE3 LYS 94 OK 11 61 - 17 - ~9500=4, 4.9/9484=2...(5) H GLN 72 - HE2 LYS 20 lone 8 92 - 8 - H GLN 72 - HE3 LYS 20 lone 7 88 - 8 - H ASP 65 - HE2 LYS 20 poor 6 58 - 11 - 4.6/7076=2 H ASP 65 - HE3 LYS 20 poor 6 55 - 10 - 4.6/7076=2 Peak 3087 from cnoeabs.peaks (7.90, 4.00, 59.02 ppm; 3.18 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 69 + HA GLU 69 OK 100 100 - 100 - 3.0=100 H GLN 72 + HA GLU 69 OK 53 98 - 55 - 9554=11, 3.9/9560=7...(18) H ASP 65 - HA GLU 69 poor 9 65 - 13 - ~7118=4, 2996/4.9=2...(4) Peak 3088 from cnoeabs.peaks (4.00, 4.00, 59.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 69 + HA GLU 69 OK 100 100 - 100 Peak 3089 from cnoeabs.peaks (2.13, 4.00, 59.02 ppm; 2.79 A): 3 out of 11 assignments used, quality = 1.00: * HB2 GLU 69 + HA GLU 69 OK 91 100 - 91 - 3.0=81, 3.0/3092=12...(18) HB3 GLU 69 + HA GLU 69 OK 91 100 - 91 - 3.0=81, 3.0/3092=12...(18) HG2 GLU 69 + HA GLU 69 OK 67 100 - 67 - 4.1=32, 1.8/3092=16...(16) HB2 GLU 75 - HA GLU 69 OK 16 94 - 16 - 3382=4, 1.8/3389=3...(6) HB2 PRO 86 - HA GLU 69 OK 15 97 - 15 - ~7119=2, 7133/3.0=1...(7) HG2 GLU 44 - HA GLU 69 OK 13 96 - 14 - 1.8/3092=3, 3111=2...(5) HB2 LEU 64 - HA GLU 69 lone 7 81 - 9 - 2817/3.0=1, ~2825=1 HB VAL 83 - HA GLU 69 lone 2 81 - 3 - ~9534=1 HB3 GLU 37 - HA GLU 69 lone 2 100 - 2 - HG3 GLU 37 - HA GLU 69 lone 1 70 - 1 - HG2 GLU 88 - HA GLU 69 lone 1 77 - 1 - Peak 3090 from cnoeabs.peaks (2.13, 4.00, 59.02 ppm; 2.79 A): 3 out of 11 assignments used, quality = 1.00: HB2 GLU 69 + HA GLU 69 OK 91 100 - 91 - 3.0=81, 3.0/3092=12...(18) * HB3 GLU 69 + HA GLU 69 OK 91 100 - 91 - 3.0=81, 3.0/3092=12...(18) HG2 GLU 69 + HA GLU 69 OK 67 100 - 67 - 4.1=32, 1.8/3092=16...(16) HB2 GLU 75 - HA GLU 69 OK 16 94 - 16 - 3382=4, 1.8/3389=3...(6) HB2 PRO 86 - HA GLU 69 OK 15 97 - 15 - ~7119=2, 7133/3.0=1...(7) HG2 GLU 44 - HA GLU 69 OK 13 96 - 14 - 1.8/3092=3, 3111=2...(5) HB2 LEU 64 - HA GLU 69 lone 7 81 - 9 - 2817/3.0=1, ~2825=1 HB VAL 83 - HA GLU 69 lone 2 81 - 3 - ~9534=1 HB3 GLU 37 - HA GLU 69 lone 2 100 - 2 - HG3 GLU 37 - HA GLU 69 lone 1 70 - 1 - HG2 GLU 88 - HA GLU 69 lone 1 77 - 1 - Peak 3091 from cnoeabs.peaks (2.13, 4.00, 59.02 ppm; 2.79 A): 3 out of 11 assignments used, quality = 1.00: HB2 GLU 69 + HA GLU 69 OK 91 100 - 91 - 3.0=81, 3.0/3092=12...(18) HB3 GLU 69 + HA GLU 69 OK 91 100 - 91 - 3.0=81, 3.0/3092=12...(18) * HG2 GLU 69 + HA GLU 69 OK 67 100 - 67 - 4.1=32, 1.8/3092=16...(16) HB2 GLU 75 - HA GLU 69 OK 16 94 - 16 - 3382=4, 1.8/3389=3...(6) HB2 PRO 86 - HA GLU 69 OK 15 97 - 15 - ~7119=2, 7133/3.0=1...(7) HG2 GLU 44 - HA GLU 69 OK 13 96 - 14 - 1.8/3092=3, 3111=2...(5) HB2 LEU 64 - HA GLU 69 lone 7 81 - 9 - 2817/3.0=1, ~2825=1 HB VAL 83 - HA GLU 69 lone 2 81 - 3 - ~9534=1 HB3 GLU 37 - HA GLU 69 lone 2 100 - 2 - HG3 GLU 37 - HA GLU 69 lone 1 70 - 1 - HG2 GLU 88 - HA GLU 69 lone 1 77 - 1 - Peak 3092 from cnoeabs.peaks (2.34, 4.00, 59.02 ppm; 3.43 A): 3 out of 5 assignments used, quality = 0.90: * HG3 GLU 69 + HA GLU 69 OK 86 100 - 86 - 4.1=59, 1.8/3111=21...(12) HG3 GLU 44 + HA GLU 69 OK 17 84 - 20 - 7136/3.0=3, 7148/3.6=3...(7) HG2 GLU 16 + HA GLU 69 OK 12 100 - 12 - 3118=4, 7136/3.0=3...(5) HG2 GLU 48 - HA GLU 69 lone 7 97 - 7 - 3118=2, 7136/3.0=1 HG3 GLU 43 - HA GLU 69 lone 2 65 - 3 - 7148/3.6=1, 7136/3.0=1 Peak 3093 from cnoeabs.peaks (7.96, 4.00, 59.02 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + HA GLU 69 OK 100 100 - 100 - 3.6=100 H LEU 42 - HA GLU 69 OK 28 100 - 28 - 7137/3.0=9, 3116/4.1=5...(6) Peak 3094 from cnoeabs.peaks (4.08, 2.13, 29.27 ppm; 3.33 A): 6 out of 6 assignments used, quality = 0.81: * HA LYS 66 + HB2 GLU 69 OK 35 100 - 35 - 7119/4.0=10, 2882=8...(9) HA LYS 66 + HB3 GLU 69 OK 35 100 - 35 - 7119/4.0=10, 2882=8...(9) HA PRO 86 + HB2 GLU 69 OK 23 87 - 27 - 7119/4.0=4, 7139/4.6=3...(11) HA PRO 86 + HB3 GLU 69 OK 23 87 - 27 - 7119/4.0=4, 7139/4.6=3...(11) HA ARG 46 + HB3 GLU 69 OK 13 99 - 13 - 7119/4.0=4, 2882=3...(4) HA ARG 46 + HB2 GLU 69 OK 13 99 - 13 - 7119/4.0=4, 2882=3...(4) Peak 3095 from cnoeabs.peaks (7.90, 2.13, 29.27 ppm; 2.94 A): 2 out of 6 assignments used, quality = 0.93: * H GLU 69 + HB2 GLU 69 OK 73 100 - 74 - 4.0=40, 3110/3.0=13...(14) H GLU 69 + HB3 GLU 69 OK 73 100 - 74 - 4.0=40, 3110/3.0=13...(14) H GLN 72 - HB2 GLU 69 OK 18 98 - 19 - 3087/3.0=7, 3110/3.0=3...(5) H GLN 72 - HB3 GLU 69 OK 18 98 - 19 - 3087/3.0=7, 3110/3.0=3...(5) H ASP 65 - HB3 GLU 69 lone 6 65 - 8 - 3087/3.0=1, 4.6/12286=1 H ASP 65 - HB2 GLU 69 lone 6 65 - 8 - 3087/3.0=1, 4.6/12286=1 Peak 3096 from cnoeabs.peaks (4.00, 2.13, 29.27 ppm; 2.99 A): 2 out of 10 assignments used, quality = 1.00: HA GLU 69 + HB3 GLU 69 OK 100 100 - 100 - 3.0=100 * HA GLU 69 + HB2 GLU 69 OK 100 100 - 100 - 3.0=100 HA GLU 75 - HB3 GLU 69 OK 26 98 - 26 - 3376=5, 3376/1.8=4...(10) HA GLU 75 - HB2 GLU 69 OK 26 98 - 26 - 3376=5, 3376/1.8=4...(10) HD2 PRO 86 - HB3 GLU 69 OK 18 65 - 27 - 2.3/10802=4, 3.6/3102=3...(9) HD2 PRO 86 - HB2 GLU 69 OK 18 65 - 27 - 2.3/10802=4, 3.6/3102=3...(9) HD3 PRO 86 - HB3 GLU 69 OK 17 61 - 27 - 2.3/10802=4, 3.6/3102=3...(9) HD3 PRO 86 - HB2 GLU 69 OK 17 61 - 27 - 2.3/10802=4, 3.6/3102=3...(9) HB3 SER 97 - HB3 GLU 69 lone 2 90 - 3 - HB3 SER 97 - HB2 GLU 69 lone 2 90 - 3 - Peak 3097 from cnoeabs.peaks (2.13, 2.13, 29.27 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 69 + HB3 GLU 69 OK 100 100 - 100 * HB2 GLU 69 + HB2 GLU 69 OK 100 100 - 100 Peak 3098 from cnoeabs.peaks (2.13, 2.13, 29.27 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 69 + HB3 GLU 69 OK 100 100 - 100 HB2 GLU 69 + HB2 GLU 69 OK 100 100 - 100 Reference assignment not found: HB3 GLU 69 - HB2 GLU 69 Peak 3099 from cnoeabs.peaks (2.13, 2.13, 29.27 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 69 + HB3 GLU 69 OK 100 100 - 100 HB2 GLU 69 + HB2 GLU 69 OK 100 100 - 100 Reference assignment not found: HG2 GLU 69 - HB2 GLU 69 Peak 3100 from cnoeabs.peaks (2.34, 2.13, 29.27 ppm; 2.89 A): 2 out of 10 assignments used, quality = 1.00: * HG3 GLU 69 + HB2 GLU 69 OK 94 100 - 94 - 3.0=90, 3092/3.0=13...(12) HG3 GLU 69 + HB3 GLU 69 OK 94 100 - 94 - 3.0=90, 3092/3.0=13...(12) HG3 GLU 44 - HB2 GLU 69 OK 20 84 - 24 - 2028=3, 2028/1.8=3...(10) HG3 GLU 44 - HB3 GLU 69 OK 20 84 - 24 - 2028=3, 2028/1.8=3...(10) HG2 GLU 16 - HB3 GLU 69 lone 10 100 - 10 - 3092/3.0=2, 7136/4.0=1...(4) HG2 GLU 16 - HB2 GLU 69 lone 10 100 - 10 - 3092/3.0=2, 7136/4.0=1...(4) HG2 GLU 48 - HB3 GLU 69 lone 6 97 - 6 - 3092/3.0=1 HG2 GLU 48 - HB2 GLU 69 lone 6 97 - 6 - 3092/3.0=1 HG3 GLU 43 - HB3 GLU 69 lone 2 65 - 2 - HG3 GLU 43 - HB2 GLU 69 lone 2 65 - 2 - Peak 3101 from cnoeabs.peaks (7.96, 2.13, 29.27 ppm; 3.31 A): 2 out of 4 assignments used, quality = 0.93: * H LEU 70 + HB2 GLU 69 OK 73 100 - 73 - 4.6=36, 7144/3.0=17...(11) H LEU 70 + HB3 GLU 69 OK 73 100 - 73 - 4.6=36, 7144/3.0=17...(11) H LEU 42 - HB2 GLU 69 OK 20 100 - 20 - 7137/4.0=5, 3093/3.0=5...(4) H LEU 42 - HB3 GLU 69 OK 20 100 - 20 - 7137/4.0=5, 3093/3.0=5...(4) Peak 3102 from cnoeabs.peaks (4.08, 2.13, 29.27 ppm; 3.33 A): 6 out of 6 assignments used, quality = 0.81: HA LYS 66 + HB2 GLU 69 OK 35 100 - 35 - 7119/4.0=10, 2882=8...(9) * HA LYS 66 + HB3 GLU 69 OK 35 100 - 35 - 7119/4.0=10, 2882=8...(9) HA PRO 86 + HB2 GLU 69 OK 23 87 - 27 - 7119/4.0=4, 7139/4.6=3...(11) HA PRO 86 + HB3 GLU 69 OK 23 87 - 27 - 7119/4.0=4, 7139/4.6=3...(11) HA ARG 46 + HB3 GLU 69 OK 13 99 - 13 - 7119/4.0=4, 2882=3...(4) HA ARG 46 + HB2 GLU 69 OK 13 99 - 13 - 7119/4.0=4, 2882=3...(4) Peak 3103 from cnoeabs.peaks (7.90, 2.13, 29.27 ppm; 2.94 A): 2 out of 6 assignments used, quality = 0.93: H GLU 69 + HB2 GLU 69 OK 73 100 - 74 - 4.0=40, 3110/3.0=13...(14) * H GLU 69 + HB3 GLU 69 OK 73 100 - 74 - 4.0=40, 3110/3.0=13...(14) H GLN 72 - HB2 GLU 69 OK 18 98 - 19 - 3087/3.0=7, 3110/3.0=3...(5) H GLN 72 - HB3 GLU 69 OK 18 98 - 19 - 3087/3.0=7, 3110/3.0=3...(5) H ASP 65 - HB3 GLU 69 lone 6 65 - 8 - 3087/3.0=1, 4.6/12286=1 H ASP 65 - HB2 GLU 69 lone 6 65 - 8 - 3087/3.0=1, 4.6/12286=1 Peak 3104 from cnoeabs.peaks (4.00, 2.13, 29.27 ppm; 2.99 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 69 + HB3 GLU 69 OK 100 100 - 100 - 3.0=100 HA GLU 69 + HB2 GLU 69 OK 100 100 - 100 - 3.0=100 HA GLU 75 - HB3 GLU 69 OK 26 98 - 26 - 3376=5, 3376/1.8=4...(10) HA GLU 75 - HB2 GLU 69 OK 26 98 - 26 - 3376=5, 3376/1.8=4...(10) HD2 PRO 86 - HB3 GLU 69 OK 18 65 - 27 - 2.3/10802=4, 3.6/3102=3...(9) HD2 PRO 86 - HB2 GLU 69 OK 18 65 - 27 - 2.3/10802=4, 3.6/3102=3...(9) HD3 PRO 86 - HB3 GLU 69 OK 17 61 - 27 - 2.3/10802=4, 3.6/3102=3...(9) HD3 PRO 86 - HB2 GLU 69 OK 17 61 - 27 - 2.3/10802=4, 3.6/3102=3...(9) HB3 SER 97 - HB3 GLU 69 lone 2 90 - 3 - HB3 SER 97 - HB2 GLU 69 lone 2 90 - 3 - Peak 3105 from cnoeabs.peaks (2.13, 2.13, 29.27 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 69 + HB3 GLU 69 OK 100 100 - 100 HB2 GLU 69 + HB2 GLU 69 OK 100 100 - 100 Reference assignment not found: HB2 GLU 69 - HB3 GLU 69 Peak 3106 from cnoeabs.peaks (2.13, 2.13, 29.27 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 69 + HB3 GLU 69 OK 100 100 - 100 HB2 GLU 69 + HB2 GLU 69 OK 100 100 - 100 Peak 3107 from cnoeabs.peaks (2.13, 2.13, 29.27 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 69 + HB3 GLU 69 OK 100 100 - 100 HB2 GLU 69 + HB2 GLU 69 OK 100 100 - 100 Reference assignment not found: HG2 GLU 69 - HB3 GLU 69 Peak 3108 from cnoeabs.peaks (2.34, 2.13, 29.27 ppm; 2.89 A): 2 out of 10 assignments used, quality = 1.00: HG3 GLU 69 + HB2 GLU 69 OK 94 100 - 94 - 3.0=90, 3092/3.0=13...(12) * HG3 GLU 69 + HB3 GLU 69 OK 94 100 - 94 - 3.0=90, 3092/3.0=13...(12) HG3 GLU 44 - HB2 GLU 69 OK 20 84 - 24 - 2028=3, 2028/1.8=3...(10) HG3 GLU 44 - HB3 GLU 69 OK 20 84 - 24 - 2028=3, 2028/1.8=3...(10) HG2 GLU 16 - HB3 GLU 69 lone 10 100 - 10 - 3092/3.0=2, 7136/4.0=1...(4) HG2 GLU 16 - HB2 GLU 69 lone 10 100 - 10 - 3092/3.0=2, 7136/4.0=1...(4) HG2 GLU 48 - HB3 GLU 69 lone 6 97 - 6 - 3092/3.0=1 HG2 GLU 48 - HB2 GLU 69 lone 6 97 - 6 - 3092/3.0=1 HG3 GLU 43 - HB3 GLU 69 lone 2 65 - 2 - HG3 GLU 43 - HB2 GLU 69 lone 2 65 - 2 - Peak 3109 from cnoeabs.peaks (7.96, 2.13, 29.27 ppm; 3.31 A): 2 out of 4 assignments used, quality = 0.93: H LEU 70 + HB2 GLU 69 OK 73 100 - 73 - 4.6=36, 7144/3.0=17...(11) * H LEU 70 + HB3 GLU 69 OK 73 100 - 73 - 4.6=36, 7144/3.0=17...(11) H LEU 42 - HB2 GLU 69 OK 20 100 - 20 - 7137/4.0=5, 3093/3.0=5...(4) H LEU 42 - HB3 GLU 69 OK 20 100 - 20 - 7137/4.0=5, 3093/3.0=5...(4) Peak 3110 from cnoeabs.peaks (7.90, 2.13, 35.91 ppm; 3.39 A): 2 out of 6 assignments used, quality = 0.80: * H GLU 69 + HG2 GLU 69 OK 75 100 - 75 - 5.1=30, 7136/1.8=21...(12) H GLN 72 + HG2 GLU 69 OK 20 98 - 20 - 9554/4.1=7, 3117/1.8=5...(5) H GLU 69 - HG2 GLU 44 poor 9 66 - 14 - 7136/1.8=4, 3.0/3111=2...(5) H ASP 65 - HG2 GLU 69 lone 5 65 - 8 - 4.6/12286=1, 3087/4.1=1 H GLN 72 - HG2 GLU 44 lone 2 62 - 3 - 4.6/6726=1 H ASP 65 - HG2 GLU 44 lone 0 36 - 1 - Peak 3111 from cnoeabs.peaks (4.00, 2.13, 35.91 ppm; 3.32 A): 5 out of 10 assignments used, quality = 0.93: * HA GLU 69 + HG2 GLU 69 OK 88 100 - 88 - 4.1=54, 3092/1.8=23...(18) HA GLU 75 + HG2 GLU 69 OK 22 98 - 23 - 3118/1.8=4, 3376=4...(7) HD2 PRO 86 + HG2 GLU 69 OK 13 65 - 20 - 3118/1.8=3, ~10802=2...(7) HA GLU 69 + HG2 GLU 44 OK 12 66 - 18 - 3092/1.8=5, 3.6/3116=2...(8) HD3 PRO 86 + HG2 GLU 69 OK 12 61 - 20 - 3118/1.8=2, ~10802=2...(7) HA GLU 75 - HG2 GLU 44 lone 3 62 - 4 - HB3 SER 97 - HG2 GLU 69 lone 2 90 - 2 - HB3 SER 97 - HG2 GLU 44 lone 1 53 - 1 - HD2 PRO 86 - HG2 GLU 44 lone 1 36 - 2 - HD3 PRO 86 - HG2 GLU 44 lone 1 33 - 2 - Peak 3112 from cnoeabs.peaks (2.13, 2.13, 35.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG2 GLU 69 + HG2 GLU 69 OK 100 100 - 100 HG2 GLU 44 + HG2 GLU 44 OK 59 59 - 100 Reference assignment not found: HB2 GLU 69 - HG2 GLU 69 Peak 3113 from cnoeabs.peaks (2.13, 2.13, 35.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG2 GLU 69 + HG2 GLU 69 OK 100 100 - 100 HG2 GLU 44 + HG2 GLU 44 OK 59 59 - 100 Reference assignment not found: HB3 GLU 69 - HG2 GLU 69 Peak 3114 from cnoeabs.peaks (2.13, 2.13, 35.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 69 + HG2 GLU 69 OK 100 100 - 100 HG2 GLU 44 + HG2 GLU 44 OK 59 59 - 100 Peak 3115 from cnoeabs.peaks (2.34, 2.13, 35.91 ppm; 2.40 A): 2 out of 10 assignments used, quality = 1.00: * HG3 GLU 69 + HG2 GLU 69 OK 100 100 - 100 - 1.8=100 HG3 GLU 44 + HG2 GLU 44 OK 49 49 - 100 - 1.8=100 HG3 GLU 44 - HG2 GLU 69 OK 11 84 - 13 - 2028=3, 4.0/1995=1...(7) HG2 GLU 16 - HG2 GLU 69 lone 7 100 - 7 - 3119=1 HG3 GLU 69 - HG2 GLU 44 poor 7 66 - 11 - 3120=2, 1996/4.0=1...(4) HG2 GLU 48 - HG2 GLU 69 lone 4 97 - 4 - HG2 GLU 16 - HG2 GLU 44 lone 1 65 - 2 - HG3 GLU 43 - HG2 GLU 69 lone 1 65 - 1 - HG3 GLU 43 - HG2 GLU 44 lone 1 36 - 2 - 6709/4.8=1 HG2 GLU 48 - HG2 GLU 44 lone 0 61 - 1 - Peak 3116 from cnoeabs.peaks (7.96, 2.13, 35.91 ppm; 3.82 A): 4 out of 4 assignments used, quality = 0.82: * H LEU 70 + HG2 GLU 69 OK 66 100 - 66 - 3123/1.8=19, 7144/4.1=17...(11) H LEU 42 + HG2 GLU 69 OK 25 100 - 25 - 3123/1.8=7, 3093/4.1=5...(6) H LEU 70 + HG2 GLU 44 OK 16 66 - 24 - 6702/4.8=5, 7148/1.8=5...(8) H LEU 42 + HG2 GLU 44 OK 15 65 - 23 - 6679/4.8=12, 6667/4.0=5...(4) Peak 3117 from cnoeabs.peaks (7.90, 2.34, 35.91 ppm; 3.75 A): 4 out of 9 assignments used, quality = 0.90: * H GLU 69 + HG3 GLU 69 OK 83 100 - 83 - 5.1=40, 3110/1.8=28...(10) H GLN 72 + HG3 GLU 69 OK 24 98 - 25 - 9554/4.1=8, 3110/1.8=7...(7) H GLU 69 + HG2 GLU 16 OK 13 98 - 13 - 7136=5, 3.0/3092=3...(5) H GLN 72 + HG2 GLU 16 OK 12 95 - 13 - 7172/3.0=3, ~695=2...(6) H GLU 69 - HG2 GLU 48 lone 6 72 - 8 - 7136=3, 3.0/3092=2 H ASP 65 - HG3 GLU 69 lone 4 65 - 6 - 3110/1.8=2, 3087/4.1=1...(4) H GLN 72 - HG2 GLU 48 lone 3 68 - 4 - 7174/1.8=1 H ASP 65 - HG2 GLU 16 lone 1 61 - 1 - H ASP 65 - HG2 GLU 48 lone 1 40 - 2 - Peak 3118 from cnoeabs.peaks (4.00, 2.34, 35.91 ppm; 3.24 A): 4 out of 15 assignments used, quality = 0.87: * HA GLU 69 + HG3 GLU 69 OK 81 100 - 81 - 4.1=50, 3111/1.8=19...(12) HA GLU 75 + HG3 GLU 69 OK 17 98 - 18 - 3111/1.8=5, 3376/3.0=3...(6) HA GLU 69 + HG2 GLU 16 OK 12 98 - 12 - 3092=4, 3.0/7136=2...(5) HD2 PRO 86 + HG3 GLU 69 OK 10 65 - 16 - 3111/1.8=3, ~10802=2...(6) HD3 PRO 86 - HG3 GLU 69 poor 10 61 - 16 - 3111/1.8=3, ~10802=2...(6) HA GLU 75 - HG2 GLU 16 lone 8 95 - 8 - 2.9/717=1 HA GLU 69 - HG2 GLU 48 lone 5 72 - 7 - 3092=2, 3.0/7136=1 HB3 SER 97 - HG3 GLU 69 lone 2 90 - 2 - HA GLU 75 - HG2 GLU 48 lone 1 68 - 2 - HB3 SER 97 - HG2 GLU 16 lone 1 85 - 1 - HD2 PRO 86 - HG2 GLU 48 lone 1 40 - 1 - HD2 PRO 86 - HG2 GLU 16 lone 1 61 - 1 - HD3 PRO 86 - HG2 GLU 48 lone 1 37 - 1 - HD3 PRO 86 - HG2 GLU 16 lone 0 57 - 1 - HB3 SER 97 - HG2 GLU 48 lone 0 59 - 1 - Peak 3119 from cnoeabs.peaks (2.13, 2.34, 35.91 ppm; 2.40 A): 3 out of 33 assignments used, quality = 1.00: HG2 GLU 69 + HG3 GLU 69 OK 100 100 - 100 - 1.8=100 HB3 GLU 69 + HG3 GLU 69 OK 67 100 - 67 - 3.0=52, 3.0/3092=8...(11) * HB2 GLU 69 + HG3 GLU 69 OK 67 100 - 67 - 3.0=52, 3.0/3092=8...(11) HG2 GLU 44 - HG3 GLU 69 OK 11 96 - 11 - 3115=2, 4.0/1996=1 HG2 GLU 69 - HG2 GLU 16 lone 8 98 - 8 - 3115=2 HB2 PRO 86 - HG3 GLU 69 lone 8 97 - 8 - HB2 GLU 75 - HG3 GLU 69 lone 7 94 - 8 - 2.9/3118=2, 3382/4.1=1 HB2 GLU 69 - HG2 GLU 16 lone 7 98 - 7 - 3.0/3092=1, 3108=1 HB3 GLU 69 - HG2 GLU 16 lone 7 98 - 7 - 3.0/3092=1, 3108=1 HG2 GLU 69 - HG2 GLU 48 lone 4 72 - 5 - 3115=1 HB2 GLU 69 - HG2 GLU 48 lone 3 72 - 4 - HB3 GLU 69 - HG2 GLU 48 lone 3 72 - 4 - HB2 GLU 75 - HG2 GLU 16 lone 3 90 - 3 - HG2 GLU 44 - HG2 GLU 16 lone 2 92 - 2 - HB2 LEU 64 - HG3 GLU 69 lone 2 81 - 2 - HG2 GLU 88 - HG2 GLU 16 lone 1 73 - 1 - HB3 GLU 37 - HG3 GLU 69 lone 1 100 - 1 - HB2 LEU 64 - HG2 GLU 48 lone 1 51 - 1 - HB2 PRO 86 - HG2 GLU 48 lone 1 67 - 1 - HG2 GLU 44 - HG2 GLU 48 lone 1 65 - 1 - HB2 PRO 86 - HG2 GLU 16 lone 1 93 - 1 - HB VAL 83 - HG3 GLU 69 lone 0 81 - 1 - HB2 LEU 64 - HG2 GLU 16 lone 0 76 - 1 - HG2 GLU 88 - HG3 GLU 69 lone 0 77 - 0 - HB3 GLU 37 - HG2 GLU 48 lone 0 72 - 0 - HB2 GLU 75 - HG2 GLU 48 lone 0 63 - 0 - HB3 GLU 37 - HG2 GLU 16 lone 0 98 - 0 - HG3 GLU 37 - HG3 GLU 69 lone 0 70 - 0 - HB VAL 83 - HG2 GLU 16 lone 0 76 - 0 - HG2 GLU 88 - HG2 GLU 48 lone 0 48 - 0 - HG3 GLU 37 - HG2 GLU 16 lone 0 65 - 0 - HB VAL 83 - HG2 GLU 48 lone 0 51 - 0 - HG3 GLU 37 - HG2 GLU 48 lone 0 43 - 0 - Peak 3120 from cnoeabs.peaks (2.13, 2.34, 35.91 ppm; 2.40 A): 3 out of 33 assignments used, quality = 1.00: HG2 GLU 69 + HG3 GLU 69 OK 100 100 - 100 - 1.8=100 * HB3 GLU 69 + HG3 GLU 69 OK 67 100 - 67 - 3.0=52, 3.0/3092=8...(11) HB2 GLU 69 + HG3 GLU 69 OK 67 100 - 67 - 3.0=52, 3.0/3092=8...(11) HG2 GLU 44 - HG3 GLU 69 OK 11 96 - 11 - 3115=2, 4.0/1996=1 HG2 GLU 69 - HG2 GLU 16 lone 8 98 - 8 - 3115=2 HB2 PRO 86 - HG3 GLU 69 lone 8 97 - 8 - HB2 GLU 75 - HG3 GLU 69 lone 7 94 - 8 - 2.9/3118=2, 3382/4.1=1 HB2 GLU 69 - HG2 GLU 16 lone 7 98 - 7 - 3.0/3092=1, 3108=1 HB3 GLU 69 - HG2 GLU 16 lone 7 98 - 7 - 3.0/3092=1, 3108=1 HG2 GLU 69 - HG2 GLU 48 lone 4 72 - 5 - 3115=1 HB2 GLU 69 - HG2 GLU 48 lone 3 72 - 4 - HB3 GLU 69 - HG2 GLU 48 lone 3 72 - 4 - HB2 GLU 75 - HG2 GLU 16 lone 3 90 - 3 - HG2 GLU 44 - HG2 GLU 16 lone 2 92 - 2 - HB2 LEU 64 - HG3 GLU 69 lone 2 81 - 2 - HG2 GLU 88 - HG2 GLU 16 lone 1 73 - 1 - HB3 GLU 37 - HG3 GLU 69 lone 1 100 - 1 - HB2 LEU 64 - HG2 GLU 48 lone 1 51 - 1 - HB2 PRO 86 - HG2 GLU 48 lone 1 67 - 1 - HG2 GLU 44 - HG2 GLU 48 lone 1 65 - 1 - HB2 PRO 86 - HG2 GLU 16 lone 1 93 - 1 - HB VAL 83 - HG3 GLU 69 lone 0 81 - 1 - HB2 LEU 64 - HG2 GLU 16 lone 0 76 - 1 - HG2 GLU 88 - HG3 GLU 69 lone 0 77 - 0 - HB3 GLU 37 - HG2 GLU 48 lone 0 72 - 0 - HB2 GLU 75 - HG2 GLU 48 lone 0 63 - 0 - HB3 GLU 37 - HG2 GLU 16 lone 0 98 - 0 - HG3 GLU 37 - HG3 GLU 69 lone 0 70 - 0 - HB VAL 83 - HG2 GLU 16 lone 0 76 - 0 - HG2 GLU 88 - HG2 GLU 48 lone 0 48 - 0 - HG3 GLU 37 - HG2 GLU 16 lone 0 65 - 0 - HB VAL 83 - HG2 GLU 48 lone 0 51 - 0 - HG3 GLU 37 - HG2 GLU 48 lone 0 43 - 0 - Peak 3121 from cnoeabs.peaks (2.13, 2.34, 35.91 ppm; 2.40 A): 3 out of 33 assignments used, quality = 1.00: * HG2 GLU 69 + HG3 GLU 69 OK 100 100 - 100 - 1.8=100 HB3 GLU 69 + HG3 GLU 69 OK 67 100 - 67 - 3.0=52, 3.0/3092=8...(11) HB2 GLU 69 + HG3 GLU 69 OK 67 100 - 67 - 3.0=52, 3.0/3092=8...(11) HG2 GLU 44 - HG3 GLU 69 OK 11 96 - 11 - 3115=2, 4.0/1996=1 HG2 GLU 69 - HG2 GLU 16 lone 8 98 - 8 - 3115=2 HB2 PRO 86 - HG3 GLU 69 lone 8 97 - 8 - HB2 GLU 75 - HG3 GLU 69 lone 7 94 - 8 - 2.9/3118=2, 3382/4.1=1 HB2 GLU 69 - HG2 GLU 16 lone 7 98 - 7 - 3.0/3092=1, 3108=1 HB3 GLU 69 - HG2 GLU 16 lone 7 98 - 7 - 3.0/3092=1, 3108=1 HG2 GLU 69 - HG2 GLU 48 lone 4 72 - 5 - 3115=1 HB2 GLU 69 - HG2 GLU 48 lone 3 72 - 4 - HB3 GLU 69 - HG2 GLU 48 lone 3 72 - 4 - HB2 GLU 75 - HG2 GLU 16 lone 3 90 - 3 - HG2 GLU 44 - HG2 GLU 16 lone 2 92 - 2 - HB2 LEU 64 - HG3 GLU 69 lone 2 81 - 2 - HG2 GLU 88 - HG2 GLU 16 lone 1 73 - 1 - HB3 GLU 37 - HG3 GLU 69 lone 1 100 - 1 - HB2 LEU 64 - HG2 GLU 48 lone 1 51 - 1 - HB2 PRO 86 - HG2 GLU 48 lone 1 67 - 1 - HG2 GLU 44 - HG2 GLU 48 lone 1 65 - 1 - HB2 PRO 86 - HG2 GLU 16 lone 1 93 - 1 - HB VAL 83 - HG3 GLU 69 lone 0 81 - 1 - HB2 LEU 64 - HG2 GLU 16 lone 0 76 - 1 - HG2 GLU 88 - HG3 GLU 69 lone 0 77 - 0 - HB3 GLU 37 - HG2 GLU 48 lone 0 72 - 0 - HB2 GLU 75 - HG2 GLU 48 lone 0 63 - 0 - HB3 GLU 37 - HG2 GLU 16 lone 0 98 - 0 - HG3 GLU 37 - HG3 GLU 69 lone 0 70 - 0 - HB VAL 83 - HG2 GLU 16 lone 0 76 - 0 - HG2 GLU 88 - HG2 GLU 48 lone 0 48 - 0 - HG3 GLU 37 - HG2 GLU 16 lone 0 65 - 0 - HB VAL 83 - HG2 GLU 48 lone 0 51 - 0 - HG3 GLU 37 - HG2 GLU 48 lone 0 43 - 0 - Peak 3122 from cnoeabs.peaks (2.34, 2.34, 35.91 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 69 + HG3 GLU 69 OK 100 100 - 100 HG2 GLU 16 + HG2 GLU 16 OK 98 98 - 100 HG2 GLU 48 + HG2 GLU 48 OK 67 67 - 100 Peak 3123 from cnoeabs.peaks (7.96, 2.34, 35.91 ppm; 4.09 A): 3 out of 6 assignments used, quality = 0.81: * H LEU 70 + HG3 GLU 69 OK 70 100 - 70 - 3116/1.8=22, 3.6/3092=22...(8) H LEU 42 + HG3 GLU 69 OK 28 100 - 27 - 3116/1.8=9, 3093/4.1=5...(6) H LEU 70 + HG2 GLU 16 OK 12 98 - 12 - 3.6/3092=3, 7148=3, 4.6/7136=2 H LEU 42 - HG2 GLU 48 lone 6 72 - 8 - 6679/4.9=3, 6668/3.0=2 H LEU 70 - HG2 GLU 48 lone 6 72 - 7 - 3.6/3092=2, 7148=2, 4.6/7136=1 H LEU 42 - HG2 GLU 16 lone 5 98 - 5 - Peak 3124 from cnoeabs.peaks (7.96, 4.02, 57.49 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + HA LEU 70 OK 100 100 - 100 - 3.0=100 H LEU 42 - HA LEU 70 OK 45 100 - 45 - 3142/3.0=9, 3133/3.0=9...(10) Peak 3125 from cnoeabs.peaks (4.02, 4.02, 57.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + HA LEU 70 OK 100 100 - 100 Peak 3126 from cnoeabs.peaks (1.37, 4.02, 57.49 ppm; 3.50 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 70 + HA LEU 70 OK 100 100 - 100 - 3.0=100 HG3 LYS 94 - HA LEU 70 OK 33 87 - 38 - 3.7/10817=5, 7159/3.6=5...(16) HG3 LYS 40 - HA LEU 70 OK 22 92 - 24 - 7150/3.0=4, 3.8/10817=3...(11) HG12 ILE 8 - HA LEU 70 OK 20 98 - 20 - 7150/3.0=2, 3144/3.0=2...(11) HB3 ARG 30 - HA LEU 70 OK 19 100 - 19 - 3144/3.0=3, 8719/4.0=3...(9) HG LEU 14 - HA LEU 70 OK 17 61 - 29 - ~9544=5, 2.1/10814=3...(12) Peak 3127 from cnoeabs.peaks (1.72, 4.02, 57.49 ppm; 3.31 A): 2 out of 14 assignments used, quality = 1.00: * HB3 LEU 70 + HA LEU 70 OK 100 100 - 100 - 3.0=100 HG LEU 70 + HA LEU 70 OK 64 70 - 92 - 3.7=73, 2.1/3167=23...(21) HB ILE 15 - HA LEU 70 OK 24 81 - 30 - 2.1/10122=6, 3136/3.0=3...(17) HD3 LYS 66 - HA LEU 70 OK 17 81 - 21 - ~10778=4, 2.9/10813=3...(8) HB2 LEU 2 - HA LEU 70 OK 13 81 - 16 - 4.6/10810=2, 3.1/3130=2...(6) HD2 ARG 81 - HA LEU 70 lone 7 92 - 7 - HD2 LYS 12 - HA LEU 70 lone 5 77 - 6 - 3.0/9581=1 HD3 LYS 12 - HA LEU 70 lone 5 77 - 6 - 3.0/9581=1 HD3 LYS 13 - HA LEU 70 lone 5 84 - 6 - HD2 LYS 13 - HA LEU 70 lone 4 77 - 5 - HD2 LYS 33 - HA LEU 70 lone 3 94 - 3 - HD3 LYS 33 - HA LEU 70 lone 3 94 - 3 - HD3 LYS 24 - HA LEU 70 lone 3 61 - 4 - HD3 LYS 90 - HA LEU 70 lone 1 61 - 2 - Peak 3128 from cnoeabs.peaks (1.70, 4.02, 57.49 ppm; 3.31 A): 2 out of 18 assignments used, quality = 0.98: * HG LEU 70 + HA LEU 70 OK 93 100 - 93 - 3.7=73, 2.1/3167=23...(21) HB3 LEU 70 + HA LEU 70 OK 70 70 - 100 - 3.0=100 HG12 ILE 15 - HA LEU 70 OK 25 99 - 25 - 3.2/10122=5, 3137/3.0=3...(9) HD3 LYS 66 - HA LEU 70 OK 23 100 - 23 - ~10778=4, 2.9/10813=3...(8) HB2 LEU 2 - HA LEU 70 OK 17 100 - 17 - 4.6/10810=2, 57/4.0=2...(7) HG2 PRO 86 - HA LEU 70 OK 17 98 - 18 - 3150/3.0=3, 3151=2...(7) HB3 LYS 40 - HA LEU 70 OK 16 77 - 21 - 3.0/10817=3, 2.9/3126=2...(10) HD3 LYS 12 - HA LEU 70 lone 8 100 - 7 - 3.0/9581=1 HD2 LYS 12 - HA LEU 70 lone 8 100 - 7 - 3.0/9581=1 HD2 LYS 13 - HA LEU 70 lone 6 100 - 6 - HD3 LYS 13 - HA LEU 70 lone 6 99 - 6 - HD2 LYS 24 - HA LEU 70 lone 5 100 - 5 - HD3 LYS 24 - HA LEU 70 lone 5 100 - 5 - HD3 LYS 90 - HA LEU 70 lone 4 100 - 4 - HB3 ARG 91 - HA LEU 70 lone 3 73 - 3 - HD3 LYS 47 - HA LEU 70 lone 2 70 - 3 - HD2 LYS 47 - HA LEU 70 lone 2 65 - 3 - HB3 LYS 53 - HA LEU 70 lone 1 84 - 1 - Peak 3129 from cnoeabs.peaks (0.81, 4.02, 57.49 ppm; 3.06 A): 2 out of 11 assignments used, quality = 0.96: * QD1 LEU 70 + HA LEU 70 OK 84 100 - 84 - 4.0=44, 2.1/3167=20...(25) QD2 LEU 70 + HA LEU 70 OK 75 96 - 79 - 4.0=44, 3166/3.0=9...(20) QG2 ILE 15 - HA LEU 70 OK 25 98 - 26 - 10122=6, 655/3.0=3...(9) QD2 LEU 2 - HA LEU 70 OK 13 97 - 13 - 3147/3.0=2, 5.0/10810=2...(6) QD1 LEU 57 - HA LEU 70 lone 9 87 - 10 - 2.1/10813=1, 3138/3.0=1 QD1 ILE 76 - HA LEU 70 lone 7 77 - 9 - 10887/3.6=2, 7154/3.0=1 QD2 LEU 57 - HA LEU 70 lone 6 57 - 10 - 2.1/10813=1, 3139/3.0=1 QD2 LEU 38 - HA LEU 70 lone 5 97 - 5 - QG2 VAL 32 - HA LEU 70 lone 3 73 - 5 - QG2 ILE 7 - HA LEU 70 lone 3 70 - 4 - QD2 LEU 103 - HA LEU 70 lone 2 90 - 2 - Peak 3130 from cnoeabs.peaks (0.81, 4.02, 57.49 ppm; 3.06 A): 2 out of 10 assignments used, quality = 0.96: QD1 LEU 70 + HA LEU 70 OK 80 96 - 84 - 4.0=44, 2.1/3167=20...(24) * QD2 LEU 70 + HA LEU 70 OK 79 100 - 79 - 4.0=44, 3166/3.0=10...(20) QG2 ILE 15 - HA LEU 70 OK 26 100 - 26 - 10122=6, 655/3.0=3...(9) QD2 LEU 2 - HA LEU 70 OK 14 100 - 14 - 3148/3.0=2, 5.0/10810=2...(6) QD1 ILE 76 - HA LEU 70 OK 12 97 - 12 - 10887/3.6=3, 9668/4.9=2 QD2 LEU 57 - HA LEU 70 poor 10 87 - 11 - 3139/3.0=1, 2.1/10813=1...(4) QD1 LEU 57 - HA LEU 70 lone 5 57 - 9 - 2.1/10813=1, 3138/3.0=1 QG2 ILE 7 - HA LEU 70 lone 4 94 - 4 - QD2 LEU 38 - HA LEU 70 lone 4 77 - 5 - QD2 LEU 103 - HA LEU 70 lone 1 61 - 2 - Peak 3131 from cnoeabs.peaks (8.26, 4.02, 57.49 ppm; 4.43 A): 2 out of 5 assignments used, quality = 1.00: * H ALA 71 + HA LEU 70 OK 100 100 - 100 - 3.6=100 H LYS 94 + HA LEU 70 OK 68 99 - 69 - 11006=12, 3140/3.0=11...(17) H PHE 45 - HA LEU 70 OK 43 100 - 43 - 7155/3.0=10, 3140/3.0=7...(8) H GLU 23 - HA LEU 70 poor 8 73 - 10 - 7155/3.0=1, 3140/3.0=1 H LEU 27 - HA LEU 70 lone 6 61 - 9 - 4.6/10810=2...(3) Peak 3132 from cnoeabs.peaks (3.85, 1.37, 41.70 ppm; 3.97 A): 4 out of 8 assignments used, quality = 0.95: HA ALA 71 + HB2 LEU 70 OK 68 96 - 71 - 3.0/7159=17, 3141/1.8=11...(19) HA LYS 94 + HB2 LEU 70 OK 57 87 - 66 - 3.0/3140=10, 3141/1.8=9...(23) * HA ALA 67 + HB2 LEU 70 OK 44 100 - 44 - 2979=11, 2978/3.9=9...(10) HA LYS 40 + HB2 LEU 70 OK 37 90 - 42 - 3141/1.8=5, 1773=4...(17) HA LYS 12 - HB2 LEU 70 OK 18 100 - 18 - 392/1.8=5, 7140/3.9=2...(4) HB3 SER 49 - HB2 LEU 70 lone 8 100 - 8 - 3141/1.8=1 HA2 GLY 100 - HB2 LEU 70 lone 6 87 - 7 - HA2 GLY 101 - HB2 LEU 70 lone 5 87 - 6 - Peak 3133 from cnoeabs.peaks (7.96, 1.37, 41.70 ppm; 3.45 A): 2 out of 2 assignments used, quality = 0.94: * H LEU 70 + HB2 LEU 70 OK 89 100 - 89 - 3.9=67, 3142/1.8=26...(14) H LEU 42 + HB2 LEU 70 OK 43 100 - 43 - 3142/1.8=12, 3124/3.0=8...(9) Peak 3134 from cnoeabs.peaks (4.02, 1.37, 41.70 ppm; 3.43 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 70 + HB2 LEU 70 OK 100 100 - 100 - 3.0=100 HA GLU 95 - HB2 LEU 70 OK 35 100 - 35 - 3143/1.8=8, 3167/3.1=5...(11) HA GLU 75 - HB2 LEU 70 poor 7 61 - 11 - 3143/1.8=2, 3167/3.1=1...(4) HB3 SER 59 - HB2 LEU 70 lone 4 70 - 6 - Peak 3135 from cnoeabs.peaks (1.37, 1.37, 41.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 70 + HB2 LEU 70 OK 100 100 - 100 Peak 3136 from cnoeabs.peaks (1.72, 1.37, 41.70 ppm; 2.59 A): 2 out of 14 assignments used, quality = 1.00: * HB3 LEU 70 + HB2 LEU 70 OK 100 100 - 100 - 1.8=100 HG LEU 70 + HB2 LEU 70 OK 56 70 - 80 - 3.0=65, 2.1/3138=8...(15) HB ILE 15 - HB2 LEU 70 OK 19 81 - 24 - 2.1/3139=3, ~10122=2...(9) HD3 LYS 66 - HB2 LEU 70 OK 10 81 - 13 - ~12319=2, 3169/3.1=2...(4) HB2 LEU 2 - HB2 LEU 70 poor 9 81 - 12 - 3169/3.1=1, 3161/3.1=1 HD2 ARG 81 - HB2 LEU 70 lone 5 92 - 6 - HD3 LYS 13 - HB2 LEU 70 lone 3 84 - 4 - HD2 LYS 13 - HB2 LEU 70 lone 3 77 - 4 - HD2 LYS 12 - HB2 LEU 70 lone 3 77 - 4 - HD3 LYS 12 - HB2 LEU 70 lone 3 77 - 4 - HD2 LYS 33 - HB2 LEU 70 lone 2 94 - 2 - HD3 LYS 33 - HB2 LEU 70 lone 2 94 - 2 - HD3 LYS 24 - HB2 LEU 70 lone 1 61 - 1 - HD3 LYS 90 - HB2 LEU 70 lone 1 61 - 1 - Peak 3137 from cnoeabs.peaks (1.70, 1.37, 41.70 ppm; 2.59 A): 2 out of 18 assignments used, quality = 0.94: * HG LEU 70 + HB2 LEU 70 OK 81 100 - 81 - 3.0=65, 2.1/3138=8...(15) HB3 LEU 70 + HB2 LEU 70 OK 70 70 - 100 - 1.8=100 HG12 ILE 15 - HB2 LEU 70 OK 21 99 - 21 - 3.2/3139=2, 3170/3.1=2...(8) HD3 LYS 66 - HB2 LEU 70 OK 14 100 - 14 - 10782/3.1=2, 10782/3.1=2...(5) HB3 LYS 40 - HB2 LEU 70 OK 14 77 - 18 - 3.0/3132=2, 1.8/1788=2...(4) HG2 PRO 86 - HB2 LEU 70 OK 13 98 - 13 - 3150/3.9=1, 3152=1 HB2 LEU 2 - HB2 LEU 70 OK 12 100 - 13 - 3170/3.1=1, 57/3.1=1, 3.1/3139=1 HD2 LYS 13 - HB2 LEU 70 lone 4 100 - 4 - HD3 LYS 12 - HB2 LEU 70 lone 4 100 - 4 - HD2 LYS 12 - HB2 LEU 70 lone 4 100 - 4 - HD3 LYS 13 - HB2 LEU 70 lone 4 99 - 4 - HD2 LYS 24 - HB2 LEU 70 lone 2 100 - 2 - HD3 LYS 90 - HB2 LEU 70 lone 2 100 - 2 - HD3 LYS 24 - HB2 LEU 70 lone 2 100 - 2 - HB3 ARG 91 - HB2 LEU 70 lone 1 73 - 2 - HD3 LYS 47 - HB2 LEU 70 lone 1 70 - 2 - HD2 LYS 47 - HB2 LEU 70 lone 1 65 - 2 - HB3 LYS 53 - HB2 LEU 70 lone 1 84 - 1 - Peak 3138 from cnoeabs.peaks (0.81, 1.37, 41.70 ppm; 3.00 A): 2 out of 11 assignments used, quality = 1.00: * QD1 LEU 70 + HB2 LEU 70 OK 95 100 - 95 - 3.1=87, 3147/1.8=12...(17) QD2 LEU 70 + HB2 LEU 70 OK 91 96 - 95 - 3.1=87, 3167/3.0=14...(16) QG2 ILE 15 - HB2 LEU 70 OK 30 98 - 31 - 10122/3.0=5, 655/1.8=4...(11) QD2 LEU 2 - HB2 LEU 70 OK 16 97 - 17 - 3147/1.8=2, 78/3.0=2...(6) QD1 LEU 57 - HB2 LEU 70 OK 13 87 - 15 - 4.6/10693=2, 3147/1.8=2 QD2 LEU 38 - HB2 LEU 70 lone 9 97 - 9 - QD2 LEU 57 - HB2 LEU 70 poor 8 57 - 15 - 4.6/10693=2, 3148/1.8=1 QD1 ILE 76 - HB2 LEU 70 lone 6 77 - 8 - 10887/4.1=2, 3148/1.8=1 QG2 VAL 32 - HB2 LEU 70 lone 5 73 - 7 - 10335=1 QG2 ILE 7 - HB2 LEU 70 lone 4 70 - 6 - QD2 LEU 103 - HB2 LEU 70 lone 2 90 - 2 - Peak 3139 from cnoeabs.peaks (0.81, 1.37, 41.70 ppm; 3.00 A): 2 out of 10 assignments used, quality = 1.00: * QD2 LEU 70 + HB2 LEU 70 OK 95 100 - 95 - 3.1=87, 3167/3.0=15...(16) QD1 LEU 70 + HB2 LEU 70 OK 91 96 - 95 - 3.1=87, 2.1/3137=11...(17) QG2 ILE 15 - HB2 LEU 70 OK 31 100 - 32 - 10122/3.0=5, 655/1.8=5...(11) QD2 LEU 2 - HB2 LEU 70 OK 17 100 - 17 - 3148/1.8=2, 78/3.0=2...(6) QD2 LEU 57 - HB2 LEU 70 OK 14 87 - 16 - 3148/1.8=2, 4.6/10693=2 QD1 ILE 76 - HB2 LEU 70 OK 10 97 - 10 - 10887/4.1=3, 3148/1.8=1 QD1 LEU 57 - HB2 LEU 70 poor 8 57 - 14 - 4.6/10693=2, 3147/1.8=1 QD2 LEU 38 - HB2 LEU 70 lone 6 77 - 8 - QG2 ILE 7 - HB2 LEU 70 lone 6 94 - 7 - QD2 LEU 103 - HB2 LEU 70 lone 1 61 - 2 - Peak 3140 from cnoeabs.peaks (8.26, 1.37, 41.70 ppm; 3.74 A): 2 out of 5 assignments used, quality = 0.96: * H ALA 71 + HB2 LEU 70 OK 91 100 - 91 - 4.1=75, 3149/1.8=19...(15) H LYS 94 + HB2 LEU 70 OK 59 99 - 59 - 3149/1.8=11, 7516=9...(19) H PHE 45 - HB2 LEU 70 OK 38 100 - 38 - 3149/1.8=7, 7159=6...(10) H GLU 23 - HB2 LEU 70 lone 5 73 - 7 - H LEU 27 - HB2 LEU 70 lone 2 61 - 3 - Peak 3141 from cnoeabs.peaks (3.85, 1.72, 41.70 ppm; 3.85 A): 5 out of 8 assignments used, quality = 0.94: HA ALA 71 + HB3 LEU 70 OK 65 96 - 68 - 3.0/3149=15, 3132/1.8=10...(19) HA LYS 94 + HB3 LEU 70 OK 50 87 - 58 - 4175/1.8=9, 3.0/3149=9...(20) * HA ALA 67 + HB3 LEU 70 OK 43 100 - 43 - 2979/1.8=10, 2980=9...(11) HA LYS 40 + HB3 LEU 70 OK 30 90 - 34 - 3132/1.8=5, 7140/3.9=4...(15) HA LYS 12 + HB3 LEU 70 OK 19 100 - 18 - 392=4, 3132/1.8=3...(5) HB3 SER 49 - HB3 LEU 70 lone 8 100 - 8 - 3132/1.8=1 HA2 GLY 100 - HB3 LEU 70 lone 5 87 - 6 - HA2 GLY 101 - HB3 LEU 70 lone 4 87 - 5 - Peak 3142 from cnoeabs.peaks (7.96, 1.72, 41.70 ppm; 3.26 A): 2 out of 2 assignments used, quality = 0.89: * H LEU 70 + HB3 LEU 70 OK 82 100 - 82 - 3.9=57, 3133/1.8=22...(14) H LEU 42 + HB3 LEU 70 OK 38 100 - 38 - 3133/1.8=11, 3124/3.0=7...(7) Peak 3143 from cnoeabs.peaks (4.02, 1.72, 41.70 ppm; 3.42 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 70 + HB3 LEU 70 OK 100 100 - 100 - 3.0=100 HA GLU 95 - HB3 LEU 70 OK 34 100 - 34 - 3134/1.8=8, 3167/3.1=5...(10) HA GLU 75 - HB3 LEU 70 poor 7 61 - 11 - 3134/1.8=2, 3167/3.1=1...(4) HB3 SER 59 - HB3 LEU 70 lone 4 70 - 5 - 3134/1.8=1 Peak 3144 from cnoeabs.peaks (1.37, 1.72, 41.70 ppm; 2.66 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 70 + HB3 LEU 70 OK 100 100 - 100 - 1.8=100 HG3 LYS 94 - HB3 LEU 70 OK 21 87 - 24 - 3.7/3141=2, 3168/3.1=2...(14) HB3 ARG 30 - HB3 LEU 70 OK 14 100 - 14 - ~1323=2, 3168/3.1=2...(7) HG3 LYS 40 - HB3 LEU 70 OK 14 92 - 15 - 3168/3.1=2, 3126/3.0=2...(7) HG LEU 14 - HB3 LEU 70 OK 13 61 - 22 - 2.1/9544=7, ~9543=2...(8) HG12 ILE 8 - HB3 LEU 70 OK 11 98 - 11 - 3126/3.0=1, ~9543=1...(5) Peak 3145 from cnoeabs.peaks (1.72, 1.72, 41.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 70 + HB3 LEU 70 OK 100 100 - 100 Peak 3146 from cnoeabs.peaks (1.70, 1.72, 41.70 ppm; diagonal): 1 out of 1 assignment used, quality = 0.70: HB3 LEU 70 + HB3 LEU 70 OK 70 70 - 100 Reference assignment not found: HG LEU 70 - HB3 LEU 70 Peak 3147 from cnoeabs.peaks (0.81, 1.72, 41.70 ppm; 2.93 A): 2 out of 11 assignments used, quality = 0.99: * QD1 LEU 70 + HB3 LEU 70 OK 92 100 - 92 - 3.1=81, 3138/1.8=11...(16) QD2 LEU 70 + HB3 LEU 70 OK 87 96 - 91 - 3.1=81, 3167/3.0=13...(14) QG2 ILE 15 - HB3 LEU 70 OK 32 98 - 33 - 10122/3.0=5, 655=4...(12) QD2 LEU 2 - HB3 LEU 70 OK 18 97 - 19 - 3138/1.8=2, 78/3.0=2...(6) QD1 LEU 57 - HB3 LEU 70 OK 12 87 - 13 - 3138/1.8=2, 2646/3.1=1 QD2 LEU 38 - HB3 LEU 70 lone 7 97 - 7 - QD2 LEU 57 - HB3 LEU 70 poor 7 57 - 12 - 3139/1.8=2 QD1 ILE 76 - HB3 LEU 70 lone 6 77 - 8 - 10887/4.1=2, 3139/1.8=1 QG2 VAL 32 - HB3 LEU 70 lone 4 73 - 5 - QG2 ILE 7 - HB3 LEU 70 lone 4 70 - 5 - QD2 LEU 103 - HB3 LEU 70 lone 2 90 - 2 - Peak 3148 from cnoeabs.peaks (0.81, 1.72, 41.70 ppm; 2.93 A): 2 out of 10 assignments used, quality = 0.99: * QD2 LEU 70 + HB3 LEU 70 OK 91 100 - 91 - 3.1=81, 3167/3.0=14...(14) QD1 LEU 70 + HB3 LEU 70 OK 88 96 - 92 - 3.1=81, 2.1/3169=11...(16) QG2 ILE 15 - HB3 LEU 70 OK 33 100 - 33 - 10122/3.0=5, 655=4...(12) QD2 LEU 2 - HB3 LEU 70 OK 20 100 - 20 - 3139/1.8=2, 78/3.0=2...(6) QD2 LEU 57 - HB3 LEU 70 OK 12 87 - 14 - 3139/1.8=2, 2639/3.1=1 QD1 ILE 76 - HB3 LEU 70 lone 9 97 - 10 - 10887/4.1=3, 3139/1.8=1 QD1 LEU 57 - HB3 LEU 70 poor 7 57 - 12 - 3138/1.8=1 QG2 ILE 7 - HB3 LEU 70 lone 6 94 - 6 - QD2 LEU 38 - HB3 LEU 70 lone 5 77 - 7 - QD2 LEU 103 - HB3 LEU 70 lone 1 61 - 2 - Peak 3149 from cnoeabs.peaks (8.26, 1.72, 41.70 ppm; 3.67 A): 3 out of 5 assignments used, quality = 0.96: * H ALA 71 + HB3 LEU 70 OK 89 100 - 89 - 4.1=71, 7159/1.8=20...(15) H LYS 94 + HB3 LEU 70 OK 50 99 - 50 - 3140/1.8=11, 11006/3.0=7...(14) H PHE 45 + HB3 LEU 70 OK 34 100 - 34 - 3140/1.8=7, 7155/3.9=5...(9) H GLU 23 - HB3 LEU 70 lone 4 73 - 5 - H LEU 27 - HB3 LEU 70 lone 2 61 - 3 - Peak 3150 from cnoeabs.peaks (7.96, 1.70, 27.00 ppm; 3.79 A): 3 out of 4 assignments used, quality = 0.94: * H LEU 70 + HG LEU 70 OK 87 100 - 87 - 4.9=47, 3142/3.0=23...(12) H LEU 42 + HG LEU 70 OK 46 100 - 46 - 3166/2.1=11, 3142/3.0=10...(8) H LEU 70 + HG2 PRO 86 OK 19 61 - 31 - 7139/3.8=5, 7152=5...(12) H LEU 42 - HG2 PRO 86 lone 4 60 - 6 - 10591/1.8=1 Peak 3151 from cnoeabs.peaks (4.02, 1.70, 27.00 ppm; 3.96 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 70 + HG LEU 70 OK 100 100 - 100 - 3.7=100 HA GLU 95 - HG LEU 70 OK 35 100 - 35 - 3167/2.1=9, 3134/3.0=8...(6) HA LEU 70 - HG2 PRO 86 OK 15 61 - 24 - 3.0/3150=4, 3128=3...(12) HA GLU 75 - HG2 PRO 86 poor 8 30 - 27 - ~10953=3, ~3827=3...(16) HA GLU 75 - HG LEU 70 poor 8 61 - 12 - 3167/2.1=2, 3134/3.0=2...(6) HB3 SER 59 - HG LEU 70 lone 4 70 - 6 - 3167/2.1=2, 3159/2.1=1 HA GLU 95 - HG2 PRO 86 lone 4 60 - 6 - 4276/1.8=1 HB3 SER 59 - HG2 PRO 86 lone 0 35 - 1 - Peak 3152 from cnoeabs.peaks (1.37, 1.70, 27.00 ppm; 3.62 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LEU 70 + HG LEU 70 OK 100 100 - 100 - 3.0=100 HG3 LYS 94 - HG LEU 70 OK 35 87 - 40 - 3168/2.1=6, 3160/2.1=5...(16) HG3 LYS 40 - HG LEU 70 OK 26 92 - 29 - 3168/2.1=4, 3160/2.1=3...(13) HB3 ARG 30 - HG LEU 70 OK 22 100 - 22 - 3168/2.1=4, 3160/2.1=3...(9) HG LEU 14 - HG LEU 70 OK 21 61 - 35 - 2.1/9545=7, ~9544=6...(12) HG LEU 14 - HG2 PRO 86 OK 18 30 - 61 - ~12017=9, 2.1/9545=8...(20) HG12 ILE 8 - HG LEU 70 OK 18 98 - 18 - 3168/2.1=3, 3160/2.1=3...(7) HB2 LEU 70 - HG2 PRO 86 OK 17 61 - 27 - 3137=3, 3.9/3150=2...(11) HG3 LYS 94 - HG2 PRO 86 poor 7 46 - 15 - 12253/2.3=2, ~9882=2...(6) HG3 LYS 40 - HG2 PRO 86 lone 2 50 - 4 - HG12 ILE 8 - HG2 PRO 86 lone 2 57 - 3 - HB3 ARG 30 - HG2 PRO 86 lone 1 60 - 2 - Peak 3153 from cnoeabs.peaks (1.72, 1.70, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 0.70: HG LEU 70 + HG LEU 70 OK 70 70 - 100 Reference assignment not found: HB3 LEU 70 - HG LEU 70 Peak 3154 from cnoeabs.peaks (1.70, 1.70, 27.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 70 + HG LEU 70 OK 100 100 - 100 HG2 PRO 86 + HG2 PRO 86 OK 57 57 - 100 Peak 3155 from cnoeabs.peaks (0.81, 1.70, 27.00 ppm; 3.05 A): 2 out of 22 assignments used, quality = 1.00: * QD1 LEU 70 + HG LEU 70 OK 100 100 - 100 - 2.1=100 QD2 LEU 70 + HG LEU 70 OK 96 96 - 100 - 2.1=100 QG2 ILE 15 - HG LEU 70 OK 34 98 - 35 - 10122/3.7=5, 657=4...(16) QD2 LEU 2 - HG LEU 70 OK 25 97 - 25 - 78=3, 2.1/70=3, 2.1/86=3...(10) QD1 LEU 57 - HG LEU 70 OK 14 87 - 16 - 2.1/10959=2, 2646/2.1=2...(6) QD1 LEU 70 - HG2 PRO 86 OK 12 61 - 20 - ~10278=2, 9548/1.8=2...(8) QD2 LEU 70 - HG2 PRO 86 OK 11 54 - 20 - 10278/2.3=3, 3170=2...(8) QD2 LEU 38 - HG LEU 70 OK 10 97 - 10 - ~10278=1 QD2 LEU 2 - HG2 PRO 86 poor 10 55 - 18 - 78=2, 2.1/70=2...(8) QD2 LEU 57 - HG LEU 70 poor 9 57 - 15 - 2.1/10959=2, ~2631=1...(4) QD1 ILE 76 - HG LEU 70 lone 6 77 - 7 - QG2 VAL 32 - HG LEU 70 lone 4 73 - 5 - QG2 ILE 7 - HG LEU 70 lone 4 70 - 5 - QG2 ILE 15 - HG2 PRO 86 lone 3 57 - 5 - QD2 LEU 103 - HG LEU 70 lone 3 90 - 3 - QG2 ILE 7 - HG2 PRO 86 lone 2 35 - 7 - ~9891=1, ~9858=1 QG2 VAL 32 - HG2 PRO 86 lone 1 37 - 4 - QD1 LEU 57 - HG2 PRO 86 lone 1 46 - 2 - QD1 ILE 76 - HG2 PRO 86 lone 1 40 - 2 - QD2 LEU 38 - HG2 PRO 86 lone 1 55 - 1 - QD2 LEU 57 - HG2 PRO 86 lone 1 28 - 2 - QD2 LEU 103 - HG2 PRO 86 lone 0 48 - 1 - Peak 3156 from cnoeabs.peaks (0.81, 1.70, 27.00 ppm; 3.05 A): 2 out of 20 assignments used, quality = 1.00: * QD2 LEU 70 + HG LEU 70 OK 100 100 - 100 - 2.1=100 QD1 LEU 70 + HG LEU 70 OK 96 96 - 100 - 2.1=100 QG2 ILE 15 - HG LEU 70 OK 35 100 - 35 - 10122/3.7=5, 657=4...(16) QD2 LEU 2 - HG LEU 70 OK 26 100 - 26 - 78=4, 2.1/70=3, 2.1/86=3...(10) QD2 LEU 57 - HG LEU 70 OK 15 87 - 17 - 2639/2.1=2, 2.1/10959=2...(6) QD2 LEU 70 - HG2 PRO 86 OK 13 61 - 21 - 10278/2.3=4, 3170=3...(8) QD2 LEU 2 - HG2 PRO 86 OK 11 60 - 18 - 78=2, 8058/1.8=2...(8) QD1 LEU 70 - HG2 PRO 86 OK 10 54 - 19 - ~10278=2, 2.1/3170=2...(8) QD1 ILE 76 - HG LEU 70 lone 8 97 - 9 - QD1 LEU 57 - HG LEU 70 poor 8 57 - 14 - 2.1/10959=2, ~2631=1...(4) QD2 LEU 38 - HG LEU 70 poor 8 77 - 10 - ~10278=1 QG2 ILE 7 - HG LEU 70 lone 6 94 - 6 - QG2 ILE 7 - HG2 PRO 86 lone 4 52 - 7 - ~9891=1, ~9858=1 QG2 ILE 15 - HG2 PRO 86 lone 3 60 - 5 - QD1 ILE 76 - HG2 PRO 86 lone 2 55 - 3 - QD2 LEU 103 - HG LEU 70 lone 2 61 - 3 - QD2 LEU 57 - HG2 PRO 86 lone 1 46 - 3 - QD1 LEU 57 - HG2 PRO 86 lone 1 28 - 2 - QD2 LEU 38 - HG2 PRO 86 lone 0 40 - 1 - QD2 LEU 103 - HG2 PRO 86 lone 0 30 - 1 - Peak 3157 from cnoeabs.peaks (8.26, 1.70, 27.00 ppm; 5.04 A): 3 out of 10 assignments used, quality = 0.97: * H ALA 71 + HG LEU 70 OK 83 100 - 83 - 3149/3.0=22, 7159/3.0=21...(15) H LYS 94 + HG LEU 70 OK 71 99 - 71 - 3173/2.1=13, 3140/3.0=13...(17) H PHE 45 + HG LEU 70 OK 45 100 - 45 - 3140/3.0=9, 3149/3.0=8...(10) H LYS 94 - HG2 PRO 86 poor 10 59 - 16 - 11007/1.8=3, ~4183=3 H ALA 71 - HG2 PRO 86 poor 10 61 - 16 - 4.6/3150=4, 3.6/3151=3...(4) H GLU 23 - HG LEU 70 lone 7 73 - 9 - 3173/2.1=2, 3131/3.7=1...(4) H PHE 45 - HG2 PRO 86 lone 4 61 - 7 - H LEU 27 - HG LEU 70 lone 3 61 - 5 - H GLU 23 - HG2 PRO 86 lone 2 37 - 6 - 4.6/6388=1 H LEU 27 - HG2 PRO 86 lone 1 30 - 2 - Peak 3158 from cnoeabs.peaks (7.96, 0.81, 25.21 ppm; 5.79 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 70 + QD1 LEU 70 OK 100 100 - 100 - 4.6=100 H LEU 42 + QD1 LEU 70 OK 66 100 - 66 - 3166/2.1=18, 3133/3.1=16...(9) H LEU 42 - QD2 LEU 38 OK 18 49 - 36 - ~8933=9, 6662/3.8=7...(9) H LEU 70 - QD2 LEU 38 poor 7 49 - 14 - 6638/8862=2, 3.9/3138=1...(7) Peak 3159 from cnoeabs.peaks (4.02, 0.81, 25.21 ppm; 5.12 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 70 + QD1 LEU 70 OK 100 100 - 100 - 4.0=100 HA GLU 95 + QD1 LEU 70 OK 50 100 - 50 - 3134/3.1=11, 3143/3.1=11...(10) HA GLU 75 - QD1 LEU 70 OK 14 61 - 22 - 2.9/10812=4, 3167/2.1=2...(7) HB3 SER 59 - QD1 LEU 70 poor 9 70 - 13 - 4.6/9419=3, 4.0/9396=2...(6) HA LEU 70 - QD2 LEU 38 poor 7 49 - 13 - 10817/3.8=2, 3.0/3138=1...(6) HA GLU 75 - QD2 LEU 38 poor 5 24 - 22 - ~1641=4, ~1665=4...(6) HA GLU 95 - QD2 LEU 38 lone 3 48 - 7 - 11014/3.8=2 HB3 SER 59 - QD2 LEU 38 lone 1 28 - 4 - 4.6/9419=1 Peak 3160 from cnoeabs.peaks (1.37, 0.81, 25.21 ppm; 3.44 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LEU 70 + QD1 LEU 70 OK 100 100 - 100 - 3.1=100 HG3 LYS 94 - QD1 LEU 70 OK 36 87 - 41 - 3.0/11009=7, 3168/2.1=5...(16) HB3 ARG 30 - QD1 LEU 70 OK 24 100 - 24 - 3168/2.1=4, 1.8/8716=3...(11) HG3 LYS 40 - QD1 LEU 70 OK 23 92 - 26 - 3168/2.1=4, 3152/2.1=3...(12) HG LEU 14 - QD1 LEU 70 OK 18 61 - 30 - ~9544=5, ~9545=4...(11) HG12 ILE 8 - QD1 LEU 70 OK 17 98 - 17 - 3168/2.1=3, 3144/3.1=2...(7) HG3 LYS 40 - QD2 LEU 38 OK 12 40 - 29 - ~12070=3, 4.9/8862=3...(16) HB2 LEU 70 - QD2 LEU 38 poor 6 49 - 12 - 3138=2, ~10278=1, 1.8/3147=1 HG12 ILE 8 - QD2 LEU 38 lone 5 46 - 10 - ~12202=1, ~8857=1...(4) HB3 ARG 30 - QD2 LEU 38 lone 1 49 - 3 - HG3 LYS 94 - QD2 LEU 38 lone 1 37 - 4 - HG LEU 14 - QD2 LEU 38 lone 1 24 - 5 - ~8856=1, ~8857=1 Peak 3161 from cnoeabs.peaks (1.72, 0.81, 25.21 ppm; 3.68 A): 2 out of 28 assignments used, quality = 1.00: * HB3 LEU 70 + QD1 LEU 70 OK 100 100 - 100 - 3.1=100 HG LEU 70 + QD1 LEU 70 OK 70 70 - 100 - 2.1=100 HB ILE 15 - QD1 LEU 70 OK 42 81 - 53 - 3169/2.1=5, 648=4...(31) HD3 LYS 66 - QD1 LEU 70 OK 35 81 - 44 - ~12319=5, ~10821=4...(19) HB2 LEU 2 - QD1 LEU 70 OK 29 81 - 37 - 1.8/65=3, 3169/2.1=3...(22) HD2 ARG 81 - QD1 LEU 70 OK 15 92 - 16 - 3.4/9748=2, 3.0/9747=2...(5) HD3 LYS 13 - QD1 LEU 70 OK 10 84 - 12 - 3.0/10394=1, ~10394=1 HD2 LYS 13 - QD1 LEU 70 poor 9 77 - 12 - 3.0/10394=1, ~10394=1 HB3 LEU 70 - QD2 LEU 38 poor 7 49 - 13 - ~10278=2, 1.8/3138=1...(4) HD2 LYS 12 - QD1 LEU 70 lone 6 77 - 8 - HD3 LYS 12 - QD1 LEU 70 lone 6 77 - 8 - HD3 LYS 33 - QD1 LEU 70 lone 5 94 - 5 - HD2 LYS 33 - QD1 LEU 70 lone 5 94 - 5 - HD2 ARG 81 - QD2 LEU 38 poor 4 40 - 10 - ~10549=2, 3.4/9748=2...(5) HG LEU 70 - QD2 LEU 38 poor 4 28 - 15 - ~10278=2, ~1663=1...(6) HB ILE 15 - QD2 LEU 38 poor 4 33 - 11 - 4.0/6218=1 HB2 LEU 2 - QD2 LEU 38 lone 3 33 - 10 - ~12040=1, ~12039=1 HD3 LYS 24 - QD1 LEU 70 lone 2 61 - 4 - HD3 LYS 90 - QD1 LEU 70 lone 2 61 - 3 - HD3 LYS 13 - QD2 LEU 38 lone 1 35 - 4 - HD2 LYS 13 - QD2 LEU 38 lone 1 32 - 4 - HD2 LYS 33 - QD2 LEU 38 lone 1 42 - 3 - HD3 LYS 33 - QD2 LEU 38 lone 1 42 - 3 - HD2 LYS 12 - QD2 LEU 38 lone 1 32 - 3 - HD3 LYS 12 - QD2 LEU 38 lone 1 32 - 3 - HD3 LYS 66 - QD2 LEU 38 lone 1 33 - 3 - HD3 LYS 90 - QD2 LEU 38 lone 0 24 - 1 - HD3 LYS 24 - QD2 LEU 38 lone 0 24 - 1 - Peak 3162 from cnoeabs.peaks (1.70, 0.81, 25.21 ppm; 3.68 A): 4 out of 36 assignments used, quality = 1.00: * HG LEU 70 + QD1 LEU 70 OK 100 100 - 100 - 2.1=100 HB3 LEU 70 + QD1 LEU 70 OK 70 70 - 100 - 3.1=100 HG12 ILE 15 + QD1 LEU 70 OK 50 99 - 51 - 1.8/672=5, 2.1/680=5...(28) HD3 LYS 66 + QD1 LEU 70 OK 46 100 - 47 - 10782=6, 10782/2.1=5...(19) HB2 LEU 2 - QD1 LEU 70 OK 39 100 - 39 - 57=4, 1.8/65=3, 57/2.1=3...(22) HG2 PRO 86 - QD1 LEU 70 OK 27 98 - 28 - ~10278=3, 1.8/9548=3...(16) HB3 LYS 40 - QD1 LEU 70 OK 26 77 - 34 - 3.0/9540=3, 2.9/3160=3...(19) HD2 LYS 13 - QD1 LEU 70 OK 13 100 - 13 - 3.0/10394=1, ~10394=1 HB3 LYS 40 - QD2 LEU 38 OK 13 32 - 42 - ~1781=4, 4.1/8862=4...(24) HD3 LYS 13 - QD1 LEU 70 OK 13 99 - 13 - 3.0/10394=1, ~10394=1 HD3 LYS 12 - QD1 LEU 70 lone 10 100 - 10 - HD2 LYS 12 - QD1 LEU 70 lone 10 100 - 10 - HB3 ARG 91 - QD2 LEU 38 poor 9 30 - 29 - ~4030=3, 3.0/10167=2...(14) HG LEU 70 - QD2 LEU 38 poor 8 49 - 16 - ~10278=2, 3155=1...(7) HD3 LYS 90 - QD1 LEU 70 lone 5 100 - 5 - HB2 LEU 2 - QD2 LEU 38 poor 5 48 - 11 - ~12040=1, ~12039=1 HD2 LYS 24 - QD1 LEU 70 lone 5 100 - 5 - HD3 LYS 24 - QD1 LEU 70 lone 5 100 - 5 - HG12 ILE 15 - QD2 LEU 38 lone 5 47 - 10 - HB3 LEU 70 - QD2 LEU 38 poor 3 28 - 12 - ~10278=2, 1.8/3138=1, 3.0/3155=1 HB3 ARG 91 - QD1 LEU 70 lone 3 73 - 4 - HD3 LYS 47 - QD1 LEU 70 lone 3 70 - 4 - HD2 LYS 47 - QD1 LEU 70 lone 2 65 - 4 - HB3 LYS 53 - QD2 LEU 38 lone 2 35 - 6 - HD2 LYS 13 - QD2 LEU 38 lone 2 49 - 4 - HD3 LYS 13 - QD2 LEU 38 lone 2 48 - 4 - HD3 LYS 12 - QD2 LEU 38 lone 2 49 - 4 - HD2 LYS 12 - QD2 LEU 38 lone 2 49 - 4 - HB3 LYS 53 - QD1 LEU 70 lone 2 84 - 2 - HD3 LYS 66 - QD2 LEU 38 lone 2 48 - 3 - HG2 PRO 86 - QD2 LEU 38 lone 1 46 - 2 - HD3 LYS 47 - QD2 LEU 38 lone 1 28 - 4 - HD3 LYS 90 - QD2 LEU 38 lone 1 49 - 2 - HD2 LYS 47 - QD2 LEU 38 lone 1 26 - 3 - HD3 LYS 24 - QD2 LEU 38 lone 1 49 - 1 - HD2 LYS 24 - QD2 LEU 38 lone 1 48 - 1 - Peak 3163 from cnoeabs.peaks (0.81, 0.81, 25.21 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 70 + QD1 LEU 70 OK 100 100 - 100 QD2 LEU 38 - QD2 LEU 38 OK 45 45 - 100 Peak 3164 from cnoeabs.peaks (0.81, 0.81, 25.21 ppm; diagonal): 1 out of 2 assignments used, quality = 0.96: QD1 LEU 70 + QD1 LEU 70 OK 96 96 - 100 QD2 LEU 38 - QD2 LEU 38 OK 32 32 - 100 Reference assignment not found: QD2 LEU 70 - QD1 LEU 70 Peak 3165 from cnoeabs.peaks (8.26, 0.81, 25.21 ppm; 6.50 A): 3 out of 10 assignments used, quality = 0.99: * H ALA 71 + QD1 LEU 70 OK 91 100 - 91 - 3149/3.1=25, 3140/3.1=23...(18) H LYS 94 + QD1 LEU 70 OK 85 99 - 86 - 11006/4.0=18...(17) H PHE 45 + QD1 LEU 70 OK 58 100 - 58 - 7155/4.6=11, 3173/2.1=10...(11) H GLU 23 - QD1 LEU 70 OK 10 73 - 14 - 3173/2.1=2, 3131/4.0=2...(6) H LYS 94 - QD2 LEU 38 poor 8 48 - 17 - 7502/3.8=2, ~1635=1...(5) H ALA 71 - QD2 LEU 38 poor 7 49 - 14 - 4.1/3138=2, 3.6/3159=2...(5) H LEU 27 - QD1 LEU 70 lone 5 61 - 8 - 3131/4.0=1 H PHE 45 - QD2 LEU 38 lone 4 49 - 8 - 6721/3.8=1 H GLU 23 - QD2 LEU 38 poor 3 30 - 11 - ~10463=5, ~1014=1 H LEU 27 - QD2 LEU 38 lone 1 24 - 5 - ~1182=1 Peak 3166 from cnoeabs.peaks (7.96, 0.81, 24.20 ppm; 4.20 A): 2 out of 2 assignments used, quality = 0.98: * H LEU 70 + QD2 LEU 70 OK 97 100 - 97 - 4.6=78, 3.0/3167=28...(13) H LEU 42 + QD2 LEU 70 OK 54 100 - 54 - 6663/10822=12...(7) Peak 3167 from cnoeabs.peaks (4.02, 0.81, 24.20 ppm; 3.27 A): 2 out of 4 assignments used, quality = 0.91: * HA LEU 70 + QD2 LEU 70 OK 87 100 - 87 - 4.0=54, 3129/2.1=13...(21) HA GLU 95 + QD2 LEU 70 OK 25 100 - 26 - 3134/3.1=6, 3143/3.1=5...(6) HA GLU 75 - QD2 LEU 70 lone 6 61 - 9 - 3134/3.1=1, 3143/3.1=1 HB3 SER 59 - QD2 LEU 70 lone 4 70 - 6 - 4.0/9396=1, 4.6/9419=1 Peak 3168 from cnoeabs.peaks (1.37, 0.81, 24.20 ppm; 3.18 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 70 + QD2 LEU 70 OK 100 100 - 100 - 3.1=100 HG3 LYS 94 - QD2 LEU 70 OK 29 87 - 34 - 3160/2.1=4, 3.0/11009=4...(15) HB3 ARG 30 - QD2 LEU 70 OK 21 100 - 21 - 3160/2.1=3, 3144/3.1=2...(9) HG3 LYS 40 - QD2 LEU 70 OK 20 92 - 22 - 3160/2.1=3, 3.8/9541=3...(8) HG LEU 14 - QD2 LEU 70 OK 16 61 - 26 - ~9544=4, ~9545=3...(10) HG12 ILE 8 - QD2 LEU 70 OK 15 98 - 15 - 3160/2.1=2, 3144/3.1=2...(6) Peak 3169 from cnoeabs.peaks (1.72, 0.81, 24.20 ppm; 2.86 A): 2 out of 14 assignments used, quality = 0.97: * HB3 LEU 70 + QD2 LEU 70 OK 90 100 - 90 - 3.1=76, 3.0/3167=14...(16) HG LEU 70 + QD2 LEU 70 OK 70 70 - 100 - 2.1=100 HB ILE 15 - QD2 LEU 70 OK 28 81 - 35 - 648=4, 2.9/672=3...(15) HD3 LYS 66 - QD2 LEU 70 OK 24 81 - 30 - 1.8/12319=4, 2.9/10821=4...(13) HB2 LEU 2 - QD2 LEU 70 OK 18 81 - 23 - 1.8/65=2, 3.0/49=2...(8) HD2 ARG 81 - QD2 LEU 70 lone 8 92 - 8 - HD3 LYS 13 - QD2 LEU 70 lone 6 84 - 7 - 3.0/10394=1 HD2 LYS 13 - QD2 LEU 70 lone 5 77 - 7 - 3.0/10394=1 HD2 LYS 12 - QD2 LEU 70 lone 4 77 - 5 - HD3 LYS 12 - QD2 LEU 70 lone 4 77 - 5 - HD2 LYS 33 - QD2 LEU 70 lone 3 94 - 3 - HD3 LYS 33 - QD2 LEU 70 lone 3 94 - 3 - HD3 LYS 24 - QD2 LEU 70 lone 1 61 - 2 - HD3 LYS 90 - QD2 LEU 70 lone 1 61 - 2 - Peak 3170 from cnoeabs.peaks (1.70, 0.81, 24.20 ppm; 2.86 A): 2 out of 18 assignments used, quality = 1.00: * HG LEU 70 + QD2 LEU 70 OK 100 100 - 100 - 2.1=100 HB3 LEU 70 + QD2 LEU 70 OK 62 70 - 89 - 3.1=76, 3.0/3167=14...(16) HG12 ILE 15 - QD2 LEU 70 OK 34 99 - 35 - 2.1/680=4, 1.8/672=4...(17) HD3 LYS 66 - QD2 LEU 70 OK 31 100 - 32 - 1.8/12319=4, 2.9/10821=4...(13) HB2 LEU 2 - QD2 LEU 70 OK 24 100 - 24 - 1.8/65=2, 57=2, 57/2.1=2...(9) HG2 PRO 86 - QD2 LEU 70 OK 17 98 - 18 - 2.3/10278=3, 3156=2...(6) HB3 LYS 40 - QD2 LEU 70 OK 15 77 - 20 - 3.0/9541=3, 2.9/3168=2...(6) HD2 LYS 13 - QD2 LEU 70 lone 7 100 - 7 - 3.0/10394=1 HD3 LYS 13 - QD2 LEU 70 lone 7 99 - 7 - 3.0/10394=1 HD3 LYS 12 - QD2 LEU 70 lone 7 100 - 7 - HD2 LYS 12 - QD2 LEU 70 lone 7 100 - 7 - HD3 LYS 90 - QD2 LEU 70 lone 3 100 - 3 - HD2 LYS 24 - QD2 LEU 70 lone 3 100 - 3 - HD3 LYS 24 - QD2 LEU 70 lone 3 100 - 3 - HB3 ARG 91 - QD2 LEU 70 lone 2 73 - 3 - HD3 LYS 47 - QD2 LEU 70 lone 2 70 - 3 - HD2 LYS 47 - QD2 LEU 70 lone 2 65 - 2 - HB3 LYS 53 - QD2 LEU 70 lone 1 84 - 1 - Peak 3171 from cnoeabs.peaks (0.81, 0.81, 24.20 ppm; diagonal): 1 out of 1 assignment used, quality = 0.96: QD2 LEU 70 + QD2 LEU 70 OK 96 96 - 100 Reference assignment not found: QD1 LEU 70 - QD2 LEU 70 Peak 3172 from cnoeabs.peaks (0.81, 0.81, 24.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 70 + QD2 LEU 70 OK 100 100 - 100 Peak 3173 from cnoeabs.peaks (8.26, 0.81, 24.20 ppm; 4.73 A): 3 out of 5 assignments used, quality = 0.97: * H ALA 71 + QD2 LEU 70 OK 85 100 - 85 - 3.6/3167=29, 3149/3.1=20...(19) H LYS 94 + QD2 LEU 70 OK 67 99 - 68 - 3140/3.1=12, 3149/3.1=11...(16) H PHE 45 + QD2 LEU 70 OK 42 100 - 42 - 3140/3.1=8, 3149/3.1=8...(11) H GLU 23 - QD2 LEU 70 lone 8 73 - 10 - 3140/3.1=1, 3157/2.1=1...(4) H LEU 27 - QD2 LEU 70 lone 3 61 - 5 - Peak 3174 from cnoeabs.peaks (8.26, 3.85, 55.14 ppm; 3.28 A): 1 out of 10 assignments used, quality = 1.00: * H ALA 71 + HA ALA 71 OK 100 100 - 100 - 3.0=100 H LYS 94 - HA ALA 71 OK 23 99 - 24 - 11006/4.9=4, 7168/3.6=4...(8) H PHE 45 - HA ALA 71 OK 19 100 - 19 - 7164=4, 3178/2.1=3...(8) H ALA 71 - HA ALA 67 OK 16 54 - 30 - 7164=7, 12163/4.8=4...(10) H LYS 94 - HA ALA 67 poor 9 53 - 18 - 12163/4.8=2, 7515/2.1=2...(7) H LEU 27 - HA ALA 71 poor 9 61 - 14 - 4.6/8608=3, 4.0/8639=2...(8) H GLU 23 - HA ALA 71 lone 6 73 - 7 - 7168/3.6=2, 4.6/10829=1 H PHE 45 - HA ALA 67 lone 4 54 - 8 - 7164=1, 6720/3.6=1, 12163/4.8=1 H LEU 27 - HA ALA 67 lone 1 27 - 4 - H GLU 23 - HA ALA 67 lone 1 33 - 3 - 12163/4.8=1 Peak 3175 from cnoeabs.peaks (3.85, 3.85, 55.14 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ALA 71 + HA ALA 71 OK 100 100 - 100 HA ALA 67 + HA ALA 67 OK 48 48 - 100 Peak 3176 from cnoeabs.peaks (1.41, 3.85, 55.14 ppm; 2.73 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 71 + HA ALA 71 OK 100 100 - 100 - 2.1=100 QB ALA 71 - HA ALA 67 poor 7 54 - 13 - 3179=5, 2.9/7164=3, 3.6/7169=2 HG12 ILE 7 - HA ALA 71 lone 5 81 - 6 - 7170/3.6=1 HG12 ILE 7 - HA ALA 67 lone 1 37 - 3 - Peak 3177 from cnoeabs.peaks (7.91, 3.85, 55.14 ppm; 3.86 A): 2 out of 6 assignments used, quality = 1.00: * H GLN 72 + HA ALA 71 OK 100 100 - 100 - 3.6=100 H GLU 69 + HA ALA 71 OK 46 98 - 47 - 7121=12, 7166/3.0=12...(8) H GLU 69 - HA ALA 67 OK 26 51 - 51 - 7122/3.6=21, 7120/3.0=15...(6) H GLN 72 - HA ALA 67 OK 18 54 - 33 - 7169=9, 7115/3.6=7...(8) H ASP 65 - HA ALA 67 OK 16 41 - 40 - 7082/3.0=13, 7115/3.6=8...(7) H ASP 65 - HA ALA 71 lone 7 87 - 8 - 3181/2.1=2, 7166/3.0=1 Peak 3178 from cnoeabs.peaks (8.26, 1.41, 18.49 ppm; 2.91 A): 1 out of 5 assignments used, quality = 0.98: * H ALA 71 + QB ALA 71 OK 98 100 - 98 - 2.9=98, 4.6/7170=10...(5) H PHE 45 - QB ALA 71 OK 12 100 - 12 - 7165=4, 3174/2.1=3...(4) H LYS 94 - QB ALA 71 OK 11 99 - 12 - 3174/2.1=3, 7168/3.6=3, ~4170=1 H LEU 27 - QB ALA 71 lone 4 61 - 6 - 7168/3.6=1, 3174/2.1=1 H GLU 23 - QB ALA 71 lone 3 73 - 4 - 7168/3.6=1 Peak 3179 from cnoeabs.peaks (3.85, 1.41, 18.49 ppm; 2.72 A): 1 out of 6 assignments used, quality = 1.00: * HA ALA 71 + QB ALA 71 OK 100 100 - 100 - 2.1=100 HA ALA 67 - QB ALA 71 OK 12 96 - 12 - 3176=3, 7164/2.9=3, 7169/3.6=2 HA LYS 12 - QB ALA 71 lone 4 94 - 4 - 7164/2.9=1 HA LYS 40 - QB ALA 71 lone 3 61 - 4 - HB3 SER 49 - QB ALA 71 lone 2 90 - 2 - HA ALA 22 - QB ALA 71 lone 2 61 - 3 - Peak 3180 from cnoeabs.peaks (1.41, 1.41, 18.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 71 + QB ALA 71 OK 100 100 - 100 Peak 3181 from cnoeabs.peaks (7.91, 1.41, 18.49 ppm; 3.38 A): 2 out of 3 assignments used, quality = 0.94: * H GLN 72 + QB ALA 71 OK 91 100 - 91 - 3.6=81, 7168/2.9=16...(10) H GLU 69 + QB ALA 71 OK 35 98 - 35 - 7166/2.9=9, 7121/2.1=7...(9) H ASP 65 - QB ALA 71 lone 6 87 - 7 - 7166/2.9=1 Peak 3182 from cnoeabs.peaks (7.91, 4.15, 58.19 ppm; 3.18 A): 1 out of 6 assignments used, quality = 1.00: * H GLN 72 + HA GLN 72 OK 100 100 - 100 - 3.0=100 H GLU 69 - HA GLN 72 OK 42 98 - 43 - 3200/3.0=8, 3191/3.0=8...(12) H GLN 72 - HA LYS 13 OK 12 70 - 17 - 7171=4, 10827/2.9=2...(4) H ASP 65 - HA GLN 72 lone 7 87 - 8 - 3200/3.0=1, 3191/3.0=1...(4) H GLU 69 - HA LYS 13 lone 2 66 - 3 - H ASP 65 - HA LYS 13 lone 1 54 - 2 - Peak 3183 from cnoeabs.peaks (4.15, 4.15, 58.19 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLN 72 + HA GLN 72 OK 100 100 - 100 HA LYS 13 + HA LYS 13 OK 70 70 - 100 Peak 3184 from cnoeabs.peaks (2.16, 4.15, 58.19 ppm; 2.96 A): 1 out of 16 assignments used, quality = 0.99: * HB2 GLN 72 + HA GLN 72 OK 99 100 - 99 - 3.0=98, 3191/3.0=13...(14) HB3 GLU 95 - HA GLN 72 OK 27 99 - 27 - 703=4, 2.9/3187=3...(13) HB3 GLU 16 - HA GLN 72 OK 22 100 - 22 - 703=5, 1.8/695=4...(7) HB3 GLN 50 - HA GLN 72 OK 22 90 - 25 - 703=3, 3202/3.0=3...(11) HB3 GLU 23 - HA GLN 72 OK 18 92 - 19 - 1029=3, 1.8/1021=3...(7) HG2 GLU 75 - HA GLN 72 OK 16 94 - 17 - 4.0/9619=5, 5.0/9618=2...(6) HB3 GLU 16 - HA LYS 13 OK 15 69 - 22 - 1.8/695=6, 703=6...(6) HG3 GLU 75 - HA GLN 72 OK 15 90 - 17 - 4.0/9619=5, 5.0/9618=2...(7) HB2 GLN 72 - HA LYS 13 poor 9 70 - 13 - 3192=3, 1.8/3201=2...(4) HG2 GLU 75 - HA LYS 13 poor 7 61 - 11 - 4.0/9619=3, 5.0/9618=2...(5) HG3 GLU 75 - HA LYS 13 poor 6 57 - 11 - 4.0/9619=3, 5.0/9618=2...(5) HB3 GLU 23 - HA LYS 13 lone 4 59 - 7 - 1.8/1021=1, 1029=1 HB3 GLU 95 - HA LYS 13 lone 1 67 - 2 - HB3 GLN 50 - HA LYS 13 lone 1 57 - 2 - HG2 GLU 104 - HA GLN 72 lone 1 73 - 1 - HG2 GLU 104 - HA LYS 13 lone 0 44 - 1 - Peak 3185 from cnoeabs.peaks (2.23, 4.15, 58.19 ppm; 3.04 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLN 72 + HA GLN 72 OK 100 100 - 100 - 3.0=100 HG2 GLU 17 - HA GLN 72 OK 35 94 - 37 - 7173/3.0=6, 3194/3.0=5...(15) HB3 GLN 72 - HA LYS 13 OK 10 70 - 14 - 3201=3, 1.8/3192=2...(4) HG2 GLU 99 - HA GLN 72 lone 8 81 - 10 - 3194/3.0=1, 7173/3.0=1...(4) HG2 GLU 17 - HA LYS 13 poor 7 61 - 11 - 5.1/10427=2, 751/2.9=2 HG2 GLU 99 - HA LYS 13 lone 0 49 - 1 - Peak 3186 from cnoeabs.peaks (2.42, 4.15, 58.19 ppm; 3.40 A): 3 out of 14 assignments used, quality = 0.95: * HG2 GLN 72 + HA GLN 72 OK 89 100 - 89 - 3.9=69, 1.8/3187=16...(13) HG3 GLU 17 + HA GLN 72 OK 40 99 - 41 - 1.8/3185=9, 762/3.0=6...(14) HG3 MET 1 + HA GLN 72 OK 32 98 - 33 - 30=4, 1.8/23=4, 3.0/16=4...(12) HG3 GLN 50 - HA GLN 72 OK 30 97 - 31 - 3195/3.0=5, 3204/3.0=5...(11) HB2 ASP 11 - HA LYS 13 OK 15 63 - 24 - 8377/3.6=10, 8376/2.9=4...(7) HG3 GLU 99 - HA GLN 72 poor 9 81 - 11 - 1.8/3185=2, 3204/3.0=1...(4) HG3 GLU 17 - HA LYS 13 poor 9 67 - 13 - 5.1/10427=2, 1.8/3185=2...(4) HG2 GLN 72 - HA LYS 13 poor 8 70 - 12 - 3.0/3192=2, 3.0/3201=2...(5) HG3 GLU 48 - HA GLN 72 lone 8 99 - 8 - HB2 ASP 11 - HA GLN 72 lone 4 96 - 5 - HG3 MET 1 - HA LYS 13 lone 4 66 - 6 - 3.0/16=1 HG3 GLU 48 - HA LYS 13 lone 3 67 - 5 - 4.9/6781=1 HG3 GLN 50 - HA LYS 13 lone 2 64 - 3 - HG3 GLU 99 - HA LYS 13 lone 1 49 - 2 - Peak 3187 from cnoeabs.peaks (2.54, 4.15, 58.19 ppm; 3.68 A): 1 out of 6 assignments used, quality = 0.97: * HG3 GLN 72 + HA GLN 72 OK 97 100 - 97 - 3.9=87, 7175/3.0=17...(17) HG2 MET 74 - HA GLN 72 OK 42 92 - 46 - 7175/3.0=8, 4.8/10848=7...(15) HG3 GLU 95 - HA GLN 72 OK 32 87 - 37 - 3196/3.0=7, 3205/3.0=6...(14) HG2 MET 74 - HA LYS 13 OK 11 59 - 19 - 4.8/9618=3, 4.8/10848=3...(10) HG3 GLN 72 - HA LYS 13 OK 10 70 - 15 - 3219=3, 3.0/3192=2...(6) HG3 GLU 95 - HA LYS 13 lone 2 54 - 3 - Peak 3190 from cnoeabs.peaks (7.84, 4.15, 58.19 ppm; 3.47 A): 1 out of 8 assignments used, quality = 0.97: * H LYS 73 + HA GLN 72 OK 97 100 - 97 - 3.6=92, 7196/3.0=23...(10) H ASN 26 - HA GLN 72 OK 30 100 - 30 - 7178/3.0=6, 3199/3.0=5...(9) H LEU 3 - HA GLN 72 OK 17 100 - 17 - 3199/3.0=3, 3208/3.0=3...(9) H LYS 73 - HA LYS 13 OK 12 70 - 18 - 7197=4, 4.7/10848=2...(6) H LEU 3 - HA LYS 13 lone 5 69 - 6 - 4.6/10355=1, 4.6/10354=1 H ASN 26 - HA LYS 13 lone 4 70 - 6 - 4.6/6396=1 H TYR 41 - HA GLN 72 lone 3 65 - 4 - H TYR 41 - HA LYS 13 lone 1 38 - 3 - 6642/2.9=1 Peak 3191 from cnoeabs.peaks (7.91, 2.16, 28.06 ppm; 3.22 A): 2 out of 3 assignments used, quality = 0.92: * H GLN 72 + HB2 GLN 72 OK 85 100 - 85 - 3.9=55, 7173/1.8=28...(11) H GLU 69 + HB2 GLN 72 OK 45 98 - 46 - 3200/1.8=12, 3.0/9560=10...(11) H ASP 65 - HB2 GLN 72 lone 6 87 - 7 - 3200/1.8=2, 3218/3.0=1...(4) Peak 3192 from cnoeabs.peaks (4.15, 2.16, 28.06 ppm; 3.36 A): 1 out of 7 assignments used, quality = 1.00: * HA GLN 72 + HB2 GLN 72 OK 100 100 - 100 - 3.0=100 HA LYS 73 - HB2 GLN 72 OK 42 70 - 60 - 3.0/3199=14, ~7199=11...(18) HA GLU 23 - HB2 GLN 72 OK 25 96 - 26 - 3201/1.8=3, 1015=3...(9) HA MET 1 - HB2 GLN 72 OK 22 100 - 22 - 3201/1.8=4, 6/3.0=3...(12) HA LYS 47 - HB2 GLN 72 OK 19 90 - 21 - ~10839=4, 3201/1.8=3...(7) HA LYS 13 - HB2 GLN 72 OK 18 100 - 17 - 494=3, 3201/1.8=3...(6) HB2 SER 59 - HB2 GLN 72 lone 6 99 - 6 - 3201/1.8=1 Peak 3193 from cnoeabs.peaks (2.16, 2.16, 28.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 72 + HB2 GLN 72 OK 100 100 - 100 Peak 3194 from cnoeabs.peaks (2.23, 2.16, 28.06 ppm; 2.41 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 72 + HB2 GLN 72 OK 100 100 - 100 - 1.8=100 HG2 GLU 17 - HB2 GLN 72 OK 24 94 - 26 - 1.8/3195=4, 3221/3.0=3...(11) HG2 GLU 99 - HB2 GLN 72 lone 6 81 - 7 - Peak 3195 from cnoeabs.peaks (2.42, 2.16, 28.06 ppm; 3.15 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLN 72 + HB2 GLN 72 OK 100 100 - 100 - 3.0=100 HG3 GLU 17 - HB2 GLN 72 OK 42 99 - 43 - 1.8/3194=8, 762/1.8=7...(16) HG3 GLN 50 - HB2 GLN 72 OK 41 97 - 43 - 3204/1.8=6, 1.8/2300=5...(20) HG3 MET 1 - HB2 GLN 72 OK 25 98 - 25 - 3204/1.8=4, 3186/3.0=3...(13) HG3 GLU 99 - HB2 GLN 72 OK 10 81 - 12 - 1.8/3194=2, 3204/1.8=2 HG3 GLU 48 - HB2 GLN 72 lone 8 99 - 8 - 3204/1.8=1 HB2 ASP 11 - HB2 GLN 72 lone 4 96 - 4 - Peak 3196 from cnoeabs.peaks (2.54, 2.16, 28.06 ppm; 3.72 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 72 + HB2 GLN 72 OK 100 100 - 100 - 3.0=100 HG3 GLU 95 - HB2 GLN 72 OK 44 87 - 51 - 3205/1.8=8, 4310=6...(21) HG2 MET 74 - HB2 GLN 72 OK 43 92 - 47 - 3205/1.8=8, 3187/3.0=6...(17) Peak 3199 from cnoeabs.peaks (7.84, 2.16, 28.06 ppm; 3.95 A): 3 out of 4 assignments used, quality = 0.94: * H LYS 73 + HB2 GLN 72 OK 90 100 - 90 - 4.6=62, 7199/1.8=31...(13) H ASN 26 + HB2 GLN 72 OK 30 100 - 30 - 3208/1.8=8, 8609/3.0=7...(7) H LEU 3 + HB2 GLN 72 OK 15 100 - 15 - 3208/1.8=4, 3190/3.0=3...(5) H TYR 41 - HB2 GLN 72 lone 3 65 - 5 - Peak 3200 from cnoeabs.peaks (7.91, 2.23, 28.06 ppm; 3.21 A): 2 out of 3 assignments used, quality = 0.91: * H GLN 72 + HB3 GLN 72 OK 83 100 - 83 - 3.9=54, 3191/1.8=22...(13) H GLU 69 + HB3 GLN 72 OK 45 98 - 46 - 3191/1.8=12, 3218/3.0=8...(11) H ASP 65 - HB3 GLN 72 lone 6 87 - 7 - 3191/1.8=2, 3218/3.0=1...(4) Peak 3201 from cnoeabs.peaks (4.15, 2.23, 28.06 ppm; 3.36 A): 1 out of 7 assignments used, quality = 1.00: * HA GLN 72 + HB3 GLN 72 OK 100 100 - 100 - 3.0=100 HA LYS 73 - HB3 GLN 72 OK 41 70 - 59 - 3.0/7199=18, ~3199=9...(16) HA MET 1 - HB3 GLN 72 OK 26 100 - 26 - 3.0/10839=4, 3192/1.8=3...(13) HA GLU 23 - HB3 GLN 72 OK 23 96 - 24 - 3192/1.8=4, 3.0/10824=3...(8) HA LYS 47 - HB3 GLN 72 OK 23 90 - 25 - 3.0/10839=5, 3.9/10841=5...(7) HA LYS 13 - HB3 GLN 72 OK 18 100 - 18 - 3185=3, 3192/1.8=3...(7) HB2 SER 59 - HB3 GLN 72 lone 7 99 - 7 - Peak 3202 from cnoeabs.peaks (2.16, 2.23, 28.06 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLN 72 + HB3 GLN 72 OK 100 100 - 100 - 1.8=100 HB3 GLU 95 - HB3 GLN 72 OK 19 99 - 19 - 2.9/3205=2, 3220/3.0=2...(10) HB3 GLN 50 - HB3 GLN 72 OK 18 90 - 20 - 2.9/3204=2, ~2284=2...(8) HB3 GLU 16 - HB3 GLN 72 OK 11 100 - 11 - 703/3.0=2, 4.6/6257=2 HB3 GLU 23 - HB3 GLN 72 OK 10 92 - 11 - 3.0/3201=1, 1029/3.0=1 HG2 GLU 75 - HB3 GLN 72 lone 9 94 - 9 - 4.0/9559=3 HG3 GLU 75 - HB3 GLN 72 lone 8 90 - 9 - 4.0/9559=3 HG2 GLU 104 - HB3 GLN 72 lone 1 73 - 1 - Peak 3203 from cnoeabs.peaks (2.23, 2.23, 28.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 72 + HB3 GLN 72 OK 100 100 - 100 Peak 3204 from cnoeabs.peaks (2.42, 2.23, 28.06 ppm; 3.20 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLN 72 + HB3 GLN 72 OK 100 100 - 100 - 3.0=100 HG3 GLU 17 + HB3 GLN 72 OK 48 99 - 49 - 762=7, 3195/1.8=6...(18) HG3 GLN 50 - HB3 GLN 72 OK 41 97 - 42 - 3212=8, 3195/1.8=6...(17) HG3 MET 1 - HB3 GLN 72 OK 29 98 - 30 - 3195/1.8=4, 3.3/10839=4...(14) HG3 GLU 99 - HB3 GLN 72 OK 11 81 - 13 - 3195/1.8=2, ~3194=1...(5) HG3 GLU 48 - HB3 GLN 72 lone 8 99 - 8 - 3195/1.8=1 HB2 ASP 11 - HB3 GLN 72 lone 4 96 - 4 - Peak 3205 from cnoeabs.peaks (2.54, 2.23, 28.06 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 72 + HB3 GLN 72 OK 100 100 - 100 - 3.0=100 HG2 MET 74 - HB3 GLN 72 OK 41 92 - 45 - 3196/1.8=9, 3187/3.0=7...(15) HG3 GLU 95 - HB3 GLN 72 OK 41 87 - 48 - 3196/1.8=9, 3187/3.0=5...(21) Peak 3208 from cnoeabs.peaks (7.84, 2.23, 28.06 ppm; 3.98 A): 3 out of 4 assignments used, quality = 0.94: * H LYS 73 + HB3 GLN 72 OK 90 100 - 90 - 4.6=63, 3199/1.8=25...(12) H ASN 26 + HB3 GLN 72 OK 29 100 - 29 - 3199/1.8=8, 8609/3.0=7...(6) H LEU 3 + HB3 GLN 72 OK 15 100 - 15 - 3199/1.8=4, 3190/3.0=3...(5) H TYR 41 - HB3 GLN 72 lone 3 65 - 5 - Peak 3209 from cnoeabs.peaks (7.91, 2.42, 33.99 ppm; 4.18 A): 2 out of 6 assignments used, quality = 0.98: * H GLN 72 + HG2 GLN 72 OK 93 100 - 93 - 4.8=65, 7173/3.0=30...(14) H GLU 69 + HG2 GLN 72 OK 72 98 - 74 - 3218/1.8=16, 3200/3.0=13...(17) H GLN 72 - HG3 GLN 50 OK 29 78 - 37 - 7174=7, 3.9/3195=6...(13) H ASP 65 - HG2 GLN 72 OK 12 87 - 14 - 3218/1.8=3, 3200/3.0=2...(6) H GLU 69 - HG3 GLN 50 lone 6 74 - 8 - 3191/3195=1, 3218/3222=1 H ASP 65 - HG3 GLN 50 lone 4 62 - 7 - 4.9/10626=2, 4.9/9569=1 Peak 3210 from cnoeabs.peaks (4.15, 2.42, 33.99 ppm; 3.91 A): 1 out of 14 assignments used, quality = 1.00: * HA GLN 72 + HG2 GLN 72 OK 100 100 - 100 - 3.9=100 HA LYS 73 - HG2 GLN 72 OK 43 70 - 62 - ~7199=10, 3.0/7200=9...(16) HA MET 1 - HG2 GLN 72 OK 33 100 - 34 - 6=5, 3219/1.8=4...(12) HA GLN 72 - HG3 GLN 50 OK 31 78 - 40 - 3.0/3195=6, 3.0/3204=6...(14) HA GLU 23 - HG2 GLN 72 OK 23 96 - 24 - 3192/3.0=4, 3219/1.8=4...(10) HA LYS 47 - HG2 GLN 72 OK 18 90 - 21 - ~10839=4, 3201/3.0=3...(8) HA LYS 13 - HG2 GLN 72 OK 15 100 - 15 - 3192/3.0=3, 3201/3.0=3...(6) HA MET 1 - HG3 GLN 50 poor 9 77 - 11 - 6=2, 3.0/20=1...(4) HB2 SER 59 - HG2 GLN 72 lone 6 99 - 6 - 3219/1.8=1, 3201/3.0=1 HA LYS 47 - HG3 GLN 50 lone 5 64 - 8 - 3.6/6794=4, 2132/3.5=1 HA LYS 73 - HG3 GLN 50 lone 4 47 - 8 - 3.0/7200=3 HA LYS 13 - HG3 GLN 50 lone 3 78 - 4 - HA GLU 23 - HG3 GLN 50 lone 2 71 - 3 - HB2 SER 59 - HG3 GLN 50 lone 2 76 - 2 - Peak 3211 from cnoeabs.peaks (2.16, 2.42, 33.99 ppm; 3.25 A): 2 out of 16 assignments used, quality = 1.00: * HB2 GLN 72 + HG2 GLN 72 OK 100 100 - 100 - 3.0=100 HB3 GLN 50 + HG3 GLN 50 OK 64 64 - 100 - 2.9=100 HB3 GLN 50 - HG2 GLN 72 OK 42 90 - 47 - 1.8/2286=7, 2294=6...(26) HB2 GLN 72 - HG3 GLN 50 OK 36 78 - 47 - 3195=9, 1.8/3204=6...(21) HB3 GLU 95 - HG2 GLN 72 OK 34 99 - 34 - 3220/1.8=5, 3202/3.0=4...(19) HB3 GLU 16 - HG2 GLN 72 OK 16 100 - 16 - 703/3.9=2, 4.6/6258=2...(5) HG2 GLU 75 - HG2 GLN 72 OK 15 94 - 16 - 4.0/9561=3, 3220/1.8=2...(7) HG3 GLU 75 - HG2 GLN 72 OK 14 90 - 16 - 4.0/9561=3, 3220/1.8=2...(7) HB3 GLU 23 - HG2 GLN 72 OK 14 92 - 15 - 3220/1.8=2, 3202/3.0=2...(5) HB3 GLU 16 - HG3 GLN 50 OK 11 78 - 14 - 2300/1.8=2, 2284/2.9=2...(5) HG2 GLU 75 - HG3 GLN 50 poor 7 69 - 11 - 2300/1.8=2, 2276/3.7=1...(4) HG3 GLU 75 - HG3 GLN 50 poor 7 64 - 11 - 2300/1.8=2, 2276/3.7=1...(4) HB3 GLU 95 - HG3 GLN 50 lone 3 75 - 4 - HG2 GLU 104 - HG2 GLN 72 lone 1 73 - 2 - HB3 GLU 23 - HG3 GLN 50 lone 1 66 - 2 - HG2 GLU 104 - HG3 GLN 50 lone 0 50 - 0 - Peak 3212 from cnoeabs.peaks (2.23, 2.42, 33.99 ppm; 3.26 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLN 72 + HG2 GLN 72 OK 100 100 - 100 - 3.0=100 HG2 GLU 17 - HG2 GLN 72 OK 44 94 - 47 - 3221/1.8=9, 756=6...(18) HB3 GLN 72 - HG3 GLN 50 OK 34 78 - 44 - 3204=8, 1.8/3195=6...(17) HG2 GLU 99 - HG2 GLN 72 OK 12 81 - 14 - 3221/1.8=3, 3194/3.0=2...(4) HG2 GLU 17 - HG3 GLN 50 OK 11 69 - 16 - 756=2, ~2302=2...(7) HG2 GLU 99 - HG3 GLN 50 lone 5 56 - 8 - Peak 3213 from cnoeabs.peaks (2.42, 2.42, 33.99 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 72 + HG2 GLN 72 OK 100 100 - 100 HG3 GLN 50 + HG3 GLN 50 OK 72 72 - 100 Peak 3214 from cnoeabs.peaks (2.54, 2.42, 33.99 ppm; 2.40 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLN 72 + HG2 GLN 72 OK 100 100 - 100 - 1.8=100 HG3 GLN 72 - HG3 GLN 50 OK 20 78 - 26 - 3222=7, 3.0/3195=2...(13) HG3 GLU 95 - HG2 GLN 72 OK 15 87 - 17 - 3196/3.0=3, 3205/3.0=2...(10) HG2 MET 74 - HG2 GLN 72 OK 14 92 - 16 - 3196/3.0=2, 3205/3.0=2...(9) HG2 MET 74 - HG3 GLN 50 lone 1 66 - 2 - HG3 GLU 95 - HG3 GLN 50 lone 1 62 - 2 - Peak 3215 from cnoeabs.peaks (6.85, 2.42, 33.99 ppm; 5.57 A): 2 out of 10 assignments used, quality = 1.00: * HE21 GLN 72 + HG2 GLN 72 OK 100 100 - 100 - 3.5=100 HE21 GLN 72 + HG3 GLN 50 OK 50 78 - 64 - 1.7/3216=11, 7184=10...(17) HD21 ASN 60 - HG2 GLN 72 OK 24 57 - 41 - ~9432=19, 9427/3.0=10...(6) HD1 TRP 92 - HG2 GLN 72 poor 7 65 - 10 - 5.1/3216=3, 3224/1.8=2 HE1 TYR 41 - HG2 GLN 72 lone 5 100 - 5 - 3224/1.8=2 HE2 TYR 41 - HG2 GLN 72 lone 5 100 - 5 - 3224/1.8=2 HE1 TYR 41 - HG3 GLN 50 lone 3 77 - 4 - HE2 TYR 41 - HG3 GLN 50 lone 3 78 - 4 - HD21 ASN 60 - HG3 GLN 50 lone 1 38 - 4 - HD1 TRP 92 - HG3 GLN 50 lone 1 44 - 2 - Peak 3216 from cnoeabs.peaks (7.44, 2.42, 33.99 ppm; 5.18 A): 2 out of 8 assignments used, quality = 1.00: * HE22 GLN 72 + HG2 GLN 72 OK 100 100 - 100 - 3.5=100 HE22 GLN 72 + HG3 GLN 50 OK 47 78 - 60 - 7192=9, 1.7/3215=9...(17) HE3 TRP 92 - HG2 GLN 72 OK 25 92 - 27 - 9982/3.0=7, 3225/1.8=7...(7) HE ARG 19 - HG2 GLN 72 OK 10 90 - 11 - 3225/1.8=3, 6.5/12325=2...(4) H ALA 89 - HG2 GLN 72 poor 9 73 - 13 - 3225/1.8=2, 9934/3.5=1...(6) HE3 TRP 92 - HG3 GLN 50 lone 3 66 - 5 - 9982/2.9=1 HE ARG 19 - HG3 GLN 50 lone 2 64 - 3 - H ALA 89 - HG3 GLN 50 lone 1 50 - 3 - Peak 3217 from cnoeabs.peaks (7.84, 2.42, 33.99 ppm; 5.91 A): 2 out of 8 assignments used, quality = 0.96: * H LYS 73 + HG2 GLN 72 OK 92 100 - 92 - 7199/3.0=37, 7196/4.8=33...(16) H ASN 26 + HG2 GLN 72 OK 48 100 - 48 - 3226/1.8=11, 3199/3.0=10...(6) H LEU 3 - HG2 GLN 72 OK 37 100 - 37 - 3226/1.8=7, 3208/3.0=5...(10) H LYS 73 - HG3 GLN 50 OK 29 78 - 37 - 4.6/3195=8, 4.6/3204=7...(8) H LEU 3 - HG3 GLN 50 OK 16 77 - 20 - 5.0/8056=9, 4.6/6007=2...(5) H ASN 26 - HG3 GLN 50 OK 12 78 - 15 - 3.6/8625=5 H TYR 41 - HG2 GLN 72 poor 7 65 - 10 - 3226/1.8=2, 7178/4.8=1...(4) H TYR 41 - HG3 GLN 50 lone 4 44 - 9 - 6644/3.5=4 Peak 3218 from cnoeabs.peaks (7.91, 2.54, 33.99 ppm; 4.00 A): 2 out of 3 assignments used, quality = 0.97: * H GLN 72 + HG3 GLN 72 OK 91 100 - 91 - 4.8=57, 7173/3.0=28...(15) H GLU 69 + HG3 GLN 72 OK 69 98 - 71 - 3200/3.0=12, 3191/3.0=12...(16) H ASP 65 - HG3 GLN 72 OK 11 87 - 13 - 3209/1.8=2, 4.9/9566=2...(6) Peak 3219 from cnoeabs.peaks (4.15, 2.54, 33.99 ppm; 4.05 A): 2 out of 7 assignments used, quality = 1.00: * HA GLN 72 + HG3 GLN 72 OK 100 100 - 100 - 3.9=100 HA LYS 73 + HG3 GLN 72 OK 46 70 - 67 - 3.0/7201=14, ~7199=11...(16) HA MET 1 - HG3 GLN 72 OK 27 100 - 27 - 6/1.8=5, 3201/3.0=4...(9) HA GLU 23 - HG3 GLN 72 OK 24 96 - 25 - 3192/3.0=4, 3201/3.0=3...(9) HA LYS 13 - HG3 GLN 72 OK 17 100 - 17 - 3192/3.0=3, 3201/3.0=3...(6) HA LYS 47 - HG3 GLN 72 OK 16 90 - 18 - ~10839=4, 3201/3.0=3...(8) HB2 SER 59 - HG3 GLN 72 lone 7 99 - 7 - 4.6/9411=1, 3201/3.0=1 Peak 3220 from cnoeabs.peaks (2.16, 2.54, 33.99 ppm; 3.70 A): 3 out of 8 assignments used, quality = 1.00: * HB2 GLN 72 + HG3 GLN 72 OK 100 100 - 100 - 3.0=100 HB3 GLU 95 + HG3 GLN 72 OK 46 99 - 47 - 4298=5, 1.8/4290=5...(22) HB3 GLN 50 + HG3 GLN 72 OK 45 90 - 51 - 2.9/3222=6, 2294/1.8=6...(25) HG2 GLU 75 - HG3 GLN 72 OK 23 94 - 24 - 4.0/9562=7, 5.0/7237=3...(11) HG3 GLU 75 - HG3 GLN 72 OK 22 90 - 24 - 4.0/9562=7, 5.0/7237=3...(11) HB3 GLU 23 - HG3 GLN 72 OK 19 92 - 21 - 3.0/3219=3, 3202/3.0=2...(10) HB3 GLU 16 - HG3 GLN 72 OK 17 100 - 17 - 703/3.9=3, 3202/3.0=2...(5) HG2 GLU 104 - HG3 GLN 72 lone 2 73 - 3 - Peak 3221 from cnoeabs.peaks (2.23, 2.54, 33.99 ppm; 3.43 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 72 + HG3 GLN 72 OK 100 100 - 100 - 3.0=100 HG2 GLU 17 - HG3 GLN 72 OK 42 94 - 45 - 3212/1.8=8, 3194/3.0=7...(16) HG2 GLU 99 - HG3 GLN 72 OK 12 81 - 14 - 3212/1.8=2, 3194/3.0=2...(5) Peak 3222 from cnoeabs.peaks (2.42, 2.54, 33.99 ppm; 2.40 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLN 72 + HG3 GLN 72 OK 100 100 - 100 - 1.8=100 HG3 GLN 50 - HG3 GLN 72 OK 25 97 - 26 - 3214=7, 3195/3.0=2...(13) HG3 GLU 17 - HG3 GLN 72 OK 22 99 - 23 - 1.8/3221=4, 762/3.0=3...(11) HG3 MET 1 - HG3 GLN 72 OK 11 98 - 11 - 3204/3.0=2, 3195/3.0=1...(4) HG3 GLU 99 - HG3 GLN 72 lone 5 81 - 6 - 1.8/3221=1 HG3 GLU 48 - HG3 GLN 72 lone 3 99 - 3 - HB2 ASP 11 - HG3 GLN 72 lone 2 96 - 2 - Peak 3223 from cnoeabs.peaks (2.54, 2.54, 33.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 72 + HG3 GLN 72 OK 100 100 - 100 Peak 3224 from cnoeabs.peaks (6.85, 2.54, 33.99 ppm; 5.69 A): 1 out of 5 assignments used, quality = 1.00: * HE21 GLN 72 + HG3 GLN 72 OK 100 100 - 100 - 3.5=100 HD21 ASN 60 - HG3 GLN 72 OK 24 57 - 41 - ~9432=20, 9427/3.0=10...(7) HD1 TRP 92 - HG3 GLN 72 poor 7 65 - 11 - 5.1/3225=5, 14531/3.5=2...(4) HE2 TYR 41 - HG3 GLN 72 lone 5 100 - 5 - 3215/1.8=1 HE1 TYR 41 - HG3 GLN 72 lone 5 100 - 5 - 3215/1.8=1 Peak 3225 from cnoeabs.peaks (7.44, 2.54, 33.99 ppm; 5.13 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 72 + HG3 GLN 72 OK 100 100 - 100 - 3.5=100 HE3 TRP 92 - HG3 GLN 72 OK 23 92 - 25 - 9982/3.0=7, 3216/1.8=5...(8) HE ARG 19 - HG3 GLN 72 OK 11 90 - 13 - 4.8/9563=3, 6.5/12324=3...(5) H ALA 89 - HG3 GLN 72 poor 8 73 - 11 - 3216/1.8=2, 9934/3.5=1...(6) Peak 3226 from cnoeabs.peaks (7.84, 2.54, 33.99 ppm; 5.52 A): 2 out of 4 assignments used, quality = 0.95: * H LYS 73 + HG3 GLN 72 OK 92 100 - 92 - 7199/3.0=36, 7196/4.8=30...(16) H ASN 26 + HG3 GLN 72 OK 40 100 - 40 - 3199/3.0=10, 3208/3.0=10...(5) H LEU 3 - HG3 GLN 72 OK 25 100 - 25 - 3217/1.8=6, 3208/3.0=5...(5) H TYR 41 - HG3 GLN 72 poor 7 65 - 11 - 7178/4.8=1, 3208/3.0=1...(4) Peak 3227 from cnoeabs.peaks (7.84, 4.17, 57.87 ppm; 3.27 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 73 + HA LYS 73 OK 100 100 - 100 - 3.0=100 H ASN 26 - HA LYS 73 OK 15 100 - 15 - 7215/3.6=3, 3271/4.1=2...(6) H LEU 3 - HA LYS 73 OK 13 100 - 13 - 5.0/12305=2, 7215/3.6=2...(6) H TYR 41 - HA LYS 73 lone 3 65 - 5 - 7215/3.6=2 Peak 3228 from cnoeabs.peaks (4.17, 4.17, 57.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 73 + HA LYS 73 OK 100 100 - 100 Peak 3229 from cnoeabs.peaks (1.96, 4.17, 57.87 ppm; 2.76 A): 2 out of 13 assignments used, quality = 0.99: * HB2 LYS 73 + HA LYS 73 OK 90 100 - 90 - 3.0=80, 2.9/3231=9...(20) HB3 LYS 73 + HA LYS 73 OK 90 100 - 90 - 3.0=80, 2.9/3231=9...(20) HB3 MET 74 - HA LYS 73 OK 24 99 - 25 - 3.0/10859=5, 7218/3.6=4...(10) HB3 LYS 24 - HA LYS 73 OK 23 99 - 24 - 2.9/3232=3, 3239=2...(6) HB2 LYS 24 - HA LYS 73 OK 23 99 - 24 - 2.9/3232=3, 3239=2...(6) HB2 MET 1 - HA LYS 73 OK 11 73 - 14 - 1.8/16=2, 9=1 HB2 LYS 47 - HA LYS 73 OK 10 90 - 11 - 3.0/3231=2 QE MET 1 - HA LYS 73 lone 5 61 - 8 - HB2 GLU 17 - HA LYS 73 lone 4 73 - 6 - ~7199=1 HB3 ARG 46 - HA LYS 73 lone 3 100 - 3 - HB2 ARG 46 - HA LYS 73 lone 2 70 - 2 - HB VAL 32 - HA LYS 73 lone 1 70 - 2 - HG3 GLU 88 - HA LYS 73 lone 1 81 - 1 - Peak 3230 from cnoeabs.peaks (1.96, 4.17, 57.87 ppm; 2.76 A): 2 out of 12 assignments used, quality = 0.99: * HB3 LYS 73 + HA LYS 73 OK 90 100 - 90 - 3.0=80, 2.9/3231=9...(20) HB2 LYS 73 + HA LYS 73 OK 90 100 - 90 - 3.0=80, 2.9/3231=9...(20) HB3 MET 74 - HA LYS 73 OK 24 98 - 25 - 3.0/10859=5, 7218/3.6=4...(10) HB2 LYS 24 - HA LYS 73 OK 23 98 - 24 - 2.9/3232=3, 3239=2...(6) HB3 LYS 24 - HA LYS 73 OK 23 98 - 24 - 2.9/3232=3, 3239=2...(6) HB2 MET 1 - HA LYS 73 OK 11 77 - 15 - 1.8/16=2, 9=1 HB2 LYS 47 - HA LYS 73 poor 10 87 - 11 - 3.0/3231=2 HB2 GLU 17 - HA LYS 73 lone 4 77 - 6 - ~7199=1 HB3 ARG 46 - HA LYS 73 lone 3 100 - 3 - HB2 ARG 46 - HA LYS 73 lone 2 65 - 2 - HB VAL 32 - HA LYS 73 lone 1 73 - 2 - HG3 GLU 88 - HA LYS 73 lone 1 84 - 1 - Peak 3231 from cnoeabs.peaks (1.49, 4.17, 57.87 ppm; 3.28 A): 4 out of 11 assignments used, quality = 0.94: * HG2 LYS 73 + HA LYS 73 OK 87 100 - 87 - 4.1=52, 1.8/3232=15...(34) HG2 LYS 47 + HA LYS 73 OK 23 100 - 23 - 3261=4, 3260/3.0=3...(10) HG3 LYS 24 + HA LYS 73 OK 21 73 - 29 - 1.8/3232=5, 2.9/3230=2...(13) HG3 LYS 13 + HA LYS 73 OK 16 99 - 16 - 3261=3, 7207/3.0=2...(5) HG2 LYS 66 - HA LYS 73 lone 9 100 - 9 - 2.9/3232=1, 7207/3.0=1 HG3 LYS 66 - HA LYS 73 lone 9 100 - 9 - 2.9/3232=1, 7207/3.0=1 HB2 ARG 91 - HA LYS 73 lone 5 98 - 5 - HB3 LEU 64 - HA LYS 73 lone 4 100 - 4 - 7207/3.0=1 HG LEU 64 - HA LYS 73 lone 3 87 - 4 - 2.1/10850=1 HG LEU 57 - HA LYS 73 lone 3 94 - 3 - HG3 LYS 33 - HA LYS 73 lone 2 87 - 2 - Peak 3232 from cnoeabs.peaks (1.60, 4.17, 57.87 ppm; 3.63 A): 2 out of 13 assignments used, quality = 0.96: * HG3 LYS 73 + HA LYS 73 OK 94 100 - 94 - 4.1=70, 1.8/3231=19...(30) HG2 LYS 24 + HA LYS 73 OK 33 87 - 39 - 1.8/3231=5, 7208/3.0=4...(17) HG3 LYS 12 - HA LYS 73 OK 15 99 - 15 - 3272=3, 3271/3.0=3...(6) HD2 LYS 66 - HA LYS 73 OK 12 100 - 12 - 7208/3.0=2, 2.9/3231=2...(5) HG LEU 27 - HA LYS 73 OK 11 100 - 11 - 2.1/10850=3, 7208/3.0=2, ~9576=1 HB2 ARG 79 - HA LYS 73 lone 8 100 - 8 - 7208/3.0=1 HB2 ARG 30 - HA LYS 73 lone 5 99 - 5 - 10509/3.0=1 HD3 LYS 94 - HA LYS 73 lone 4 100 - 4 - 7208/3.0=1 HG3 LYS 90 - HA LYS 73 lone 4 81 - 5 - HB3 LEU 29 - HA LYS 73 lone 2 100 - 2 - HG2 ARG 19 - HA LYS 73 lone 2 84 - 3 - HB2 LEU 103 - HA LYS 73 lone 1 84 - 2 - HG LEU 103 - HA LYS 73 lone 1 73 - 1 - Peak 3233 from cnoeabs.peaks (1.67, 4.17, 57.87 ppm; 3.68 A): 2 out of 16 assignments used, quality = 0.99: * HD2 LYS 73 + HA LYS 73 OK 90 100 - 90 - 5.1=37, 3.0/3231=15...(40) HD3 LYS 73 + HA LYS 73 OK 90 100 - 90 - 5.1=37, 3.0/3231=15...(40) HD2 LYS 47 - HA LYS 73 OK 20 84 - 24 - 3.0/3231=4, ~3260=2...(8) HD3 LYS 47 - HA LYS 73 OK 19 81 - 24 - 3.0/3231=4, ~3260=2...(8) HB3 LYS 40 - HA LYS 73 poor 8 73 - 11 - ~9576=1, ~1793=1...(4) HB3 ARG 79 - HA LYS 73 lone 5 84 - 6 - 1.8/3232=2 HD2 LYS 20 - HA LYS 73 lone 5 92 - 5 - HD3 LYS 20 - HA LYS 73 lone 5 97 - 4 - HG3 LYS 20 - HA LYS 73 lone 4 97 - 4 - HB3 ARG 91 - HA LYS 73 lone 4 77 - 5 - 1.8/3231=1 HB ILE 52 - HA LYS 73 lone 4 100 - 4 - HD2 LYS 39 - HA LYS 73 lone 3 84 - 4 - 7222/3.6=1 HD2 LYS 68 - HA LYS 73 lone 3 77 - 4 - HD3 LYS 68 - HA LYS 73 lone 3 73 - 4 - HB3 LEU 6 - HA LYS 73 lone 1 61 - 1 - HB3 LYS 53 - HA LYS 73 lone 1 65 - 1 - Peak 3234 from cnoeabs.peaks (1.67, 4.17, 57.87 ppm; 3.56 A): 2 out of 16 assignments used, quality = 0.99: * HD3 LYS 73 + HA LYS 73 OK 88 100 - 88 - 5.1=33, 3.0/3231=14...(40) HD2 LYS 73 + HA LYS 73 OK 88 100 - 88 - 5.1=33, 3.0/3231=14...(40) HD2 LYS 47 - HA LYS 73 OK 17 77 - 22 - 3.0/3231=4, ~3260=2...(7) HD3 LYS 47 - HA LYS 73 OK 16 73 - 22 - 3.0/3231=4, ~3260=2...(5) HB3 LYS 40 - HA LYS 73 lone 7 65 - 10 - ~9576=1, ~1793=1, ~9579=1 HB2 LYS 40 - HA LYS 73 poor 6 61 - 10 - ~9576=1, ~1805=1, ~9579=1 HB3 ARG 79 - HA LYS 73 lone 6 90 - 6 - 1.8/3232=1 HD3 LYS 20 - HA LYS 73 lone 4 94 - 4 - HD2 LYS 20 - HA LYS 73 lone 4 87 - 4 - HG3 LYS 20 - HA LYS 73 lone 4 94 - 4 - HB ILE 52 - HA LYS 73 lone 4 99 - 4 - HB3 ARG 91 - HA LYS 73 lone 4 70 - 5 - 1.8/3231=1 HD2 LYS 39 - HA LYS 73 lone 3 90 - 4 - 7222/3.6=1 HD2 LYS 68 - HA LYS 73 lone 3 84 - 4 - HD3 LYS 68 - HA LYS 73 lone 3 81 - 4 - HB3 LEU 6 - HA LYS 73 lone 1 70 - 1 - Peak 3235 from cnoeabs.peaks (2.95, 4.17, 57.87 ppm; 5.16 A): 2 out of 11 assignments used, quality = 1.00: * HE2 LYS 73 + HA LYS 73 OK 95 100 - 95 - 6.7=46, 4.0/3231=20...(35) HE3 LYS 73 + HA LYS 73 OK 94 99 - 95 - 6.7=46, 4.0/3231=20...(35) HE2 LYS 24 - HA LYS 73 OK 37 90 - 41 - 3.7/9954=9, 3.7/3231=5...(15) HE3 LYS 24 - HA LYS 73 OK 37 90 - 41 - 3.7/9954=9, 3.7/3231=5...(15) HE3 LYS 13 - HA LYS 73 OK 35 97 - 36 - 3.8/3231=4, 3305=3...(15) HE2 LYS 13 - HA LYS 73 OK 34 94 - 36 - 3.8/3231=4, 1.8/3305=3...(13) HB2 ASN 51 - HA LYS 73 OK 14 99 - 14 - 9131=4, 1.8/9134=3, 7212/3.0=2 HG2 MET 21 - HA LYS 73 poor 9 90 - 10 - 978/4.8=2, 12042/5.1=2...(4) HE3 LYS 12 - HA LYS 73 poor 9 81 - 11 - 4.0/3232=3 HE3 LYS 90 - HA LYS 73 lone 5 77 - 7 - 3.8/9954=2 HB3 PHE 45 - HA LYS 73 lone 2 73 - 2 - Peak 3236 from cnoeabs.peaks (2.95, 4.17, 57.87 ppm; 5.16 A): 2 out of 11 assignments used, quality = 1.00: * HE3 LYS 73 + HA LYS 73 OK 95 100 - 95 - 6.7=46, 4.0/3231=20...(35) HE2 LYS 73 + HA LYS 73 OK 94 99 - 95 - 6.7=46, 4.0/3231=20...(35) HE3 LYS 13 - HA LYS 73 OK 31 87 - 36 - 3.8/3231=4, 3305=3...(15) HE2 LYS 24 - HA LYS 73 OK 30 73 - 41 - 3.7/9954=9, 3.7/3231=5...(15) HE3 LYS 24 - HA LYS 73 OK 30 73 - 41 - 3.7/9954=9, 3.7/3231=5...(15) HE2 LYS 13 - HA LYS 73 OK 29 81 - 36 - 3.8/3231=4, 1.8/3305=3...(13) HB2 ASN 51 - HA LYS 73 OK 14 100 - 14 - 9131=4, 1.8/9134=3, 7212/3.0=2 HG2 MET 21 - HA LYS 73 OK 11 98 - 11 - 978/4.8=2, 12042/5.1=2...(4) HE3 LYS 90 - HA LYS 73 lone 7 92 - 7 - 3.8/9954=2 HE3 LYS 12 - HA LYS 73 poor 7 61 - 11 - 4.0/3232=3 HB2 ASN 10 - HA LYS 73 lone 1 65 - 2 - Peak 3237 from cnoeabs.peaks (7.75, 4.17, 57.87 ppm; 3.80 A): 1 out of 4 assignments used, quality = 1.00: * H MET 74 + HA LYS 73 OK 100 100 - 100 - 3.6=100 H VAL 78 - HA LYS 73 OK 21 96 - 22 - 7213/3.0=6, 4.0/10850=3...(10) H GLU 37 - HA LYS 73 OK 20 99 - 20 - 7213/3.0=5, 3326/4.8=4...(8) H ASN 60 - HA LYS 73 poor 10 73 - 13 - 7213/3.0=2, 4.6/2685=1...(5) Peak 3238 from cnoeabs.peaks (7.84, 1.96, 32.28 ppm; 3.08 A): 2 out of 16 assignments used, quality = 0.95: * H LYS 73 + HB2 LYS 73 OK 77 100 - 77 - 4.1=44, 7206/1.8=11...(18) H LYS 73 + HB3 LYS 73 OK 77 100 - 77 - 4.1=44, 7206/1.8=11...(18) H LYS 73 - HB2 LYS 24 OK 23 80 - 29 - 7206=5, 7206/1.8=4...(11) H LYS 73 - HB3 LYS 24 OK 23 80 - 29 - 7206=5, 7206/1.8=4...(11) H ASN 26 - HB3 LYS 24 OK 22 80 - 28 - 6411/4.4=11, 8606/4.0=8...(7) H ASN 26 - HB2 LYS 24 OK 22 80 - 28 - 6411/4.4=11, 8606/4.0=8...(7) H ASN 26 - HB2 LYS 73 OK 16 100 - 16 - 3271/2.9=3, 3227/3.0=3...(7) H ASN 26 - HB3 LYS 73 OK 16 100 - 16 - 3271/2.9=3, 3227/3.0=3...(7) H LEU 3 - HB2 LYS 73 lone 9 100 - 9 - 3227/3.0=2, 3271/2.9=1...(4) H LEU 3 - HB3 LYS 73 lone 9 100 - 9 - 3227/3.0=2, 3271/2.9=1...(4) H LEU 3 - HB2 LYS 24 lone 5 79 - 6 - 6409/4.4=2 H LEU 3 - HB3 LYS 24 lone 5 79 - 6 - 6409/4.4=2 H TYR 41 - HB2 LYS 73 lone 3 65 - 4 - 7215/4.6=1 H TYR 41 - HB3 LYS 73 lone 3 65 - 4 - 7215/4.6=1 H TYR 41 - HB2 LYS 24 lone 1 46 - 1 - H TYR 41 - HB3 LYS 24 lone 1 46 - 1 - Peak 3239 from cnoeabs.peaks (4.17, 1.96, 32.28 ppm; 3.03 A): 2 out of 28 assignments used, quality = 1.00: * HA LYS 73 + HB2 LYS 73 OK 100 100 - 100 - 3.0=100 HA LYS 73 + HB3 LYS 73 OK 100 100 - 100 - 3.0=100 HA LYS 73 - HB2 LYS 24 OK 24 80 - 30 - 3230=4, 3232/2.9=3...(9) HA LYS 73 - HB3 LYS 24 OK 24 80 - 30 - 3230=4, 3232/2.9=3...(9) HA GLN 72 - HB2 LYS 73 OK 18 70 - 27 - 3.6/7206=6, 10848/4.6=2...(14) HA GLN 72 - HB3 LYS 73 OK 18 69 - 27 - 3.6/7206=6, 10848/4.6=2...(14) HA MET 1 - HB3 LYS 73 OK 13 80 - 17 - 7/1.8=2, 3272/2.9=1...(4) HA MET 1 - HB2 LYS 73 OK 12 81 - 15 - 3/1.8=1, 3272/2.9=1...(4) HB2 SER 59 - HB2 LYS 73 OK 11 84 - 13 - 1.8/9582=3, ~9582=2, 3272/2.9=1 HB2 SER 59 - HB3 LYS 73 OK 11 83 - 13 - 1.8/9582=3, ~9582=2, 3272/2.9=1 HA LYS 13 - HB2 LYS 73 poor 8 70 - 12 - 7216/4.6=1, 3272/2.9=1 HA LYS 13 - HB3 LYS 73 poor 8 69 - 12 - 7216/4.6=1, 3272/2.9=1 HA LYS 13 - HB2 LYS 24 lone 4 49 - 9 - HA LYS 13 - HB3 LYS 24 lone 4 49 - 9 - HA MET 1 - HB2 LYS 24 lone 4 58 - 7 - 7/1.8=1 HA MET 1 - HB3 LYS 24 lone 4 58 - 7 - 7/1.8=1 HA GLN 72 - HB2 LYS 24 lone 2 49 - 5 - 3.6/7206=2 HA GLN 72 - HB3 LYS 24 lone 2 49 - 5 - 3.6/7206=2 HB3 SER 85 - HB2 LYS 24 lone 2 42 - 5 - 4.0/9860=1, 9954/2.9=1 HB3 SER 85 - HB3 LYS 24 lone 2 42 - 5 - 4.0/9860=1, 9954/2.9=1 HB2 SER 59 - HB3 LYS 24 lone 1 61 - 2 - HB2 SER 59 - HB2 LYS 24 lone 1 61 - 2 - HB3 SER 85 - HB2 LYS 73 lone 1 61 - 2 - HB3 SER 85 - HB3 LYS 73 lone 1 61 - 2 - HA GLU 98 - HB2 LYS 73 lone 1 73 - 1 - HA GLU 98 - HB3 LYS 73 lone 1 73 - 1 - HA GLU 98 - HB2 LYS 24 lone 0 52 - 0 - HA GLU 98 - HB3 LYS 24 lone 0 52 - 0 - Peak 3240 from cnoeabs.peaks (1.96, 1.96, 32.28 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 LYS 73 + HB2 LYS 73 OK 100 100 - 100 HB3 LYS 73 + HB3 LYS 73 OK 100 100 - 100 HB2 LYS 24 + HB2 LYS 24 OK 77 77 - 100 HB3 LYS 24 + HB3 LYS 24 OK 77 77 - 100 Peak 3241 from cnoeabs.peaks (1.96, 1.96, 32.28 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 LYS 73 + HB2 LYS 73 OK 100 100 - 100 HB3 LYS 73 + HB3 LYS 73 OK 100 100 - 100 HB2 LYS 24 + HB2 LYS 24 OK 76 76 - 100 HB3 LYS 24 + HB3 LYS 24 OK 76 76 - 100 Reference assignment not found: HB3 LYS 73 - HB2 LYS 73 Peak 3242 from cnoeabs.peaks (1.49, 1.96, 32.28 ppm; 2.96 A): 4 out of 44 assignments used, quality = 1.00: * HG2 LYS 73 + HB2 LYS 73 OK 100 100 - 100 - 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 100 100 - 100 - 2.9=100 HG3 LYS 24 + HB2 LYS 24 OK 52 52 - 100 - 2.9=100 HG3 LYS 24 + HB3 LYS 24 OK 52 52 - 100 - 2.9=100 HG2 LYS 47 - HB2 LYS 73 OK 30 100 - 30 - 3231/3.0=3, 1.8/2170=2...(12) HG2 LYS 47 - HB3 LYS 73 OK 30 100 - 30 - 3231/3.0=3, 3275/2.9=2...(12) HG2 LYS 73 - HB2 LYS 24 OK 25 80 - 31 - 1.8/3274=2, 3263=2...(12) HG2 LYS 73 - HB3 LYS 24 OK 25 80 - 31 - 1.8/3274=2, 3263=2...(12) HG3 LYS 24 - HB2 LYS 73 OK 24 73 - 33 - ~9954=3, 1097=2...(11) HG3 LYS 24 - HB3 LYS 73 OK 24 73 - 33 - ~9954=3, 1098=2...(11) HG2 LYS 47 - HB2 LYS 24 OK 24 80 - 30 - 1.8/2170=3, ~2170=2...(8) HG2 LYS 47 - HB3 LYS 24 OK 24 80 - 30 - 1.8/2170=3, ~2170=2...(8) HG3 LYS 13 - HB2 LYS 73 OK 18 99 - 18 - 3231/3.0=2, 3275/2.9=1...(5) HG3 LYS 13 - HB3 LYS 73 OK 18 99 - 18 - 3231/3.0=2, 3275/2.9=1...(5) HG3 LYS 13 - HB2 LYS 24 OK 14 77 - 18 - 3263=1 HG3 LYS 13 - HB3 LYS 24 OK 14 77 - 18 - 3263=1 HG3 LYS 66 - HB3 LYS 73 OK 13 100 - 13 - 3275/2.9=1, 3231/3.0=1 HG3 LYS 66 - HB2 LYS 73 OK 13 100 - 13 - 3275/2.9=1, 3231/3.0=1 HG2 LYS 66 - HB3 LYS 73 OK 13 100 - 13 - 3275/2.9=1, 3231/3.0=1 HG2 LYS 66 - HB2 LYS 73 OK 13 100 - 13 - 3275/2.9=1, 3231/3.0=1 HB2 ARG 91 - HB2 LYS 73 lone 8 98 - 8 - HB2 ARG 91 - HB3 LYS 73 lone 8 98 - 8 - HG3 LYS 66 - HB3 LYS 24 lone 7 80 - 9 - HG3 LYS 66 - HB2 LYS 24 lone 7 80 - 9 - HG2 LYS 66 - HB3 LYS 24 lone 7 80 - 9 - HG2 LYS 66 - HB2 LYS 24 lone 7 80 - 9 - HG3 LYS 33 - HB3 LYS 24 lone 5 63 - 8 - HG3 LYS 33 - HB2 LYS 24 lone 5 63 - 8 - HB3 LEU 64 - HB2 LYS 73 lone 4 100 - 4 - HB3 LEU 64 - HB3 LYS 73 lone 4 100 - 4 - HG LEU 57 - HB2 LYS 73 lone 4 94 - 4 - HG LEU 57 - HB3 LYS 73 lone 4 94 - 4 - HB3 LEU 64 - HB3 LYS 24 lone 4 80 - 5 - 2818/4.4=3 HB3 LEU 64 - HB2 LYS 24 lone 4 80 - 5 - 2818/4.4=3 HG LEU 64 - HB2 LYS 73 lone 3 87 - 4 - HG LEU 64 - HB3 LYS 73 lone 3 86 - 4 - HB2 ARG 91 - HB3 LYS 24 lone 3 76 - 4 - HB2 ARG 91 - HB2 LYS 24 lone 3 76 - 4 - HG LEU 64 - HB2 LYS 24 lone 2 63 - 3 - 2826/4.4=2 HG LEU 64 - HB3 LYS 24 lone 2 63 - 3 - 2826/4.4=2 HG3 LYS 33 - HB2 LYS 73 lone 2 87 - 2 - HG3 LYS 33 - HB3 LYS 73 lone 2 86 - 2 - HG LEU 57 - HB3 LYS 24 lone 2 71 - 2 - HG LEU 57 - HB2 LYS 24 lone 2 71 - 2 - Peak 3243 from cnoeabs.peaks (1.60, 1.96, 32.28 ppm; 2.90 A): 4 out of 52 assignments used, quality = 1.00: * HG3 LYS 73 + HB2 LYS 73 OK 99 100 - 99 - 2.9=97, 3232/3.0=9...(39) HG3 LYS 73 + HB3 LYS 73 OK 99 100 - 99 - 2.9=97, 3232/3.0=9...(39) HG2 LYS 24 + HB3 LYS 24 OK 62 63 - 98 - 2.9=96, 1.8/1097=10...(27) HG2 LYS 24 + HB2 LYS 24 OK 62 63 - 98 - 2.9=96, 1.8/1097=10...(27) HG2 LYS 24 - HB2 LYS 73 OK 28 87 - 33 - 3232/3.0=3, 1.8/1098=3...(13) HG2 LYS 24 - HB3 LYS 73 OK 28 86 - 33 - 3232/3.0=3, 1.8/1098=3...(13) HG3 LYS 73 - HB3 LYS 24 OK 25 80 - 31 - 3274=4, 3274/1.8=2...(8) HG3 LYS 73 - HB2 LYS 24 OK 25 80 - 31 - 3274=4, 3274/1.8=2...(8) HG3 LYS 12 - HB2 LYS 24 OK 15 78 - 20 - 3273=2, 1099/2.9=2...(5) HG3 LYS 12 - HB3 LYS 24 OK 15 78 - 20 - 3273=2, 1099/2.9=2...(5) HG3 LYS 12 - HB2 LYS 73 OK 14 99 - 14 - 3274=2, 3232/3.0=1...(5) HG3 LYS 12 - HB3 LYS 73 OK 14 99 - 14 - 3274=2, 3232/3.0=1...(5) HD2 LYS 66 - HB3 LYS 73 OK 11 100 - 11 - 2935/2.9=1, 3232/3.0=1 HD2 LYS 66 - HB2 LYS 73 OK 11 100 - 11 - 2935/2.9=1, 3232/3.0=1 HG3 LYS 90 - HB3 LYS 24 poor 10 58 - 17 - 1099/2.9=2, 1053/3.0=1...(5) HG3 LYS 90 - HB2 LYS 24 poor 10 58 - 17 - 1099/2.9=2, 1053/3.0=1...(5) HG LEU 27 - HB2 LYS 73 lone 8 100 - 8 - ~10850=1 HG LEU 27 - HB3 LYS 73 lone 8 100 - 8 - ~10850=1 HD2 LYS 66 - HB2 LYS 24 lone 7 79 - 8 - HD2 LYS 66 - HB3 LYS 24 lone 7 79 - 8 - HB2 ARG 79 - HB2 LYS 73 lone 6 100 - 6 - HB2 ARG 79 - HB3 LYS 73 lone 6 100 - 6 - HD3 LYS 94 - HB2 LYS 73 lone 5 100 - 4 - HD3 LYS 94 - HB3 LYS 73 lone 5 100 - 4 - HG3 LYS 90 - HB2 LYS 73 lone 4 81 - 5 - HG3 LYS 90 - HB3 LYS 73 lone 4 80 - 5 - HG LEU 27 - HB3 LYS 24 lone 4 80 - 5 - 6401/4.4=1 HG LEU 27 - HB2 LYS 24 lone 4 80 - 5 - 6401/4.4=1 HB2 LEU 103 - HB2 LYS 24 lone 3 61 - 5 - HB2 LEU 103 - HB3 LYS 24 lone 3 61 - 5 - HD3 LYS 94 - HB2 LYS 24 lone 3 80 - 4 - HD3 LYS 94 - HB3 LYS 24 lone 3 80 - 4 - HG LEU 103 - HB2 LYS 24 lone 3 52 - 5 - HG LEU 103 - HB3 LYS 24 lone 3 52 - 5 - HB2 ARG 30 - HB2 LYS 73 lone 2 99 - 2 - HB2 ARG 30 - HB3 LYS 73 lone 2 99 - 2 - HB3 LEU 29 - HB2 LYS 73 lone 2 100 - 2 - HB3 LEU 29 - HB3 LYS 73 lone 2 100 - 2 - HG2 ARG 19 - HB2 LYS 73 lone 2 84 - 2 - HG2 ARG 19 - HB3 LYS 73 lone 2 83 - 2 - HB3 LEU 29 - HB3 LYS 24 lone 1 80 - 2 - HB3 LEU 29 - HB2 LYS 24 lone 1 80 - 2 - HG2 ARG 19 - HB3 LYS 24 lone 1 61 - 2 - HG2 ARG 19 - HB2 LYS 24 lone 1 61 - 2 - HB2 LEU 103 - HB2 LYS 73 lone 1 84 - 1 - HB2 LEU 103 - HB3 LYS 73 lone 1 83 - 1 - HB2 ARG 79 - HB3 LYS 24 lone 1 80 - 1 - HB2 ARG 79 - HB2 LYS 24 lone 1 80 - 1 - HG LEU 103 - HB2 LYS 73 lone 1 73 - 1 - HG LEU 103 - HB3 LYS 73 lone 1 73 - 1 - HB2 ARG 30 - HB2 LYS 24 lone 1 77 - 1 - HB2 ARG 30 - HB3 LYS 24 lone 1 77 - 1 - Peak 3244 from cnoeabs.peaks (1.67, 1.96, 32.28 ppm; 2.72 A): 4 out of 64 assignments used, quality = 1.00: * HD2 LYS 73 + HB2 LYS 73 OK 84 100 - 84 - 3.6=43, 3277/2.9=8...(48) HD3 LYS 73 + HB2 LYS 73 OK 84 100 - 84 - 3.6=43, 3277/2.9=8...(48) HD2 LYS 73 + HB3 LYS 73 OK 84 100 - 84 - 3.6=43, 3277/2.9=8...(48) HD3 LYS 73 + HB3 LYS 73 OK 84 100 - 84 - 3.6=43, 3277/2.9=8...(48) HD2 LYS 73 - HB2 LYS 24 OK 22 80 - 28 - 3285=2, 3.0/3274=1...(5) HD2 LYS 73 - HB3 LYS 24 OK 22 80 - 28 - 3285=2, 3.0/3274=1...(5) HD3 LYS 73 - HB3 LYS 24 OK 22 80 - 28 - 3296=2, 3296/1.8=1...(5) HD3 LYS 73 - HB2 LYS 24 OK 22 80 - 28 - 3296=2, 3296/1.8=1...(5) HD2 LYS 47 - HB2 LYS 73 OK 18 84 - 21 - 3.0/2170=1, 3277/2.9=1 HD2 LYS 47 - HB3 LYS 73 OK 18 83 - 21 - 3.0/2170=1, 3277/2.9=1 HD3 LYS 47 - HB2 LYS 73 OK 17 81 - 21 - 3.0/2170=1, 3277/2.9=1 HD3 LYS 47 - HB3 LYS 73 OK 17 80 - 21 - 3.0/2170=1, 3277/2.9=1 HD2 LYS 47 - HB3 LYS 24 OK 13 61 - 22 - 3.0/2170=2, ~2170=1, ~12306=1 HD2 LYS 47 - HB2 LYS 24 OK 13 61 - 22 - 3.0/2170=2, ~2170=1, ~12306=1 HD3 LYS 47 - HB2 LYS 24 OK 13 58 - 22 - 3.0/2170=2, ~2170=1, ~12306=1 HD3 LYS 47 - HB3 LYS 24 OK 13 58 - 22 - 3.0/2170=2, ~2170=1, ~12306=1 HD2 LYS 20 - HB2 LYS 73 lone 4 92 - 4 - HD2 LYS 20 - HB3 LYS 73 lone 4 91 - 4 - HB3 ARG 91 - HB2 LYS 73 lone 4 77 - 4 - HB3 ARG 91 - HB3 LYS 73 lone 4 77 - 4 - HB ILE 52 - HB3 LYS 73 lone 3 100 - 3 - HB ILE 52 - HB2 LYS 73 lone 3 100 - 3 - HG3 LYS 20 - HB2 LYS 73 lone 3 97 - 3 - HD3 LYS 20 - HB2 LYS 73 lone 3 97 - 3 - HG3 LYS 20 - HB3 LYS 73 lone 3 97 - 3 - HD3 LYS 20 - HB3 LYS 73 lone 3 97 - 3 - HB3 ARG 79 - HB2 LYS 73 lone 3 84 - 3 - HB3 ARG 79 - HB3 LYS 73 lone 3 83 - 3 - HB3 LYS 40 - HB2 LYS 73 lone 2 73 - 2 - HB3 LYS 40 - HB3 LYS 73 lone 2 73 - 2 - HD2 LYS 39 - HB2 LYS 73 lone 2 84 - 2 - HD2 LYS 39 - HB3 LYS 73 lone 2 83 - 2 - HD2 LYS 68 - HB2 LYS 73 lone 1 77 - 1 - HD2 LYS 68 - HB3 LYS 73 lone 1 77 - 1 - HD3 LYS 68 - HB2 LYS 73 lone 1 73 - 1 - HD3 LYS 68 - HB3 LYS 73 lone 1 73 - 1 - HG3 LYS 20 - HB2 LYS 24 lone 1 74 - 1 - HG3 LYS 20 - HB3 LYS 24 lone 1 74 - 1 - HB ILE 52 - HB3 LYS 24 lone 1 79 - 1 - HB ILE 52 - HB2 LYS 24 lone 1 79 - 1 - HB3 ARG 91 - HB3 LYS 24 lone 1 55 - 2 - HB3 ARG 91 - HB2 LYS 24 lone 1 55 - 2 - HD3 LYS 20 - HB3 LYS 24 lone 1 74 - 1 - HD3 LYS 20 - HB2 LYS 24 lone 1 74 - 1 - HD2 LYS 20 - HB3 LYS 24 lone 1 68 - 1 - HD2 LYS 20 - HB2 LYS 24 lone 1 68 - 1 - HB3 LEU 6 - HB2 LYS 73 lone 1 61 - 1 - HB3 LEU 6 - HB3 LYS 73 lone 1 61 - 1 - HB3 LYS 53 - HB2 LYS 73 lone 0 65 - 1 - HB3 LYS 53 - HB3 LYS 73 lone 0 65 - 1 - HB3 ARG 79 - HB2 LYS 24 lone 0 61 - 1 - HB3 ARG 79 - HB3 LYS 24 lone 0 61 - 1 - HD2 LYS 39 - HB2 LYS 24 lone 0 61 - 0 - HD2 LYS 39 - HB3 LYS 24 lone 0 61 - 0 - HB3 LEU 6 - HB2 LYS 24 lone 0 42 - 1 - HB3 LEU 6 - HB3 LYS 24 lone 0 42 - 1 - HD2 LYS 68 - HB3 LYS 24 lone 0 55 - 0 - HD2 LYS 68 - HB2 LYS 24 lone 0 55 - 0 - HB3 LYS 40 - HB3 LYS 24 lone 0 52 - 0 - HB3 LYS 40 - HB2 LYS 24 lone 0 52 - 0 - HD3 LYS 68 - HB2 LYS 24 lone 0 52 - 0 - HD3 LYS 68 - HB3 LYS 24 lone 0 52 - 0 - HB3 LYS 53 - HB2 LYS 24 lone 0 46 - 0 - HB3 LYS 53 - HB3 LYS 24 lone 0 46 - 0 - Peak 3245 from cnoeabs.peaks (1.67, 1.96, 32.28 ppm; 2.81 A): 4 out of 64 assignments used, quality = 1.00: * HD3 LYS 73 + HB2 LYS 73 OK 87 100 - 87 - 3.6=48, 3277/2.9=8...(49) HD3 LYS 73 + HB3 LYS 73 OK 86 100 - 87 - 3.6=48, 3277/2.9=8...(49) HD2 LYS 73 + HB2 LYS 73 OK 86 100 - 87 - 3.6=48, 3277/2.9=8...(48) HD2 LYS 73 + HB3 LYS 73 OK 86 100 - 87 - 3.6=48, 3277/2.9=8...(48) HD3 LYS 73 - HB3 LYS 24 OK 24 80 - 30 - 3296=2, 3.0/3274=2...(6) HD3 LYS 73 - HB2 LYS 24 OK 24 80 - 30 - 3296=2, 3.0/3274=2...(6) HD2 LYS 73 - HB2 LYS 24 OK 23 80 - 30 - 3285=2, 3.0/3274=2...(6) HD2 LYS 73 - HB3 LYS 24 OK 23 80 - 30 - 3285=2, 3.0/3274=2...(6) HD2 LYS 47 - HB2 LYS 73 OK 17 77 - 23 - 3.0/2170=1, 3277/2.9=1 HD2 LYS 47 - HB3 LYS 73 OK 17 77 - 23 - 3.0/2170=1, 3277/2.9=1 HD3 LYS 47 - HB2 LYS 73 OK 16 73 - 22 - 3.0/2170=1, 3277/2.9=1 HD3 LYS 47 - HB3 LYS 73 OK 16 73 - 22 - 3.0/2170=1, 3277/2.9=1 HD2 LYS 47 - HB3 LYS 24 OK 13 55 - 23 - 3.0/2170=2, ~2170=1...(5) HD2 LYS 47 - HB2 LYS 24 OK 13 55 - 23 - 3.0/2170=2, ~2170=1...(5) HD3 LYS 47 - HB2 LYS 24 OK 12 52 - 23 - 3.0/2170=2, ~2170=1...(5) HD3 LYS 47 - HB3 LYS 24 OK 12 52 - 23 - 3.0/2170=2, ~2170=1...(5) HB ILE 52 - HB3 LYS 73 lone 4 99 - 4 - HB ILE 52 - HB2 LYS 73 lone 4 99 - 4 - HD2 LYS 20 - HB2 LYS 73 lone 4 87 - 4 - HD2 LYS 20 - HB3 LYS 73 lone 4 86 - 4 - HG3 LYS 20 - HB2 LYS 73 lone 4 94 - 4 - HG3 LYS 20 - HB3 LYS 73 lone 3 94 - 4 - HD3 LYS 20 - HB2 LYS 73 lone 3 94 - 3 - HD3 LYS 20 - HB3 LYS 73 lone 3 94 - 3 - HB3 ARG 91 - HB2 LYS 73 lone 3 70 - 5 - HB3 ARG 91 - HB3 LYS 73 lone 3 69 - 5 - HB3 ARG 79 - HB2 LYS 73 lone 3 90 - 4 - HB3 ARG 79 - HB3 LYS 73 lone 3 89 - 4 - HD2 LYS 39 - HB2 LYS 73 lone 2 90 - 2 - HD2 LYS 39 - HB3 LYS 73 lone 2 89 - 2 - HB3 LYS 40 - HB2 LYS 73 lone 2 65 - 2 - HB3 LYS 40 - HB3 LYS 73 lone 2 65 - 2 - HB2 LYS 40 - HB2 LYS 73 lone 2 61 - 3 - HB2 LYS 40 - HB3 LYS 73 lone 2 61 - 3 - HD2 LYS 68 - HB2 LYS 73 lone 1 84 - 2 - HD2 LYS 68 - HB3 LYS 73 lone 1 83 - 2 - HD3 LYS 68 - HB2 LYS 73 lone 1 81 - 2 - HD3 LYS 68 - HB3 LYS 73 lone 1 80 - 2 - HB ILE 52 - HB2 LYS 24 lone 1 77 - 1 - HB ILE 52 - HB3 LYS 24 lone 1 77 - 1 - HG3 LYS 20 - HB3 LYS 24 lone 1 71 - 1 - HG3 LYS 20 - HB2 LYS 24 lone 1 71 - 1 - HB3 ARG 91 - HB3 LYS 24 lone 1 49 - 2 - HB3 ARG 91 - HB2 LYS 24 lone 1 49 - 2 - HD3 LYS 20 - HB2 LYS 24 lone 1 71 - 1 - HD3 LYS 20 - HB3 LYS 24 lone 1 71 - 1 - HB3 LEU 6 - HB2 LYS 73 lone 1 70 - 1 - HB3 LEU 6 - HB3 LYS 73 lone 1 69 - 1 - HD2 LYS 20 - HB3 LYS 24 lone 1 63 - 1 - HD2 LYS 20 - HB2 LYS 24 lone 1 63 - 1 - HB3 ARG 79 - HB3 LYS 24 lone 0 66 - 1 - HB3 ARG 79 - HB2 LYS 24 lone 0 66 - 1 - HD2 LYS 39 - HB2 LYS 24 lone 0 66 - 1 - HD2 LYS 39 - HB3 LYS 24 lone 0 66 - 1 - HB3 LEU 6 - HB2 LYS 24 lone 0 49 - 1 - HB3 LEU 6 - HB3 LYS 24 lone 0 49 - 1 - HD2 LYS 68 - HB2 LYS 24 lone 0 61 - 0 - HD2 LYS 68 - HB3 LYS 24 lone 0 61 - 0 - HD3 LYS 68 - HB3 LYS 24 lone 0 58 - 0 - HD3 LYS 68 - HB2 LYS 24 lone 0 58 - 0 - HB2 LYS 40 - HB2 LYS 24 lone 0 42 - 1 - HB2 LYS 40 - HB3 LYS 24 lone 0 42 - 1 - HB3 LYS 40 - HB3 LYS 24 lone 0 46 - 0 - HB3 LYS 40 - HB2 LYS 24 lone 0 46 - 0 - Peak 3246 from cnoeabs.peaks (2.95, 1.96, 32.28 ppm; 3.87 A): 8 out of 44 assignments used, quality = 1.00: * HE2 LYS 73 + HB2 LYS 73 OK 94 100 - 94 - 4.9=50, 3320/2.9=11...(50) HE2 LYS 73 + HB3 LYS 73 OK 93 100 - 94 - 4.9=50, 3320/2.9=11...(50) HE3 LYS 73 + HB2 LYS 73 OK 93 99 - 94 - 4.9=50, 3320/2.9=12...(52) HE3 LYS 73 + HB3 LYS 73 OK 93 99 - 94 - 4.9=50, 3320/2.9=12...(52) HE2 LYS 24 + HB3 LYS 24 OK 58 66 - 87 - 4.9=48, 3.7/1097=9...(53) HE2 LYS 24 + HB2 LYS 24 OK 58 66 - 87 - 4.9=48, 3.7/1097=9...(53) HE3 LYS 24 + HB3 LYS 24 OK 58 66 - 87 - 4.9=48, 3.7/1097=9...(53) HE3 LYS 24 + HB2 LYS 24 OK 58 66 - 87 - 4.9=48, 3.7/1097=9...(53) HE3 LYS 13 - HB2 LYS 73 OK 34 97 - 35 - 3309/2.9=2, 3235/3.0=2...(10) HE3 LYS 13 - HB3 LYS 73 OK 34 97 - 35 - 3309/2.9=2, 3235/3.0=2...(10) HE2 LYS 13 - HB2 LYS 73 OK 33 94 - 35 - 3235/3.0=2, 3279/2.9=2...(13) HE2 LYS 13 - HB3 LYS 73 OK 33 94 - 35 - 3235/3.0=2, 3279/2.9=2...(13) HE2 LYS 24 - HB2 LYS 73 OK 32 90 - 36 - 3.7/1097=3, 3.7/1086=2...(12) HE3 LYS 24 - HB2 LYS 73 OK 32 90 - 36 - 3.7/1097=3, 3.7/1086=2...(12) HE2 LYS 73 - HB3 LYS 24 OK 32 80 - 40 - 3317=3, 1.8/3318=2...(21) HE2 LYS 73 - HB2 LYS 24 OK 32 80 - 40 - 3317=3, 1.8/3318=2...(21) HE3 LYS 24 - HB3 LYS 73 OK 32 89 - 36 - 3.7/1097=3, 3.7/1086=2...(12) HE2 LYS 24 - HB3 LYS 73 OK 32 89 - 36 - 3.7/1097=3, 3.7/1086=2...(12) HE3 LYS 73 - HB2 LYS 24 OK 32 77 - 41 - 3318=3, 3320/2.9=3...(26) HE3 LYS 73 - HB3 LYS 24 OK 32 77 - 41 - 3318=3, 3320/2.9=3...(26) HE3 LYS 13 - HB2 LYS 24 OK 30 74 - 40 - 1104/2.9=2, 3306=2...(18) HE3 LYS 13 - HB3 LYS 24 OK 30 74 - 40 - 1104/2.9=2, 3306=2...(18) HE2 LYS 13 - HB3 LYS 24 OK 28 71 - 40 - 1103/2.9=2, ~1104=2...(18) HE2 LYS 13 - HB2 LYS 24 OK 28 71 - 40 - 1103/2.9=2, ~1104=2...(18) HE3 LYS 12 - HB3 LYS 24 OK 17 58 - 30 - ~464=3, ~434=3...(10) HE3 LYS 12 - HB2 LYS 24 OK 17 58 - 30 - ~464=3, ~434=3...(10) HE3 LYS 90 - HB2 LYS 24 OK 12 55 - 21 - ~3965=3, 4006/2.9=3...(7) HE3 LYS 90 - HB3 LYS 24 OK 12 55 - 21 - ~3965=3, 4006/2.9=3...(7) HE3 LYS 12 - HB2 LYS 73 OK 10 81 - 13 - ~434=2, ~464=2 HE3 LYS 12 - HB3 LYS 73 OK 10 80 - 13 - ~434=2, ~464=2 HB2 ASN 51 - HB3 LYS 73 lone 9 99 - 9 - 9131/3.0=2, ~9134=1 HB2 ASN 51 - HB2 LYS 73 lone 9 99 - 9 - 9131/3.0=2, ~9134=1 HG2 MET 21 - HB2 LYS 73 lone 7 90 - 8 - 3.9/958=2, 12042/3.6=1 HG2 MET 21 - HB3 LYS 73 lone 7 89 - 8 - 3.9/958=2, 12042/3.6=1 HE3 LYS 90 - HB2 LYS 73 lone 4 77 - 5 - HE3 LYS 90 - HB3 LYS 73 lone 4 77 - 5 - HG2 MET 21 - HB3 LYS 24 lone 4 66 - 6 - 3.9/957=3 HG2 MET 21 - HB2 LYS 24 lone 4 66 - 6 - 3.9/957=3 HB2 ASN 51 - HB3 LYS 24 lone 2 77 - 3 - HB2 ASN 51 - HB2 LYS 24 lone 2 77 - 3 - HB3 PHE 45 - HB2 LYS 73 lone 1 73 - 2 - HB3 PHE 45 - HB3 LYS 73 lone 1 73 - 2 - HB3 PHE 45 - HB2 LYS 24 lone 1 52 - 2 - HB3 PHE 45 - HB3 LYS 24 lone 1 52 - 2 - Peak 3247 from cnoeabs.peaks (2.95, 1.96, 32.28 ppm; 3.87 A): 8 out of 44 assignments used, quality = 1.00: * HE3 LYS 73 + HB2 LYS 73 OK 94 100 - 94 - 4.9=50, 3320/2.9=13...(52) HE3 LYS 73 + HB3 LYS 73 OK 94 100 - 94 - 4.9=50, 3320/2.9=13...(52) HE2 LYS 73 + HB2 LYS 73 OK 93 99 - 94 - 4.9=50, 3320/2.9=11...(50) HE2 LYS 73 + HB3 LYS 73 OK 92 99 - 94 - 4.9=50, 3320/2.9=11...(50) HE2 LYS 24 + HB3 LYS 24 OK 45 52 - 87 - 4.9=48, 3.7/1098=9...(53) HE2 LYS 24 + HB2 LYS 24 OK 45 52 - 87 - 4.9=48, 3.7/1098=9...(53) HE3 LYS 24 + HB3 LYS 24 OK 45 52 - 87 - 4.9=48, 3.7/1098=9...(53) HE3 LYS 24 + HB2 LYS 24 OK 45 52 - 87 - 4.9=48, 3.7/1098=9...(53) HE3 LYS 73 - HB2 LYS 24 OK 33 80 - 41 - 3318=3, 3320/2.9=3...(25) HE3 LYS 73 - HB3 LYS 24 OK 33 80 - 41 - 3318=3, 3320/2.9=3...(25) HE2 LYS 73 - HB2 LYS 24 OK 31 77 - 40 - 3317=3, 1.8/3318=2...(20) HE2 LYS 73 - HB3 LYS 24 OK 31 77 - 40 - 3317=3, 1.8/3318=2...(20) HE3 LYS 13 - HB2 LYS 73 OK 30 87 - 35 - 3309/2.9=2, 3235/3.0=2...(10) HE3 LYS 13 - HB3 LYS 73 OK 30 86 - 35 - 3309/2.9=2, 3235/3.0=2...(10) HE2 LYS 13 - HB2 LYS 73 OK 28 81 - 34 - 3235/3.0=2, 3279/2.9=2...(13) HE2 LYS 13 - HB3 LYS 73 OK 28 80 - 35 - 3235/3.0=2, 3279/2.9=2...(13) HE2 LYS 24 - HB2 LYS 73 OK 26 73 - 36 - 3.7/1097=3, 3.7/1086=2...(10) HE3 LYS 24 - HB2 LYS 73 OK 26 73 - 36 - 3.7/1097=3, 3.7/1086=2...(10) HE2 LYS 24 - HB3 LYS 73 OK 26 73 - 36 - 3.7/1098=3, 3.7/1087=2...(10) HE3 LYS 24 - HB3 LYS 73 OK 26 73 - 36 - 3.7/1098=3, 3.7/1087=2...(10) HE3 LYS 13 - HB3 LYS 24 OK 25 63 - 39 - ~1104=2, ~1103=2, 3306=2...(18) HE3 LYS 13 - HB2 LYS 24 OK 25 63 - 39 - ~1104=2, ~1103=2, 3306=2...(18) HE2 LYS 13 - HB3 LYS 24 OK 22 58 - 39 - ~1104=2, ~1103=2...(18) HE2 LYS 13 - HB2 LYS 24 OK 22 58 - 39 - ~1104=2, ~1103=2...(18) HE3 LYS 90 - HB3 LYS 24 OK 16 68 - 23 - 4006/2.9=4, ~3965=3...(7) HE3 LYS 90 - HB2 LYS 24 OK 16 68 - 23 - 4006/2.9=4, ~3965=3...(7) HE3 LYS 12 - HB3 LYS 24 OK 12 42 - 29 - ~464=3, ~434=3, ~1466=2...(8) HE3 LYS 12 - HB2 LYS 24 OK 12 42 - 29 - ~464=3, ~434=3, ~1466=2...(8) HB2 ASN 51 - HB3 LYS 73 lone 9 100 - 9 - 9131/3.0=2, ~9134=1 HB2 ASN 51 - HB2 LYS 73 lone 9 100 - 9 - 9131/3.0=2, ~9134=1 HG2 MET 21 - HB2 LYS 73 lone 9 98 - 9 - 3.9/957=2, 12042/3.6=1 HG2 MET 21 - HB3 LYS 73 lone 9 98 - 9 - 3.9/957=2, 12042/3.6=1 HE3 LYS 12 - HB2 LYS 73 poor 8 61 - 12 - ~434=2, ~464=2 HE3 LYS 12 - HB3 LYS 73 poor 8 61 - 13 - ~434=2, ~464=2 HE3 LYS 90 - HB2 LYS 73 lone 5 92 - 6 - HE3 LYS 90 - HB3 LYS 73 lone 5 91 - 6 - HG2 MET 21 - HB2 LYS 24 lone 5 76 - 6 - 3.9/957=3 HG2 MET 21 - HB3 LYS 24 lone 5 76 - 6 - 3.9/957=3 HB2 ASN 51 - HB3 LYS 24 lone 2 80 - 3 - HB2 ASN 51 - HB2 LYS 24 lone 2 80 - 3 - HB2 ASN 10 - HB2 LYS 73 lone 1 65 - 1 - HB2 ASN 10 - HB3 LYS 73 lone 1 65 - 1 - HB2 ASN 10 - HB3 LYS 24 lone 0 46 - 1 - HB2 ASN 10 - HB2 LYS 24 lone 0 46 - 1 - Peak 3248 from cnoeabs.peaks (7.75, 1.96, 32.28 ppm; 3.36 A): 2 out of 16 assignments used, quality = 0.92: * H MET 74 + HB2 LYS 73 OK 71 100 - 71 - 4.6=38, 7213/4.1=13...(18) H MET 74 + HB3 LYS 73 OK 71 100 - 71 - 4.6=38, 7213/4.1=13...(18) H MET 74 - HB3 LYS 24 OK 19 80 - 24 - 7218=3, 7218/1.8=3...(10) H MET 74 - HB2 LYS 24 OK 19 80 - 24 - 7218=3, 7218/1.8=3...(10) H GLU 37 - HB2 LYS 73 OK 14 99 - 14 - 3237/3.0=3, 7213/4.1=3...(6) H GLU 37 - HB3 LYS 73 OK 14 99 - 14 - 3237/3.0=3, 7213/4.1=3...(6) H VAL 78 - HB2 LYS 73 OK 13 96 - 14 - 7213/4.1=3, 3237/3.0=3...(6) H VAL 78 - HB3 LYS 73 OK 13 95 - 14 - 7213/4.1=3, 3237/3.0=3...(6) H ASN 60 - HB2 LYS 73 lone 6 73 - 9 - 4.6/9582=2, 3237/3.0=1...(4) H ASN 60 - HB3 LYS 73 lone 6 73 - 9 - 4.6/9582=2, 3237/3.0=1...(4) H GLU 37 - HB3 LYS 24 lone 4 77 - 5 - H GLU 37 - HB2 LYS 24 lone 4 77 - 5 - H VAL 78 - HB3 LYS 24 lone 1 73 - 2 - H VAL 78 - HB2 LYS 24 lone 1 73 - 2 - H ASN 60 - HB3 LYS 24 lone 1 52 - 2 - H ASN 60 - HB2 LYS 24 lone 1 52 - 2 - Peak 3249 from cnoeabs.peaks (7.84, 1.96, 32.28 ppm; 3.08 A): 2 out of 16 assignments used, quality = 0.95: * H LYS 73 + HB3 LYS 73 OK 77 100 - 77 - 4.1=44, 7206/1.8=11...(18) H LYS 73 + HB2 LYS 73 OK 77 100 - 77 - 4.1=44, 7206/1.8=11...(18) H LYS 73 - HB2 LYS 24 OK 22 75 - 29 - 7206=5, 7206/1.8=4...(11) H LYS 73 - HB3 LYS 24 OK 22 75 - 29 - 7206=5, 7206/1.8=4...(11) H ASN 26 - HB3 LYS 24 OK 21 75 - 28 - 6411/4.4=11, 8606/4.0=8...(7) H ASN 26 - HB2 LYS 24 OK 21 75 - 28 - 6411/4.4=11, 8606/4.0=8...(7) H ASN 26 - HB2 LYS 73 OK 16 100 - 16 - 3271/2.9=3, 3227/3.0=3...(7) H ASN 26 - HB3 LYS 73 OK 16 100 - 16 - 3271/2.9=3, 3227/3.0=3...(7) H LEU 3 - HB2 LYS 73 lone 9 100 - 9 - 3227/3.0=2, 3271/2.9=1...(4) H LEU 3 - HB3 LYS 73 lone 9 100 - 9 - 3227/3.0=2, 3271/2.9=1...(4) H LEU 3 - HB2 LYS 24 lone 4 74 - 6 - 6409/4.4=2 H LEU 3 - HB3 LYS 24 lone 4 74 - 6 - 6409/4.4=2 H TYR 41 - HB3 LYS 73 lone 3 65 - 4 - 7215/4.6=1 H TYR 41 - HB2 LYS 73 lone 3 65 - 4 - 7215/4.6=1 H TYR 41 - HB2 LYS 24 lone 1 42 - 1 - H TYR 41 - HB3 LYS 24 lone 1 42 - 1 - Peak 3250 from cnoeabs.peaks (4.17, 1.96, 32.28 ppm; 3.03 A): 2 out of 28 assignments used, quality = 1.00: * HA LYS 73 + HB3 LYS 73 OK 100 100 - 100 - 3.0=100 HA LYS 73 + HB2 LYS 73 OK 100 100 - 100 - 3.0=100 HA LYS 73 - HB2 LYS 24 OK 23 75 - 30 - 3230=4, 3232/2.9=3...(9) HA LYS 73 - HB3 LYS 24 OK 23 75 - 30 - 3230=4, 3232/2.9=3...(9) HA GLN 72 - HB3 LYS 73 OK 18 70 - 27 - 3.6/7206=6, 10848/4.6=2...(14) HA GLN 72 - HB2 LYS 73 OK 18 69 - 27 - 3.6/7206=6, 10848/4.6=2...(14) HA MET 1 - HB3 LYS 73 OK 14 81 - 17 - 7/1.8=2, 3272/2.9=1...(5) HA MET 1 - HB2 LYS 73 OK 12 80 - 15 - 3/1.8=1, 3272/2.9=1...(4) HB2 SER 59 - HB3 LYS 73 OK 11 84 - 12 - 1.8/9582=3, ~9582=2, 3272/2.9=1 HB2 SER 59 - HB2 LYS 73 OK 11 83 - 12 - 1.8/9582=3, ~9582=2, 3272/2.9=1 HA LYS 13 - HB3 LYS 73 poor 8 70 - 12 - 7216/4.6=1, 3272/2.9=1 HA LYS 13 - HB2 LYS 73 poor 8 69 - 12 - 7216/4.6=1, 3272/2.9=1 HA LYS 13 - HB2 LYS 24 lone 4 45 - 8 - HA LYS 13 - HB3 LYS 24 lone 4 45 - 8 - HA MET 1 - HB2 LYS 24 lone 4 53 - 7 - 7/1.8=1 HA MET 1 - HB3 LYS 24 lone 4 53 - 7 - 7/1.8=1 HA GLN 72 - HB2 LYS 24 lone 2 45 - 4 - 3.6/7206=2 HA GLN 72 - HB3 LYS 24 lone 2 45 - 4 - 3.6/7206=2 HB3 SER 85 - HB2 LYS 24 lone 2 39 - 5 - 4.0/9860=1, 9954/2.9=1 HB3 SER 85 - HB3 LYS 24 lone 2 39 - 5 - 4.0/9860=1, 9954/2.9=1 HB2 SER 59 - HB3 LYS 24 lone 1 56 - 2 - HB2 SER 59 - HB2 LYS 24 lone 1 56 - 2 - HB3 SER 85 - HB2 LYS 73 lone 1 61 - 2 - HB3 SER 85 - HB3 LYS 73 lone 1 61 - 2 - HA GLU 98 - HB3 LYS 73 lone 1 73 - 1 - HA GLU 98 - HB2 LYS 73 lone 1 73 - 1 - HA GLU 98 - HB2 LYS 24 lone 0 48 - 0 - HA GLU 98 - HB3 LYS 24 lone 0 48 - 0 - Peak 3251 from cnoeabs.peaks (1.96, 1.96, 32.28 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 LYS 73 + HB3 LYS 73 OK 100 100 - 100 HB2 LYS 73 + HB2 LYS 73 OK 100 100 - 100 HB2 LYS 24 + HB2 LYS 24 OK 72 72 - 100 HB3 LYS 24 + HB3 LYS 24 OK 72 72 - 100 Reference assignment not found: HB2 LYS 73 - HB3 LYS 73 Peak 3252 from cnoeabs.peaks (1.96, 1.96, 32.28 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LYS 73 + HB3 LYS 73 OK 100 100 - 100 HB2 LYS 73 + HB2 LYS 73 OK 100 100 - 100 HB2 LYS 24 + HB2 LYS 24 OK 71 71 - 100 HB3 LYS 24 + HB3 LYS 24 OK 71 71 - 100 Peak 3253 from cnoeabs.peaks (1.49, 1.96, 32.28 ppm; 2.96 A): 4 out of 44 assignments used, quality = 1.00: * HG2 LYS 73 + HB3 LYS 73 OK 100 100 - 100 - 2.9=100 HG2 LYS 73 + HB2 LYS 73 OK 100 100 - 100 - 2.9=100 HG3 LYS 24 + HB3 LYS 24 OK 48 48 - 100 - 2.9=100 HG3 LYS 24 + HB2 LYS 24 OK 48 48 - 100 - 2.9=100 HG2 LYS 47 - HB3 LYS 73 OK 30 100 - 30 - 3231/3.0=3, 3275/2.9=2...(11) HG2 LYS 47 - HB2 LYS 73 OK 30 100 - 30 - 3231/3.0=3, 3275/2.9=2...(12) HG3 LYS 24 - HB3 LYS 73 OK 24 73 - 33 - ~9954=3, 3231/3.0=2...(11) HG3 LYS 24 - HB2 LYS 73 OK 24 73 - 33 - ~9954=3, 3231/3.0=2...(11) HG2 LYS 73 - HB2 LYS 24 OK 23 75 - 31 - 1.8/3274=2, 3263=2...(12) HG2 LYS 73 - HB3 LYS 24 OK 23 75 - 31 - 1.8/3274=2, 3263=2...(12) HG2 LYS 47 - HB2 LYS 24 OK 22 75 - 29 - 1.8/2170=3, ~2170=2...(8) HG2 LYS 47 - HB3 LYS 24 OK 22 75 - 29 - 1.8/2170=3, ~2170=2...(8) HG3 LYS 13 - HB3 LYS 73 OK 18 99 - 18 - 3231/3.0=2, 3275/2.9=1...(5) HG3 LYS 13 - HB2 LYS 73 OK 18 99 - 18 - 3231/3.0=2, 3275/2.9=1...(5) HG3 LYS 66 - HB3 LYS 73 OK 13 100 - 13 - 3275/2.9=1, 3231/3.0=1 HG2 LYS 66 - HB3 LYS 73 OK 13 100 - 13 - 3275/2.9=1, 3231/3.0=1 HG3 LYS 66 - HB2 LYS 73 OK 13 100 - 13 - 3275/2.9=1, 3231/3.0=1 HG2 LYS 66 - HB2 LYS 73 OK 13 100 - 13 - 3275/2.9=1, 3231/3.0=1 HG3 LYS 13 - HB3 LYS 24 OK 13 72 - 18 - 3263=1 HG3 LYS 13 - HB2 LYS 24 OK 13 72 - 18 - 3263=1 HB2 ARG 91 - HB3 LYS 73 lone 8 98 - 8 - HB2 ARG 91 - HB2 LYS 73 lone 8 98 - 8 - HG3 LYS 66 - HB2 LYS 24 lone 7 75 - 9 - HG3 LYS 66 - HB3 LYS 24 lone 7 75 - 9 - HG2 LYS 66 - HB2 LYS 24 lone 7 75 - 9 - HG2 LYS 66 - HB3 LYS 24 lone 7 75 - 9 - HG3 LYS 33 - HB2 LYS 24 lone 5 59 - 8 - HG3 LYS 33 - HB3 LYS 24 lone 5 59 - 8 - HB3 LEU 64 - HB3 LYS 73 lone 4 100 - 4 - HB3 LEU 64 - HB2 LYS 73 lone 4 100 - 4 - HG LEU 57 - HB3 LYS 73 lone 4 94 - 4 - HG LEU 57 - HB2 LYS 73 lone 4 94 - 4 - HB3 LEU 64 - HB3 LYS 24 lone 3 75 - 5 - 2818/4.4=3 HB3 LEU 64 - HB2 LYS 24 lone 3 75 - 5 - 2818/4.4=3 HG LEU 64 - HB3 LYS 73 lone 3 87 - 4 - HG LEU 64 - HB2 LYS 73 lone 3 86 - 4 - HB2 ARG 91 - HB2 LYS 24 lone 3 71 - 4 - HB2 ARG 91 - HB3 LYS 24 lone 3 71 - 4 - HG3 LYS 33 - HB3 LYS 73 lone 2 87 - 2 - HG3 LYS 33 - HB2 LYS 73 lone 2 86 - 2 - HG LEU 64 - HB2 LYS 24 lone 2 59 - 3 - 2826/4.4=2 HG LEU 64 - HB3 LYS 24 lone 2 59 - 3 - 2826/4.4=2 HG LEU 57 - HB3 LYS 24 lone 1 66 - 2 - HG LEU 57 - HB2 LYS 24 lone 1 66 - 2 - Peak 3254 from cnoeabs.peaks (1.60, 1.96, 32.28 ppm; 2.90 A): 4 out of 52 assignments used, quality = 1.00: * HG3 LYS 73 + HB3 LYS 73 OK 99 100 - 99 - 2.9=97, 3232/3.0=9...(39) HG3 LYS 73 + HB2 LYS 73 OK 99 100 - 99 - 2.9=97, 3232/3.0=9...(39) HG2 LYS 24 + HB3 LYS 24 OK 58 59 - 98 - 2.9=96, 1.8/1097=10...(27) HG2 LYS 24 + HB2 LYS 24 OK 58 59 - 98 - 2.9=96, 1.8/1097=10...(27) HG2 LYS 24 - HB3 LYS 73 OK 28 87 - 33 - 3232/3.0=3, 1.8/1098=3...(13) HG2 LYS 24 - HB2 LYS 73 OK 28 86 - 32 - 3232/3.0=3, 1.8/1097=3...(13) HG3 LYS 73 - HB3 LYS 24 OK 23 75 - 31 - 3274=4, 3274/1.8=2...(8) HG3 LYS 73 - HB2 LYS 24 OK 23 75 - 31 - 3274=4, 3274/1.8=2...(8) HG3 LYS 12 - HB3 LYS 24 OK 14 73 - 20 - 3273=2, 1099/2.9=2...(5) HG3 LYS 12 - HB2 LYS 24 OK 14 73 - 20 - 3273=2, 1099/2.9=2...(5) HG3 LYS 12 - HB3 LYS 73 OK 14 99 - 14 - 3274=2, 3232/3.0=1...(5) HG3 LYS 12 - HB2 LYS 73 OK 14 99 - 14 - 3274=2, 3232/3.0=1...(5) HD2 LYS 66 - HB3 LYS 73 OK 11 100 - 11 - 2935/2.9=1, 3232/3.0=1 HD2 LYS 66 - HB2 LYS 73 OK 11 100 - 11 - 2935/2.9=1, 3232/3.0=1 HG3 LYS 90 - HB3 LYS 24 poor 9 53 - 17 - 1099/2.9=2, 1053/3.0=1...(5) HG3 LYS 90 - HB2 LYS 24 poor 9 53 - 17 - 1099/2.9=2, 1053/3.0=1...(5) HG LEU 27 - HB2 LYS 73 lone 8 100 - 8 - ~10850=1 HG LEU 27 - HB3 LYS 73 lone 8 100 - 8 - ~10850=1 HB2 ARG 79 - HB3 LYS 73 lone 6 100 - 6 - HB2 ARG 79 - HB2 LYS 73 lone 6 100 - 6 - HD2 LYS 66 - HB2 LYS 24 lone 6 74 - 8 - HD2 LYS 66 - HB3 LYS 24 lone 6 74 - 8 - HD3 LYS 94 - HB2 LYS 73 lone 5 100 - 4 - HD3 LYS 94 - HB3 LYS 73 lone 5 100 - 4 - HG3 LYS 90 - HB3 LYS 73 lone 4 81 - 5 - HG3 LYS 90 - HB2 LYS 73 lone 4 80 - 5 - HG LEU 27 - HB3 LYS 24 lone 4 75 - 5 - 6401/4.4=1 HG LEU 27 - HB2 LYS 24 lone 4 75 - 5 - 6401/4.4=1 HB2 LEU 103 - HB3 LYS 24 lone 3 56 - 5 - HB2 LEU 103 - HB2 LYS 24 lone 3 56 - 5 - HD3 LYS 94 - HB2 LYS 24 lone 3 75 - 4 - HD3 LYS 94 - HB3 LYS 24 lone 3 75 - 4 - HB2 ARG 30 - HB3 LYS 73 lone 2 99 - 2 - HB2 ARG 30 - HB2 LYS 73 lone 2 99 - 2 - HG LEU 103 - HB2 LYS 24 lone 2 48 - 5 - HG LEU 103 - HB3 LYS 24 lone 2 48 - 5 - HB3 LEU 29 - HB2 LYS 73 lone 2 100 - 2 - HB3 LEU 29 - HB3 LYS 73 lone 2 100 - 2 - HG2 ARG 19 - HB3 LYS 73 lone 2 84 - 2 - HG2 ARG 19 - HB2 LYS 73 lone 2 83 - 2 - HB3 LEU 29 - HB3 LYS 24 lone 1 75 - 2 - HB3 LEU 29 - HB2 LYS 24 lone 1 75 - 2 - HG2 ARG 19 - HB3 LYS 24 lone 1 56 - 2 - HG2 ARG 19 - HB2 LYS 24 lone 1 56 - 2 - HB2 LEU 103 - HB3 LYS 73 lone 1 84 - 1 - HB2 LEU 103 - HB2 LYS 73 lone 1 83 - 1 - HG LEU 103 - HB3 LYS 73 lone 1 73 - 1 - HG LEU 103 - HB2 LYS 73 lone 1 73 - 1 - HB2 ARG 79 - HB2 LYS 24 lone 1 75 - 1 - HB2 ARG 79 - HB3 LYS 24 lone 1 75 - 1 - HB2 ARG 30 - HB2 LYS 24 lone 1 72 - 1 - HB2 ARG 30 - HB3 LYS 24 lone 1 72 - 1 - Peak 3255 from cnoeabs.peaks (1.67, 1.96, 32.28 ppm; 2.72 A): 4 out of 64 assignments used, quality = 1.00: * HD2 LYS 73 + HB3 LYS 73 OK 84 100 - 84 - 3.6=43, 3277/2.9=8...(48) HD3 LYS 73 + HB3 LYS 73 OK 84 100 - 84 - 3.6=43, 3277/2.9=8...(48) HD2 LYS 73 + HB2 LYS 73 OK 84 100 - 84 - 3.6=43, 3277/2.9=8...(48) HD3 LYS 73 + HB2 LYS 73 OK 84 100 - 84 - 3.6=43, 3277/2.9=8...(48) HD2 LYS 73 - HB3 LYS 24 OK 21 75 - 28 - 3285=2, 3.0/3274=1...(5) HD2 LYS 73 - HB2 LYS 24 OK 21 75 - 28 - 3285=2, 3.0/3274=1...(5) HD3 LYS 73 - HB2 LYS 24 OK 20 75 - 28 - 3296=2, 3296/1.8=1...(5) HD3 LYS 73 - HB3 LYS 24 OK 20 75 - 28 - 3296=2, 3296/1.8=1...(5) HD2 LYS 47 - HB3 LYS 73 OK 18 84 - 21 - 3.0/2170=1, 3277/2.9=1 HD2 LYS 47 - HB2 LYS 73 OK 17 83 - 21 - 3.0/2170=1, 3277/2.9=1 HD3 LYS 47 - HB3 LYS 73 OK 17 81 - 21 - 3.0/2170=1, 3277/2.9=1 HD3 LYS 47 - HB2 LYS 73 OK 17 80 - 21 - 3.0/2170=1, 3277/2.9=1 HD2 LYS 47 - HB3 LYS 24 OK 12 56 - 22 - 3.0/2170=2, ~2170=1, ~12306=1 HD2 LYS 47 - HB2 LYS 24 OK 12 56 - 22 - 3.0/2170=2, ~2170=1, ~12306=1 HD3 LYS 47 - HB2 LYS 24 OK 11 53 - 21 - 3.0/2170=2, ~2170=1, ~12306=1 HD3 LYS 47 - HB3 LYS 24 OK 11 53 - 21 - 3.0/2170=2, ~2170=1, ~12306=1 HD2 LYS 20 - HB3 LYS 73 lone 4 92 - 4 - HB3 ARG 91 - HB3 LYS 73 lone 4 77 - 4 - HD2 LYS 20 - HB2 LYS 73 lone 4 91 - 4 - HB3 ARG 91 - HB2 LYS 73 lone 4 77 - 4 - HB ILE 52 - HB3 LYS 73 lone 3 100 - 4 - HB ILE 52 - HB2 LYS 73 lone 3 100 - 3 - HG3 LYS 20 - HB3 LYS 73 lone 3 97 - 3 - HG3 LYS 20 - HB2 LYS 73 lone 3 97 - 3 - HD3 LYS 20 - HB3 LYS 73 lone 3 97 - 3 - HD3 LYS 20 - HB2 LYS 73 lone 3 97 - 3 - HB3 ARG 79 - HB3 LYS 73 lone 3 84 - 3 - HB3 ARG 79 - HB2 LYS 73 lone 3 83 - 3 - HB3 LYS 40 - HB3 LYS 73 lone 2 73 - 2 - HB3 LYS 40 - HB2 LYS 73 lone 2 73 - 2 - HD2 LYS 39 - HB3 LYS 73 lone 2 84 - 2 - HD2 LYS 39 - HB2 LYS 73 lone 2 83 - 2 - HD2 LYS 68 - HB3 LYS 73 lone 1 77 - 1 - HD2 LYS 68 - HB2 LYS 73 lone 1 77 - 1 - HD3 LYS 68 - HB3 LYS 73 lone 1 73 - 1 - HD3 LYS 68 - HB2 LYS 73 lone 1 73 - 1 - HG3 LYS 20 - HB2 LYS 24 lone 1 69 - 1 - HG3 LYS 20 - HB3 LYS 24 lone 1 69 - 1 - HB3 ARG 91 - HB2 LYS 24 lone 1 51 - 2 - HB3 ARG 91 - HB3 LYS 24 lone 1 51 - 2 - HB ILE 52 - HB3 LYS 24 lone 1 74 - 1 - HB ILE 52 - HB2 LYS 24 lone 1 74 - 1 - HD3 LYS 20 - HB3 LYS 24 lone 1 69 - 1 - HD3 LYS 20 - HB2 LYS 24 lone 1 69 - 1 - HD2 LYS 20 - HB2 LYS 24 lone 1 63 - 1 - HD2 LYS 20 - HB3 LYS 24 lone 1 63 - 1 - HB3 LEU 6 - HB3 LYS 73 lone 1 61 - 1 - HB3 LEU 6 - HB2 LYS 73 lone 1 61 - 1 - HB3 LYS 53 - HB3 LYS 73 lone 0 65 - 1 - HB3 LYS 53 - HB2 LYS 73 lone 0 65 - 1 - HB3 ARG 79 - HB2 LYS 24 lone 0 56 - 1 - HB3 ARG 79 - HB3 LYS 24 lone 0 56 - 1 - HD2 LYS 39 - HB3 LYS 24 lone 0 56 - 0 - HD2 LYS 39 - HB2 LYS 24 lone 0 56 - 0 - HB3 LEU 6 - HB2 LYS 24 lone 0 39 - 1 - HB3 LEU 6 - HB3 LYS 24 lone 0 39 - 1 - HD2 LYS 68 - HB3 LYS 24 lone 0 51 - 0 - HD2 LYS 68 - HB2 LYS 24 lone 0 51 - 0 - HB3 LYS 40 - HB3 LYS 24 lone 0 48 - 0 - HB3 LYS 40 - HB2 LYS 24 lone 0 48 - 0 - HD3 LYS 68 - HB2 LYS 24 lone 0 48 - 0 - HD3 LYS 68 - HB3 LYS 24 lone 0 48 - 0 - HB3 LYS 53 - HB2 LYS 24 lone 0 42 - 0 - HB3 LYS 53 - HB3 LYS 24 lone 0 42 - 0 - Peak 3256 from cnoeabs.peaks (1.67, 1.96, 32.28 ppm; 2.81 A): 4 out of 64 assignments used, quality = 1.00: * HD3 LYS 73 + HB3 LYS 73 OK 87 100 - 87 - 3.6=48, 3277/2.9=8...(49) HD3 LYS 73 + HB2 LYS 73 OK 86 100 - 87 - 3.6=48, 3277/2.9=8...(49) HD2 LYS 73 + HB3 LYS 73 OK 86 100 - 87 - 3.6=48, 3277/2.9=8...(48) HD2 LYS 73 + HB2 LYS 73 OK 86 100 - 87 - 3.6=48, 3277/2.9=8...(48) HD3 LYS 73 - HB2 LYS 24 OK 22 75 - 30 - 3296=2, 3.0/3274=2...(6) HD3 LYS 73 - HB3 LYS 24 OK 22 75 - 30 - 3296=2, 3.0/3274=2...(6) HD2 LYS 73 - HB2 LYS 24 OK 22 75 - 30 - 3285=2, 3.0/3274=2...(6) HD2 LYS 73 - HB3 LYS 24 OK 22 75 - 30 - 3285=2, 3.0/3274=2...(6) HD2 LYS 47 - HB3 LYS 73 OK 17 77 - 22 - 3.0/2170=1, 3277/2.9=1 HD2 LYS 47 - HB2 LYS 73 OK 17 77 - 22 - 3.0/2170=1, 3277/2.9=1 HD3 LYS 47 - HB3 LYS 73 OK 16 73 - 22 - 3.0/2170=1, 3277/2.9=1 HD3 LYS 47 - HB2 LYS 73 OK 16 73 - 22 - 3.0/2170=1, 3277/2.9=1 HD2 LYS 47 - HB2 LYS 24 OK 12 51 - 23 - 3.0/2170=2, ~2170=1, ~12306=1 HD2 LYS 47 - HB3 LYS 24 OK 12 51 - 23 - 3.0/2170=2, ~2170=1, ~12306=1 HD3 LYS 47 - HB2 LYS 24 OK 11 48 - 23 - 3.0/2170=2, ~2170=1...(4) HD3 LYS 47 - HB3 LYS 24 OK 11 48 - 23 - 3.0/2170=2, ~2170=1...(4) HB ILE 52 - HB3 LYS 73 lone 4 99 - 4 - HB ILE 52 - HB2 LYS 73 lone 4 99 - 4 - HD2 LYS 20 - HB3 LYS 73 lone 4 87 - 4 - HD2 LYS 20 - HB2 LYS 73 lone 4 86 - 4 - HG3 LYS 20 - HB3 LYS 73 lone 3 94 - 4 - HG3 LYS 20 - HB2 LYS 73 lone 3 94 - 4 - HD3 LYS 20 - HB3 LYS 73 lone 3 94 - 3 - HD3 LYS 20 - HB2 LYS 73 lone 3 94 - 3 - HB3 ARG 91 - HB3 LYS 73 lone 3 70 - 5 - HB3 ARG 79 - HB3 LYS 73 lone 3 90 - 4 - HB3 ARG 91 - HB2 LYS 73 lone 3 69 - 5 - HB3 ARG 79 - HB2 LYS 73 lone 3 89 - 4 - HD2 LYS 39 - HB3 LYS 73 lone 2 90 - 2 - HD2 LYS 39 - HB2 LYS 73 lone 2 89 - 2 - HB3 LYS 40 - HB3 LYS 73 lone 2 65 - 2 - HB3 LYS 40 - HB2 LYS 73 lone 2 65 - 2 - HB2 LYS 40 - HB3 LYS 73 lone 2 61 - 3 - HB2 LYS 40 - HB2 LYS 73 lone 2 61 - 3 - HD2 LYS 68 - HB3 LYS 73 lone 1 84 - 2 - HD2 LYS 68 - HB2 LYS 73 lone 1 83 - 2 - HD3 LYS 68 - HB3 LYS 73 lone 1 81 - 2 - HD3 LYS 68 - HB2 LYS 73 lone 1 80 - 2 - HB ILE 52 - HB2 LYS 24 lone 1 72 - 1 - HB ILE 52 - HB3 LYS 24 lone 1 72 - 1 - HG3 LYS 20 - HB3 LYS 24 lone 1 66 - 1 - HG3 LYS 20 - HB2 LYS 24 lone 1 66 - 1 - HB3 ARG 91 - HB2 LYS 24 lone 1 45 - 2 - HB3 ARG 91 - HB3 LYS 24 lone 1 45 - 2 - HB3 LEU 6 - HB3 LYS 73 lone 1 70 - 1 - HB3 LEU 6 - HB2 LYS 73 lone 1 69 - 1 - HD3 LYS 20 - HB3 LYS 24 lone 1 66 - 1 - HD3 LYS 20 - HB2 LYS 24 lone 1 66 - 1 - HD2 LYS 20 - HB3 LYS 24 lone 1 59 - 1 - HD2 LYS 20 - HB2 LYS 24 lone 1 59 - 1 - HB3 ARG 79 - HB3 LYS 24 lone 0 61 - 1 - HB3 ARG 79 - HB2 LYS 24 lone 0 61 - 1 - HD2 LYS 39 - HB3 LYS 24 lone 0 61 - 1 - HD2 LYS 39 - HB2 LYS 24 lone 0 61 - 1 - HB3 LEU 6 - HB2 LYS 24 lone 0 45 - 1 - HB3 LEU 6 - HB3 LYS 24 lone 0 45 - 1 - HD2 LYS 68 - HB3 LYS 24 lone 0 56 - 0 - HD2 LYS 68 - HB2 LYS 24 lone 0 56 - 0 - HD3 LYS 68 - HB3 LYS 24 lone 0 53 - 0 - HD3 LYS 68 - HB2 LYS 24 lone 0 53 - 0 - HB2 LYS 40 - HB3 LYS 24 lone 0 39 - 1 - HB2 LYS 40 - HB2 LYS 24 lone 0 39 - 1 - HB3 LYS 40 - HB2 LYS 24 lone 0 42 - 0 - HB3 LYS 40 - HB3 LYS 24 lone 0 42 - 0 - Peak 3257 from cnoeabs.peaks (2.95, 1.96, 32.28 ppm; 3.87 A): 8 out of 44 assignments used, quality = 1.00: * HE2 LYS 73 + HB3 LYS 73 OK 93 100 - 94 - 4.9=50, 3320/2.9=11...(50) HE2 LYS 73 + HB2 LYS 73 OK 93 100 - 94 - 4.9=50, 3320/2.9=11...(50) HE3 LYS 73 + HB3 LYS 73 OK 93 99 - 94 - 4.9=50, 3320/2.9=12...(52) HE3 LYS 73 + HB2 LYS 73 OK 93 99 - 94 - 4.9=50, 3320/2.9=12...(52) HE2 LYS 24 + HB3 LYS 24 OK 53 61 - 87 - 4.9=48, 3.7/1098=9...(53) HE2 LYS 24 + HB2 LYS 24 OK 53 61 - 87 - 4.9=48, 3.7/1098=9...(53) HE3 LYS 24 + HB3 LYS 24 OK 53 61 - 87 - 4.9=48, 3.7/1098=9...(53) HE3 LYS 24 + HB2 LYS 24 OK 53 61 - 87 - 4.9=48, 3.7/1098=9...(53) HE3 LYS 13 - HB3 LYS 73 OK 34 97 - 35 - 3309/2.9=2, 3235/3.0=2...(10) HE3 LYS 13 - HB2 LYS 73 OK 34 97 - 35 - 3309/2.9=2, 3235/3.0=2...(10) HE2 LYS 13 - HB3 LYS 73 OK 33 94 - 35 - 3235/3.0=2, 3279/2.9=2...(13) HE2 LYS 13 - HB2 LYS 73 OK 33 94 - 35 - 3235/3.0=2, 3279/2.9=2...(13) HE2 LYS 24 - HB3 LYS 73 OK 32 90 - 36 - 3.7/1098=3, 3.7/1087=2...(12) HE3 LYS 24 - HB3 LYS 73 OK 32 90 - 36 - 3.7/1098=3, 3.7/1087=2...(12) HE2 LYS 24 - HB2 LYS 73 OK 32 89 - 36 - 3.7/1098=3, 3.7/1086=2...(12) HE3 LYS 24 - HB2 LYS 73 OK 32 89 - 36 - 3.7/1098=3, 3.7/1086=2...(12) HE2 LYS 73 - HB3 LYS 24 OK 30 75 - 40 - 3317=3, 1.8/3318=2...(21) HE2 LYS 73 - HB2 LYS 24 OK 30 75 - 40 - 3317=3, 1.8/3318=2...(21) HE3 LYS 73 - HB2 LYS 24 OK 30 72 - 41 - 3318=3, 3320/2.9=3...(26) HE3 LYS 73 - HB3 LYS 24 OK 30 72 - 41 - 3318=3, 3320/2.9=3...(26) HE3 LYS 13 - HB2 LYS 24 OK 28 69 - 40 - 1103/2.9=2, 3306=2...(18) HE3 LYS 13 - HB3 LYS 24 OK 28 69 - 40 - 1103/2.9=2, 3306=2...(18) HE2 LYS 13 - HB3 LYS 24 OK 26 66 - 40 - 1104/2.9=2, ~1104=2...(18) HE2 LYS 13 - HB2 LYS 24 OK 26 66 - 40 - 1104/2.9=2, ~1104=2...(18) HE3 LYS 12 - HB3 LYS 24 OK 16 53 - 30 - ~464=3, ~434=3...(8) HE3 LYS 12 - HB2 LYS 24 OK 16 53 - 30 - ~464=3, ~434=3...(8) HE3 LYS 90 - HB2 LYS 24 OK 11 51 - 21 - ~3965=3, 4006/2.9=3...(7) HE3 LYS 90 - HB3 LYS 24 OK 11 51 - 21 - ~3965=3, 4006/2.9=3...(7) HE3 LYS 12 - HB3 LYS 73 OK 10 81 - 13 - ~434=2, ~464=2 HE3 LYS 12 - HB2 LYS 73 OK 10 80 - 13 - ~434=2, ~464=2 HB2 ASN 51 - HB3 LYS 73 lone 9 99 - 9 - 9131/3.0=2, ~9134=1 HB2 ASN 51 - HB2 LYS 73 lone 9 99 - 9 - 9131/3.0=2, ~9134=1 HG2 MET 21 - HB3 LYS 73 lone 7 90 - 8 - 3.9/958=2, 12042/3.6=1 HG2 MET 21 - HB2 LYS 73 lone 7 89 - 8 - 3.9/958=2, 12042/3.6=1 HE3 LYS 90 - HB3 LYS 73 lone 4 77 - 5 - HE3 LYS 90 - HB2 LYS 73 lone 4 77 - 5 - HG2 MET 21 - HB3 LYS 24 lone 3 61 - 6 - 3.9/958=3 HG2 MET 21 - HB2 LYS 24 lone 3 61 - 6 - 3.9/958=3 HB2 ASN 51 - HB3 LYS 24 lone 2 72 - 3 - HB2 ASN 51 - HB2 LYS 24 lone 2 72 - 3 - HB3 PHE 45 - HB3 LYS 73 lone 1 73 - 2 - HB3 PHE 45 - HB2 LYS 73 lone 1 73 - 2 - HB3 PHE 45 - HB2 LYS 24 lone 1 48 - 2 - HB3 PHE 45 - HB3 LYS 24 lone 1 48 - 2 - Peak 3258 from cnoeabs.peaks (2.95, 1.96, 32.28 ppm; 3.87 A): 4 out of 44 assignments used, quality = 1.00: * HE3 LYS 73 + HB3 LYS 73 OK 94 100 - 94 - 4.9=50, 3320/2.9=13...(52) HE3 LYS 73 + HB2 LYS 73 OK 94 100 - 94 - 4.9=50, 3320/2.9=13...(52) HE2 LYS 73 + HB3 LYS 73 OK 93 99 - 94 - 4.9=50, 3320/2.9=11...(50) HE2 LYS 73 + HB2 LYS 73 OK 92 99 - 94 - 4.9=50, 3320/2.9=11...(50) HE2 LYS 24 - HB3 LYS 24 OK 41 48 - 87 - 4.9=48, 3.7/1098=9...(53) HE2 LYS 24 - HB2 LYS 24 OK 41 48 - 87 - 4.9=48, 3.7/1098=9...(53) HE3 LYS 24 - HB3 LYS 24 OK 41 48 - 87 - 4.9=48, 3.7/1098=9...(53) HE3 LYS 24 - HB2 LYS 24 OK 41 48 - 87 - 4.9=48, 3.7/1098=9...(53) HE3 LYS 73 - HB3 LYS 24 OK 31 75 - 41 - 3318=3, 3320/2.9=3...(25) HE3 LYS 73 - HB2 LYS 24 OK 31 75 - 41 - 3318=3, 3320/2.9=3...(25) HE3 LYS 13 - HB3 LYS 73 OK 30 87 - 35 - 3309/2.9=2, 3235/3.0=2...(10) HE3 LYS 13 - HB2 LYS 73 OK 30 86 - 35 - 3309/2.9=2, 3235/3.0=2...(10) HE2 LYS 73 - HB3 LYS 24 OK 29 72 - 40 - 3317=3, 1.8/3318=2...(20) HE2 LYS 73 - HB2 LYS 24 OK 29 72 - 40 - 3317=3, 1.8/3318=2...(20) HE2 LYS 13 - HB3 LYS 73 OK 28 81 - 35 - 3235/3.0=2, 3279/2.9=2...(13) HE2 LYS 13 - HB2 LYS 73 OK 28 80 - 34 - 3235/3.0=2, 3279/2.9=2...(13) HE2 LYS 24 - HB3 LYS 73 OK 26 73 - 36 - 3.7/1097=3, 3.7/1086=2...(10) HE3 LYS 24 - HB3 LYS 73 OK 26 73 - 36 - 3.7/1097=3, 3.7/1086=2...(10) HE3 LYS 24 - HB2 LYS 73 OK 26 73 - 36 - 3.7/1098=3, 3.7/1087=2...(10) HE2 LYS 24 - HB2 LYS 73 OK 26 73 - 36 - 3.7/1098=3, 3.7/1087=2...(10) HE3 LYS 13 - HB2 LYS 24 OK 23 59 - 39 - ~1104=2, ~1103=2, 3306=2...(18) HE3 LYS 13 - HB3 LYS 24 OK 23 59 - 39 - ~1104=2, ~1103=2, 3306=2...(18) HE2 LYS 13 - HB2 LYS 24 OK 21 53 - 39 - ~1104=2, ~1103=2...(18) HE2 LYS 13 - HB3 LYS 24 OK 21 53 - 39 - ~1104=2, ~1103=2...(18) HE3 LYS 90 - HB3 LYS 24 OK 14 63 - 23 - 4006/2.9=4, ~3965=3...(7) HE3 LYS 90 - HB2 LYS 24 OK 14 63 - 23 - 4006/2.9=4, ~3965=3...(7) HE3 LYS 12 - HB3 LYS 24 OK 11 39 - 29 - ~464=3, ~434=3, ~1466=2...(6) HE3 LYS 12 - HB2 LYS 24 OK 11 39 - 29 - ~464=3, ~434=3, ~1466=2...(6) HB2 ASN 51 - HB3 LYS 73 lone 9 100 - 9 - 9131/3.0=2, ~9134=1 HB2 ASN 51 - HB2 LYS 73 lone 9 100 - 9 - 9131/3.0=2, ~9134=1 HG2 MET 21 - HB3 LYS 73 lone 9 98 - 9 - 3.9/958=2, 12042/3.6=1 HG2 MET 21 - HB2 LYS 73 lone 9 98 - 9 - 3.9/958=2, 12042/3.6=1 HE3 LYS 12 - HB3 LYS 73 poor 8 61 - 12 - ~434=2, ~464=2 HE3 LYS 12 - HB2 LYS 73 poor 8 61 - 12 - ~434=2, ~464=2 HE3 LYS 90 - HB3 LYS 73 lone 5 92 - 6 - HE3 LYS 90 - HB2 LYS 73 lone 5 91 - 6 - HG2 MET 21 - HB2 LYS 24 lone 4 71 - 6 - 3.9/958=3 HG2 MET 21 - HB3 LYS 24 lone 4 71 - 6 - 3.9/958=3 HB2 ASN 51 - HB3 LYS 24 lone 2 75 - 3 - HB2 ASN 51 - HB2 LYS 24 lone 2 75 - 3 - HB2 ASN 10 - HB3 LYS 73 lone 1 65 - 1 - HB2 ASN 10 - HB2 LYS 73 lone 1 65 - 1 - HB2 ASN 10 - HB2 LYS 24 lone 0 42 - 1 - HB2 ASN 10 - HB3 LYS 24 lone 0 42 - 1 - Peak 3259 from cnoeabs.peaks (7.75, 1.96, 32.28 ppm; 3.36 A): 2 out of 16 assignments used, quality = 0.91: * H MET 74 + HB3 LYS 73 OK 71 100 - 71 - 4.6=38, 7213/4.1=13...(18) H MET 74 + HB2 LYS 73 OK 71 100 - 71 - 4.6=38, 7213/4.1=13...(18) H MET 74 - HB2 LYS 24 OK 18 75 - 23 - 7218=3, 7218/1.8=3...(9) H MET 74 - HB3 LYS 24 OK 18 75 - 23 - 7218=3, 7218/1.8=3...(9) H GLU 37 - HB3 LYS 73 OK 14 99 - 14 - 3237/3.0=3, 7213/4.1=3...(6) H GLU 37 - HB2 LYS 73 OK 14 99 - 14 - 3237/3.0=3, 7213/4.1=3...(6) H VAL 78 - HB3 LYS 73 OK 13 96 - 14 - 7213/4.1=3, 3237/3.0=3...(6) H VAL 78 - HB2 LYS 73 OK 13 95 - 14 - 7213/4.1=3, 3237/3.0=3...(6) H ASN 60 - HB3 LYS 73 lone 6 73 - 9 - 4.6/9582=2, 3237/3.0=1...(4) H ASN 60 - HB2 LYS 73 lone 6 73 - 9 - 4.6/9582=2, 3237/3.0=1...(4) H GLU 37 - HB3 LYS 24 lone 3 72 - 5 - H GLU 37 - HB2 LYS 24 lone 3 72 - 5 - H VAL 78 - HB3 LYS 24 lone 1 68 - 2 - H VAL 78 - HB2 LYS 24 lone 1 68 - 2 - H ASN 60 - HB3 LYS 24 lone 1 48 - 2 - H ASN 60 - HB2 LYS 24 lone 1 48 - 2 - Peak 3260 from cnoeabs.peaks (7.84, 1.49, 25.00 ppm; 3.92 A): 2 out of 12 assignments used, quality = 0.93: * H LYS 73 + HG2 LYS 73 OK 90 100 - 90 - 4.9=51, 7208/1.8=21...(22) H LYS 73 + HG2 LYS 47 OK 35 100 - 35 - 7207=7, 4.6/12182=5...(13) H LYS 73 - HG3 LYS 13 OK 22 92 - 24 - 7207=5, 3.0/3231=3...(9) H ASN 26 - HG2 LYS 73 OK 20 100 - 20 - 3271/1.8=5, 3227/4.1=3...(6) H ASN 26 - HG2 LYS 47 OK 15 100 - 15 - 8609/3.9=6, 6418/4.9=3 H LEU 3 - HG2 LYS 73 OK 13 100 - 13 - 3271/1.8=3, 3227/4.1=3...(6) H TYR 41 - HG2 LYS 47 OK 11 65 - 17 - ~10615=4, 3.0/10616=4...(5) H LEU 3 - HG3 LYS 13 lone 6 91 - 6 - H TYR 41 - HG2 LYS 73 lone 5 65 - 7 - 3.0/10616=1, 3271/1.8=1 H ASN 26 - HG3 LYS 13 lone 5 92 - 5 - H LEU 3 - HG2 LYS 47 lone 3 100 - 3 - H TYR 41 - HG3 LYS 13 lone 2 55 - 4 - 6642/4.8=1 Peak 3261 from cnoeabs.peaks (4.17, 1.49, 25.00 ppm; 3.19 A): 3 out of 21 assignments used, quality = 0.94: * HA LYS 73 + HG2 LYS 73 OK 85 100 - 85 - 4.1=48, 3232/1.8=14...(34) HA LYS 13 + HG3 LYS 13 OK 46 58 - 78 - 3.9=54, 2.9/6177=8...(21) HA LYS 73 + HG2 LYS 47 OK 23 100 - 23 - 3231=6, 3.0/3260=3...(10) HA GLN 72 - HG2 LYS 73 OK 19 70 - 27 - 3.6/3260=7, 3.0/12182=4...(12) HA LYS 73 - HG3 LYS 13 OK 15 92 - 16 - 3231=4, 3.0/7207=2, 3.6/7219=2 HA GLN 72 - HG2 LYS 47 OK 15 69 - 21 - 3.0/12182=4, ~10841=4...(8) HA LYS 13 - HG2 LYS 47 OK 14 69 - 21 - 2.9/6177=3, 3.9/522=3...(8) HA LYS 13 - HG2 LYS 73 OK 11 70 - 16 - 2.9/6177=2, 3272/1.8=2...(6) HA MET 1 - HG2 LYS 73 OK 10 81 - 13 - 3272/1.8=2, 7/2.9=1, 3/2.9=1 HA MET 1 - HG2 LYS 47 poor 10 80 - 12 - 7/3.0=3, 3/3.0=1, ~21=1, ~14=1 HB2 SER 59 - HG2 LYS 73 poor 9 84 - 10 - ~9582=2, 3272/1.8=2, ~9580=1 HA GLN 72 - HG3 LYS 13 lone 5 58 - 9 - 3.6/7207=2, 3.0/12182=1 HA MET 1 - HG3 LYS 13 lone 3 69 - 4 - HB2 SER 59 - HG3 LYS 13 lone 2 72 - 2 - HB3 SER 85 - HG2 LYS 47 lone 1 61 - 2 - HB2 SER 59 - HG2 LYS 47 lone 1 83 - 1 - HB3 SER 85 - HG3 LYS 13 lone 1 51 - 2 - HA GLU 98 - HG2 LYS 73 lone 1 73 - 1 - HB3 SER 85 - HG2 LYS 73 lone 1 61 - 1 - HA GLU 98 - HG2 LYS 47 lone 0 73 - 0 - HA GLU 98 - HG3 LYS 13 lone 0 62 - 0 - Peak 3262 from cnoeabs.peaks (1.96, 1.49, 25.00 ppm; 2.73 A): 3 out of 39 assignments used, quality = 1.00: HB3 LYS 73 + HG2 LYS 73 OK 93 100 - 93 - 2.9=81, 3.0/3231=8...(37) * HB2 LYS 73 + HG2 LYS 73 OK 93 100 - 93 - 2.9=81, 3.0/3231=8...(37) HB2 LYS 47 + HG2 LYS 47 OK 79 89 - 88 - 3.0=78, 3.0/2126=7...(21) HB2 LYS 24 - HG2 LYS 73 OK 26 99 - 26 - 3274/1.8=2, 2.9/3265=1...(10) HB3 LYS 24 - HG2 LYS 73 OK 26 99 - 26 - 3274/1.8=2, 2.9/3265=1...(10) HB2 LYS 73 - HG2 LYS 47 OK 25 100 - 25 - 3.0/3231=2, 2.9/3275=2...(9) HB3 LYS 73 - HG2 LYS 47 OK 25 100 - 25 - 3.0/3231=2, 2.9/3275=2...(9) HB2 LYS 24 - HG2 LYS 47 OK 24 99 - 25 - 2170/1.8=2, ~2170=2...(8) HB3 LYS 24 - HG2 LYS 47 OK 24 99 - 25 - 2170/1.8=2, ~2170=2...(8) HB2 LYS 47 - HG3 LYS 13 OK 22 78 - 29 - 3.0/2172=3, 3.0/2126=3...(11) HB2 LYS 47 - HG2 LYS 73 OK 19 90 - 21 - 3.0/2162=3, 1.8/2150=2...(6) HB3 ARG 46 - HG2 LYS 47 OK 15 100 - 15 - 4.7/6772=3, 2170/1.8=2...(6) HB3 MET 74 - HG2 LYS 73 OK 14 99 - 15 - 4.0/3270=2, 3274/1.8=1...(6) HB3 LYS 73 - HG3 LYS 13 OK 14 92 - 15 - 3.0/3231=2, 2.9/3275=1 HB2 LYS 73 - HG3 LYS 13 OK 14 92 - 15 - 3.0/3231=2, 2.9/3275=1 HB2 LYS 24 - HG3 LYS 13 OK 13 89 - 15 - HB3 LYS 24 - HG3 LYS 13 OK 13 89 - 15 - HB2 ARG 46 - HG2 LYS 47 poor 9 69 - 13 - 4.7/6772=3, 2170/1.8=2...(4) HB2 MET 1 - HG2 LYS 47 poor 8 73 - 11 - 14/3.0=2, ~21=1 HB2 MET 1 - HG2 LYS 73 lone 7 73 - 9 - HB2 GLU 17 - HG2 LYS 73 lone 5 73 - 7 - 3.0/12182=1 HB3 MET 74 - HG2 LYS 47 lone 4 99 - 4 - QE MET 1 - HG2 LYS 47 lone 4 61 - 6 - HB3 MET 74 - HG3 LYS 13 lone 4 89 - 4 - 4.0/7219=1 HB3 ARG 46 - HG2 LYS 73 lone 3 100 - 3 - QE MET 1 - HG2 LYS 73 lone 3 61 - 5 - HB3 ARG 46 - HG3 LYS 13 lone 3 91 - 3 - 4.7/6772=1 HB2 GLU 17 - HG3 LYS 13 lone 2 62 - 4 - HB2 ARG 46 - HG2 LYS 73 lone 2 70 - 3 - HG3 GLU 88 - HG2 LYS 47 lone 2 80 - 2 - 4.2/3870=1 HG3 GLU 88 - HG2 LYS 73 lone 2 81 - 2 - HB2 GLU 17 - HG2 LYS 47 lone 2 73 - 2 - HB VAL 32 - HG2 LYS 73 lone 2 70 - 2 - HB2 ARG 46 - HG3 LYS 13 lone 1 58 - 2 - 4.7/6772=1 HB2 MET 1 - HG3 LYS 13 lone 1 62 - 2 - HG3 GLU 88 - HG3 LYS 13 lone 1 69 - 2 - 4.2/3870=1 HB VAL 32 - HG2 LYS 47 lone 1 69 - 1 - HB VAL 32 - HG3 LYS 13 lone 1 58 - 1 - QE MET 1 - HG3 LYS 13 lone 1 51 - 1 - Peak 3263 from cnoeabs.peaks (1.96, 1.49, 25.00 ppm; 2.73 A): 3 out of 36 assignments used, quality = 1.00: * HB3 LYS 73 + HG2 LYS 73 OK 93 100 - 93 - 2.9=81, 3.0/3231=8...(37) HB2 LYS 73 + HG2 LYS 73 OK 93 100 - 93 - 2.9=81, 3.0/3231=8...(37) HB2 LYS 47 + HG2 LYS 47 OK 76 86 - 88 - 3.0=78, 3.0/2126=7...(21) HB2 LYS 24 - HG2 LYS 73 OK 25 98 - 26 - 3274/1.8=2, 2.9/3265=1...(10) HB3 LYS 24 - HG2 LYS 73 OK 25 98 - 26 - 3274/1.8=2, 2.9/3265=1...(10) HB2 LYS 73 - HG2 LYS 47 OK 25 100 - 25 - 3.0/3231=2, 2.9/3275=2...(9) HB3 LYS 73 - HG2 LYS 47 OK 25 100 - 25 - 3.0/3231=2, 2.9/3275=2...(9) HB2 LYS 24 - HG2 LYS 47 OK 24 98 - 24 - 2170/1.8=2, ~2170=2...(8) HB3 LYS 24 - HG2 LYS 47 OK 24 98 - 24 - 2170/1.8=2, ~2170=2...(8) HB2 LYS 47 - HG3 LYS 13 OK 21 75 - 28 - 3.0/2172=3, 3.0/2126=3...(11) HB2 LYS 47 - HG2 LYS 73 OK 18 87 - 21 - 3.0/2162=3, 1.8/2150=2...(6) HB3 ARG 46 - HG2 LYS 47 OK 15 100 - 15 - 4.7/6772=3, 2170/1.8=1...(6) HB3 MET 74 - HG2 LYS 73 OK 14 98 - 15 - 4.0/3270=2, 3274/1.8=1...(6) HB3 LYS 73 - HG3 LYS 13 OK 14 92 - 15 - 3.0/3231=2, 2.9/3275=1 HB2 LYS 73 - HG3 LYS 13 OK 14 92 - 15 - 3.0/3231=2, 2.9/3275=1 HB2 LYS 24 - HG3 LYS 13 OK 13 88 - 15 - HB3 LYS 24 - HG3 LYS 13 OK 13 88 - 15 - HB2 MET 1 - HG2 LYS 47 poor 9 77 - 11 - 14/3.0=2, ~21=1 HB2 ARG 46 - HG2 LYS 47 poor 8 65 - 13 - 4.7/6772=3, 2170/1.8=1...(4) HB2 MET 1 - HG2 LYS 73 lone 7 77 - 9 - HB2 GLU 17 - HG2 LYS 73 lone 5 77 - 7 - 3.0/12182=1 HB3 MET 74 - HG2 LYS 47 lone 4 98 - 4 - HB3 ARG 46 - HG2 LYS 73 lone 3 100 - 3 - HB3 MET 74 - HG3 LYS 13 lone 3 88 - 4 - 4.0/7219=1 HB3 ARG 46 - HG3 LYS 13 lone 3 91 - 3 - 4.7/6772=1 HB2 GLU 17 - HG3 LYS 13 lone 2 65 - 4 - HB2 ARG 46 - HG2 LYS 73 lone 2 65 - 3 - HG3 GLU 88 - HG2 LYS 47 lone 2 83 - 2 - 4.2/3870=1 HG3 GLU 88 - HG2 LYS 73 lone 2 84 - 2 - HB2 GLU 17 - HG2 LYS 47 lone 2 77 - 2 - HB VAL 32 - HG2 LYS 73 lone 2 73 - 2 - HB2 MET 1 - HG3 LYS 13 lone 1 65 - 2 - HG3 GLU 88 - HG3 LYS 13 lone 1 72 - 2 - 4.2/3870=1 HB2 ARG 46 - HG3 LYS 13 lone 1 55 - 2 - 4.7/6772=1 HB VAL 32 - HG2 LYS 47 lone 1 73 - 1 - HB VAL 32 - HG3 LYS 13 lone 1 62 - 1 - Peak 3264 from cnoeabs.peaks (1.49, 1.49, 25.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 LYS 73 + HG2 LYS 73 OK 100 100 - 100 HG2 LYS 47 + HG2 LYS 47 OK 100 100 - 100 HG3 LYS 13 + HG3 LYS 13 OK 89 89 - 100 Peak 3265 from cnoeabs.peaks (1.60, 1.49, 25.00 ppm; 2.40 A): 1 out of 39 assignments used, quality = 1.00: * HG3 LYS 73 + HG2 LYS 73 OK 100 100 - 100 - 1.8=100 HD3 LYS 94 - HG2 LYS 47 OK 27 100 - 28 - 4247/1.8=7, 4243/3.0=2...(9) HG3 LYS 73 - HG2 LYS 47 OK 20 100 - 20 - 3275=4, ~2172=1, 4.1/3231=1 HG3 LYS 12 - HG3 LYS 13 OK 17 90 - 19 - 3275=3, 1.8/532=2...(5) HG2 LYS 24 - HG2 LYS 73 OK 16 87 - 19 - 3232/4.1=1, ~1099=1...(5) HG2 LYS 24 - HG2 LYS 47 OK 12 86 - 14 - HG3 LYS 73 - HG3 LYS 13 OK 12 92 - 13 - 3275=2 HG3 LYS 12 - HG2 LYS 73 OK 10 99 - 10 - 3275=2 HG2 LYS 24 - HG3 LYS 13 poor 10 75 - 13 - HD2 LYS 66 - HG2 LYS 73 lone 9 100 - 9 - 2935=1 HD2 LYS 66 - HG3 LYS 13 lone 6 91 - 7 - HG LEU 27 - HG2 LYS 73 lone 4 100 - 4 - HB2 ARG 79 - HG2 LYS 73 lone 4 100 - 4 - HD3 LYS 94 - HG2 LYS 73 lone 3 100 - 3 - HD3 LYS 94 - HG3 LYS 13 lone 3 92 - 3 - HG3 LYS 12 - HG2 LYS 47 lone 3 99 - 3 - HG3 LYS 90 - HG2 LYS 73 lone 3 81 - 4 - HD2 LYS 66 - HG2 LYS 47 lone 2 100 - 2 - HB3 LEU 29 - HG3 LYS 13 lone 2 91 - 2 - HB2 ARG 30 - HG2 LYS 73 lone 1 99 - 1 - HB3 LEU 29 - HG2 LYS 73 lone 1 100 - 1 - HG3 LYS 90 - HG3 LYS 13 lone 1 69 - 2 - HG3 LYS 90 - HG2 LYS 47 lone 1 80 - 1 - HG2 ARG 19 - HG2 LYS 47 lone 1 83 - 1 - HG LEU 27 - HG3 LYS 13 lone 1 92 - 1 - HG2 ARG 19 - HG2 LYS 73 lone 1 84 - 1 - HG LEU 27 - HG2 LYS 47 lone 1 100 - 1 - HG2 ARG 19 - HG3 LYS 13 lone 1 72 - 1 - HB2 ARG 30 - HG2 LYS 47 lone 1 99 - 1 - HB2 LEU 103 - HG2 LYS 73 lone 1 84 - 1 - HG LEU 103 - HG2 LYS 73 lone 0 73 - 1 - HB3 LEU 29 - HG2 LYS 47 lone 0 100 - 0 - HB2 ARG 30 - HG3 LYS 13 lone 0 89 - 0 - HB2 ARG 79 - HG2 LYS 47 lone 0 100 - 0 - HB2 ARG 79 - HG3 LYS 13 lone 0 91 - 0 - HB2 LEU 103 - HG2 LYS 47 lone 0 83 - 0 - HB2 LEU 103 - HG3 LYS 13 lone 0 72 - 0 - HG LEU 103 - HG2 LYS 47 lone 0 73 - 0 - HG LEU 103 - HG3 LYS 13 lone 0 62 - 0 - Peak 3266 from cnoeabs.peaks (1.67, 1.49, 25.00 ppm; 2.40 A): 4 out of 48 assignments used, quality = 0.99: * HD2 LYS 73 + HG2 LYS 73 OK 79 100 - 79 - 3.0=54, 3277/1.8=9...(16) HD3 LYS 73 + HG2 LYS 73 OK 78 100 - 79 - 3.0=54, 3277/1.8=9...(16) HD2 LYS 47 + HG2 LYS 47 OK 63 83 - 76 - 3.0=53, 2184/1.8=6...(16) HD3 LYS 47 + HG2 LYS 47 OK 61 80 - 76 - 3.0=53, 2184/1.8=6...(16) HB3 ARG 91 - HG2 LYS 47 OK 18 77 - 24 - 2.8/4046=2, 2.8/4055=2...(9) HD3 LYS 73 - HG2 LYS 47 OK 17 100 - 18 - 3297=2, 1.8/3286=2, 3.0/3275=1 HD2 LYS 73 - HG2 LYS 47 OK 17 100 - 17 - 3286=2, 1.8/3297=2, 3.0/3275=1 HD2 LYS 47 - HG2 LYS 73 OK 13 84 - 16 - 3.0/2162=2, 3277/1.8=1, 2183=1 HD3 LYS 47 - HG2 LYS 73 OK 13 81 - 16 - 3.0/2162=2, 3277/1.8=1, 2183=1 HD2 LYS 47 - HG3 LYS 13 OK 11 72 - 16 - 3.0/2172=2, 2183=1 HD3 LYS 20 - HG2 LYS 47 OK 10 97 - 10 - HD3 LYS 47 - HG3 LYS 13 poor 10 69 - 14 - 3.0/2172=2 HD2 LYS 20 - HG2 LYS 47 poor 9 91 - 10 - 2184/1.8=1 HG3 LYS 20 - HG2 LYS 47 lone 9 97 - 9 - HD2 LYS 73 - HG3 LYS 13 lone 9 92 - 9 - 3297=1 HD3 LYS 73 - HG3 LYS 13 lone 9 91 - 9 - 3297=1 HB3 ARG 91 - HG2 LYS 73 lone 4 77 - 5 - HB ILE 52 - HG2 LYS 73 lone 3 100 - 3 - HG3 LYS 20 - HG2 LYS 73 lone 3 97 - 3 - HD2 LYS 20 - HG2 LYS 73 lone 3 92 - 3 - HD3 LYS 20 - HG2 LYS 73 lone 3 97 - 2 - HB3 ARG 79 - HG2 LYS 73 lone 2 84 - 3 - HB3 ARG 91 - HG3 LYS 13 lone 2 65 - 3 - HB ILE 52 - HG2 LYS 47 lone 2 100 - 2 - HB3 LYS 40 - HG2 LYS 47 lone 2 73 - 2 - HD2 LYS 39 - HG3 LYS 13 lone 2 72 - 2 - HB3 LYS 40 - HG2 LYS 73 lone 1 73 - 2 - HD2 LYS 68 - HG2 LYS 73 lone 1 77 - 1 - HD2 LYS 39 - HG2 LYS 73 lone 1 84 - 1 - HD3 LYS 68 - HG2 LYS 73 lone 1 73 - 1 - HB3 LYS 53 - HG2 LYS 47 lone 1 65 - 1 - HD2 LYS 39 - HG2 LYS 47 lone 1 83 - 1 - HB ILE 52 - HG3 LYS 13 lone 1 91 - 1 - HG3 LYS 20 - HG3 LYS 13 lone 1 86 - 1 - HD3 LYS 20 - HG3 LYS 13 lone 0 86 - 1 - HD2 LYS 68 - HG2 LYS 47 lone 0 77 - 1 - HD2 LYS 20 - HG3 LYS 13 lone 0 80 - 1 - HD3 LYS 68 - HG2 LYS 47 lone 0 73 - 1 - HD2 LYS 68 - HG3 LYS 13 lone 0 65 - 1 - HB3 LEU 6 - HG2 LYS 73 lone 0 61 - 1 - HB3 LYS 40 - HG3 LYS 13 lone 0 62 - 1 - HD3 LYS 68 - HG3 LYS 13 lone 0 62 - 1 - HB3 LYS 53 - HG2 LYS 73 lone 0 65 - 0 - HB3 ARG 79 - HG2 LYS 47 lone 0 83 - 0 - HB3 ARG 79 - HG3 LYS 13 lone 0 72 - 0 - HB3 LEU 6 - HG3 LYS 13 lone 0 51 - 0 - HB3 LEU 6 - HG2 LYS 47 lone 0 61 - 0 - HB3 LYS 53 - HG3 LYS 13 lone 0 55 - 0 - Peak 3267 from cnoeabs.peaks (1.67, 1.49, 25.00 ppm; 2.40 A): 4 out of 48 assignments used, quality = 0.99: * HD3 LYS 73 + HG2 LYS 73 OK 78 100 - 79 - 3.0=54, 3277/1.8=9...(16) HD2 LYS 73 + HG2 LYS 73 OK 78 100 - 79 - 3.0=54, 3277/1.8=9...(16) HD2 LYS 47 + HG2 LYS 47 OK 58 77 - 75 - 3.0=53, 2184/1.8=5...(16) HD3 LYS 47 + HG2 LYS 47 OK 55 73 - 75 - 3.0=53, 2184/1.8=5...(16) HD3 LYS 73 - HG2 LYS 47 OK 17 100 - 17 - 3297=2, 1.8/3286=2, 3.0/3275=1 HD2 LYS 73 - HG2 LYS 47 OK 17 100 - 17 - 3286=2, 1.8/3297=2, 3.0/3275=1 HB3 ARG 91 - HG2 LYS 47 OK 16 69 - 24 - 2.8/4046=2, 2.8/4055=2...(9) HD2 LYS 47 - HG2 LYS 73 OK 12 77 - 16 - 3.0/2162=2, 3277/1.8=1 HD3 LYS 47 - HG2 LYS 73 OK 11 73 - 16 - 3.0/2162=2, 3277/1.8=1 HD2 LYS 47 - HG3 LYS 13 poor 10 65 - 15 - 3.0/2172=2 HD3 LYS 20 - HG2 LYS 47 poor 10 94 - 10 - HD3 LYS 73 - HG3 LYS 13 lone 9 92 - 9 - 3297=1 HD2 LYS 73 - HG3 LYS 13 lone 9 91 - 9 - 3297=1 HD2 LYS 20 - HG2 LYS 47 lone 9 86 - 10 - HD3 LYS 47 - HG3 LYS 13 poor 8 62 - 14 - 3.0/2172=2 HG3 LYS 20 - HG2 LYS 47 lone 8 94 - 9 - HB3 ARG 91 - HG2 LYS 73 lone 4 70 - 5 - HB ILE 52 - HG2 LYS 73 lone 3 99 - 3 - HB3 ARG 79 - HG2 LYS 73 lone 3 90 - 3 - HG3 LYS 20 - HG2 LYS 73 lone 2 94 - 3 - HD3 LYS 20 - HG2 LYS 73 lone 2 94 - 2 - HD2 LYS 20 - HG2 LYS 73 lone 2 87 - 3 - HD2 LYS 39 - HG3 LYS 13 lone 2 78 - 2 - HB3 ARG 91 - HG3 LYS 13 lone 2 58 - 3 - HB ILE 52 - HG2 LYS 47 lone 2 99 - 2 - HB3 LYS 40 - HG2 LYS 47 lone 1 65 - 2 - HB2 LYS 40 - HG2 LYS 47 lone 1 61 - 2 - HB3 LYS 40 - HG2 LYS 73 lone 1 65 - 2 - HD2 LYS 68 - HG2 LYS 73 lone 1 84 - 1 - HB2 LYS 40 - HG2 LYS 73 lone 1 61 - 2 - HD2 LYS 39 - HG2 LYS 73 lone 1 90 - 1 - HD3 LYS 68 - HG2 LYS 73 lone 1 81 - 1 - HD2 LYS 39 - HG2 LYS 47 lone 1 89 - 1 - HD2 LYS 68 - HG2 LYS 47 lone 1 83 - 1 - HB ILE 52 - HG3 LYS 13 lone 1 89 - 1 - HD3 LYS 68 - HG2 LYS 47 lone 0 80 - 1 - HG3 LYS 20 - HG3 LYS 13 lone 0 82 - 1 - HD3 LYS 20 - HG3 LYS 13 lone 0 82 - 1 - HB3 LEU 6 - HG2 LYS 73 lone 0 70 - 1 - HD2 LYS 68 - HG3 LYS 13 lone 0 72 - 1 - HD3 LYS 68 - HG3 LYS 13 lone 0 69 - 1 - HD2 LYS 20 - HG3 LYS 13 lone 0 75 - 1 - HB2 LYS 40 - HG3 LYS 13 lone 0 51 - 1 - HB3 LYS 40 - HG3 LYS 13 lone 0 55 - 1 - HB3 ARG 79 - HG2 LYS 47 lone 0 89 - 0 - HB3 LEU 6 - HG3 LYS 13 lone 0 58 - 0 - HB3 ARG 79 - HG3 LYS 13 lone 0 78 - 0 - HB3 LEU 6 - HG2 LYS 47 lone 0 69 - 0 - Peak 3268 from cnoeabs.peaks (2.95, 1.49, 25.00 ppm; 3.55 A): 4 out of 33 assignments used, quality = 1.00: * HE2 LYS 73 + HG2 LYS 73 OK 94 100 - 94 - 4.0=70, 3320/1.8=13...(38) HE3 LYS 73 + HG2 LYS 73 OK 93 99 - 94 - 4.0=70, 3320/1.8=14...(38) HE3 LYS 13 + HG3 LYS 13 OK 80 86 - 92 - 3.8=80, 576/1.8=5...(49) HE2 LYS 13 + HG3 LYS 13 OK 76 82 - 92 - 3.8=80, 576/1.8=5...(47) HE3 LYS 13 - HG2 LYS 47 OK 31 97 - 32 - 3.8/522=3, ~2177=2...(12) HE2 LYS 13 - HG2 LYS 47 OK 29 94 - 32 - 3.8/522=3, ~2177=2...(10) HE3 LYS 13 - HG2 LYS 73 OK 29 97 - 30 - 3309/1.8=2, 3308=2...(8) HE2 LYS 13 - HG2 LYS 73 OK 28 94 - 30 - 3279/1.8=2, 3.8/522=2...(8) HE2 LYS 24 - HG3 LYS 13 OK 27 78 - 35 - 526/1.8=3, ~526=2...(16) HE3 LYS 24 - HG3 LYS 13 OK 27 78 - 35 - 526/1.8=3, ~526=2...(16) HE3 LYS 24 - HG2 LYS 47 OK 27 89 - 30 - ~2177=2, ~2176=2...(8) HE2 LYS 24 - HG2 LYS 47 OK 27 89 - 30 - ~2177=2, ~2176=2...(8) HE2 LYS 24 - HG2 LYS 73 OK 24 90 - 27 - 3.7/3265=2, 3279/1.8=2...(4) HE3 LYS 24 - HG2 LYS 73 OK 24 90 - 27 - 3.7/3265=2, 3279/1.8=2...(4) HE3 LYS 73 - HG2 LYS 47 OK 22 99 - 23 - 3319=3, 3.0/3297=2...(5) HE2 LYS 73 - HG2 LYS 47 OK 22 100 - 22 - 3319=3, 1.8/3319=2...(5) HE3 LYS 12 - HG3 LYS 13 OK 22 69 - 32 - ~463=4, 526/1.8=3...(16) HE3 LYS 73 - HG3 LYS 13 OK 16 89 - 17 - 3319=2, 1.8/3319=1...(6) HE2 LYS 73 - HG3 LYS 13 OK 14 92 - 15 - 3319=2, 1.8/3319=2...(6) HE3 LYS 12 - HG2 LYS 73 poor 10 81 - 12 - ~434=2, ~464=2, 4.0/3265=1 HB2 ASN 51 - HG2 LYS 73 lone 8 99 - 8 - ~10634=1, 9131/4.1=1 HG2 MET 21 - HG2 LYS 73 lone 6 90 - 6 - 12042/3.0=1, 12042/3.0=1 HB3 PHE 45 - HG2 LYS 47 lone 4 73 - 6 - HE3 LYS 90 - HG2 LYS 73 lone 4 77 - 5 - HE3 LYS 12 - HG2 LYS 47 lone 4 80 - 4 - HB2 ASN 51 - HG3 LYS 13 lone 4 89 - 4 - 9131/3.9=1 HB2 ASN 51 - HG2 LYS 47 lone 3 99 - 3 - HG2 MET 21 - HG2 LYS 47 lone 3 89 - 3 - HE3 LYS 90 - HG3 LYS 13 lone 2 65 - 3 - HG2 MET 21 - HG3 LYS 13 lone 1 78 - 2 - HE3 LYS 90 - HG2 LYS 47 lone 1 77 - 2 - HB3 PHE 45 - HG3 LYS 13 lone 1 62 - 2 - HB3 PHE 45 - HG2 LYS 73 lone 1 73 - 1 - Peak 3269 from cnoeabs.peaks (2.95, 1.49, 25.00 ppm; 3.55 A): 4 out of 33 assignments used, quality = 1.00: * HE3 LYS 73 + HG2 LYS 73 OK 94 100 - 94 - 4.0=70, 3320/1.8=15...(38) HE2 LYS 73 + HG2 LYS 73 OK 93 99 - 94 - 4.0=70, 3320/1.8=13...(38) HE3 LYS 13 + HG3 LYS 13 OK 69 75 - 92 - 3.8=80, ~524=5...(49) HE2 LYS 13 + HG3 LYS 13 OK 63 69 - 92 - 3.8=80, 1.8/3308=5...(47) HE3 LYS 13 - HG2 LYS 47 OK 27 86 - 31 - 3.8/522=3, ~2177=2...(11) HE3 LYS 13 - HG2 LYS 73 OK 26 87 - 30 - 3309/1.8=2, 3308=2...(8) HE2 LYS 13 - HG2 LYS 47 OK 24 80 - 31 - 3.8/522=3, ~2177=2...(9) HE2 LYS 13 - HG2 LYS 73 OK 24 81 - 30 - 3279/1.8=2, 3.8/522=2...(8) HE3 LYS 73 - HG2 LYS 47 OK 22 100 - 23 - 3319=3, 3.0/3297=2...(5) HE2 LYS 73 - HG2 LYS 47 OK 22 99 - 22 - 3319=3, 1.8/3319=2...(5) HE3 LYS 24 - HG2 LYS 47 OK 21 73 - 29 - ~2177=2, ~2176=2...(6) HE2 LYS 24 - HG2 LYS 47 OK 21 73 - 29 - ~2177=2, ~2176=2...(6) HE2 LYS 24 - HG3 LYS 13 OK 21 62 - 34 - 526/1.8=2, ~526=2...(13) HE3 LYS 24 - HG3 LYS 13 OK 21 62 - 34 - 526/1.8=2, ~526=2...(13) HE2 LYS 24 - HG2 LYS 73 OK 19 73 - 26 - 3.7/3265=2, 3279/1.8=2...(4) HE3 LYS 24 - HG2 LYS 73 OK 19 73 - 26 - 3.7/3265=2, 3279/1.8=2...(4) HE3 LYS 73 - HG3 LYS 13 OK 16 92 - 17 - 3319=2, 1.8/3319=1...(5) HE3 LYS 12 - HG3 LYS 13 OK 16 51 - 31 - ~463=4, 526/1.8=2...(15) HE2 LYS 73 - HG3 LYS 13 OK 13 89 - 15 - 3319=2, 1.8/3319=2...(5) HB2 ASN 51 - HG2 LYS 73 lone 8 100 - 8 - ~10634=1, 9131/4.1=1 HE3 LYS 12 - HG2 LYS 73 poor 7 61 - 12 - ~434=2, ~464=2, 4.0/3265=1 HG2 MET 21 - HG2 LYS 73 lone 7 98 - 7 - 12042/3.0=1, 12042/3.0=1 HE3 LYS 90 - HG2 LYS 73 lone 5 92 - 5 - HB2 ASN 51 - HG3 LYS 13 lone 4 92 - 4 - 9131/3.9=1 HG2 MET 21 - HG2 LYS 47 lone 3 98 - 3 - HB2 ASN 51 - HG2 LYS 47 lone 3 100 - 3 - HE3 LYS 90 - HG3 LYS 13 lone 3 80 - 3 - HE3 LYS 12 - HG2 LYS 47 lone 2 61 - 4 - HB2 ASN 10 - HG2 LYS 47 lone 2 65 - 4 - HE3 LYS 90 - HG2 LYS 47 lone 2 91 - 2 - HG2 MET 21 - HG3 LYS 13 lone 2 88 - 2 - HB2 ASN 10 - HG2 LYS 73 lone 1 65 - 1 - HB2 ASN 10 - HG3 LYS 13 lone 0 55 - 1 - Peak 3270 from cnoeabs.peaks (7.75, 1.49, 25.00 ppm; 4.87 A): 7 out of 12 assignments used, quality = 0.95: * H MET 74 + HG2 LYS 73 OK 75 100 - 75 - 7213/4.9=21, 3.6/3231=20...(14) H MET 74 + HG3 LYS 13 OK 32 92 - 35 - 9590/1.8=7, 7219=7...(8) H GLU 37 + HG2 LYS 73 OK 27 99 - 28 - 3281/1.8=6, 3237/4.1=5...(7) H MET 74 + HG2 LYS 47 OK 27 100 - 27 - 7219=5, 3.6/3231=5...(8) H VAL 78 + HG2 LYS 73 OK 24 96 - 25 - 3281/1.8=5, 7213/4.9=5...(7) H GLU 37 + HG2 LYS 47 OK 12 99 - 12 - 6572/3.0=2, 8828/3.0=1...(4) H ASN 60 + HG2 LYS 73 OK 12 73 - 16 - 3281/1.8=3, 3237/4.1=2...(9) H VAL 78 - HG3 LYS 13 poor 9 84 - 10 - 9683/1.8=3, 10848/3.9=1 H GLU 37 - HG3 LYS 13 lone 8 89 - 9 - 6577/4.8=3 H ASN 60 - HG3 LYS 13 lone 5 62 - 8 - 9415=2, 6969/3.9=1 H ASN 60 - HG2 LYS 47 lone 5 73 - 6 - 9415=1 H VAL 78 - HG2 LYS 47 lone 4 95 - 4 - Peak 3271 from cnoeabs.peaks (7.84, 1.60, 25.00 ppm; 3.94 A): 4 out of 8 assignments used, quality = 0.94: * H LYS 73 + HG3 LYS 73 OK 90 100 - 90 - 4.9=51, 3.0/3232=16...(22) H ASN 26 + HG3 LYS 73 OK 24 100 - 24 - 8618=5, 3260/1.8=3...(10) H LYS 73 + HG3 LYS 12 OK 18 96 - 19 - 7208=4, 3.0/3232=3...(4) H LEU 3 + HG3 LYS 73 OK 12 100 - 12 - 3227/4.1=3, 3260/1.8=2...(6) H ASN 26 - HG3 LYS 12 poor 10 96 - 10 - 8618=2, 4.6/6442=1...(4) H LEU 3 - HG3 LYS 12 lone 5 95 - 5 - H TYR 41 - HG3 LYS 73 lone 5 65 - 7 - ~10616=1 H TYR 41 - HG3 LYS 12 lone 3 58 - 5 - 3.6/427=2 Peak 3272 from cnoeabs.peaks (4.17, 1.60, 25.00 ppm; 3.71 A): 1 out of 14 assignments used, quality = 0.95: * HA LYS 73 + HG3 LYS 73 OK 95 100 - 95 - 4.1=75, 3231/1.8=20...(30) HA LYS 13 - HG3 LYS 12 OK 32 62 - 51 - ~425=7, 2.9/436=6...(21) HA GLN 72 - HG3 LYS 73 OK 23 70 - 34 - 3.6/7208=13, 3.0/12183=4...(10) HA LYS 73 - HG3 LYS 12 OK 16 96 - 16 - 3232=4, 3.0/3271=3...(6) HA MET 1 - HG3 LYS 73 OK 14 81 - 17 - 7/2.9=2, 3/2.9=2...(7) HA LYS 13 - HG3 LYS 73 OK 13 70 - 19 - 2.9/6168=2, 3261/1.8=2...(6) HB2 SER 59 - HG3 LYS 73 OK 12 84 - 14 - ~9582=2, 1.8/9581=2...(6) HA GLN 72 - HG3 LYS 12 lone 4 62 - 7 - 3.6/3271=2 HA MET 1 - HG3 LYS 12 lone 2 73 - 2 - HB3 SER 85 - HG3 LYS 12 lone 1 55 - 3 - HB2 SER 59 - HG3 LYS 12 lone 1 76 - 1 - HA GLU 98 - HG3 LYS 73 lone 1 73 - 1 - HB3 SER 85 - HG3 LYS 73 lone 1 61 - 2 - HA GLU 98 - HG3 LYS 12 lone 0 66 - 1 - Peak 3273 from cnoeabs.peaks (1.96, 1.60, 25.00 ppm; 2.91 A): 2 out of 26 assignments used, quality = 1.00: * HB2 LYS 73 + HG3 LYS 73 OK 99 100 - 99 - 2.9=98, 3.0/3232=9...(37) HB3 LYS 73 + HG3 LYS 73 OK 99 100 - 99 - 2.9=98, 3.0/3232=9...(37) HB2 LYS 24 - HG3 LYS 73 OK 29 99 - 30 - 3243=2, 2.9/1099=2...(8) HB3 LYS 24 - HG3 LYS 73 OK 29 99 - 30 - 3243=2, 2.9/1099=2...(8) HB2 LYS 47 - HG3 LYS 73 OK 21 90 - 24 - 3.0/3275=2, 1.8/4192=2...(7) HB3 MET 74 - HG3 LYS 73 OK 18 99 - 18 - 4.0/3281=4, ~3337=1...(5) HB3 LYS 24 - HG3 LYS 12 OK 17 93 - 19 - 2.9/1099=2, 3.0/1053=1...(4) HB2 LYS 24 - HG3 LYS 12 OK 17 93 - 19 - 2.9/1099=2, 3.0/1053=1...(4) HB3 LYS 73 - HG3 LYS 12 OK 13 96 - 13 - 3.0/3232=1, 4.1/3271=1...(4) HB2 LYS 73 - HG3 LYS 12 OK 13 96 - 13 - 3.0/3232=1, 4.1/3271=1...(4) HB2 MET 1 - HG3 LYS 73 poor 9 73 - 13 - 3.0/3272=1, 14/2.9=1 HB2 GLU 17 - HG3 LYS 73 lone 6 73 - 8 - QE MET 1 - HG3 LYS 73 lone 4 61 - 6 - HB3 MET 74 - HG3 LYS 12 lone 3 93 - 4 - 4.0/3281=1 HB3 ARG 46 - HG3 LYS 73 lone 3 100 - 3 - HB2 LYS 47 - HG3 LYS 12 lone 3 82 - 3 - HB3 ARG 46 - HG3 LYS 12 lone 2 95 - 2 - HG3 GLU 88 - HG3 LYS 73 lone 2 81 - 2 - HB2 ARG 46 - HG3 LYS 73 lone 2 70 - 2 - HB VAL 32 - HG3 LYS 73 lone 2 70 - 2 - HB2 GLU 17 - HG3 LYS 12 lone 2 66 - 3 - HB2 ARG 46 - HG3 LYS 12 lone 1 62 - 2 - HG3 GLU 88 - HG3 LYS 12 lone 1 73 - 1 - HB VAL 32 - HG3 LYS 12 lone 1 62 - 1 - HB2 MET 1 - HG3 LYS 12 lone 1 66 - 1 - QE MET 1 - HG3 LYS 12 lone 0 55 - 1 - Peak 3274 from cnoeabs.peaks (1.96, 1.60, 25.00 ppm; 2.91 A): 2 out of 24 assignments used, quality = 1.00: * HB3 LYS 73 + HG3 LYS 73 OK 99 100 - 99 - 2.9=98, 3.0/3232=9...(37) HB2 LYS 73 + HG3 LYS 73 OK 99 100 - 99 - 2.9=98, 3.0/3232=9...(37) HB3 LYS 24 - HG3 LYS 73 OK 29 98 - 30 - 3243=2, 2.9/1099=2...(8) HB2 LYS 24 - HG3 LYS 73 OK 29 98 - 30 - 3243=2, 2.9/1099=2...(8) HB2 LYS 47 - HG3 LYS 73 OK 21 87 - 24 - 3.0/3275=2, 1.8/4192=2...(7) HB3 MET 74 - HG3 LYS 73 OK 18 98 - 18 - 4.0/3281=4, ~3337=1...(5) HB2 LYS 24 - HG3 LYS 12 OK 17 92 - 19 - 2.9/1099=2, 3.0/1053=1...(4) HB3 LYS 24 - HG3 LYS 12 OK 17 92 - 19 - 2.9/1099=2, 3.0/1053=1...(4) HB3 LYS 73 - HG3 LYS 12 OK 13 96 - 13 - 3.0/3232=1, 4.1/3271=1...(4) HB2 LYS 73 - HG3 LYS 12 OK 13 96 - 13 - 3.0/3232=1, 4.1/3271=1...(4) HB2 MET 1 - HG3 LYS 73 poor 10 77 - 13 - 14/2.9=1, 3.0/3272=1 HB2 GLU 17 - HG3 LYS 73 lone 6 77 - 8 - HB3 MET 74 - HG3 LYS 12 lone 3 92 - 3 - 4.0/3281=1 HB3 ARG 46 - HG3 LYS 73 lone 3 100 - 3 - HB2 LYS 47 - HG3 LYS 12 lone 3 79 - 3 - HB3 ARG 46 - HG3 LYS 12 lone 2 95 - 2 - HG3 GLU 88 - HG3 LYS 73 lone 2 84 - 2 - HB VAL 32 - HG3 LYS 73 lone 2 73 - 2 - HB2 GLU 17 - HG3 LYS 12 lone 2 70 - 3 - HB2 ARG 46 - HG3 LYS 73 lone 2 65 - 2 - HB2 ARG 46 - HG3 LYS 12 lone 1 58 - 2 - HG3 GLU 88 - HG3 LYS 12 lone 1 76 - 1 - HB VAL 32 - HG3 LYS 12 lone 1 66 - 1 - HB2 MET 1 - HG3 LYS 12 lone 1 70 - 1 - Peak 3275 from cnoeabs.peaks (1.49, 1.60, 25.00 ppm; 2.40 A): 1 out of 22 assignments used, quality = 1.00: * HG2 LYS 73 + HG3 LYS 73 OK 100 100 - 100 - 1.8=100 HG2 LYS 66 - HG3 LYS 12 OK 24 96 - 25 - 2925=4, 1.8/2925=2...(7) HG3 LYS 66 - HG3 LYS 12 OK 24 96 - 25 - 2925=4, 2.9/2947=2...(7) HG2 LYS 47 - HG3 LYS 73 OK 21 100 - 21 - 3265=4, ~2162=2, ~2172=1 HG3 LYS 13 - HG3 LYS 12 OK 18 93 - 20 - 3265=3, 532/1.8=2...(5) HG3 LYS 24 - HG3 LYS 73 OK 14 73 - 19 - 1099=2, 2.9/3274=1, 2.9/3274=1 HG3 LYS 66 - HG3 LYS 73 OK 13 100 - 13 - 2925=2, 1.8/2925=1 HG2 LYS 66 - HG3 LYS 73 OK 13 100 - 13 - 2925=2, 1.8/2925=1 HG3 LYS 13 - HG3 LYS 73 OK 13 99 - 13 - 3265=2 HG2 LYS 73 - HG3 LYS 12 OK 10 96 - 11 - 3265=2 HG3 LYS 24 - HG3 LYS 12 OK 10 66 - 15 - 1099=2, ~420=1 HB2 ARG 91 - HG3 LYS 73 lone 5 98 - 5 - HG2 LYS 47 - HG3 LYS 12 lone 3 96 - 3 - HB3 LEU 64 - HG3 LYS 73 lone 3 100 - 3 - HG LEU 57 - HG3 LYS 73 lone 3 94 - 3 - HB2 ARG 91 - HG3 LYS 12 lone 2 92 - 2 - HG LEU 64 - HG3 LYS 73 lone 2 87 - 2 - HG3 LYS 33 - HG3 LYS 12 lone 2 79 - 2 - HG3 LYS 33 - HG3 LYS 73 lone 1 87 - 1 - HB3 LEU 64 - HG3 LYS 12 lone 1 95 - 1 - HG LEU 64 - HG3 LYS 12 lone 1 79 - 1 - HG LEU 57 - HG3 LYS 12 lone 0 87 - 1 - Peak 3276 from cnoeabs.peaks (1.60, 1.60, 25.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 73 + HG3 LYS 73 OK 100 100 - 100 HG3 LYS 12 + HG3 LYS 12 OK 94 94 - 100 Peak 3277 from cnoeabs.peaks (1.67, 1.60, 25.00 ppm; 2.40 A): 2 out of 32 assignments used, quality = 0.96: * HD2 LYS 73 + HG3 LYS 73 OK 79 100 - 79 - 3.0=54, 1.8/3298=9...(19) HD3 LYS 73 + HG3 LYS 73 OK 79 100 - 79 - 3.0=54, 1.8/3298=9...(19) HD2 LYS 47 - HG3 LYS 73 OK 12 84 - 14 - 3.0/3275=1 HD3 LYS 47 - HG3 LYS 73 OK 11 81 - 14 - 3.0/3275=1 HD2 LYS 39 - HG3 LYS 12 poor 9 76 - 12 - ~1740=1, 3.0/430=1 HD2 LYS 73 - HG3 LYS 12 lone 8 96 - 8 - 3287=2 HD3 LYS 73 - HG3 LYS 12 lone 8 95 - 8 - 3298=2 HD2 LYS 68 - HG3 LYS 12 lone 5 70 - 7 - HD3 LYS 68 - HG3 LYS 12 lone 5 66 - 7 - HB3 ARG 79 - HG3 LYS 73 lone 3 84 - 4 - HB ILE 52 - HG3 LYS 73 lone 3 100 - 3 - HB3 ARG 91 - HG3 LYS 73 lone 3 77 - 4 - HG3 LYS 20 - HG3 LYS 73 lone 3 97 - 3 - HD3 LYS 20 - HG3 LYS 73 lone 3 97 - 3 - HD2 LYS 20 - HG3 LYS 73 lone 2 92 - 3 - HB3 LYS 40 - HG3 LYS 12 lone 2 66 - 3 - HD2 LYS 47 - HG3 LYS 12 lone 1 76 - 2 - HB ILE 52 - HG3 LYS 12 lone 1 95 - 1 - HD3 LYS 47 - HG3 LYS 12 lone 1 73 - 2 - HB3 ARG 91 - HG3 LYS 12 lone 1 70 - 2 - HB3 LYS 40 - HG3 LYS 73 lone 1 73 - 2 - HD2 LYS 39 - HG3 LYS 73 lone 1 84 - 1 - HG3 LYS 20 - HG3 LYS 12 lone 1 90 - 1 - HB3 ARG 79 - HG3 LYS 12 lone 1 76 - 1 - HD2 LYS 68 - HG3 LYS 73 lone 1 77 - 1 - HD3 LYS 68 - HG3 LYS 73 lone 1 73 - 1 - HD3 LYS 20 - HG3 LYS 12 lone 1 90 - 1 - HD2 LYS 20 - HG3 LYS 12 lone 1 84 - 1 - HB3 LYS 53 - HG3 LYS 12 lone 0 58 - 1 - HB3 LEU 6 - HG3 LYS 73 lone 0 61 - 1 - HB3 LYS 53 - HG3 LYS 73 lone 0 65 - 0 - HB3 LEU 6 - HG3 LYS 12 lone 0 55 - 0 - Peak 3278 from cnoeabs.peaks (1.67, 1.60, 25.00 ppm; 2.40 A): 2 out of 32 assignments used, quality = 0.96: * HD3 LYS 73 + HG3 LYS 73 OK 79 100 - 79 - 3.0=54, 1.8/3298=9...(19) HD2 LYS 73 + HG3 LYS 73 OK 79 100 - 79 - 3.0=54, 1.8/3298=9...(19) HD2 LYS 47 - HG3 LYS 73 OK 11 77 - 14 - 3.0/3275=1 HD3 LYS 47 - HG3 LYS 73 OK 10 73 - 14 - 3.0/3275=1 HD2 LYS 39 - HG3 LYS 12 OK 10 82 - 12 - ~1740=1, 3.0/430=1, 1729/1.8=1 HD3 LYS 73 - HG3 LYS 12 lone 8 96 - 8 - 3298=2 HD2 LYS 73 - HG3 LYS 12 lone 8 95 - 8 - 3298=2 HD2 LYS 68 - HG3 LYS 12 lone 6 76 - 7 - HD3 LYS 68 - HG3 LYS 12 lone 5 73 - 7 - HB3 ARG 79 - HG3 LYS 73 lone 3 90 - 4 - HB ILE 52 - HG3 LYS 73 lone 3 99 - 3 - HG3 LYS 20 - HG3 LYS 73 lone 3 94 - 3 - HB3 ARG 91 - HG3 LYS 73 lone 3 70 - 4 - HD3 LYS 20 - HG3 LYS 73 lone 3 94 - 3 - HD2 LYS 20 - HG3 LYS 73 lone 2 87 - 2 - HB2 LYS 40 - HG3 LYS 12 lone 2 55 - 4 - HB3 LYS 40 - HG3 LYS 12 lone 2 58 - 3 - HB ILE 52 - HG3 LYS 12 lone 1 93 - 1 - HD2 LYS 47 - HG3 LYS 12 lone 1 70 - 2 - HD3 LYS 47 - HG3 LYS 12 lone 1 66 - 2 - HB3 ARG 91 - HG3 LYS 12 lone 1 62 - 2 - HD2 LYS 39 - HG3 LYS 73 lone 1 90 - 1 - HB3 LYS 40 - HG3 LYS 73 lone 1 65 - 1 - HB2 LYS 40 - HG3 LYS 73 lone 1 61 - 2 - HB3 ARG 79 - HG3 LYS 12 lone 1 82 - 1 - HD2 LYS 68 - HG3 LYS 73 lone 1 84 - 1 - HD3 LYS 68 - HG3 LYS 73 lone 1 81 - 1 - HG3 LYS 20 - HG3 LYS 12 lone 1 87 - 1 - HD3 LYS 20 - HG3 LYS 12 lone 1 87 - 1 - HD2 LYS 20 - HG3 LYS 12 lone 1 79 - 1 - HB3 LEU 6 - HG3 LYS 73 lone 0 70 - 1 - HB3 LEU 6 - HG3 LYS 12 lone 0 62 - 0 - Peak 3279 from cnoeabs.peaks (2.95, 1.60, 25.00 ppm; 3.58 A): 3 out of 22 assignments used, quality = 1.00: * HE2 LYS 73 + HG3 LYS 73 OK 94 100 - 94 - 4.0=72, 1.8/3320=15...(41) HE3 LYS 73 + HG3 LYS 73 OK 93 99 - 94 - 4.0=72, 1.8/3320=13...(43) HE3 LYS 12 + HG3 LYS 12 OK 67 73 - 92 - 4.0=74, 1.8/464=14...(28) HE3 LYS 13 - HG3 LYS 12 OK 36 90 - 40 - ~424=3, 3309=3...(20) HE2 LYS 13 - HG3 LYS 12 OK 34 87 - 40 - ~424=3, 1.8/3309=3...(20) HE3 LYS 13 - HG3 LYS 73 OK 30 97 - 31 - 3309=2, 1.8/3309=2...(5) HE2 LYS 13 - HG3 LYS 73 OK 29 94 - 31 - 1.8/3309=2, 3309=2...(6) HE3 LYS 24 - HG3 LYS 12 OK 28 82 - 34 - ~424=3, 424/1.8=2...(15) HE2 LYS 24 - HG3 LYS 12 OK 28 82 - 34 - ~424=3, 424/1.8=2...(15) HE3 LYS 24 - HG3 LYS 73 OK 26 90 - 29 - 3.7/1099=2, 1.8/475=1...(6) HE2 LYS 24 - HG3 LYS 73 OK 26 90 - 29 - 3.7/1099=2, 1.8/475=1...(6) HE3 LYS 90 - HG3 LYS 12 OK 14 70 - 20 - 1.8/3995=2, 3.0/3973=2...(8) HE3 LYS 73 - HG3 LYS 12 OK 13 93 - 13 - 3320=2, 3.0/3277=1...(5) HE2 LYS 73 - HG3 LYS 12 OK 12 96 - 13 - 1.8/3320=1, 3320=1...(5) HE3 LYS 12 - HG3 LYS 73 OK 10 81 - 13 - 1.8/464=3, 4.0/420=2 HB2 ASN 51 - HG3 LYS 73 lone 8 99 - 8 - ~10634=1, 9131/4.1=1 HG2 MET 21 - HG3 LYS 73 lone 8 90 - 8 - 3.9/8565=2, 3.4/10443=1...(4) HE3 LYS 90 - HG3 LYS 73 lone 5 77 - 6 - HG2 MET 21 - HG3 LYS 12 lone 4 82 - 5 - 3.4/10443=1 HB2 ASN 51 - HG3 LYS 12 lone 1 93 - 1 - HB3 PHE 45 - HG3 LYS 12 lone 1 66 - 2 - HB3 PHE 45 - HG3 LYS 73 lone 1 73 - 1 - Peak 3280 from cnoeabs.peaks (2.95, 1.60, 25.00 ppm; 3.58 A): 3 out of 22 assignments used, quality = 1.00: * HE3 LYS 73 + HG3 LYS 73 OK 94 100 - 94 - 4.0=72, 1.8/3320=13...(43) HE2 LYS 73 + HG3 LYS 73 OK 93 99 - 94 - 4.0=72, 1.8/3320=15...(41) HE3 LYS 12 + HG3 LYS 12 OK 50 55 - 92 - 4.0=74, 1.8/464=14...(28) HE3 LYS 13 - HG3 LYS 12 OK 29 79 - 38 - ~424=3, 3309=3...(17) HE3 LYS 13 - HG3 LYS 73 OK 27 87 - 31 - 3309=2, 1.8/3309=2...(5) HE2 LYS 13 - HG3 LYS 12 OK 27 73 - 37 - ~424=3, 1.8/3309=3...(16) HE2 LYS 13 - HG3 LYS 73 OK 25 81 - 31 - 1.8/3309=2, 3309=2...(6) HE2 LYS 24 - HG3 LYS 73 OK 21 73 - 29 - 3.7/1099=2, 1.8/475=1...(6) HE3 LYS 24 - HG3 LYS 73 OK 21 73 - 29 - 3.7/1099=2, 1.8/475=1...(6) HE3 LYS 24 - HG3 LYS 12 OK 21 66 - 32 - ~424=3, 3.7/1099=2...(10) HE2 LYS 24 - HG3 LYS 12 OK 21 66 - 32 - ~424=3, 3.7/1099=2...(10) HE3 LYS 90 - HG3 LYS 12 OK 18 84 - 22 - 4006=3, 1.8/3995=2...(8) HE3 LYS 73 - HG3 LYS 12 OK 13 96 - 13 - 3320=2, 3.0/3277=1...(5) HE2 LYS 73 - HG3 LYS 12 OK 12 93 - 12 - 1.8/3320=1, 3320=1...(5) HG2 MET 21 - HG3 LYS 73 lone 9 98 - 9 - 3.9/8565=2, 12042/3.0=1...(4) HB2 ASN 51 - HG3 LYS 73 lone 8 100 - 8 - ~10634=1, 9131/4.1=1 HE3 LYS 12 - HG3 LYS 73 poor 8 61 - 12 - 1.8/464=3, 4.0/420=2 HE3 LYS 90 - HG3 LYS 73 lone 6 92 - 7 - HG2 MET 21 - HG3 LYS 12 lone 5 92 - 6 - 3.4/10443=1 HB2 ASN 51 - HG3 LYS 12 lone 1 96 - 1 - HB2 ASN 10 - HG3 LYS 73 lone 1 65 - 1 - HB2 ASN 10 - HG3 LYS 12 lone 0 58 - 1 - Peak 3281 from cnoeabs.peaks (7.75, 1.60, 25.00 ppm; 5.02 A): 5 out of 8 assignments used, quality = 0.92: * H MET 74 + HG3 LYS 73 OK 77 100 - 77 - 7213/4.9=22, 3.6/3232=20...(14) H GLU 37 + HG3 LYS 73 OK 27 99 - 28 - 3270/1.8=5, 3237/4.1=5...(8) H VAL 78 + HG3 LYS 73 OK 25 96 - 26 - 7213/4.9=5, 3237/4.1=5...(8) H MET 74 + HG3 LYS 12 OK 23 96 - 24 - 7220=6, 10858/3.7=3...(7) H ASN 60 + HG3 LYS 73 OK 13 73 - 17 - 3237/4.1=2, 4.6/9581=2...(9) H GLU 37 - HG3 LYS 12 lone 5 93 - 5 - H VAL 78 - HG3 LYS 12 lone 4 89 - 5 - H ASN 60 - HG3 LYS 12 lone 3 66 - 5 - Peak 3282 from cnoeabs.peaks (7.84, 1.67, 28.90 ppm; 4.17 A): 2 out of 12 assignments used, quality = 0.99: * H LYS 73 + HD2 LYS 73 OK 88 100 - 88 - 6.4=28, 7208/3.0=18...(24) H LYS 73 + HD3 LYS 73 OK 88 99 - 88 - 6.4=28, 7208/3.0=18...(24) H ASN 26 - HD2 LYS 73 OK 16 100 - 16 - 3271/3.0=5, 3260/3.0=3...(5) H ASN 26 - HD3 LYS 73 OK 16 99 - 16 - 3271/3.0=5, 3260/3.0=3...(5) H LEU 3 - HD2 LYS 73 OK 12 100 - 12 - 3271/3.0=2, 3227/5.1=2...(4) H LEU 3 - HD3 LYS 73 OK 11 99 - 11 - 3271/3.0=2, 3227/5.1=2...(4) H TYR 41 - HD2 LYS 73 lone 5 65 - 8 - H TYR 41 - HD3 LYS 73 lone 5 64 - 8 - H LYS 73 - HD3 LYS 20 lone 4 56 - 6 - H TYR 41 - HD3 LYS 20 lone 2 30 - 8 - H LEU 3 - HD3 LYS 20 lone 2 55 - 4 - H ASN 26 - HD3 LYS 20 lone 1 56 - 3 - Peak 3283 from cnoeabs.peaks (4.17, 1.67, 28.90 ppm; 3.82 A): 2 out of 21 assignments used, quality = 0.99: * HA LYS 73 + HD2 LYS 73 OK 93 100 - 93 - 5.1=41, 3231/3.0=16...(42) HA LYS 73 + HD3 LYS 73 OK 92 99 - 93 - 5.1=41, 3231/3.0=16...(42) HA GLN 72 - HD2 LYS 73 OK 18 70 - 27 - 3.6/3282=8, 3272/3.0=3...(10) HA GLN 72 - HD3 LYS 73 OK 18 68 - 27 - 3.6/3293=8, 3272/3.0=3...(10) HA LYS 13 - HD2 LYS 73 OK 12 70 - 18 - 3272/3.0=2, 3261/3.0=1...(6) HA LYS 13 - HD3 LYS 73 OK 12 68 - 18 - 3272/3.0=2, 3261/3.0=1...(6) HA MET 1 - HD2 LYS 73 OK 12 81 - 14 - 3272/3.0=2, 8005/3.0=2...(6) HB2 SER 59 - HD2 LYS 73 OK 12 84 - 14 - 1.8/9580=3, ~9580=2...(5) HA MET 1 - HD3 LYS 73 OK 11 79 - 15 - 3272/3.0=2, 8005/3.0=2...(6) HB2 SER 59 - HD3 LYS 73 OK 11 82 - 14 - 1.8/9580=3, ~9580=2...(5) HA LYS 73 - HD3 LYS 20 lone 4 56 - 6 - HA MET 1 - HD3 LYS 20 lone 3 39 - 7 - 3/3.5=1 HB2 SER 59 - HD3 LYS 20 lone 1 41 - 3 - HA GLU 98 - HD2 LYS 73 lone 1 73 - 2 - HA GLU 98 - HD3 LYS 73 lone 1 71 - 2 - HB3 SER 85 - HD2 LYS 73 lone 1 61 - 2 - HB3 SER 85 - HD3 LYS 73 lone 1 60 - 1 - HA GLU 98 - HD3 LYS 20 lone 1 34 - 2 - HA GLN 72 - HD3 LYS 20 lone 1 32 - 2 - HB3 SER 85 - HD3 LYS 20 lone 0 28 - 2 - HA LYS 13 - HD3 LYS 20 lone 0 32 - 1 - Peak 3284 from cnoeabs.peaks (1.96, 1.67, 28.90 ppm; 3.00 A): 4 out of 39 assignments used, quality = 1.00: HB3 LYS 73 + HD2 LYS 73 OK 92 100 - 92 - 3.6=58, 2.9/3277=9...(54) * HB2 LYS 73 + HD2 LYS 73 OK 92 100 - 92 - 3.6=58, 2.9/3277=9...(54) HB2 LYS 73 + HD3 LYS 73 OK 91 99 - 92 - 3.6=58, 2.9/3277=9...(54) HB3 LYS 73 + HD3 LYS 73 OK 91 99 - 92 - 3.6=58, 2.9/3277=9...(54) HB2 LYS 24 - HD2 LYS 73 OK 32 99 - 33 - 3245=2, 3274/3.0=2...(8) HB3 LYS 24 - HD2 LYS 73 OK 32 99 - 33 - 3245=2, 3274/3.0=2...(8) HB2 LYS 24 - HD3 LYS 73 OK 32 98 - 33 - 3245=2, 3274/3.0=2...(8) HB3 LYS 24 - HD3 LYS 73 OK 32 98 - 33 - 3245=2, 3274/3.0=2...(8) HB2 LYS 47 - HD2 LYS 73 OK 21 90 - 24 - 3.0/3286=2, 3273/3.0=1 HB2 LYS 47 - HD3 LYS 73 OK 21 88 - 24 - 3.0/3286=2, 3273/3.0=1 HB3 MET 74 - HD2 LYS 73 lone 8 99 - 8 - 4.0/7222=2, 4.2/9600=1 HB3 MET 74 - HD3 LYS 73 lone 8 98 - 8 - 4.0/7222=2, 4.2/9600=1 HB2 LYS 47 - HD3 LYS 20 poor 7 45 - 16 - HB2 MET 1 - HD2 LYS 73 lone 6 73 - 9 - HB2 MET 1 - HD3 LYS 73 lone 6 71 - 9 - HB2 GLU 17 - HD2 LYS 73 lone 5 73 - 7 - HB2 GLU 17 - HD3 LYS 73 lone 5 71 - 7 - HB2 GLU 17 - HD3 LYS 20 poor 4 34 - 11 - ~894=2, 737/5.3=1, ~883=1 HB2 LYS 73 - HD3 LYS 20 lone 3 56 - 5 - HB3 LYS 73 - HD3 LYS 20 lone 3 56 - 5 - QE MET 1 - HD2 LYS 73 lone 3 61 - 4 - QE MET 1 - HD3 LYS 73 lone 3 60 - 4 - HB3 ARG 46 - HD2 LYS 73 lone 2 100 - 2 - HB3 ARG 46 - HD3 LYS 73 lone 2 99 - 2 - HB VAL 32 - HD2 LYS 73 lone 2 70 - 3 - HB VAL 32 - HD3 LYS 73 lone 2 68 - 3 - HB2 ARG 46 - HD2 LYS 73 lone 2 70 - 2 - HB VAL 32 - HD3 LYS 20 lone 2 32 - 5 - 2.1/8946=1 HB2 ARG 46 - HD3 LYS 73 lone 2 68 - 2 - HG3 GLU 88 - HD2 LYS 73 lone 1 81 - 1 - HG3 GLU 88 - HD3 LYS 73 lone 1 79 - 1 - HB2 MET 1 - HD3 LYS 20 lone 1 34 - 3 - HB3 ARG 46 - HD3 LYS 20 lone 1 56 - 1 - HB2 LYS 24 - HD3 LYS 20 lone 1 54 - 2 - HB3 LYS 24 - HD3 LYS 20 lone 1 54 - 2 - QE MET 1 - HD3 LYS 20 lone 1 28 - 3 - HB3 MET 74 - HD3 LYS 20 lone 1 54 - 1 - HG3 GLU 88 - HD3 LYS 20 lone 0 39 - 1 - HB2 ARG 46 - HD3 LYS 20 lone 0 32 - 1 - Peak 3285 from cnoeabs.peaks (1.96, 1.67, 28.90 ppm; 3.00 A): 4 out of 36 assignments used, quality = 1.00: * HB3 LYS 73 + HD2 LYS 73 OK 92 100 - 92 - 3.6=58, 2.9/3277=9...(54) HB2 LYS 73 + HD2 LYS 73 OK 92 100 - 92 - 3.6=58, 2.9/3277=9...(54) HB3 LYS 73 + HD3 LYS 73 OK 91 99 - 92 - 3.6=58, 2.9/3277=9...(54) HB2 LYS 73 + HD3 LYS 73 OK 91 99 - 92 - 3.6=58, 2.9/3277=9...(54) HB3 LYS 24 - HD2 LYS 73 OK 32 98 - 33 - 3245=2, 3274/3.0=2...(8) HB2 LYS 24 - HD2 LYS 73 OK 32 98 - 33 - 3245=2, 3274/3.0=2...(8) HB2 LYS 24 - HD3 LYS 73 OK 31 97 - 33 - 3245=2, 3274/3.0=2...(8) HB3 LYS 24 - HD3 LYS 73 OK 31 97 - 33 - 3245=2, 3274/3.0=2...(8) HB2 LYS 47 - HD2 LYS 73 OK 20 87 - 23 - 3.0/3286=2, 3273/3.0=1 HB2 LYS 47 - HD3 LYS 73 OK 20 85 - 24 - 3.0/3286=2, 3273/3.0=1 HB3 MET 74 - HD2 LYS 73 lone 8 98 - 8 - 4.0/7222=2, 4.2/9600=1 HB3 MET 74 - HD3 LYS 73 lone 8 97 - 8 - 4.0/7222=2, 4.2/9600=1 HB2 LYS 47 - HD3 LYS 20 poor 7 43 - 16 - HB2 MET 1 - HD2 LYS 73 lone 7 77 - 9 - HB2 MET 1 - HD3 LYS 73 lone 7 75 - 9 - HB2 GLU 17 - HD2 LYS 73 lone 6 77 - 7 - HB2 GLU 17 - HD3 LYS 73 lone 6 75 - 7 - HB2 GLU 17 - HD3 LYS 20 poor 4 36 - 11 - ~894=2, 737/5.3=2, ~883=1 HB3 LYS 73 - HD3 LYS 20 lone 3 56 - 5 - HB2 LYS 73 - HD3 LYS 20 lone 3 56 - 5 - HB3 ARG 46 - HD2 LYS 73 lone 2 100 - 2 - HB3 ARG 46 - HD3 LYS 73 lone 2 99 - 2 - HB VAL 32 - HD2 LYS 73 lone 2 73 - 3 - HB VAL 32 - HD3 LYS 73 lone 2 71 - 3 - HB VAL 32 - HD3 LYS 20 lone 2 34 - 6 - 2.1/8946=1 HB2 ARG 46 - HD2 LYS 73 lone 2 65 - 2 - HB2 ARG 46 - HD3 LYS 73 lone 1 64 - 2 - HG3 GLU 88 - HD2 LYS 73 lone 1 84 - 1 - HG3 GLU 88 - HD3 LYS 73 lone 1 82 - 1 - HB2 MET 1 - HD3 LYS 20 lone 1 36 - 3 - HB3 ARG 46 - HD3 LYS 20 lone 1 55 - 1 - HB2 LYS 24 - HD3 LYS 20 lone 1 53 - 2 - HB3 LYS 24 - HD3 LYS 20 lone 1 53 - 2 - HB3 MET 74 - HD3 LYS 20 lone 1 53 - 1 - HG3 GLU 88 - HD3 LYS 20 lone 1 41 - 1 - HB2 ARG 46 - HD3 LYS 20 lone 0 30 - 1 - Peak 3286 from cnoeabs.peaks (1.49, 1.67, 28.90 ppm; 2.52 A): 2 out of 33 assignments used, quality = 0.97: * HG2 LYS 73 + HD2 LYS 73 OK 84 100 - 84 - 3.0=62, 1.8/3277=10...(26) HG2 LYS 73 + HD3 LYS 73 OK 83 99 - 84 - 3.0=62, 1.8/3277=10...(26) HG2 LYS 47 - HD2 LYS 73 OK 19 100 - 19 - 3267=2, 3275/3.0=2...(4) HG2 LYS 47 - HD3 LYS 73 OK 18 99 - 19 - 3267=2, 3275/3.0=2...(4) HG3 LYS 24 - HD2 LYS 73 OK 14 73 - 19 - 1.8/3287=2 HG3 LYS 24 - HD3 LYS 73 OK 14 71 - 19 - 1.8/3298=2 HG3 LYS 13 - HD2 LYS 73 lone 10 99 - 10 - HG3 LYS 13 - HD3 LYS 73 lone 10 98 - 10 - HG3 LYS 66 - HD2 LYS 73 lone 8 100 - 8 - HG2 LYS 66 - HD2 LYS 73 lone 8 100 - 8 - HG3 LYS 66 - HD3 LYS 73 lone 8 99 - 8 - HG2 LYS 66 - HD3 LYS 73 lone 8 99 - 8 - HB2 ARG 91 - HD3 LYS 20 poor 8 53 - 15 - 4030/2.8=1, 4028/1.8=1...(4) HG2 LYS 47 - HD3 LYS 20 poor 7 56 - 12 - 3266=1, 1.8/2174=1 HB2 ARG 91 - HD2 LYS 73 lone 5 98 - 5 - HB2 ARG 91 - HD3 LYS 73 lone 5 97 - 5 - HG LEU 57 - HD2 LYS 73 lone 3 94 - 3 - HG LEU 57 - HD3 LYS 73 lone 3 92 - 3 - HB3 LEU 64 - HD2 LYS 73 lone 2 100 - 2 - HB3 LEU 64 - HD3 LYS 73 lone 2 99 - 2 - HG2 LYS 73 - HD3 LYS 20 lone 2 56 - 3 - HG LEU 64 - HD2 LYS 73 lone 2 87 - 2 - HG2 LYS 66 - HD3 LYS 20 lone 2 56 - 3 - HG3 LYS 66 - HD3 LYS 20 lone 2 56 - 3 - HG LEU 64 - HD3 LYS 73 lone 2 85 - 2 - HG3 LYS 33 - HD2 LYS 73 lone 1 87 - 1 - HG3 LYS 33 - HD3 LYS 73 lone 1 85 - 1 - HG3 LYS 13 - HD3 LYS 20 lone 0 54 - 1 - HB3 LEU 64 - HD3 LYS 20 lone 0 56 - 0 - HG3 LYS 24 - HD3 LYS 20 lone 0 34 - 1 - HG LEU 64 - HD3 LYS 20 lone 0 43 - 0 - HG LEU 57 - HD3 LYS 20 lone 0 48 - 0 - HG3 LYS 33 - HD3 LYS 20 lone 0 43 - 0 - Peak 3287 from cnoeabs.peaks (1.60, 1.67, 28.90 ppm; 2.40 A): 2 out of 39 assignments used, quality = 0.96: * HG3 LYS 73 + HD2 LYS 73 OK 79 100 - 79 - 3.0=54, 3277/1.8=9...(19) HG3 LYS 73 + HD3 LYS 73 OK 79 99 - 79 - 3.0=54, 3277/1.8=9...(19) HG2 LYS 24 - HD2 LYS 73 OK 15 87 - 17 - 1.8/3286=1, 3320/3.0=1 HG2 LYS 24 - HD3 LYS 73 OK 15 85 - 17 - 1.8/3297=1, 3320/3.0=1 HD3 LYS 94 - HD3 LYS 20 poor 8 56 - 15 - 4249/3.0=2, 4249/3.0=2 HG3 LYS 12 - HD2 LYS 73 lone 8 99 - 8 - 3277=2 HG3 LYS 12 - HD3 LYS 73 lone 8 98 - 8 - 3277=2 HD2 LYS 66 - HD2 LYS 73 lone 6 100 - 6 - HD2 LYS 66 - HD3 LYS 73 lone 6 99 - 6 - HB2 ARG 79 - HD3 LYS 73 lone 5 99 - 5 - HB2 ARG 79 - HD2 LYS 73 lone 5 100 - 5 - HG2 ARG 19 - HD3 LYS 20 poor 4 41 - 11 - 810/3.5=2, 811/3.5=2, 4.9/6310=1 HG3 LYS 90 - HD2 LYS 73 lone 4 81 - 4 - HG3 LYS 90 - HD3 LYS 73 lone 3 79 - 4 - HG LEU 27 - HD2 LYS 73 lone 3 100 - 3 - HG LEU 27 - HD3 LYS 73 lone 3 99 - 3 - HD3 LYS 94 - HD2 LYS 73 lone 2 100 - 2 - HD3 LYS 94 - HD3 LYS 73 lone 2 99 - 2 - HG3 LYS 73 - HD3 LYS 20 lone 2 56 - 3 - HD2 LYS 66 - HD3 LYS 20 lone 1 55 - 3 - HB2 ARG 30 - HD2 LYS 73 lone 1 99 - 1 - HB2 ARG 30 - HD3 LYS 73 lone 1 98 - 1 - HB3 LEU 29 - HD2 LYS 73 lone 1 100 - 1 - HB3 LEU 29 - HD3 LYS 73 lone 1 99 - 1 - HG LEU 27 - HD3 LYS 20 lone 1 56 - 2 - HG2 ARG 19 - HD2 LYS 73 lone 1 84 - 1 - HG2 ARG 19 - HD3 LYS 73 lone 1 82 - 1 - HG3 LYS 12 - HD3 LYS 20 lone 1 55 - 1 - HB2 LEU 103 - HD2 LYS 73 lone 0 84 - 0 - HB2 LEU 103 - HD3 LYS 73 lone 0 82 - 0 - HG LEU 103 - HD2 LYS 73 lone 0 73 - 0 - HG LEU 103 - HD3 LYS 73 lone 0 71 - 0 - HG2 LYS 24 - HD3 LYS 20 lone 0 43 - 1 - HG3 LYS 90 - HD3 LYS 20 lone 0 39 - 1 - HB3 LEU 29 - HD3 LYS 20 lone 0 56 - 0 - HB2 ARG 30 - HD3 LYS 20 lone 0 54 - 0 - HB2 LEU 103 - HD3 LYS 20 lone 0 41 - 0 - HB2 ARG 79 - HD3 LYS 20 lone 0 56 - 0 - HG LEU 103 - HD3 LYS 20 lone 0 34 - 0 - Peak 3288 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 HD3 LYS 73 + HD3 LYS 73 OK 99 99 - 100 HD3 LYS 20 + HD3 LYS 20 OK 51 51 - 100 Peak 3289 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 HD3 LYS 73 + HD3 LYS 73 OK 99 99 - 100 HD3 LYS 20 + HD3 LYS 20 OK 48 48 - 100 Reference assignment not found: HD3 LYS 73 - HD2 LYS 73 Peak 3290 from cnoeabs.peaks (2.95, 1.67, 28.90 ppm; 3.04 A): 4 out of 33 assignments used, quality = 1.00: * HE2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 99 99 - 100 - 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 99 99 - 100 - 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 98 98 - 100 - 3.0=100 HE3 LYS 13 - HD2 LYS 73 OK 16 97 - 16 - 3309/3.0=1, 3311=1, 3310/1.8=1 HE3 LYS 13 - HD3 LYS 73 OK 16 96 - 16 - 3311=1, 3309/3.0=1, 3310/1.8=1 HE2 LYS 13 - HD2 LYS 73 OK 15 94 - 16 - 3279/3.0=1, 1.8/3310=1 HE2 LYS 13 - HD3 LYS 73 OK 15 92 - 16 - 3279/3.0=1, 1.8/3310=1 HE2 LYS 24 - HD2 LYS 73 OK 12 90 - 13 - 3.7/3287=1 HE3 LYS 24 - HD2 LYS 73 OK 12 90 - 13 - 3.7/3287=1 HE2 LYS 24 - HD3 LYS 73 OK 12 88 - 13 - 3.7/3298=1 HE3 LYS 24 - HD3 LYS 73 OK 12 88 - 13 - 3.7/3298=1 HB2 ASN 51 - HD2 LYS 73 lone 7 99 - 7 - ~10634=1 HG2 MET 21 - HD2 LYS 73 lone 6 90 - 6 - HB2 ASN 51 - HD3 LYS 73 lone 6 98 - 6 - HG2 MET 21 - HD3 LYS 73 lone 6 88 - 6 - HE3 LYS 12 - HD2 LYS 73 lone 4 81 - 5 - HE3 LYS 12 - HD3 LYS 73 lone 4 79 - 5 - HB2 ASN 51 - HD3 LYS 20 lone 3 54 - 6 - ~903=1 HG2 MET 21 - HD3 LYS 20 lone 3 45 - 8 - 5.1/6329=2, 3.9/8564=1 HE3 LYS 90 - HD2 LYS 73 lone 3 77 - 4 - HE3 LYS 90 - HD3 LYS 73 lone 3 75 - 4 - HE2 LYS 73 - HD3 LYS 20 lone 1 56 - 2 - HE3 LYS 73 - HD3 LYS 20 lone 1 54 - 2 - HB3 PHE 45 - HD2 LYS 73 lone 1 73 - 1 - HB3 PHE 45 - HD3 LYS 73 lone 1 71 - 1 - HE3 LYS 13 - HD3 LYS 20 lone 0 51 - 1 - HE2 LYS 13 - HD3 LYS 20 lone 0 48 - 1 - HE3 LYS 90 - HD3 LYS 20 lone 0 36 - 1 - HE3 LYS 24 - HD3 LYS 20 lone 0 45 - 1 - HE2 LYS 24 - HD3 LYS 20 lone 0 45 - 1 - HE3 LYS 12 - HD3 LYS 20 lone 0 39 - 1 - HB3 PHE 45 - HD3 LYS 20 lone 0 34 - 1 - Peak 3291 from cnoeabs.peaks (2.95, 1.67, 28.90 ppm; 3.04 A): 4 out of 33 assignments used, quality = 1.00: * HE3 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 99 99 - 100 - 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 99 99 - 100 - 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 98 98 - 100 - 3.0=100 HE3 LYS 13 - HD2 LYS 73 OK 14 87 - 16 - 3309/3.0=1, 3311=1 HE3 LYS 13 - HD3 LYS 73 OK 14 85 - 16 - 3311=1, 3309/3.0=1 HE2 LYS 13 - HD2 LYS 73 OK 13 81 - 16 - 1.8/3310=1 HE2 LYS 13 - HD3 LYS 73 OK 12 79 - 16 - 1.8/3310=1 HE3 LYS 24 - HD2 LYS 73 poor 10 73 - 13 - 3.7/3287=1 HE2 LYS 24 - HD2 LYS 73 poor 10 73 - 13 - 3.7/3287=1 HE2 LYS 24 - HD3 LYS 73 poor 9 71 - 13 - 3.7/3298=1 HE3 LYS 24 - HD3 LYS 73 poor 9 71 - 13 - 3.7/3298=1 HB2 ASN 51 - HD2 LYS 73 lone 7 100 - 7 - ~10634=1 HG2 MET 21 - HD2 LYS 73 lone 7 98 - 7 - HG2 MET 21 - HD3 LYS 73 lone 7 97 - 7 - HB2 ASN 51 - HD3 LYS 73 lone 6 99 - 6 - HG2 MET 21 - HD3 LYS 20 lone 4 53 - 8 - 5.1/6327=2, 3.9/8564=1 HE3 LYS 90 - HD2 LYS 73 lone 4 92 - 4 - HE3 LYS 90 - HD3 LYS 73 lone 4 90 - 4 - HB2 ASN 51 - HD3 LYS 20 lone 4 56 - 6 - ~903=1 HE3 LYS 12 - HD2 LYS 73 lone 3 61 - 5 - HE3 LYS 12 - HD3 LYS 73 lone 3 60 - 5 - HE3 LYS 73 - HD3 LYS 20 lone 1 56 - 2 - HE2 LYS 73 - HD3 LYS 20 lone 1 54 - 2 - HB2 ASN 10 - HD2 LYS 73 lone 0 65 - 1 - HB2 ASN 10 - HD3 LYS 73 lone 0 64 - 1 - HE3 LYS 90 - HD3 LYS 20 lone 0 47 - 1 - HB2 ASN 10 - HD3 LYS 20 lone 0 30 - 1 - HE3 LYS 13 - HD3 LYS 20 lone 0 43 - 1 - HE2 LYS 13 - HD3 LYS 20 lone 0 39 - 1 - HE3 LYS 24 - HD3 LYS 20 lone 0 34 - 0 - HE2 LYS 24 - HD3 LYS 20 lone 0 34 - 0 - HE3 LYS 12 - HD3 LYS 20 lone 0 28 - 1 - Peak 3292 from cnoeabs.peaks (7.75, 1.67, 28.90 ppm; 5.23 A): 4 out of 12 assignments used, quality = 0.96: * H MET 74 + HD2 LYS 73 OK 70 100 - 71 - 7213/6.4=16, 3281/3.0=16...(9) H MET 74 + HD3 LYS 73 OK 70 99 - 71 - 7213/6.4=16, 3281/3.0=16...(9) H GLU 37 + HD2 LYS 73 OK 34 99 - 34 - 3281/3.0=6, 3270/3.0=4...(12) H GLU 37 + HD3 LYS 73 OK 33 98 - 33 - 3281/3.0=6, 3270/3.0=4...(10) H VAL 78 - HD2 LYS 73 OK 26 96 - 27 - 3281/3.0=5, 3237/5.1=4...(8) H VAL 78 - HD3 LYS 73 OK 26 94 - 27 - 3281/3.0=5, 3237/5.1=4...(8) H ASN 60 - HD2 LYS 73 OK 12 73 - 16 - 4.6/9580=3, 3281/3.0=3...(8) H ASN 60 - HD3 LYS 73 OK 12 71 - 16 - 4.6/9580=3, 3281/3.0=3...(8) H GLU 37 - HD3 LYS 20 OK 11 54 - 20 - 8828/1.8=2, 8828=2...(10) H MET 74 - HD3 LYS 20 lone 5 56 - 9 - 7221=1 H VAL 78 - HD3 LYS 20 lone 3 50 - 5 - 4.4/10893=1, 9684/3.5=1 H ASN 60 - HD3 LYS 20 lone 1 34 - 4 - Peak 3293 from cnoeabs.peaks (7.84, 1.67, 28.90 ppm; 4.17 A): 2 out of 12 assignments used, quality = 0.99: * H LYS 73 + HD3 LYS 73 OK 88 100 - 88 - 6.4=28, 7208/3.0=18...(24) H LYS 73 + HD2 LYS 73 OK 88 99 - 88 - 6.4=28, 7208/3.0=18...(24) H ASN 26 - HD3 LYS 73 OK 16 100 - 16 - 3271/3.0=5, 3260/3.0=3...(5) H ASN 26 - HD2 LYS 73 OK 16 99 - 16 - 3271/3.0=5, 3260/3.0=3...(5) H LEU 3 - HD3 LYS 73 OK 12 100 - 12 - 3271/3.0=2, 3227/5.1=2...(4) H LEU 3 - HD2 LYS 73 OK 12 99 - 12 - 3271/3.0=2, 3227/5.1=2...(4) H TYR 41 - HD3 LYS 73 lone 5 65 - 8 - H TYR 41 - HD2 LYS 73 lone 5 64 - 8 - H LYS 73 - HD3 LYS 20 lone 3 44 - 6 - H TYR 41 - HD3 LYS 20 lone 2 23 - 8 - H LEU 3 - HD3 LYS 20 lone 1 43 - 3 - H ASN 26 - HD3 LYS 20 lone 1 44 - 2 - Peak 3294 from cnoeabs.peaks (4.17, 1.67, 28.90 ppm; 3.82 A): 2 out of 21 assignments used, quality = 0.99: * HA LYS 73 + HD3 LYS 73 OK 93 100 - 93 - 5.1=41, 3231/3.0=16...(42) HA LYS 73 + HD2 LYS 73 OK 92 99 - 93 - 5.1=41, 3231/3.0=16...(42) HA GLN 72 - HD3 LYS 73 OK 18 70 - 27 - 3.6/3293=8, 3272/3.0=3...(10) HA GLN 72 - HD2 LYS 73 OK 18 68 - 27 - 3.6/3293=8, 3272/3.0=3...(10) HA LYS 13 - HD3 LYS 73 OK 12 70 - 18 - 3272/3.0=2, 3261/3.0=1...(6) HA LYS 13 - HD2 LYS 73 OK 12 68 - 18 - 3272/3.0=2, 3261/3.0=1...(6) HA MET 1 - HD3 LYS 73 OK 12 81 - 15 - 3272/3.0=2, 8005/3.0=2...(6) HB2 SER 59 - HD3 LYS 73 OK 12 84 - 14 - 1.8/9580=3, ~9580=2...(5) HA MET 1 - HD2 LYS 73 OK 11 79 - 14 - 3272/3.0=2, 8005/3.0=2...(6) HB2 SER 59 - HD2 LYS 73 OK 11 82 - 14 - 1.8/9580=3, ~9580=2...(5) HA LYS 73 - HD3 LYS 20 lone 3 44 - 6 - HA MET 1 - HD3 LYS 20 lone 2 30 - 7 - 3/3.5=1 HA GLU 98 - HD3 LYS 73 lone 1 73 - 2 - HA GLU 98 - HD2 LYS 73 lone 1 71 - 2 - HB2 SER 59 - HD3 LYS 20 lone 1 32 - 3 - HB3 SER 85 - HD3 LYS 73 lone 1 61 - 1 - HB3 SER 85 - HD2 LYS 73 lone 1 60 - 1 - HA GLU 98 - HD3 LYS 20 lone 0 26 - 2 - HA GLN 72 - HD3 LYS 20 lone 0 25 - 2 - HA LYS 13 - HD3 LYS 20 lone 0 25 - 1 - HB3 SER 85 - HD3 LYS 20 lone 0 21 - 1 - Peak 3295 from cnoeabs.peaks (1.96, 1.67, 28.90 ppm; 3.00 A): 4 out of 39 assignments used, quality = 1.00: HB3 LYS 73 + HD3 LYS 73 OK 92 100 - 92 - 3.6=58, 2.9/3277=9...(54) * HB2 LYS 73 + HD3 LYS 73 OK 92 100 - 92 - 3.6=58, 2.9/3277=9...(54) HB2 LYS 73 + HD2 LYS 73 OK 91 99 - 92 - 3.6=58, 2.9/3277=9...(54) HB3 LYS 73 + HD2 LYS 73 OK 91 99 - 92 - 3.6=58, 2.9/3277=9...(54) HB2 LYS 24 - HD3 LYS 73 OK 32 99 - 33 - 3245=2, 3274/3.0=2...(8) HB3 LYS 24 - HD3 LYS 73 OK 32 99 - 33 - 3245=2, 3274/3.0=2...(8) HB2 LYS 24 - HD2 LYS 73 OK 32 98 - 33 - 3245=2, 3274/3.0=2...(8) HB3 LYS 24 - HD2 LYS 73 OK 32 98 - 33 - 3245=2, 3274/3.0=2...(8) HB2 LYS 47 - HD3 LYS 73 OK 21 90 - 23 - 3.0/3297=2, 3273/3.0=1 HB2 LYS 47 - HD2 LYS 73 OK 20 88 - 23 - 3.0/3297=2, 3273/3.0=1 HB3 MET 74 - HD3 LYS 73 lone 8 99 - 8 - 4.0/7222=2, 4.2/9600=1 HB3 MET 74 - HD2 LYS 73 lone 8 98 - 8 - 4.0/7222=2, 4.2/9600=1 HB2 MET 1 - HD3 LYS 73 lone 6 73 - 9 - HB2 MET 1 - HD2 LYS 73 lone 6 71 - 9 - HB2 LYS 47 - HD3 LYS 20 poor 6 35 - 16 - HB2 GLU 17 - HD3 LYS 73 lone 5 73 - 7 - HB2 GLU 17 - HD2 LYS 73 lone 5 71 - 7 - HB2 GLU 17 - HD3 LYS 20 poor 3 26 - 11 - ~894=2, 737/5.3=1, ~883=1 QE MET 1 - HD3 LYS 73 lone 3 61 - 4 - QE MET 1 - HD2 LYS 73 lone 3 60 - 4 - HB3 ARG 46 - HD2 LYS 73 lone 2 99 - 2 - HB3 ARG 46 - HD3 LYS 73 lone 2 100 - 2 - HB2 LYS 73 - HD3 LYS 20 lone 2 44 - 5 - HB3 LYS 73 - HD3 LYS 20 lone 2 44 - 5 - HB VAL 32 - HD3 LYS 73 lone 2 70 - 3 - HB VAL 32 - HD2 LYS 73 lone 2 68 - 3 - HB2 ARG 46 - HD3 LYS 73 lone 2 70 - 2 - HB2 ARG 46 - HD2 LYS 73 lone 2 68 - 2 - HB VAL 32 - HD3 LYS 20 lone 1 25 - 5 - HG3 GLU 88 - HD3 LYS 73 lone 1 81 - 1 - HG3 GLU 88 - HD2 LYS 73 lone 1 79 - 1 - HB2 MET 1 - HD3 LYS 20 lone 1 26 - 3 - HB2 LYS 24 - HD3 LYS 20 lone 1 42 - 1 - HB3 LYS 24 - HD3 LYS 20 lone 1 42 - 1 - HB3 ARG 46 - HD3 LYS 20 lone 1 44 - 1 - QE MET 1 - HD3 LYS 20 lone 1 21 - 3 - HB3 MET 74 - HD3 LYS 20 lone 1 42 - 1 - HG3 GLU 88 - HD3 LYS 20 lone 0 30 - 1 - HB2 ARG 46 - HD3 LYS 20 lone 0 25 - 1 - Peak 3296 from cnoeabs.peaks (1.96, 1.67, 28.90 ppm; 3.00 A): 4 out of 36 assignments used, quality = 1.00: * HB3 LYS 73 + HD3 LYS 73 OK 92 100 - 92 - 3.6=58, 2.9/3277=9...(54) HB2 LYS 73 + HD3 LYS 73 OK 92 100 - 92 - 3.6=58, 2.9/3277=9...(54) HB3 LYS 73 + HD2 LYS 73 OK 91 99 - 92 - 3.6=58, 2.9/3277=9...(54) HB2 LYS 73 + HD2 LYS 73 OK 91 99 - 92 - 3.6=58, 2.9/3277=9...(54) HB2 LYS 24 - HD3 LYS 73 OK 32 98 - 33 - 3245=2, 3274/3.0=2...(8) HB3 LYS 24 - HD3 LYS 73 OK 32 98 - 33 - 3245=2, 3274/3.0=2...(8) HB3 LYS 24 - HD2 LYS 73 OK 31 97 - 33 - 3245=2, 3274/3.0=2...(8) HB2 LYS 24 - HD2 LYS 73 OK 31 97 - 33 - 3245=2, 3274/3.0=2...(8) HB2 LYS 47 - HD3 LYS 73 OK 20 87 - 23 - 3.0/3297=2, 3273/3.0=1 HB2 LYS 47 - HD2 LYS 73 OK 19 85 - 23 - 3.0/3297=2, 3273/3.0=1 HB3 MET 74 - HD3 LYS 73 lone 8 98 - 8 - 4.0/7222=2, 4.2/9600=1 HB3 MET 74 - HD2 LYS 73 lone 8 97 - 8 - 4.0/7222=2, 4.2/9600=1 HB2 MET 1 - HD3 LYS 73 lone 7 77 - 9 - HB2 MET 1 - HD2 LYS 73 lone 7 75 - 9 - HB2 GLU 17 - HD3 LYS 73 lone 6 77 - 7 - HB2 GLU 17 - HD2 LYS 73 lone 6 75 - 7 - HB2 LYS 47 - HD3 LYS 20 poor 5 33 - 16 - HB2 GLU 17 - HD3 LYS 20 poor 3 28 - 11 - ~894=2, 737/5.3=2, ~883=1 HB3 ARG 46 - HD2 LYS 73 lone 2 99 - 2 - HB3 ARG 46 - HD3 LYS 73 lone 2 100 - 2 - HB3 LYS 73 - HD3 LYS 20 lone 2 44 - 5 - HB2 LYS 73 - HD3 LYS 20 lone 2 44 - 5 - HB VAL 32 - HD3 LYS 73 lone 2 73 - 3 - HB VAL 32 - HD2 LYS 73 lone 2 71 - 3 - HB2 ARG 46 - HD3 LYS 73 lone 1 65 - 2 - HB2 ARG 46 - HD2 LYS 73 lone 1 64 - 2 - HB VAL 32 - HD3 LYS 20 lone 1 26 - 5 - HG3 GLU 88 - HD3 LYS 73 lone 1 84 - 1 - HG3 GLU 88 - HD2 LYS 73 lone 1 82 - 1 - HB2 MET 1 - HD3 LYS 20 lone 1 28 - 3 - HB2 LYS 24 - HD3 LYS 20 lone 1 41 - 1 - HB3 LYS 24 - HD3 LYS 20 lone 1 41 - 1 - HB3 ARG 46 - HD3 LYS 20 lone 1 43 - 1 - HB3 MET 74 - HD3 LYS 20 lone 0 41 - 1 - HG3 GLU 88 - HD3 LYS 20 lone 0 32 - 1 - HB2 ARG 46 - HD3 LYS 20 lone 0 23 - 1 - Peak 3297 from cnoeabs.peaks (1.49, 1.67, 28.90 ppm; 2.52 A): 2 out of 33 assignments used, quality = 0.97: * HG2 LYS 73 + HD3 LYS 73 OK 84 100 - 84 - 3.0=62, 1.8/3277=10...(26) HG2 LYS 73 + HD2 LYS 73 OK 83 99 - 84 - 3.0=62, 1.8/3277=10...(26) HG2 LYS 47 - HD3 LYS 73 OK 18 100 - 18 - 3267=2, 3275/3.0=2, 3267/1.8=1 HG2 LYS 47 - HD2 LYS 73 OK 18 99 - 18 - 3267=2, 3275/3.0=2, 3267/1.8=1 HG3 LYS 24 - HD3 LYS 73 OK 14 73 - 19 - 1.8/3298=2 HG3 LYS 24 - HD2 LYS 73 OK 14 71 - 19 - 1.8/3298=2 HG3 LYS 13 - HD3 LYS 73 lone 10 99 - 10 - HG3 LYS 13 - HD2 LYS 73 lone 10 98 - 10 - HG3 LYS 66 - HD3 LYS 73 lone 8 100 - 8 - HG2 LYS 66 - HD3 LYS 73 lone 8 100 - 8 - HG3 LYS 66 - HD2 LYS 73 lone 8 99 - 8 - HG2 LYS 66 - HD2 LYS 73 lone 8 99 - 8 - HB2 ARG 91 - HD3 LYS 20 poor 6 41 - 14 - 4030/2.8=1, 4028/1.8=1 HG2 LYS 47 - HD3 LYS 20 poor 5 44 - 12 - 3266=1 HB2 ARG 91 - HD3 LYS 73 lone 5 98 - 5 - HB2 ARG 91 - HD2 LYS 73 lone 5 97 - 5 - HG LEU 57 - HD3 LYS 73 lone 3 94 - 3 - HG LEU 57 - HD2 LYS 73 lone 3 92 - 3 - HB3 LEU 64 - HD3 LYS 73 lone 2 100 - 2 - HB3 LEU 64 - HD2 LYS 73 lone 2 99 - 2 - HG LEU 64 - HD3 LYS 73 lone 2 87 - 2 - HG LEU 64 - HD2 LYS 73 lone 2 85 - 2 - HG2 LYS 73 - HD3 LYS 20 lone 1 44 - 3 - HG2 LYS 66 - HD3 LYS 20 lone 1 44 - 3 - HG3 LYS 66 - HD3 LYS 20 lone 1 44 - 3 - HG3 LYS 33 - HD3 LYS 73 lone 1 87 - 1 - HG3 LYS 33 - HD2 LYS 73 lone 1 85 - 1 - HG3 LYS 13 - HD3 LYS 20 lone 0 42 - 1 - HB3 LEU 64 - HD3 LYS 20 lone 0 44 - 0 - HG3 LYS 24 - HD3 LYS 20 lone 0 26 - 1 - HG LEU 57 - HD3 LYS 20 lone 0 38 - 0 - HG LEU 64 - HD3 LYS 20 lone 0 33 - 0 - HG3 LYS 33 - HD3 LYS 20 lone 0 33 - 0 - Peak 3298 from cnoeabs.peaks (1.60, 1.67, 28.90 ppm; 2.40 A): 2 out of 39 assignments used, quality = 0.96: * HG3 LYS 73 + HD3 LYS 73 OK 79 100 - 79 - 3.0=54, 3277/1.8=9...(19) HG3 LYS 73 + HD2 LYS 73 OK 79 99 - 79 - 3.0=54, 3277/1.8=9...(19) HG2 LYS 24 - HD3 LYS 73 OK 15 87 - 18 - 1.8/3297=1, 3320/3.0=1 HG2 LYS 24 - HD2 LYS 73 OK 15 85 - 17 - 1.8/3297=1, 3320/3.0=1 HG3 LYS 12 - HD3 LYS 73 lone 8 99 - 8 - 3278=2 HG3 LYS 12 - HD2 LYS 73 lone 8 98 - 8 - 3277=2 HD3 LYS 94 - HD3 LYS 20 poor 7 44 - 15 - 4249/3.0=2, 4249/3.0=2 HD2 LYS 66 - HD3 LYS 73 lone 6 100 - 6 - HD2 LYS 66 - HD2 LYS 73 lone 6 99 - 6 - HB2 ARG 79 - HD3 LYS 73 lone 5 100 - 5 - HB2 ARG 79 - HD2 LYS 73 lone 5 99 - 5 - HG3 LYS 90 - HD3 LYS 73 lone 4 81 - 4 - HG3 LYS 90 - HD2 LYS 73 lone 4 79 - 4 - HG2 ARG 19 - HD3 LYS 20 poor 3 32 - 11 - 810/3.5=2, 811/3.5=2, 4.9/6312=1 HG LEU 27 - HD3 LYS 73 lone 3 100 - 3 - HG LEU 27 - HD2 LYS 73 lone 3 99 - 3 - HD3 LYS 94 - HD3 LYS 73 lone 2 100 - 2 - HD3 LYS 94 - HD2 LYS 73 lone 2 99 - 2 - HG3 LYS 73 - HD3 LYS 20 lone 2 44 - 3 - HD2 LYS 66 - HD3 LYS 20 lone 1 43 - 3 - HB2 ARG 30 - HD3 LYS 73 lone 1 99 - 1 - HB2 ARG 30 - HD2 LYS 73 lone 1 98 - 1 - HB3 LEU 29 - HD3 LYS 73 lone 1 100 - 1 - HB3 LEU 29 - HD2 LYS 73 lone 1 99 - 1 - HG2 ARG 19 - HD3 LYS 73 lone 1 84 - 1 - HG2 ARG 19 - HD2 LYS 73 lone 1 82 - 1 - HG LEU 27 - HD3 LYS 20 lone 1 44 - 2 - HB2 LEU 103 - HD3 LYS 73 lone 0 84 - 0 - HB2 LEU 103 - HD2 LYS 73 lone 0 82 - 0 - HG3 LYS 12 - HD3 LYS 20 lone 0 43 - 1 - HG LEU 103 - HD3 LYS 73 lone 0 73 - 0 - HG LEU 103 - HD2 LYS 73 lone 0 71 - 0 - HG2 LYS 24 - HD3 LYS 20 lone 0 33 - 1 - HB3 LEU 29 - HD3 LYS 20 lone 0 44 - 0 - HG3 LYS 90 - HD3 LYS 20 lone 0 30 - 1 - HB2 ARG 30 - HD3 LYS 20 lone 0 42 - 0 - HB2 LEU 103 - HD3 LYS 20 lone 0 32 - 0 - HB2 ARG 79 - HD3 LYS 20 lone 0 44 - 0 - HG LEU 103 - HD3 LYS 20 lone 0 26 - 0 - Peak 3299 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HD3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 HD2 LYS 73 + HD2 LYS 73 OK 99 99 - 100 HD3 LYS 20 - HD3 LYS 20 OK 40 40 - 100 Reference assignment not found: HD2 LYS 73 - HD3 LYS 73 Peak 3300 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 HD2 LYS 73 + HD2 LYS 73 OK 99 99 - 100 HD3 LYS 20 - HD3 LYS 20 OK 38 38 - 100 Peak 3301 from cnoeabs.peaks (2.95, 1.67, 28.90 ppm; 3.04 A): 4 out of 33 assignments used, quality = 1.00: * HE2 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 99 99 - 100 - 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 99 99 - 100 - 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 98 98 - 100 - 3.0=100 HE3 LYS 13 - HD3 LYS 73 OK 16 97 - 16 - 3311=1, 3309/3.0=1, 3310/1.8=1 HE3 LYS 13 - HD2 LYS 73 OK 16 96 - 16 - 3309/3.0=1, 3311=1, 3310/1.8=1 HE2 LYS 13 - HD3 LYS 73 OK 15 94 - 16 - 3279/3.0=1, 1.8/3310=1 HE2 LYS 13 - HD2 LYS 73 OK 15 92 - 16 - 3279/3.0=1, 1.8/3310=1 HE2 LYS 24 - HD3 LYS 73 OK 12 90 - 14 - 3.7/3298=1 HE3 LYS 24 - HD3 LYS 73 OK 12 90 - 14 - 3.7/3298=1 HE2 LYS 24 - HD2 LYS 73 OK 12 88 - 13 - 3.7/3298=1 HE3 LYS 24 - HD2 LYS 73 OK 12 88 - 13 - 3.7/3298=1 HB2 ASN 51 - HD2 LYS 73 lone 7 98 - 7 - ~10634=1 HB2 ASN 51 - HD3 LYS 73 lone 6 99 - 6 - HG2 MET 21 - HD3 LYS 73 lone 6 90 - 6 - HG2 MET 21 - HD2 LYS 73 lone 6 88 - 6 - HE3 LYS 12 - HD3 LYS 73 lone 4 81 - 5 - HE3 LYS 12 - HD2 LYS 73 lone 4 79 - 5 - HE3 LYS 90 - HD3 LYS 73 lone 3 77 - 4 - HE3 LYS 90 - HD2 LYS 73 lone 3 75 - 4 - HB2 ASN 51 - HD3 LYS 20 lone 3 42 - 6 - ~903=1 HG2 MET 21 - HD3 LYS 20 lone 3 35 - 7 - 5.1/6329=2 HE2 LYS 73 - HD3 LYS 20 lone 1 44 - 2 - HE3 LYS 73 - HD3 LYS 20 lone 1 42 - 2 - HB3 PHE 45 - HD3 LYS 73 lone 1 73 - 1 - HB3 PHE 45 - HD2 LYS 73 lone 1 71 - 1 - HE3 LYS 13 - HD3 LYS 20 lone 0 40 - 1 - HE2 LYS 13 - HD3 LYS 20 lone 0 38 - 1 - HE3 LYS 90 - HD3 LYS 20 lone 0 28 - 1 - HE3 LYS 24 - HD3 LYS 20 lone 0 35 - 1 - HE2 LYS 24 - HD3 LYS 20 lone 0 35 - 1 - HE3 LYS 12 - HD3 LYS 20 lone 0 30 - 1 - HB3 PHE 45 - HD3 LYS 20 lone 0 26 - 1 - Peak 3302 from cnoeabs.peaks (2.95, 1.67, 28.90 ppm; 3.04 A): 4 out of 33 assignments used, quality = 1.00: * HE3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 99 99 - 100 - 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 99 99 - 100 - 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 98 98 - 100 - 3.0=100 HE3 LYS 13 - HD3 LYS 73 OK 14 87 - 16 - 3311=1, 3309/3.0=1 HE3 LYS 13 - HD2 LYS 73 OK 14 85 - 16 - 3309/3.0=1, 3311=1 HE2 LYS 13 - HD3 LYS 73 OK 13 81 - 16 - 1.8/3310=1 HE2 LYS 13 - HD2 LYS 73 OK 12 79 - 16 - 1.8/3310=1 HE3 LYS 24 - HD3 LYS 73 poor 10 73 - 13 - 3.7/3298=1 HE2 LYS 24 - HD3 LYS 73 poor 10 73 - 13 - 3.7/3298=1 HE3 LYS 24 - HD2 LYS 73 poor 9 71 - 13 - 3.7/3298=1 HE2 LYS 24 - HD2 LYS 73 poor 9 71 - 13 - 3.7/3298=1 HB2 ASN 51 - HD2 LYS 73 lone 7 99 - 7 - ~10634=1 HG2 MET 21 - HD3 LYS 73 lone 7 98 - 7 - HG2 MET 21 - HD2 LYS 73 lone 7 97 - 7 - HB2 ASN 51 - HD3 LYS 73 lone 6 100 - 6 - HE3 LYS 90 - HD3 LYS 73 lone 4 92 - 4 - HE3 LYS 90 - HD2 LYS 73 lone 4 90 - 4 - HE3 LYS 12 - HD3 LYS 73 lone 3 61 - 5 - HE3 LYS 12 - HD2 LYS 73 lone 3 60 - 5 - HG2 MET 21 - HD3 LYS 20 lone 3 41 - 8 - 5.1/6329=2, 12042/2.8=1 HB2 ASN 51 - HD3 LYS 20 lone 3 44 - 6 - ~903=1 HE3 LYS 73 - HD3 LYS 20 lone 1 44 - 2 - HE2 LYS 73 - HD3 LYS 20 lone 1 42 - 2 - HB2 ASN 10 - HD3 LYS 73 lone 0 65 - 1 - HB2 ASN 10 - HD2 LYS 73 lone 0 64 - 1 - HE3 LYS 90 - HD3 LYS 20 lone 0 36 - 1 - HB2 ASN 10 - HD3 LYS 20 lone 0 23 - 1 - HE3 LYS 13 - HD3 LYS 20 lone 0 33 - 1 - HE2 LYS 13 - HD3 LYS 20 lone 0 30 - 1 - HE2 LYS 24 - HD3 LYS 20 lone 0 26 - 0 - HE3 LYS 24 - HD3 LYS 20 lone 0 26 - 0 - HE3 LYS 12 - HD3 LYS 20 lone 0 21 - 1 - Peak 3303 from cnoeabs.peaks (7.75, 1.67, 28.90 ppm; 5.23 A): 4 out of 12 assignments used, quality = 0.96: * H MET 74 + HD3 LYS 73 OK 70 100 - 71 - 7213/6.4=16, 3281/3.0=16...(9) H MET 74 + HD2 LYS 73 OK 70 99 - 71 - 7213/6.4=16, 3281/3.0=16...(9) H GLU 37 + HD2 LYS 73 OK 33 98 - 34 - 3281/3.0=6, 3270/3.0=4...(11) H GLU 37 + HD3 LYS 73 OK 33 99 - 33 - 3281/3.0=6, 3270/3.0=4...(10) H VAL 78 - HD3 LYS 73 OK 26 96 - 27 - 3281/3.0=5, 3237/5.1=4...(8) H VAL 78 - HD2 LYS 73 OK 26 94 - 27 - 3281/3.0=5, 3237/5.1=4...(8) H ASN 60 - HD3 LYS 73 OK 12 73 - 16 - 4.6/9580=3, 3281/3.0=3...(8) H ASN 60 - HD2 LYS 73 OK 12 71 - 16 - 4.6/9580=3, 3281/3.0=3...(8) H GLU 37 - HD3 LYS 20 poor 8 42 - 19 - 8828/1.8=2, 8828/2.8=2...(9) H MET 74 - HD3 LYS 20 lone 4 44 - 9 - 7221=1 H VAL 78 - HD3 LYS 20 lone 2 39 - 5 - 4.4/10893=1, 9684/3.5=1 H ASN 60 - HD3 LYS 20 lone 1 26 - 4 - Peak 3305 from cnoeabs.peaks (4.17, 2.95, 41.80 ppm; 4.14 A): 2 out of 28 assignments used, quality = 0.96: * HA LYS 73 + HE2 LYS 73 OK 84 100 - 84 - 6.7=24, 3231/4.0=14...(31) HA LYS 73 + HE3 LYS 73 OK 77 92 - 84 - 6.7=24, 3231/4.0=14...(31) HA LYS 13 - HE3 LYS 13 OK 36 49 - 74 - 6.0=33, 518/3.8=7...(39) HA LYS 13 - HE2 LYS 13 OK 28 38 - 74 - 6.0=33, 518/3.8=7...(39) HA LYS 73 - HE3 LYS 13 OK 22 81 - 27 - 3231/3.8=3, 3235=2...(10) HA LYS 73 - HE2 LYS 13 OK 17 65 - 26 - 3231/3.8=3, 3235/1.8=2...(9) HA MET 1 - HE2 LYS 73 OK 13 81 - 16 - 8005/1.8=3, 3272/4.0=2...(8) HA LYS 13 - HE2 LYS 73 OK 12 70 - 16 - 3272/4.0=2, 3294/3.0=1...(6) HA GLN 72 - HE2 LYS 73 OK 11 70 - 17 - 3.6/7212=5, 3272/4.0=3...(7) HA LYS 13 - HE3 LYS 73 OK 11 58 - 18 - 3272/4.0=2, 3294/3.0=1...(5) HA GLN 72 - HE3 LYS 73 poor 10 58 - 17 - 3.6/7212=5, 3272/4.0=3...(7) HA MET 1 - HE3 LYS 73 poor 9 69 - 13 - 3272/4.0=2, 8008/4.0=1...(7) HB2 SER 59 - HE2 LYS 73 lone 8 84 - 9 - ~9580=2, 3272/4.0=1...(4) HB2 SER 59 - HE3 LYS 73 lone 7 72 - 9 - ~9580=2, 3272/4.0=1...(4) HA GLN 72 - HE3 LYS 13 lone 3 49 - 7 - 3.6/7211=1, 518/3.8=1 HA MET 1 - HE3 LYS 13 lone 3 58 - 6 - HA GLN 72 - HE2 LYS 13 lone 3 38 - 7 - 3.6/7211=1, 518/3.8=1 HA MET 1 - HE2 LYS 13 lone 3 46 - 6 - HB2 SER 59 - HE3 LYS 13 lone 1 61 - 2 - HB2 SER 59 - HE2 LYS 13 lone 1 48 - 2 - HA GLU 98 - HE2 LYS 73 lone 1 73 - 1 - HB3 SER 85 - HE3 LYS 13 lone 1 43 - 2 - HB3 SER 85 - HE2 LYS 73 lone 1 61 - 2 - HA GLU 98 - HE3 LYS 73 lone 1 62 - 1 - HB3 SER 85 - HE3 LYS 73 lone 1 51 - 2 - HB3 SER 85 - HE2 LYS 13 lone 1 33 - 2 - HA GLU 98 - HE3 LYS 13 lone 0 52 - 1 - HA GLU 98 - HE2 LYS 13 lone 0 41 - 1 - Peak 3306 from cnoeabs.peaks (1.96, 2.95, 41.80 ppm; 3.30 A): 4 out of 52 assignments used, quality = 1.00: HB3 LYS 73 + HE2 LYS 73 OK 81 100 - 81 - 4.9=31, 2.9/3320=7...(48) * HB2 LYS 73 + HE2 LYS 73 OK 81 100 - 81 - 4.9=31, 2.9/3320=7...(48) HB2 LYS 73 + HE3 LYS 73 OK 75 92 - 82 - 4.9=31, 2.9/3320=8...(50) HB3 LYS 73 + HE3 LYS 73 OK 75 92 - 82 - 4.9=31, 2.9/3320=8...(50) HB2 LYS 24 - HE2 LYS 73 OK 27 99 - 28 - 2.9/3320=1, 3274/4.0=1...(6) HB3 LYS 24 - HE2 LYS 73 OK 27 99 - 28 - 2.9/3320=1, 3274/4.0=1...(6) HB3 LYS 24 - HE3 LYS 73 OK 25 89 - 29 - 2.9/3320=2, 3274/4.0=1...(5) HB2 LYS 24 - HE3 LYS 73 OK 25 89 - 29 - 2.9/3320=2, 3274/4.0=1...(5) HB2 LYS 24 - HE3 LYS 13 OK 23 78 - 29 - 2.9/1103=2, 2.9/3309=1...(5) HB3 LYS 24 - HE3 LYS 13 OK 23 78 - 29 - 2.9/1103=2, 2.9/3309=1...(5) HB3 LYS 73 - HE3 LYS 13 OK 21 80 - 25 - 2.9/3309=1, 3.0/3235=1 HB2 LYS 73 - HE3 LYS 13 OK 20 81 - 25 - 2.9/3309=1, 3.0/3235=1 HB3 LYS 24 - HE2 LYS 13 OK 18 63 - 29 - 2.9/1103=2, ~1104=1...(5) HB2 LYS 24 - HE2 LYS 13 OK 18 63 - 29 - 2.9/1103=2, ~1104=1...(5) HB2 LYS 47 - HE3 LYS 13 OK 18 66 - 27 - 2138/3.8=1, ~2155=1...(6) HB3 LYS 73 - HE2 LYS 13 OK 17 65 - 25 - 2.9/3279=1, 3.0/3235=1 HB2 LYS 73 - HE2 LYS 13 OK 17 65 - 25 - 2.9/3279=1, 3.0/3235=1 HB2 LYS 47 - HE2 LYS 13 OK 14 53 - 26 - 2138/3.8=1, ~2155=1...(5) HB2 LYS 47 - HE2 LYS 73 OK 12 90 - 14 - 3273/4.0=1, 3.0/3319=1 HB2 LYS 47 - HE3 LYS 73 OK 12 78 - 15 - 3.0/3319=1, 3273/4.0=1 HB2 GLU 17 - HE2 LYS 73 lone 5 73 - 7 - 3.0/11024=2, ~11024=1 HB2 MET 1 - HE2 LYS 73 lone 5 73 - 7 - ~8005=1 HB2 GLU 17 - HE3 LYS 13 lone 4 52 - 9 - 3.0/11024=2, ~11024=2 HB2 GLU 17 - HE3 LYS 73 lone 4 62 - 7 - ~11024=1, 3.0/11024=1 HB2 MET 1 - HE3 LYS 73 lone 4 62 - 6 - HB3 MET 74 - HE2 LYS 73 lone 4 99 - 4 - HB2 GLU 17 - HE2 LYS 13 lone 4 41 - 9 - 3.0/11024=2, ~11024=2 HB3 MET 74 - HE3 LYS 73 lone 3 89 - 4 - QE MET 1 - HE2 LYS 73 lone 2 61 - 4 - QE MET 1 - HE3 LYS 73 lone 2 51 - 4 - HB3 MET 74 - HE3 LYS 13 lone 2 78 - 2 - HB3 ARG 46 - HE2 LYS 73 lone 2 100 - 2 - HB3 ARG 46 - HE3 LYS 13 lone 2 80 - 2 - HB3 ARG 46 - HE3 LYS 73 lone 2 91 - 2 - HB3 MET 74 - HE2 LYS 13 lone 1 63 - 2 - HB3 ARG 46 - HE2 LYS 13 lone 1 65 - 2 - HB2 MET 1 - HE3 LYS 13 lone 1 52 - 2 - HB VAL 32 - HE2 LYS 73 lone 1 70 - 2 - HB2 ARG 46 - HE2 LYS 73 lone 1 70 - 1 - HB VAL 32 - HE3 LYS 73 lone 1 58 - 2 - HB2 ARG 46 - HE3 LYS 13 lone 1 49 - 2 - HB2 MET 1 - HE2 LYS 13 lone 1 41 - 2 - HG3 GLU 88 - HE2 LYS 73 lone 1 81 - 1 - HB2 ARG 46 - HE3 LYS 73 lone 1 58 - 1 - HG3 GLU 88 - HE3 LYS 73 lone 1 69 - 1 - HB2 ARG 46 - HE2 LYS 13 lone 1 38 - 2 - QE MET 1 - HE3 LYS 13 lone 1 43 - 1 - QE MET 1 - HE2 LYS 13 lone 0 33 - 1 - HG3 GLU 88 - HE3 LYS 13 lone 0 58 - 1 - HG3 GLU 88 - HE2 LYS 13 lone 0 46 - 1 - HB VAL 32 - HE3 LYS 13 lone 0 49 - 0 - HB VAL 32 - HE2 LYS 13 lone 0 38 - 0 - Peak 3307 from cnoeabs.peaks (1.96, 2.95, 41.80 ppm; 3.30 A): 4 out of 48 assignments used, quality = 1.00: * HB3 LYS 73 + HE2 LYS 73 OK 81 100 - 81 - 4.9=31, 2.9/3320=7...(48) HB2 LYS 73 + HE2 LYS 73 OK 81 100 - 81 - 4.9=31, 2.9/3320=7...(48) HB3 LYS 73 + HE3 LYS 73 OK 75 92 - 82 - 4.9=31, 2.9/3320=8...(50) HB2 LYS 73 + HE3 LYS 73 OK 75 92 - 82 - 4.9=31, 2.9/3320=8...(50) HB3 LYS 24 - HE2 LYS 73 OK 27 98 - 28 - 3274/4.0=1, 2.9/3320=1...(6) HB2 LYS 24 - HE2 LYS 73 OK 27 98 - 28 - 3274/4.0=1, 2.9/3320=1...(6) HB2 LYS 24 - HE3 LYS 73 OK 25 88 - 29 - 2.9/3320=2, 3274/4.0=1...(5) HB3 LYS 24 - HE3 LYS 73 OK 25 88 - 29 - 2.9/3320=2, 3274/4.0=1...(5) HB3 LYS 24 - HE3 LYS 13 OK 22 76 - 29 - 2.9/1103=2, 2.9/3309=1...(5) HB2 LYS 24 - HE3 LYS 13 OK 22 76 - 29 - 2.9/1103=2, 2.9/3309=1...(5) HB3 LYS 73 - HE3 LYS 13 OK 21 81 - 25 - 2.9/3309=1, 3.0/3235=1 HB2 LYS 73 - HE3 LYS 13 OK 20 80 - 25 - 2.9/3309=1, 3.0/3235=1 HB2 LYS 24 - HE2 LYS 13 OK 18 61 - 29 - 2.9/1104=2, ~1104=1...(5) HB3 LYS 24 - HE2 LYS 13 OK 18 61 - 29 - 2.9/1104=2, ~1104=1...(5) HB2 LYS 47 - HE3 LYS 13 OK 17 64 - 27 - 2138/3.8=1, ~2155=1...(6) HB3 LYS 73 - HE2 LYS 13 OK 17 65 - 25 - 2.9/3279=1, 3.0/3235=1 HB2 LYS 73 - HE2 LYS 13 OK 17 65 - 25 - 2.9/3279=1, 3.0/3235=1 HB2 LYS 47 - HE2 LYS 13 OK 13 50 - 26 - 2138/3.8=1, ~2155=1...(5) HB2 LYS 47 - HE2 LYS 73 OK 12 87 - 14 - 3273/4.0=1, 3.0/3319=1 HB2 LYS 47 - HE3 LYS 73 OK 11 75 - 15 - 3.0/3319=1, 3273/4.0=1 HB2 GLU 17 - HE2 LYS 73 lone 6 77 - 7 - 3.0/11024=2, ~11024=1 HB2 MET 1 - HE2 LYS 73 lone 6 77 - 7 - ~8005=1 HB2 GLU 17 - HE3 LYS 13 lone 5 55 - 9 - 3.0/11024=2, ~11024=2 HB2 GLU 17 - HE3 LYS 73 lone 5 65 - 7 - ~11024=1, 3.0/11024=1 HB2 MET 1 - HE3 LYS 73 lone 4 65 - 7 - HB3 MET 74 - HE2 LYS 73 lone 4 98 - 4 - HB2 GLU 17 - HE2 LYS 13 lone 4 43 - 9 - 3.0/11024=2, ~11024=2 HB3 MET 74 - HE3 LYS 73 lone 3 88 - 4 - HB3 ARG 46 - HE2 LYS 73 lone 2 100 - 2 - HB3 MET 74 - HE3 LYS 13 lone 2 76 - 2 - HB3 ARG 46 - HE3 LYS 13 lone 2 80 - 2 - HB3 ARG 46 - HE3 LYS 73 lone 2 91 - 2 - HB3 MET 74 - HE2 LYS 13 lone 1 61 - 2 - HB2 MET 1 - HE3 LYS 13 lone 1 55 - 2 - HB3 ARG 46 - HE2 LYS 13 lone 1 64 - 2 - HB VAL 32 - HE2 LYS 73 lone 1 73 - 2 - HB VAL 32 - HE3 LYS 73 lone 1 62 - 2 - HB2 MET 1 - HE2 LYS 13 lone 1 43 - 2 - HB2 ARG 46 - HE2 LYS 73 lone 1 65 - 1 - HG3 GLU 88 - HE2 LYS 73 lone 1 84 - 1 - HB2 ARG 46 - HE3 LYS 13 lone 1 46 - 2 - HG3 GLU 88 - HE3 LYS 73 lone 1 72 - 1 - HB2 ARG 46 - HE3 LYS 73 lone 1 55 - 1 - HB2 ARG 46 - HE2 LYS 13 lone 1 36 - 2 - HG3 GLU 88 - HE3 LYS 13 lone 0 61 - 1 - HG3 GLU 88 - HE2 LYS 13 lone 0 48 - 1 - HB VAL 32 - HE3 LYS 13 lone 0 52 - 0 - HB VAL 32 - HE2 LYS 13 lone 0 41 - 0 - Peak 3308 from cnoeabs.peaks (1.49, 2.95, 41.80 ppm; 3.02 A): 4 out of 44 assignments used, quality = 0.99: * HG2 LYS 73 + HE2 LYS 73 OK 79 100 - 80 - 4.0=43, 1.8/3320=9...(29) HG2 LYS 73 + HE3 LYS 73 OK 73 92 - 80 - 4.0=43, 1.8/3320=10...(29) HG3 LYS 13 + HE3 LYS 13 OK 57 78 - 74 - 3.8=50, 535/2.9=4...(20) HG3 LYS 13 + HE2 LYS 13 OK 46 63 - 73 - 3.8=50, 535/2.9=4...(20) HG2 LYS 47 - HE3 LYS 13 OK 18 80 - 23 - 522/3.8=2, ~2177=1...(5) HG2 LYS 73 - HE3 LYS 13 OK 18 81 - 22 - 1.8/3309=2, 522/3.8=1, 3268=1 HG3 LYS 24 - HE2 LYS 73 OK 17 73 - 23 - 1.8/3320=2, ~3320=2...(5) HG2 LYS 73 - HE2 LYS 13 OK 15 65 - 22 - 1.8/3309=1, 522/3.8=1...(5) HG2 LYS 47 - HE2 LYS 13 OK 14 65 - 22 - 522/3.8=2, ~2177=1...(5) HG3 LYS 24 - HE3 LYS 73 OK 14 62 - 23 - 1.8/3320=2, ~3320=1...(5) HG2 LYS 47 - HE2 LYS 73 OK 14 100 - 14 - 3297/3.0=2, 3286/3.0=2 HG2 LYS 47 - HE3 LYS 73 OK 13 92 - 15 - 3297/3.0=2, 3286/3.0=2 HG3 LYS 24 - HE3 LYS 13 OK 13 52 - 26 - 1.8/3309=1, 522/3.8=1...(4) HG3 LYS 24 - HE2 LYS 13 OK 10 41 - 25 - 522/3.8=1, 1104/1.8=1...(4) HG3 LYS 13 - HE3 LYS 73 OK 10 89 - 11 - HG3 LYS 13 - HE2 LYS 73 lone 10 99 - 10 - HG3 LYS 66 - HE3 LYS 13 lone 6 80 - 7 - HG2 LYS 66 - HE3 LYS 13 lone 6 80 - 7 - HG3 LYS 66 - HE2 LYS 73 lone 5 100 - 5 - HG2 LYS 66 - HE2 LYS 73 lone 5 100 - 5 - HG3 LYS 66 - HE3 LYS 73 lone 5 92 - 5 - HG2 LYS 66 - HE3 LYS 73 lone 5 92 - 5 - HG3 LYS 66 - HE2 LYS 13 lone 5 65 - 7 - HG2 LYS 66 - HE2 LYS 13 lone 5 65 - 7 - HG3 LYS 33 - HE3 LYS 13 lone 4 64 - 6 - 522/3.8=2 HB2 ARG 91 - HE2 LYS 73 lone 4 98 - 4 - HB2 ARG 91 - HE3 LYS 73 lone 3 88 - 4 - HG3 LYS 33 - HE2 LYS 13 lone 3 50 - 6 - 522/3.8=2 HB2 ARG 91 - HE3 LYS 13 lone 2 76 - 2 - HG LEU 57 - HE2 LYS 73 lone 2 94 - 2 - HB3 LEU 64 - HE2 LYS 73 lone 2 100 - 2 - HG LEU 57 - HE3 LYS 73 lone 2 82 - 2 - HB3 LEU 64 - HE3 LYS 73 lone 1 91 - 2 - HB2 ARG 91 - HE2 LYS 13 lone 1 61 - 2 - HG LEU 64 - HE2 LYS 73 lone 1 87 - 1 - HB3 LEU 64 - HE3 LYS 13 lone 1 80 - 1 - HG LEU 57 - HE3 LYS 13 lone 1 71 - 2 - HG LEU 64 - HE3 LYS 73 lone 1 75 - 1 - HB3 LEU 64 - HE2 LYS 13 lone 1 65 - 1 - HG LEU 57 - HE2 LYS 13 lone 1 57 - 2 - HG3 LYS 33 - HE2 LYS 73 lone 1 87 - 1 - HG3 LYS 33 - HE3 LYS 73 lone 1 75 - 1 - HG LEU 64 - HE3 LYS 13 lone 1 64 - 1 - HG LEU 64 - HE2 LYS 13 lone 0 50 - 1 - Peak 3309 from cnoeabs.peaks (1.60, 2.95, 41.80 ppm; 2.78 A): 3 out of 52 assignments used, quality = 0.92: * HG3 LYS 73 + HE2 LYS 73 OK 70 100 - 70 - 4.0=33, 3277/3.0=8...(28) HG3 LYS 73 + HE3 LYS 73 OK 65 92 - 71 - 4.0=33, 3277/3.0=8...(29) HG3 LYS 12 + HE3 LYS 13 OK 19 79 - 24 - ~424=2, 3279=1...(5) HG2 LYS 24 - HE2 LYS 73 OK 16 87 - 18 - 3298/3.0=1, 3287/3.0=1 HG3 LYS 73 - HE3 LYS 13 OK 15 81 - 19 - 3279=1, 3279/1.8=1, 1.8/3308=1 HG3 LYS 12 - HE2 LYS 13 OK 15 64 - 24 - ~424=2, 3279=1...(5) HG2 LYS 24 - HE3 LYS 73 OK 14 75 - 19 - 3298/3.0=1, 3287/3.0=1 HG2 LYS 24 - HE3 LYS 13 OK 13 64 - 20 - 1.8/1103=1, ~1104=1, ~1103=1 HG3 LYS 73 - HE2 LYS 13 OK 12 65 - 19 - 3279=1, 3279/1.8=1 HG2 LYS 24 - HE2 LYS 13 OK 10 50 - 20 - 1.8/1103=2, ~1104=1, ~1103=1 HG3 LYS 90 - HE2 LYS 73 lone 8 81 - 9 - ~3955=1 HG3 LYS 12 - HE2 LYS 73 lone 7 99 - 7 - HG3 LYS 90 - HE3 LYS 73 lone 7 69 - 10 - HG3 LYS 12 - HE3 LYS 73 lone 7 90 - 7 - HD2 LYS 66 - HE2 LYS 73 lone 4 100 - 4 - HD2 LYS 66 - HE3 LYS 13 lone 4 80 - 5 - HD2 LYS 66 - HE3 LYS 73 lone 4 91 - 4 - HB2 ARG 79 - HE2 LYS 73 lone 4 100 - 3 - HD2 LYS 66 - HE2 LYS 13 lone 3 64 - 5 - HB2 ARG 79 - HE3 LYS 73 lone 3 91 - 3 - HG LEU 27 - HE2 LYS 73 lone 2 100 - 2 - HG LEU 27 - HE3 LYS 73 lone 2 92 - 2 - HD3 LYS 94 - HE2 LYS 73 lone 2 100 - 2 - HD3 LYS 94 - HE3 LYS 13 lone 2 81 - 2 - HD3 LYS 94 - HE3 LYS 73 lone 2 92 - 2 - HD3 LYS 94 - HE2 LYS 13 lone 1 65 - 2 - HB3 LEU 29 - HE3 LYS 13 lone 1 80 - 1 - HB2 ARG 30 - HE2 LYS 73 lone 1 99 - 1 - HG3 LYS 90 - HE3 LYS 13 lone 1 58 - 2 - HB2 ARG 30 - HE3 LYS 73 lone 1 89 - 1 - HB3 LEU 29 - HE2 LYS 73 lone 1 100 - 1 - HB3 LEU 29 - HE2 LYS 13 lone 1 65 - 1 - HB3 LEU 29 - HE3 LYS 73 lone 1 91 - 1 - HG LEU 27 - HE3 LYS 13 lone 1 81 - 1 - HG3 LYS 90 - HE2 LYS 13 lone 1 46 - 2 - HG LEU 27 - HE2 LYS 13 lone 1 65 - 1 - HG2 ARG 19 - HE2 LYS 73 lone 1 84 - 1 - HG2 ARG 19 - HE3 LYS 73 lone 0 72 - 1 - HB2 LEU 103 - HE2 LYS 73 lone 0 84 - 1 - HG2 ARG 19 - HE3 LYS 13 lone 0 61 - 1 - HB2 LEU 103 - HE3 LYS 73 lone 0 72 - 1 - HG LEU 103 - HE2 LYS 73 lone 0 73 - 0 - HB2 ARG 79 - HE3 LYS 13 lone 0 80 - 0 - HB2 ARG 30 - HE3 LYS 13 lone 0 78 - 0 - HG2 ARG 19 - HE2 LYS 13 lone 0 48 - 1 - HG LEU 103 - HE3 LYS 73 lone 0 62 - 0 - HB2 ARG 79 - HE2 LYS 13 lone 0 65 - 0 - HB2 LEU 103 - HE3 LYS 13 lone 0 61 - 0 - HB2 ARG 30 - HE2 LYS 13 lone 0 63 - 0 - HB2 LEU 103 - HE2 LYS 13 lone 0 48 - 0 - HG LEU 103 - HE3 LYS 13 lone 0 52 - 0 - HG LEU 103 - HE2 LYS 13 lone 0 41 - 0 - Peak 3310 from cnoeabs.peaks (1.67, 2.95, 41.80 ppm; 2.52 A): 4 out of 64 assignments used, quality = 0.99: * HD2 LYS 73 + HE2 LYS 73 OK 72 100 - 72 - 3.0=60, 3.0/3320=4...(18) HD3 LYS 73 + HE2 LYS 73 OK 72 100 - 72 - 3.0=60, 3.0/3320=4...(18) HD2 LYS 73 + HE3 LYS 73 OK 67 92 - 73 - 3.0=60, 3.0/3320=5...(18) HD3 LYS 73 + HE3 LYS 73 OK 66 91 - 73 - 3.0=60, 3.0/3320=5...(18) HD2 LYS 73 - HE3 LYS 13 poor 9 81 - 12 - HD3 LYS 73 - HE3 LYS 13 poor 9 80 - 12 - HD2 LYS 73 - HE2 LYS 13 poor 7 65 - 11 - HD3 LYS 73 - HE2 LYS 13 poor 7 65 - 11 - HB ILE 52 - HE2 LYS 73 lone 5 100 - 5 - HB ILE 52 - HE3 LYS 73 lone 5 91 - 5 - HD2 LYS 47 - HE3 LYS 13 lone 5 61 - 8 - HD3 LYS 47 - HE3 LYS 13 lone 4 58 - 8 - HD2 LYS 47 - HE2 LYS 73 lone 4 84 - 5 - HD3 LYS 47 - HE2 LYS 73 lone 4 81 - 5 - HD2 LYS 47 - HE3 LYS 73 lone 4 72 - 5 - HD3 LYS 47 - HE3 LYS 73 lone 4 69 - 5 - HD2 LYS 47 - HE2 LYS 13 lone 4 48 - 7 - HD3 LYS 47 - HE2 LYS 13 lone 3 46 - 7 - HB ILE 52 - HE3 LYS 13 lone 2 80 - 2 - HB3 ARG 79 - HE2 LYS 73 lone 2 84 - 2 - HB3 ARG 79 - HE3 LYS 73 lone 2 72 - 2 - HG3 LYS 20 - HE2 LYS 73 lone 1 97 - 1 - HB ILE 52 - HE2 LYS 13 lone 1 64 - 2 - HB3 ARG 91 - HE2 LYS 73 lone 1 77 - 2 - HG3 LYS 20 - HE3 LYS 73 lone 1 86 - 1 - HB3 ARG 91 - HE3 LYS 73 lone 1 65 - 2 - HD3 LYS 20 - HE2 LYS 73 lone 1 97 - 1 - HD2 LYS 20 - HE2 LYS 73 lone 1 92 - 1 - HD3 LYS 20 - HE3 LYS 73 lone 1 86 - 1 - HD2 LYS 20 - HE3 LYS 73 lone 1 80 - 1 - HB3 LYS 40 - HE2 LYS 73 lone 1 73 - 1 - HD2 LYS 39 - HE3 LYS 13 lone 0 61 - 1 - HB3 ARG 91 - HE3 LYS 13 lone 0 55 - 1 - HB3 LYS 40 - HE3 LYS 73 lone 0 62 - 1 - HD2 LYS 68 - HE2 LYS 73 lone 0 77 - 0 - HD2 LYS 39 - HE2 LYS 73 lone 0 84 - 0 - HD2 LYS 39 - HE2 LYS 13 lone 0 48 - 1 - HD3 LYS 68 - HE2 LYS 73 lone 0 73 - 0 - HB3 ARG 91 - HE2 LYS 13 lone 0 43 - 1 - HD2 LYS 68 - HE3 LYS 73 lone 0 65 - 0 - HD2 LYS 39 - HE3 LYS 73 lone 0 72 - 0 - HG3 LYS 20 - HE3 LYS 13 lone 0 75 - 0 - HD3 LYS 68 - HE3 LYS 73 lone 0 62 - 0 - HD3 LYS 20 - HE3 LYS 13 lone 0 75 - 0 - HD2 LYS 20 - HE3 LYS 13 lone 0 69 - 0 - HB3 LYS 40 - HE3 LYS 13 lone 0 52 - 0 - HB3 LYS 53 - HE2 LYS 73 lone 0 65 - 0 - HG3 LYS 20 - HE2 LYS 13 lone 0 60 - 0 - HB3 LEU 6 - HE2 LYS 73 lone 0 61 - 0 - HD3 LYS 20 - HE2 LYS 13 lone 0 60 - 0 - HD2 LYS 68 - HE3 LYS 13 lone 0 55 - 0 - HB3 LYS 53 - HE3 LYS 73 lone 0 55 - 0 - HD2 LYS 20 - HE2 LYS 13 lone 0 55 - 0 - HD3 LYS 68 - HE3 LYS 13 lone 0 52 - 0 - HB3 ARG 79 - HE3 LYS 13 lone 0 61 - 0 - HB3 LYS 40 - HE2 LYS 13 lone 0 41 - 0 - HB3 LEU 6 - HE3 LYS 73 lone 0 51 - 0 - HD2 LYS 68 - HE2 LYS 13 lone 0 43 - 0 - HD3 LYS 68 - HE2 LYS 13 lone 0 41 - 0 - HB3 ARG 79 - HE2 LYS 13 lone 0 48 - 0 - HB3 LYS 53 - HE3 LYS 13 lone 0 46 - 0 - HB3 LEU 6 - HE3 LYS 13 lone 0 43 - 0 - HB3 LYS 53 - HE2 LYS 13 lone 0 36 - 0 - HB3 LEU 6 - HE2 LYS 13 lone 0 33 - 0 - Peak 3311 from cnoeabs.peaks (1.67, 2.95, 41.80 ppm; 2.63 A): 4 out of 64 assignments used, quality = 1.00: * HD3 LYS 73 + HE2 LYS 73 OK 78 100 - 78 - 3.0=68, 3.0/3320=5...(19) HD2 LYS 73 + HE2 LYS 73 OK 78 100 - 78 - 3.0=68, 3.0/3320=5...(19) HD3 LYS 73 + HE3 LYS 73 OK 72 92 - 79 - 3.0=68, 3.0/3320=5...(19) HD2 LYS 73 + HE3 LYS 73 OK 72 91 - 79 - 3.0=68, 3.0/3320=5...(19) HD3 LYS 73 - HE3 LYS 13 OK 10 81 - 13 - HD2 LYS 73 - HE3 LYS 13 OK 10 80 - 13 - HD3 LYS 73 - HE2 LYS 13 poor 8 65 - 12 - HD2 LYS 73 - HE2 LYS 13 poor 8 65 - 12 - HB ILE 52 - HE2 LYS 73 lone 6 99 - 6 - HB ILE 52 - HE3 LYS 73 lone 5 89 - 6 - HD2 LYS 47 - HE3 LYS 13 lone 5 55 - 8 - HD2 LYS 47 - HE2 LYS 73 lone 4 77 - 6 - HD3 LYS 47 - HE3 LYS 13 lone 4 52 - 8 - HD3 LYS 47 - HE2 LYS 73 lone 4 73 - 5 - HD2 LYS 47 - HE3 LYS 73 lone 4 65 - 6 - HD3 LYS 47 - HE3 LYS 73 lone 3 62 - 6 - HD2 LYS 47 - HE2 LYS 13 lone 3 43 - 8 - HD3 LYS 47 - HE2 LYS 13 lone 3 41 - 8 - HB3 ARG 79 - HE2 LYS 73 lone 2 90 - 2 - HB ILE 52 - HE3 LYS 13 lone 2 78 - 3 - HB3 ARG 79 - HE3 LYS 73 lone 2 78 - 2 - HG3 LYS 20 - HE2 LYS 73 lone 2 94 - 2 - HB ILE 52 - HE2 LYS 13 lone 2 63 - 2 - HB3 ARG 91 - HE2 LYS 73 lone 1 70 - 2 - HG3 LYS 20 - HE3 LYS 73 lone 1 82 - 2 - HB3 ARG 91 - HE3 LYS 73 lone 1 58 - 2 - HD3 LYS 20 - HE2 LYS 73 lone 1 94 - 1 - HD2 LYS 20 - HE2 LYS 73 lone 1 87 - 1 - HD3 LYS 20 - HE3 LYS 73 lone 1 82 - 1 - HD2 LYS 20 - HE3 LYS 73 lone 1 75 - 1 - HD2 LYS 39 - HE3 LYS 13 lone 1 66 - 1 - HB3 LYS 40 - HE2 LYS 73 lone 1 65 - 1 - HB2 LYS 40 - HE2 LYS 73 lone 1 61 - 1 - HD2 LYS 68 - HE2 LYS 73 lone 0 84 - 1 - HD2 LYS 39 - HE2 LYS 73 lone 0 90 - 0 - HB3 LYS 40 - HE3 LYS 73 lone 0 55 - 1 - HD2 LYS 39 - HE2 LYS 13 lone 0 53 - 1 - HB3 ARG 91 - HE3 LYS 13 lone 0 49 - 1 - HD3 LYS 68 - HE2 LYS 73 lone 0 81 - 1 - HD2 LYS 68 - HE3 LYS 73 lone 0 72 - 1 - HB2 LYS 40 - HE3 LYS 73 lone 0 51 - 1 - HD2 LYS 39 - HE3 LYS 73 lone 0 78 - 0 - HD3 LYS 68 - HE3 LYS 73 lone 0 69 - 1 - HB3 LEU 6 - HE2 LYS 73 lone 0 70 - 0 - HB3 ARG 91 - HE2 LYS 13 lone 0 38 - 1 - HG3 LYS 20 - HE3 LYS 13 lone 0 71 - 0 - HD3 LYS 20 - HE3 LYS 13 lone 0 71 - 0 - HB3 LEU 6 - HE3 LYS 73 lone 0 58 - 0 - HD2 LYS 20 - HE3 LYS 13 lone 0 64 - 0 - HD2 LYS 68 - HE3 LYS 13 lone 0 61 - 0 - HG3 LYS 20 - HE2 LYS 13 lone 0 57 - 0 - HD3 LYS 68 - HE3 LYS 13 lone 0 58 - 0 - HB3 LYS 40 - HE3 LYS 13 lone 0 46 - 1 - HB3 ARG 79 - HE3 LYS 13 lone 0 66 - 0 - HD3 LYS 20 - HE2 LYS 13 lone 0 57 - 0 - HB2 LYS 40 - HE3 LYS 13 lone 0 43 - 1 - HD2 LYS 20 - HE2 LYS 13 lone 0 50 - 0 - HD2 LYS 68 - HE2 LYS 13 lone 0 48 - 0 - HD3 LYS 68 - HE2 LYS 13 lone 0 46 - 0 - HB3 LYS 40 - HE2 LYS 13 lone 0 36 - 1 - HB3 ARG 79 - HE2 LYS 13 lone 0 53 - 0 - HB2 LYS 40 - HE2 LYS 13 lone 0 33 - 1 - HB3 LEU 6 - HE3 LYS 13 lone 0 49 - 0 - HB3 LEU 6 - HE2 LYS 13 lone 0 38 - 0 - Peak 3312 from cnoeabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 73 + HE2 LYS 73 OK 100 100 - 100 HE3 LYS 73 + HE3 LYS 73 OK 89 89 - 100 HE3 LYS 13 + HE3 LYS 13 OK 75 75 - 100 HE2 LYS 13 + HE2 LYS 13 OK 57 57 - 100 Peak 3313 from cnoeabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HE2 LYS 73 + HE2 LYS 73 OK 99 99 - 100 HE3 LYS 73 + HE3 LYS 73 OK 92 92 - 100 HE3 LYS 13 + HE3 LYS 13 OK 64 64 - 100 HE2 LYS 13 + HE2 LYS 13 OK 46 46 - 100 Reference assignment not found: HE3 LYS 73 - HE2 LYS 73 Peak 3316 from cnoeabs.peaks (4.17, 2.95, 41.80 ppm; 4.63 A): 2 out of 14 assignments used, quality = 0.98: * HA LYS 73 + HE3 LYS 73 OK 91 100 - 91 - 6.7=33, 3231/4.0=17...(35) HA LYS 73 + HE2 LYS 73 OK 83 92 - 91 - 6.7=33, 3231/4.0=17...(31) HA LYS 13 - HE3 LYS 73 OK 15 70 - 22 - 3272/4.0=2, 3294/3.0=2...(7) HA MET 1 - HE3 LYS 73 OK 15 81 - 18 - 3272/4.0=2, 8008/4.0=2...(9) HA GLN 72 - HE3 LYS 73 OK 14 70 - 20 - 3.6/7212=6, 3272/4.0=4...(7) HA MET 1 - HE2 LYS 73 OK 13 69 - 19 - 8005/1.8=3, 3272/4.0=2...(9) HA GLN 72 - HE2 LYS 73 OK 12 58 - 20 - 3.6/7212=6, 3272/4.0=4...(7) HA LYS 13 - HE2 LYS 73 OK 11 58 - 19 - 3272/4.0=2, 3294/3.0=2...(6) HB2 SER 59 - HE3 LYS 73 poor 10 84 - 11 - ~9580=2, 3272/4.0=2...(5) HB2 SER 59 - HE2 LYS 73 poor 8 72 - 11 - ~9580=2, 3272/4.0=2...(5) HA GLU 98 - HE3 LYS 73 lone 1 73 - 2 - HB3 SER 85 - HE3 LYS 73 lone 1 61 - 2 - HA GLU 98 - HE2 LYS 73 lone 1 62 - 2 - HB3 SER 85 - HE2 LYS 73 lone 1 51 - 2 - Peak 3317 from cnoeabs.peaks (1.96, 2.95, 41.80 ppm; 3.73 A): 4 out of 26 assignments used, quality = 1.00: HB3 LYS 73 + HE3 LYS 73 OK 92 100 - 92 - 4.9=44, 2.9/3320=12...(52) * HB2 LYS 73 + HE3 LYS 73 OK 92 100 - 92 - 4.9=44, 2.9/3320=12...(52) HB2 LYS 73 + HE2 LYS 73 OK 83 92 - 91 - 4.9=44, 2.9/3320=11...(50) HB3 LYS 73 + HE2 LYS 73 OK 83 92 - 91 - 4.9=44, 2.9/3320=11...(50) HB2 LYS 24 - HE3 LYS 73 OK 35 99 - 36 - 2.9/3320=3, 2.9/3319=2...(19) HB3 LYS 24 - HE3 LYS 73 OK 35 99 - 36 - 2.9/3320=3, 2.9/3319=2...(19) HB3 LYS 24 - HE2 LYS 73 OK 31 89 - 35 - 2.9/3320=2, 3274/4.0=2...(15) HB2 LYS 24 - HE2 LYS 73 OK 31 89 - 35 - 2.9/3320=2, 3274/4.0=2...(15) HB2 LYS 47 - HE3 LYS 73 OK 18 90 - 20 - 3.0/3319=2, 3273/4.0=1...(5) HB2 LYS 47 - HE2 LYS 73 OK 14 78 - 18 - 3.0/3319=2, 3273/4.0=1...(6) HB2 GLU 17 - HE3 LYS 73 lone 7 73 - 9 - ~11024=2, 3.0/11024=1 HB2 MET 1 - HE3 LYS 73 lone 6 73 - 9 - 4.2/8030=1, 3.0/8005=1 HB2 MET 1 - HE2 LYS 73 lone 6 62 - 10 - ~8005=2, 4.2/8030=1 HB2 GLU 17 - HE2 LYS 73 lone 6 62 - 9 - 3.0/11024=2, ~11024=1 HB3 MET 74 - HE3 LYS 73 lone 5 99 - 5 - 3274/4.0=1 HB3 MET 74 - HE2 LYS 73 lone 5 89 - 5 - 3274/4.0=1 QE MET 1 - HE3 LYS 73 lone 4 61 - 6 - 8030=1 QE MET 1 - HE2 LYS 73 lone 3 51 - 6 - 8030=1 HB3 ARG 46 - HE3 LYS 73 lone 2 100 - 2 - HB3 ARG 46 - HE2 LYS 73 lone 2 91 - 2 - HB VAL 32 - HE3 LYS 73 lone 1 70 - 2 - HB2 ARG 46 - HE3 LYS 73 lone 1 70 - 2 - HB VAL 32 - HE2 LYS 73 lone 1 58 - 2 - HG3 GLU 88 - HE3 LYS 73 lone 1 81 - 1 - HB2 ARG 46 - HE2 LYS 73 lone 1 58 - 2 - HG3 GLU 88 - HE2 LYS 73 lone 1 69 - 1 - Peak 3318 from cnoeabs.peaks (1.96, 2.95, 41.80 ppm; 3.73 A): 4 out of 24 assignments used, quality = 1.00: * HB3 LYS 73 + HE3 LYS 73 OK 92 100 - 92 - 4.9=44, 2.9/3320=12...(52) HB2 LYS 73 + HE3 LYS 73 OK 92 100 - 92 - 4.9=44, 2.9/3320=12...(52) HB3 LYS 73 + HE2 LYS 73 OK 83 92 - 91 - 4.9=44, 2.9/3320=11...(50) HB2 LYS 73 + HE2 LYS 73 OK 83 92 - 91 - 4.9=44, 2.9/3320=11...(50) HB3 LYS 24 - HE3 LYS 73 OK 35 98 - 36 - 2.9/3320=3, 2.9/3319=2...(19) HB2 LYS 24 - HE3 LYS 73 OK 35 98 - 36 - 2.9/3320=3, 2.9/3319=2...(19) HB2 LYS 24 - HE2 LYS 73 OK 30 88 - 35 - 2.9/3320=2, 3274/4.0=2...(15) HB3 LYS 24 - HE2 LYS 73 OK 30 88 - 35 - 2.9/3320=2, 3274/4.0=2...(15) HB2 LYS 47 - HE3 LYS 73 OK 17 87 - 20 - 3.0/3319=2, 3273/4.0=1...(5) HB2 LYS 47 - HE2 LYS 73 OK 13 75 - 18 - 3.0/3319=2, 3273/4.0=1...(6) HB2 GLU 17 - HE3 LYS 73 lone 7 77 - 9 - ~11024=2, 3.0/11024=1 HB2 MET 1 - HE3 LYS 73 lone 7 77 - 9 - 4.2/8030=1, 3.0/8005=1 HB2 MET 1 - HE2 LYS 73 lone 6 65 - 10 - ~8005=2, 4.2/8030=1 HB2 GLU 17 - HE2 LYS 73 lone 6 65 - 9 - 3.0/11024=2, ~11024=1 HB3 MET 74 - HE3 LYS 73 lone 5 98 - 5 - 3274/4.0=1 HB3 MET 74 - HE2 LYS 73 lone 5 88 - 5 - 3274/4.0=1 HB3 ARG 46 - HE3 LYS 73 lone 2 100 - 2 - HB3 ARG 46 - HE2 LYS 73 lone 2 91 - 2 - HB VAL 32 - HE3 LYS 73 lone 2 73 - 2 - HB VAL 32 - HE2 LYS 73 lone 1 62 - 2 - HB2 ARG 46 - HE3 LYS 73 lone 1 65 - 2 - HG3 GLU 88 - HE3 LYS 73 lone 1 84 - 1 - HG3 GLU 88 - HE2 LYS 73 lone 1 72 - 1 - HB2 ARG 46 - HE2 LYS 73 lone 1 55 - 2 - Peak 3319 from cnoeabs.peaks (1.49, 2.95, 41.80 ppm; 3.43 A): 2 out of 22 assignments used, quality = 0.99: * HG2 LYS 73 + HE3 LYS 73 OK 91 100 - 91 - 4.0=63, 1.8/3320=14...(38) HG2 LYS 73 + HE2 LYS 73 OK 83 92 - 91 - 4.0=63, 1.8/3320=13...(38) HG3 LYS 24 - HE3 LYS 73 OK 22 73 - 30 - 1.8/3320=3, ~3320=2...(10) HG2 LYS 47 - HE3 LYS 73 OK 19 100 - 20 - 3297/3.0=2, 3286/3.0=2...(5) HG3 LYS 24 - HE2 LYS 73 OK 18 62 - 29 - 1.8/3320=3, ~3320=2...(9) HG2 LYS 47 - HE2 LYS 73 OK 17 92 - 19 - 3297/3.0=2, 3286/3.0=2...(5) HG3 LYS 13 - HE3 LYS 73 OK 15 99 - 15 - 3275/4.0=1, 3269=1...(4) HG3 LYS 13 - HE2 LYS 73 OK 11 89 - 13 - 3275/4.0=1, 3297/3.0=1 HG3 LYS 66 - HE3 LYS 73 lone 8 100 - 7 - 3275/4.0=1 HG2 LYS 66 - HE3 LYS 73 lone 7 100 - 7 - 3275/4.0=1 HG3 LYS 66 - HE2 LYS 73 lone 7 92 - 7 - 3275/4.0=1 HG2 LYS 66 - HE2 LYS 73 lone 7 92 - 7 - 3275/4.0=1 HB2 ARG 91 - HE3 LYS 73 lone 5 98 - 5 - HB2 ARG 91 - HE2 LYS 73 lone 4 88 - 5 - HG LEU 57 - HE3 LYS 73 lone 3 94 - 3 - HB3 LEU 64 - HE3 LYS 73 lone 2 100 - 2 - HG LEU 57 - HE2 LYS 73 lone 2 82 - 3 - HB3 LEU 64 - HE2 LYS 73 lone 2 91 - 2 - HG LEU 64 - HE3 LYS 73 lone 2 87 - 2 - HG LEU 64 - HE2 LYS 73 lone 1 75 - 2 - HG3 LYS 33 - HE3 LYS 73 lone 1 87 - 1 - HG3 LYS 33 - HE2 LYS 73 lone 1 75 - 1 - Peak 3320 from cnoeabs.peaks (1.60, 2.95, 41.80 ppm; 2.75 A): 4 out of 26 assignments used, quality = 0.92: * HG3 LYS 73 + HE3 LYS 73 OK 71 100 - 71 - 4.0=33, 3277/3.0=8...(29) HG3 LYS 73 + HE2 LYS 73 OK 64 92 - 70 - 4.0=33, 3277/3.0=8...(28) HG2 LYS 24 + HE3 LYS 73 OK 16 87 - 19 - 1.8/3319=2, 3298/3.0=1 HG2 LYS 24 + HE2 LYS 73 OK 13 75 - 18 - 3298/3.0=1, 3287/3.0=1 HG3 LYS 90 - HE3 LYS 73 poor 9 81 - 11 - 2.9/3977=1, 1.8/3955=1 HG3 LYS 90 - HE2 LYS 73 poor 7 69 - 11 - ~3955=1 HG3 LYS 12 - HE3 LYS 73 lone 7 99 - 7 - HG3 LYS 12 - HE2 LYS 73 lone 6 90 - 6 - HD2 LYS 66 - HE3 LYS 73 lone 4 100 - 4 - HD2 LYS 66 - HE2 LYS 73 lone 4 91 - 4 - HB2 ARG 79 - HE3 LYS 73 lone 4 100 - 3 - HB2 ARG 79 - HE2 LYS 73 lone 3 91 - 3 - HG LEU 27 - HE3 LYS 73 lone 2 100 - 2 - HD3 LYS 94 - HE3 LYS 73 lone 2 100 - 2 - HG LEU 27 - HE2 LYS 73 lone 2 92 - 2 - HD3 LYS 94 - HE2 LYS 73 lone 1 92 - 2 - HB2 ARG 30 - HE3 LYS 73 lone 1 99 - 1 - HB3 LEU 29 - HE3 LYS 73 lone 1 100 - 1 - HB2 ARG 30 - HE2 LYS 73 lone 1 89 - 1 - HB3 LEU 29 - HE2 LYS 73 lone 1 91 - 1 - HG2 ARG 19 - HE3 LYS 73 lone 1 84 - 1 - HB2 LEU 103 - HE3 LYS 73 lone 0 84 - 1 - HG2 ARG 19 - HE2 LYS 73 lone 0 72 - 1 - HB2 LEU 103 - HE2 LYS 73 lone 0 72 - 0 - HG LEU 103 - HE3 LYS 73 lone 0 73 - 0 - HG LEU 103 - HE2 LYS 73 lone 0 62 - 0 - Peak 3321 from cnoeabs.peaks (1.67, 2.95, 41.80 ppm; 2.74 A): 4 out of 32 assignments used, quality = 1.00: * HD2 LYS 73 + HE3 LYS 73 OK 86 100 - 86 - 3.0=77, 3.0/3320=7...(21) HD3 LYS 73 + HE3 LYS 73 OK 86 100 - 86 - 3.0=77, 3.0/3320=7...(21) HD2 LYS 73 + HE2 LYS 73 OK 78 92 - 85 - 3.0=77, 3.0/3320=6...(21) HD3 LYS 73 + HE2 LYS 73 OK 78 91 - 85 - 3.0=77, 3.0/3320=6...(21) HB ILE 52 - HE3 LYS 73 lone 7 100 - 7 - HD2 LYS 47 - HE3 LYS 73 lone 6 84 - 7 - HB ILE 52 - HE2 LYS 73 lone 5 91 - 6 - HD3 LYS 47 - HE3 LYS 73 lone 5 81 - 7 - HD2 LYS 47 - HE2 LYS 73 lone 5 72 - 6 - HD3 LYS 47 - HE2 LYS 73 lone 4 69 - 6 - HB3 ARG 79 - HE3 LYS 73 lone 2 84 - 3 - HB3 ARG 91 - HE3 LYS 73 lone 2 77 - 3 - HB3 ARG 79 - HE2 LYS 73 lone 2 72 - 3 - HG3 LYS 20 - HE3 LYS 73 lone 2 97 - 2 - HG3 LYS 20 - HE2 LYS 73 lone 2 86 - 2 - HB3 ARG 91 - HE2 LYS 73 lone 2 65 - 3 - HD3 LYS 20 - HE3 LYS 73 lone 1 97 - 1 - HD2 LYS 20 - HE3 LYS 73 lone 1 92 - 1 - HD3 LYS 20 - HE2 LYS 73 lone 1 86 - 1 - HD2 LYS 20 - HE2 LYS 73 lone 1 80 - 1 - HB3 LYS 40 - HE3 LYS 73 lone 1 73 - 1 - HB3 LYS 40 - HE2 LYS 73 lone 1 62 - 1 - HD2 LYS 68 - HE3 LYS 73 lone 1 77 - 1 - HD2 LYS 39 - HE3 LYS 73 lone 1 84 - 1 - HD3 LYS 68 - HE3 LYS 73 lone 0 73 - 1 - HD2 LYS 68 - HE2 LYS 73 lone 0 65 - 1 - HD2 LYS 39 - HE2 LYS 73 lone 0 72 - 1 - HD3 LYS 68 - HE2 LYS 73 lone 0 62 - 1 - HB3 LEU 6 - HE3 LYS 73 lone 0 61 - 1 - HB3 LYS 53 - HE3 LYS 73 lone 0 65 - 0 - HB3 LEU 6 - HE2 LYS 73 lone 0 51 - 1 - HB3 LYS 53 - HE2 LYS 73 lone 0 55 - 0 - Peak 3322 from cnoeabs.peaks (1.67, 2.95, 41.80 ppm; 2.67 A): 4 out of 32 assignments used, quality = 1.00: * HD3 LYS 73 + HE3 LYS 73 OK 82 100 - 82 - 3.0=71, 3.0/3320=7...(19) HD2 LYS 73 + HE3 LYS 73 OK 82 100 - 82 - 3.0=71, 3.0/3320=7...(19) HD3 LYS 73 + HE2 LYS 73 OK 75 92 - 81 - 3.0=71, 3.0/3320=6...(19) HD2 LYS 73 + HE2 LYS 73 OK 74 91 - 81 - 3.0=71, 3.0/3320=6...(19) HB ILE 52 - HE3 LYS 73 lone 6 99 - 6 - HB ILE 52 - HE2 LYS 73 lone 5 89 - 6 - HD2 LYS 47 - HE3 LYS 73 lone 5 77 - 6 - HD3 LYS 47 - HE3 LYS 73 lone 5 73 - 6 - HD2 LYS 47 - HE2 LYS 73 lone 4 65 - 6 - HD3 LYS 47 - HE2 LYS 73 lone 4 62 - 6 - HB3 ARG 79 - HE3 LYS 73 lone 2 90 - 3 - HB3 ARG 79 - HE2 LYS 73 lone 2 78 - 3 - HG3 LYS 20 - HE3 LYS 73 lone 2 94 - 2 - HB3 ARG 91 - HE3 LYS 73 lone 2 70 - 2 - HG3 LYS 20 - HE2 LYS 73 lone 1 82 - 2 - HB3 ARG 91 - HE2 LYS 73 lone 1 58 - 2 - HD3 LYS 20 - HE3 LYS 73 lone 1 94 - 1 - HD2 LYS 20 - HE3 LYS 73 lone 1 87 - 1 - HD3 LYS 20 - HE2 LYS 73 lone 1 82 - 1 - HD2 LYS 20 - HE2 LYS 73 lone 1 75 - 1 - HB3 LYS 40 - HE3 LYS 73 lone 1 65 - 1 - HB2 LYS 40 - HE3 LYS 73 lone 1 61 - 1 - HD2 LYS 68 - HE3 LYS 73 lone 1 84 - 1 - HD3 LYS 68 - HE3 LYS 73 lone 1 81 - 1 - HB3 LYS 40 - HE2 LYS 73 lone 1 55 - 1 - HD2 LYS 39 - HE3 LYS 73 lone 0 90 - 1 - HB2 LYS 40 - HE2 LYS 73 lone 0 51 - 1 - HD2 LYS 68 - HE2 LYS 73 lone 0 72 - 1 - HD3 LYS 68 - HE2 LYS 73 lone 0 69 - 1 - HD2 LYS 39 - HE2 LYS 73 lone 0 78 - 0 - HB3 LEU 6 - HE3 LYS 73 lone 0 70 - 0 - HB3 LEU 6 - HE2 LYS 73 lone 0 58 - 0 - Peak 3323 from cnoeabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 73 + HE3 LYS 73 OK 99 99 - 100 HE2 LYS 73 + HE2 LYS 73 OK 92 92 - 100 Reference assignment not found: HE2 LYS 73 - HE3 LYS 73 Peak 3324 from cnoeabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 73 + HE3 LYS 73 OK 100 100 - 100 HE2 LYS 73 + HE2 LYS 73 OK 89 89 - 100 Peak 3326 from cnoeabs.peaks (7.75, 4.40, 55.19 ppm; 3.70 A): 1 out of 4 assignments used, quality = 1.00: * H MET 74 + HA MET 74 OK 100 100 - 100 - 3.0=100 H GLU 37 - HA MET 74 OK 42 99 - 42 - 7233/3.6=6, 6572/3.0=6...(13) H VAL 78 - HA MET 74 OK 27 96 - 28 - 7233/3.6=4, 3358/4.0=4...(11) H ASN 60 - HA MET 74 poor 9 73 - 12 - 3350/4.0=2, 3358/4.0=1...(8) Peak 3327 from cnoeabs.peaks (4.40, 4.40, 55.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 74 + HA MET 74 OK 100 100 - 100 Peak 3328 from cnoeabs.peaks (2.06, 4.40, 55.19 ppm; 3.62 A): 1 out of 13 assignments used, quality = 1.00: * HB2 MET 74 + HA MET 74 OK 100 100 - 100 - 3.0=100 HB2 MET 21 - HA MET 74 OK 24 87 - 28 - 961=4, 3344/3.0=3...(14) HB3 LEU 38 - HA MET 74 OK 24 92 - 27 - 7226/3.0=4, 3344/3.0=3...(12) HB3 GLU 43 - HA MET 74 OK 17 100 - 17 - 3368/5.3=3, 7226/3.0=2...(6) HB3 GLU 35 - HA MET 74 OK 14 65 - 22 - 1.8/3332=4, ~7230=2...(9) HB2 GLU 16 - HA MET 74 OK 12 84 - 14 - 1.8/10865=3, 3344/3.0=2...(7) HB3 GLU 88 - HA MET 74 lone 6 77 - 8 - HG2 GLU 28 - HA MET 74 lone 6 100 - 6 - HG3 GLU 28 - HA MET 74 lone 6 100 - 6 - HB3 GLU 48 - HA MET 74 lone 3 77 - 4 - HB2 GLU 98 - HA MET 74 lone 2 65 - 2 - HB3 GLU 98 - HA MET 74 lone 1 61 - 2 - HB2 GLU 99 - HA MET 74 lone 1 61 - 1 - Peak 3329 from cnoeabs.peaks (1.96, 4.40, 55.19 ppm; 3.72 A): 3 out of 11 assignments used, quality = 1.00: * HB3 MET 74 + HA MET 74 OK 100 100 - 100 - 3.0=100 HB2 LYS 73 + HA MET 74 OK 59 99 - 60 - 3.0/10859=11, 3248/3.0=8...(21) HB3 LYS 73 + HA MET 74 OK 58 98 - 60 - 3.0/10859=11, 3248/3.0=8...(21) HB3 ARG 46 - HA MET 74 OK 35 100 - 35 - 3.6/12326=16, 3.6/9013=8...(9) HB3 LYS 24 - HA MET 74 OK 32 100 - 32 - 1072=2, 7218/3.0=2...(18) HB2 LYS 24 - HA MET 74 OK 32 100 - 32 - 1072=2, 7218/3.0=2...(18) HB2 ARG 46 - HA MET 74 OK 30 87 - 34 - 3.6/12326=16, 3.6/9013=8...(9) HB2 GLU 37 - HA MET 74 OK 29 77 - 38 - 4.1/3326=5, 3.0/8827=5...(16) QE MET 1 - HA MET 74 OK 12 81 - 14 - 4.2/3332=3, 5.3/10859=2...(4) HB2 LYS 47 - HA MET 74 OK 10 98 - 11 - ~7219=1, ~3270=1 HG3 GLU 88 - HA MET 74 lone 4 61 - 6 - Peak 3330 from cnoeabs.peaks (2.53, 4.40, 55.19 ppm; 3.65 A): 2 out of 5 assignments used, quality = 0.96: * HG2 MET 74 + HA MET 74 OK 93 100 - 93 - 4.0=77, 1.8/3331=22...(18) HG3 GLN 72 + HA MET 74 OK 36 92 - 40 - 7228/3.0=7, 3.0/10865=6...(11) HG3 GLU 95 - HA MET 74 OK 20 100 - 20 - 7228/3.0=4, 3338/3.0=3...(7) HG3 GLU 63 - HA MET 74 OK 11 87 - 13 - 3338/3.0=3, 3346/3.0=3...(6) HB2 ASP 61 - HA MET 74 lone 1 65 - 2 - Peak 3331 from cnoeabs.peaks (2.62, 4.40, 55.19 ppm; 3.98 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 74 + HA MET 74 OK 100 100 - 100 - 4.0=100 HB3 ASP 77 - HA MET 74 OK 28 87 - 32 - 7229/3.0=7, 3339/3.0=5...(10) HB3 TYR 41 - HA MET 74 OK 17 77 - 22 - 3339/3.0=4, 3347/3.0=4...(7) HB3 ASP 65 - HA MET 74 lone 3 65 - 5 - Peak 3332 from cnoeabs.peaks (2.00, 4.40, 55.19 ppm; 3.92 A): 4 out of 7 assignments used, quality = 0.94: * QE MET 74 + HA MET 74 OK 83 100 - 83 - 5.3=39, 3.4/3331=18...(14) HB3 MET 1 + HA MET 74 OK 36 100 - 36 - 3348/3.0=6, 7230/3.0=5...(12) HB2 GLU 35 + HA MET 74 OK 26 98 - 27 - 7230/3.0=5, 3348/3.0=4...(10) HB3 GLU 44 + HA MET 74 OK 26 100 - 26 - 3348/3.0=5, 3340/3.0=4...(10) HB2 GLU 44 - HA MET 74 OK 26 100 - 26 - 3348/3.0=5, 3340/3.0=4...(10) HB3 GLU 17 - HA MET 74 OK 17 99 - 17 - 3348/3.0=3, 7230/3.0=3...(7) HB2 GLU 62 - HA MET 74 lone 4 81 - 5 - Peak 3333 from cnoeabs.peaks (8.08, 4.40, 55.19 ppm; 3.90 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 75 + HA MET 74 OK 100 100 - 100 - 3.6=100 H LYS 39 - HA MET 74 OK 26 97 - 27 - 6594/3.0=7, 3373/5.3=5...(8) H LYS 13 - HA MET 74 OK 25 100 - 25 - 7231/3.0=5, 2.9/10859=3...(11) H ILE 15 - HA MET 74 OK 16 100 - 16 - 7231/3.0=4, 3373/5.3=2...(7) H GLU 17 - HA MET 74 OK 14 84 - 16 - 7231/3.0=2, 4.6/10865=2...(9) H SER 102 - HA MET 74 lone 2 70 - 2 - Peak 3334 from cnoeabs.peaks (7.75, 2.06, 33.37 ppm; 4.68 A): 2 out of 4 assignments used, quality = 1.00: * H MET 74 + HB2 MET 74 OK 100 100 - 100 - 4.0=100 H GLU 37 + HB2 MET 74 OK 54 99 - 55 - 3342/1.8=11, 3350/2.9=10...(9) H VAL 78 - HB2 MET 74 OK 38 96 - 39 - 3358/2.9=7, 3342/1.8=7...(10) H ASN 60 - HB2 MET 74 OK 13 73 - 17 - 3350/2.9=3, 3358/2.9=3...(6) Peak 3335 from cnoeabs.peaks (4.40, 2.06, 33.37 ppm; 4.67 A): 1 out of 6 assignments used, quality = 1.00: * HA MET 74 + HB2 MET 74 OK 100 100 - 100 - 3.0=100 HA MET 21 - HB2 MET 74 OK 43 96 - 45 - 958/1.8=7, 3351/2.9=5...(18) HA ALA 25 - HB2 MET 74 OK 32 92 - 35 - 3343/1.8=5, 3359/2.9=5...(13) HA VAL 32 - HB2 MET 74 OK 28 96 - 30 - 3343/1.8=4, 3359/2.9=4...(12) HA GLN 50 - HB2 MET 74 OK 24 99 - 25 - 7234/4.3=4, 3343/1.8=4...(10) HA HIS 106 - HB2 MET 74 OK 20 99 - 20 - 3343/1.8=3, 3351/2.9=3...(10) Peak 3336 from cnoeabs.peaks (2.06, 2.06, 33.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 74 + HB2 MET 74 OK 100 100 - 100 Peak 3337 from cnoeabs.peaks (1.96, 2.06, 33.37 ppm; 3.52 A): 3 out of 11 assignments used, quality = 1.00: * HB3 MET 74 + HB2 MET 74 OK 100 100 - 100 - 1.8=100 HB2 LYS 73 + HB2 MET 74 OK 46 99 - 46 - 4.6/7226=8, ~10859=4...(20) HB3 LYS 73 + HB2 MET 74 OK 45 98 - 46 - 4.6/7226=8, ~10859=4...(20) HB2 LYS 24 - HB2 MET 74 OK 23 100 - 23 - 3329/3.0=2, 3361/2.9=2...(10) HB3 LYS 24 - HB2 MET 74 OK 23 100 - 23 - 3329/3.0=2, 3361/2.9=2...(10) HB2 GLU 37 - HB2 MET 74 OK 22 77 - 29 - 4.1/3334=4, 4.6/9584=3...(14) HB3 ARG 46 - HB2 MET 74 OK 21 100 - 21 - 3369/4.2=3, 3329/3.0=2...(9) HB2 ARG 46 - HB2 MET 74 OK 17 87 - 20 - 3369/4.2=3, 3329/3.0=2...(11) QE MET 1 - HB2 MET 74 poor 9 81 - 11 - 4.2/3340=3, ~28=1 HB2 LYS 47 - HB2 MET 74 lone 8 98 - 8 - HG3 GLU 88 - HB2 MET 74 lone 4 61 - 6 - Peak 3338 from cnoeabs.peaks (2.53, 2.06, 33.37 ppm; 4.21 A): 1 out of 5 assignments used, quality = 1.00: * HG2 MET 74 + HB2 MET 74 OK 100 100 - 100 - 2.9=100 HG3 GLN 72 - HB2 MET 74 OK 44 92 - 49 - 3346/1.8=8, 3330/3.0=8...(15) HG3 GLU 95 - HB2 MET 74 OK 29 100 - 28 - 3346/1.8=5, 3330/3.0=4...(10) HG3 GLU 63 - HB2 MET 74 OK 22 87 - 25 - 3346/1.8=4, 3362/2.9=4...(11) HB2 ASP 61 - HB2 MET 74 lone 2 65 - 3 - Peak 3339 from cnoeabs.peaks (2.62, 2.06, 33.37 ppm; 4.32 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 74 + HB2 MET 74 OK 100 100 - 100 - 2.9=100 HB3 ASP 77 - HB2 MET 74 OK 32 87 - 37 - 3347/1.8=7, 7229/4.0=7...(10) HB3 TYR 41 - HB2 MET 74 OK 23 77 - 30 - 3371/4.2=6, 3347/1.8=6...(8) HB3 ASP 65 - HB2 MET 74 lone 4 65 - 6 - 3347/1.8=1 Peak 3340 from cnoeabs.peaks (2.00, 2.06, 33.37 ppm; 3.72 A): 4 out of 7 assignments used, quality = 0.96: * QE MET 74 + HB2 MET 74 OK 86 100 - 86 - 4.2=71, 3348/1.8=18...(9) HB3 MET 1 + HB2 MET 74 OK 33 100 - 33 - 3348/1.8=7, 3332/3.0=4...(13) HB3 GLU 44 + HB2 MET 74 OK 31 100 - 31 - 3348/1.8=6, ~3348=4...(12) HB2 GLU 44 + HB2 MET 74 OK 31 100 - 31 - 3348/1.8=6, ~3348=4...(12) HB2 GLU 35 - HB2 MET 74 OK 28 98 - 29 - 3348/1.8=5, 3356/2.9=3...(11) HB3 GLU 17 - HB2 MET 74 OK 17 99 - 17 - 3348/1.8=3, 3364/2.9=2...(8) HB2 GLU 62 - HB2 MET 74 lone 5 81 - 6 - Peak 3341 from cnoeabs.peaks (8.08, 2.06, 33.37 ppm; 6.13 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 75 + HB2 MET 74 OK 100 100 - 100 - 4.3=100 H LYS 39 + HB2 MET 74 OK 63 97 - 65 - 3373/4.2=14, 8955/2.9=13...(11) H LYS 13 + HB2 MET 74 OK 56 100 - 56 - 7231/4.0=8, 3349/1.8=7...(15) H ILE 15 - HB2 MET 74 OK 43 100 - 43 - 4.6/9584=7, 7231/4.0=6...(10) H GLU 17 - HB2 MET 74 OK 31 84 - 37 - ~10863=7, 3349/1.8=4...(11) H SER 102 - HB2 MET 74 lone 6 70 - 8 - 3.6/10860=1 Peak 3342 from cnoeabs.peaks (7.75, 1.96, 33.37 ppm; 4.65 A): 2 out of 4 assignments used, quality = 1.00: * H MET 74 + HB3 MET 74 OK 100 100 - 100 - 4.0=100 H GLU 37 + HB3 MET 74 OK 55 99 - 56 - 3334/1.8=10, 3350/2.9=10...(12) H VAL 78 - HB3 MET 74 OK 36 96 - 38 - 3334/1.8=7, 3358/2.9=7...(8) H ASN 60 - HB3 MET 74 OK 12 73 - 16 - 3350/2.9=3, 3358/2.9=3...(6) Peak 3343 from cnoeabs.peaks (4.40, 1.96, 33.37 ppm; 5.04 A): 2 out of 6 assignments used, quality = 1.00: * HA MET 74 + HB3 MET 74 OK 100 100 - 100 - 3.0=100 HA MET 21 + HB3 MET 74 OK 47 96 - 49 - 3335/1.8=8, 957=7...(18) HA ALA 25 - HB3 MET 74 OK 40 92 - 43 - 3335/1.8=6, ~9597=6...(15) HA VAL 32 - HB3 MET 74 OK 33 96 - 35 - 3335/1.8=5, 3359/2.9=4...(13) HA GLN 50 - HB3 MET 74 OK 28 99 - 29 - 3335/1.8=4, 7234/4.3=4...(10) HA HIS 106 - HB3 MET 74 OK 25 99 - 25 - 3335/1.8=4, 3359/2.9=3...(10) Peak 3344 from cnoeabs.peaks (2.06, 1.96, 33.37 ppm; 3.57 A): 1 out of 13 assignments used, quality = 1.00: * HB2 MET 74 + HB3 MET 74 OK 100 100 - 100 - 1.8=100 HB3 LEU 38 - HB3 MET 74 OK 28 92 - 30 - 3352/2.9=4, 3360/2.9=3...(15) HB2 MET 21 - HB3 MET 74 OK 22 87 - 25 - 3.0/958=4, 3328/3.0=3...(13) HB3 GLU 43 - HB3 MET 74 OK 20 100 - 20 - 3368/4.2=4, 3360/2.9=3...(9) HB3 GLU 35 - HB3 MET 74 OK 16 65 - 25 - 1.8/3348=5, ~3340=3...(12) HB2 GLU 16 - HB3 MET 74 OK 14 84 - 16 - 3360/2.9=2, 3352/2.9=2...(8) HG3 GLU 28 - HB3 MET 74 lone 7 100 - 7 - HG2 GLU 28 - HB3 MET 74 lone 7 100 - 7 - HB3 GLU 88 - HB3 MET 74 lone 7 77 - 8 - HB3 GLU 48 - HB3 MET 74 lone 4 77 - 5 - HB2 GLU 98 - HB3 MET 74 lone 1 65 - 2 - HB3 GLU 98 - HB3 MET 74 lone 1 61 - 2 - HB2 GLU 99 - HB3 MET 74 lone 1 61 - 1 - Peak 3345 from cnoeabs.peaks (1.96, 1.96, 33.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 74 + HB3 MET 74 OK 100 100 - 100 Peak 3346 from cnoeabs.peaks (2.53, 1.96, 33.37 ppm; 4.43 A): 2 out of 5 assignments used, quality = 1.00: * HG2 MET 74 + HB3 MET 74 OK 100 100 - 100 - 2.9=100 HG3 GLN 72 + HB3 MET 74 OK 46 92 - 50 - 3338/1.8=9, 3330/3.0=8...(13) HG3 GLU 95 - HB3 MET 74 OK 30 100 - 30 - 3338/1.8=6, 3330/3.0=5...(10) HG3 GLU 63 - HB3 MET 74 OK 24 87 - 27 - 3338/1.8=5, 3362/2.9=4...(11) HB2 ASP 61 - HB3 MET 74 lone 2 65 - 4 - Peak 3347 from cnoeabs.peaks (2.62, 1.96, 33.37 ppm; 4.69 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 74 + HB3 MET 74 OK 100 100 - 100 - 2.9=100 HB3 ASP 77 - HB3 MET 74 OK 36 87 - 41 - 3339/1.8=9, 7229/4.0=7...(10) HB3 TYR 41 - HB3 MET 74 OK 28 77 - 36 - 3371/4.2=7, 3339/1.8=6...(10) HB3 ASP 65 - HB3 MET 74 lone 5 65 - 7 - 3339/1.8=1 Peak 3348 from cnoeabs.peaks (2.00, 1.96, 33.37 ppm; 2.98 A): 6 out of 7 assignments used, quality = 0.84: * QE MET 74 + HB3 MET 74 OK 58 100 - 58 - 4.2=36, 3368/1.8=10...(8) HB3 MET 1 + HB3 MET 74 OK 24 100 - 24 - 21=4, 3340/1.8=3...(10) HB3 GLU 44 + HB3 MET 74 OK 19 100 - 19 - 3340/1.8=3, 3.0/1999=3...(11) HB2 GLU 44 + HB3 MET 74 OK 19 100 - 19 - 3340/1.8=3, 3.0/1999=3...(11) HB2 GLU 35 + HB3 MET 74 OK 17 98 - 17 - 3340/1.8=3, 3356/2.9=2...(8) HB3 GLU 17 + HB3 MET 74 OK 10 99 - 10 - 3340/1.8=2, 3364/2.9=1...(7) HB2 GLU 62 - HB3 MET 74 lone 3 81 - 3 - Peak 3349 from cnoeabs.peaks (8.08, 1.96, 33.37 ppm; 6.39 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 75 + HB3 MET 74 OK 100 100 - 100 - 4.3=100 H LYS 39 + HB3 MET 74 OK 58 97 - 60 - 3373/4.2=14, 8955/2.9=14...(9) H LYS 13 + HB3 MET 74 OK 52 100 - 52 - 3341/1.8=8, 7231/4.0=8...(13) H ILE 15 - HB3 MET 74 OK 36 100 - 36 - 3341/1.8=6, 7231/4.0=6...(8) H GLU 17 - HB3 MET 74 OK 32 84 - 38 - ~10863=7, 3341/1.8=5...(10) H SER 102 - HB3 MET 74 lone 5 70 - 7 - 3373/4.2=1 Peak 3350 from cnoeabs.peaks (7.75, 2.53, 33.04 ppm; 4.02 A): 2 out of 4 assignments used, quality = 0.96: * H MET 74 + HG2 MET 74 OK 92 100 - 92 - 4.8=58, 7229/1.8=28...(16) H GLU 37 + HG2 MET 74 OK 47 99 - 47 - 3358/1.8=10, ~10870=7...(11) H VAL 78 - HG2 MET 74 OK 29 96 - 30 - 3358/1.8=7, 3334/2.9=5...(7) H ASN 60 - HG2 MET 74 OK 16 73 - 21 - 9411=3, 3358/1.8=3...(11) Peak 3351 from cnoeabs.peaks (4.40, 2.53, 33.04 ppm; 3.91 A): 1 out of 6 assignments used, quality = 0.99: * HA MET 74 + HG2 MET 74 OK 99 100 - 99 - 4.0=95, 3331/1.8=25...(18) HA MET 21 - HG2 MET 74 OK 26 96 - 27 - 3359/1.8=5, 957/2.9=5...(10) HA ALA 25 - HG2 MET 74 OK 23 92 - 25 - 3359/1.8=5, ~9597=4...(9) HA VAL 32 - HG2 MET 74 OK 19 96 - 20 - 3359/1.8=4, 3335/2.9=3...(8) HA HIS 106 - HG2 MET 74 OK 13 99 - 13 - 3359/1.8=3, 3367/3.4=2...(7) HA GLN 50 - HG2 MET 74 OK 13 99 - 13 - 3359/1.8=2, 3335/2.9=2...(6) Peak 3352 from cnoeabs.peaks (2.06, 2.53, 33.04 ppm; 3.90 A): 1 out of 13 assignments used, quality = 1.00: * HB2 MET 74 + HG2 MET 74 OK 100 100 - 100 - 2.9=100 HB3 LEU 38 - HG2 MET 74 OK 37 92 - 40 - 3360/1.8=5, ~1625=4...(16) HB3 GLU 43 - HG2 MET 74 OK 30 100 - 30 - 3368/3.4=6, ~10280=4...(9) HB2 MET 21 - HG2 MET 74 OK 25 87 - 29 - 3.0/3351=4, 3360/1.8=4...(14) HB3 GLU 35 - HG2 MET 74 OK 19 65 - 30 - 1.8/3356=5, ~3364=3...(11) HB2 GLU 16 - HG2 MET 74 OK 16 84 - 19 - 3360/1.8=2, ~10863=2...(10) HG3 GLU 28 - HG2 MET 74 lone 8 100 - 8 - 3360/1.8=1, 3344/2.9=1 HG2 GLU 28 - HG2 MET 74 lone 8 100 - 8 - 3360/1.8=1, 3344/2.9=1 HB3 GLU 88 - HG2 MET 74 lone 7 77 - 9 - 3360/1.8=1 HB3 GLU 48 - HG2 MET 74 lone 5 77 - 6 - 3368/3.4=1 HB2 GLU 98 - HG2 MET 74 lone 2 65 - 3 - HB3 GLU 98 - HG2 MET 74 lone 2 61 - 2 - HB2 GLU 99 - HG2 MET 74 lone 1 61 - 2 - Peak 3353 from cnoeabs.peaks (1.96, 2.53, 33.04 ppm; 3.71 A): 3 out of 11 assignments used, quality = 1.00: * HB3 MET 74 + HG2 MET 74 OK 100 100 - 100 - 2.9=100 HB2 LYS 73 + HG2 MET 74 OK 52 99 - 53 - 4.6/7228=10, 3361/1.8=6...(18) HB3 LYS 73 + HG2 MET 74 OK 52 98 - 53 - 4.6/7228=10, 3361/1.8=6...(18) HB3 ARG 46 - HG2 MET 74 OK 24 100 - 24 - 3369/3.4=5, ~9601=3...(11) HB3 LYS 24 - HG2 MET 74 OK 23 100 - 23 - 3361/1.8=3, 3337/2.9=2...(11) HB2 LYS 24 - HG2 MET 74 OK 23 100 - 23 - 3361/1.8=3, 3337/2.9=2...(11) HB2 GLU 37 - HG2 MET 74 OK 23 77 - 29 - ~10870=6, 4.1/3350=5...(12) HB2 ARG 46 - HG2 MET 74 OK 20 87 - 23 - 3369/3.4=4, ~9601=3...(11) QE MET 1 - HG2 MET 74 OK 11 81 - 14 - 4.2/3356=3, 5.3/9612=2...(4) HB2 LYS 47 - HG2 MET 74 lone 8 98 - 9 - 3369/3.4=1 HG3 GLU 88 - HG2 MET 74 lone 3 61 - 5 - Peak 3354 from cnoeabs.peaks (2.53, 2.53, 33.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 74 + HG2 MET 74 OK 100 100 - 100 Peak 3355 from cnoeabs.peaks (2.62, 2.53, 33.04 ppm; 2.82 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 74 + HG2 MET 74 OK 100 100 - 100 - 1.8=100 HB3 TYR 41 - HG2 MET 74 OK 14 77 - 19 - ~10280=3, 3371/3.4=3...(9) HB3 ASP 77 - HG2 MET 74 OK 13 87 - 15 - 3339/2.9=2, 3347/2.9=2...(7) HB3 ASP 65 - HG2 MET 74 lone 2 65 - 3 - Peak 3356 from cnoeabs.peaks (2.00, 2.53, 33.04 ppm; 3.89 A): 1 out of 7 assignments used, quality = 1.00: * QE MET 74 + HG2 MET 74 OK 100 100 - 100 - 3.4=100 HB3 MET 1 - HG2 MET 74 OK 35 100 - 35 - 3348/2.9=6, 3364/1.8=5...(10) HB2 GLU 35 - HG2 MET 74 OK 31 98 - 32 - 3364/1.8=4, 3348/2.9=4...(12) HB3 GLU 44 - HG2 MET 74 OK 31 100 - 31 - 3348/2.9=5, 3364/1.8=5...(10) HB2 GLU 44 - HG2 MET 74 OK 31 100 - 31 - 3348/2.9=5, 3364/1.8=5...(10) HB3 GLU 17 - HG2 MET 74 OK 20 99 - 20 - 3364/1.8=3, ~10863=3...(8) HB2 GLU 62 - HG2 MET 74 lone 8 81 - 9 - 4.6/7023=1, ~2733=1, 3364/1.8=1 Peak 3357 from cnoeabs.peaks (8.08, 2.53, 33.04 ppm; 6.47 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 75 + HG2 MET 74 OK 100 100 - 100 - 4.8=100 H LYS 39 + HG2 MET 74 OK 82 97 - 84 - ~9609=35, 3373/3.4=16...(16) H LYS 13 + HG2 MET 74 OK 53 100 - 53 - 3341/2.9=8, 3365/1.8=7...(12) H ILE 15 - HG2 MET 74 OK 43 100 - 43 - 3373/3.4=7, 3365/1.8=6...(12) H GLU 17 - HG2 MET 74 OK 36 84 - 42 - ~10863=8, 3365/1.8=5...(11) H SER 102 - HG2 MET 74 lone 5 70 - 8 - 3373/3.4=1, 3365/1.8=1 Peak 3358 from cnoeabs.peaks (7.75, 2.62, 33.04 ppm; 3.78 A): 3 out of 4 assignments used, quality = 0.95: * H MET 74 + HG3 MET 74 OK 87 100 - 87 - 4.8=49, 7228/1.8=21...(15) H GLU 37 + HG3 MET 74 OK 40 99 - 40 - 3350/1.8=9, ~10870=6...(9) H VAL 78 + HG3 MET 74 OK 29 96 - 31 - 7276=6, 3350/1.8=5...(11) H ASN 60 - HG3 MET 74 OK 10 73 - 14 - 3350/1.8=3, 3366/3.4=2...(7) Peak 3359 from cnoeabs.peaks (4.40, 2.62, 33.04 ppm; 4.08 A): 1 out of 6 assignments used, quality = 1.00: * HA MET 74 + HG3 MET 74 OK 100 100 - 100 - 4.0=100 HA MET 21 - HG3 MET 74 OK 28 96 - 29 - 3351/1.8=5, 958/2.9=5...(10) HA ALA 25 - HG3 MET 74 OK 26 92 - 28 - 2.1/9597=6, 3351/1.8=5...(9) HA VAL 32 - HG3 MET 74 OK 21 96 - 22 - 3351/1.8=4, 3.2/10161=3...(8) HA HIS 106 - HG3 MET 74 OK 15 99 - 15 - 3351/1.8=3, 3367/3.4=2...(7) HA GLN 50 - HG3 MET 74 OK 14 99 - 14 - 3351/1.8=3, 3335/2.9=3...(6) Peak 3360 from cnoeabs.peaks (2.06, 2.62, 33.04 ppm; 3.82 A): 1 out of 13 assignments used, quality = 1.00: * HB2 MET 74 + HG3 MET 74 OK 100 100 - 100 - 2.9=100 HB3 LEU 38 - HG3 MET 74 OK 32 92 - 35 - 3352/1.8=5, 3344/2.9=4...(14) HB3 GLU 43 - HG3 MET 74 OK 28 100 - 29 - 3368/3.4=6, ~10280=4...(9) HB2 MET 21 - HG3 MET 74 OK 24 87 - 28 - 3.0/3359=4, 3352/1.8=3...(14) HB3 GLU 35 - HG3 MET 74 OK 17 65 - 27 - 1.8/3364=4, ~3356=3...(10) HB2 GLU 16 - HG3 MET 74 OK 15 84 - 18 - 3352/1.8=2, 3.0/10863=2...(9) HG3 GLU 28 - HG3 MET 74 lone 8 100 - 7 - 3352/1.8=1, 3344/2.9=1 HG2 GLU 28 - HG3 MET 74 lone 8 100 - 7 - 3352/1.8=1, 3344/2.9=1 HB3 GLU 88 - HG3 MET 74 lone 7 77 - 8 - HB3 GLU 48 - HG3 MET 74 lone 4 77 - 6 - 3368/3.4=1 HB2 GLU 98 - HG3 MET 74 lone 2 65 - 2 - HB3 GLU 98 - HG3 MET 74 lone 1 61 - 2 - HB2 GLU 99 - HG3 MET 74 lone 1 61 - 1 - Peak 3361 from cnoeabs.peaks (1.96, 2.62, 33.04 ppm; 3.61 A): 3 out of 11 assignments used, quality = 1.00: * HB3 MET 74 + HG3 MET 74 OK 100 100 - 100 - 2.9=100 HB2 LYS 73 + HG3 MET 74 OK 48 99 - 49 - 4.6/7229=11, 3353/1.8=5...(15) HB3 LYS 73 + HG3 MET 74 OK 48 98 - 49 - 4.6/7229=11, 3353/1.8=5...(15) HB3 ARG 46 - HG3 MET 74 OK 23 100 - 23 - 3369/3.4=4, ~9601=3...(9) HB3 LYS 24 - HG3 MET 74 OK 22 100 - 22 - 3353/1.8=2, 3337/2.9=2...(11) HB2 LYS 24 - HG3 MET 74 OK 22 100 - 22 - 3353/1.8=2, 3337/2.9=2...(11) HB2 GLU 37 - HG3 MET 74 OK 20 77 - 27 - ~10870=5, 4.1/3358=5...(11) HB2 ARG 46 - HG3 MET 74 OK 19 87 - 22 - 3369/3.4=4, ~9601=3...(10) QE MET 1 - HG3 MET 74 OK 11 81 - 13 - 4.2/3364=2, 5.3/10862=2...(4) HB2 LYS 47 - HG3 MET 74 lone 8 98 - 8 - 3369/3.4=1 HG3 GLU 88 - HG3 MET 74 lone 3 61 - 5 - Peak 3362 from cnoeabs.peaks (2.53, 2.62, 33.04 ppm; 2.71 A): 1 out of 5 assignments used, quality = 1.00: * HG2 MET 74 + HG3 MET 74 OK 100 100 - 100 - 1.8=100 HG3 GLN 72 - HG3 MET 74 OK 19 92 - 21 - 3338/2.9=3, 3330/4.0=2...(11) HG3 GLU 63 - HG3 MET 74 OK 12 87 - 14 - 3.8/10235=2, 3370/3.4=1...(7) HG3 GLU 95 - HG3 MET 74 OK 11 100 - 11 - 3338/2.9=2, 3346/2.9=2...(5) HB2 ASP 61 - HG3 MET 74 lone 1 65 - 1 - Peak 3363 from cnoeabs.peaks (2.62, 2.62, 33.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 74 + HG3 MET 74 OK 100 100 - 100 Peak 3364 from cnoeabs.peaks (2.00, 2.62, 33.04 ppm; 3.82 A): 1 out of 7 assignments used, quality = 1.00: * QE MET 74 + HG3 MET 74 OK 100 100 - 100 - 3.4=100 HB3 MET 1 - HG3 MET 74 OK 33 100 - 33 - 3348/2.9=6, 3356/1.8=5...(10) HB3 GLU 44 - HG3 MET 74 OK 31 100 - 31 - 3348/2.9=5, 3356/1.8=4...(10) HB2 GLU 44 - HG3 MET 74 OK 31 100 - 31 - 3348/2.9=5, 3356/1.8=4...(10) HB2 GLU 35 - HG3 MET 74 OK 29 98 - 30 - 3356/1.8=4, 3348/2.9=4...(11) HB3 GLU 17 - HG3 MET 74 OK 20 99 - 20 - 2.9/10863=3, 3356/1.8=3...(8) HB2 GLU 62 - HG3 MET 74 lone 8 81 - 10 - 4.6/10749=3, 3356/1.8=1 Peak 3365 from cnoeabs.peaks (8.08, 2.62, 33.04 ppm; 5.88 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 75 + HG3 MET 74 OK 100 100 - 100 - 4.8=100 H LYS 39 + HG3 MET 74 OK 72 97 - 75 - ~9609=29, 3373/3.4=15...(14) H LYS 13 + HG3 MET 74 OK 48 100 - 48 - 7231/4.8=7, 3341/2.9=6...(11) H ILE 15 - HG3 MET 74 OK 40 100 - 40 - 4.9/9599=7, 3373/3.4=6...(10) H GLU 17 - HG3 MET 74 OK 34 84 - 40 - 2.9/10863=9, 3.6/10863=6...(11) H SER 102 - HG3 MET 74 lone 7 70 - 10 - 3.6/9611=1, 3373/3.4=1 Peak 3366 from cnoeabs.peaks (7.75, 2.00, 17.28 ppm; 4.52 A): 2 out of 4 assignments used, quality = 0.96: * H MET 74 + QE MET 74 OK 90 100 - 90 - 6.0=43, 7229/3.4=24...(18) H GLU 37 + QE MET 74 OK 59 99 - 59 - 3.0/10870=20, 3350/3.4=9...(12) H VAL 78 - QE MET 74 OK 31 96 - 32 - 3358/3.4=6, 3350/3.4=5...(8) H ASN 60 - QE MET 74 OK 18 73 - 25 - 5.7/9429=5, 4.0/10869=4...(8) Peak 3367 from cnoeabs.peaks (4.40, 2.00, 17.28 ppm; 4.23 A): 3 out of 6 assignments used, quality = 0.93: * HA MET 74 + QE MET 74 OK 89 100 - 89 - 5.3=50, 3331/3.4=20...(14) HA ALA 25 + QE MET 74 OK 24 92 - 26 - 2.1/9603=8, 3359/3.4=4...(7) HA MET 21 + QE MET 74 OK 23 96 - 24 - 3351/3.4=4, 3359/3.4=4...(9) HA VAL 32 - QE MET 74 OK 20 96 - 21 - 3351/3.4=3, 3359/3.4=3...(8) HA HIS 106 - QE MET 74 OK 17 99 - 17 - 3.0/9607=6, 3351/3.4=2...(6) HA GLN 50 - QE MET 74 OK 12 99 - 12 - 3351/3.4=2, 3335/4.2=2...(5) Peak 3368 from cnoeabs.peaks (2.06, 2.00, 17.28 ppm; 3.48 A): 6 out of 13 assignments used, quality = 0.94: * HB2 MET 74 + QE MET 74 OK 78 100 - 78 - 4.2=58, 1.8/3348=16...(9) HB3 GLU 43 + QE MET 74 OK 42 100 - 43 - 3.0/10280=10...(8) HB3 LEU 38 + QE MET 74 OK 27 92 - 30 - 3.0/9610=5, 4.6/3373=4...(12) HB3 GLU 35 + QE MET 74 OK 15 65 - 23 - 4.7/9585=4, 3.0/9610=4...(9) HB2 GLU 16 + QE MET 74 OK 12 84 - 14 - 3.0/10282=2, 3.0/10280=2...(7) HB2 MET 21 + QE MET 74 OK 12 87 - 13 - 3.0/3367=3, 3360/3.4=2...(7) HB3 GLU 48 - QE MET 74 lone 8 77 - 10 - 4.0/9589=3, 3.0/10280=2 HG2 GLU 28 - QE MET 74 lone 4 100 - 4 - HG3 GLU 28 - QE MET 74 lone 4 100 - 4 - HB3 GLU 88 - QE MET 74 lone 4 77 - 5 - HB2 GLU 98 - QE MET 74 lone 1 65 - 2 - HB3 GLU 98 - QE MET 74 lone 1 61 - 2 - HB2 GLU 99 - QE MET 74 lone 1 61 - 1 - Peak 3369 from cnoeabs.peaks (1.96, 2.00, 17.28 ppm; 2.40 A): 5 out of 11 assignments used, quality = 0.66: * HB3 MET 74 + QE MET 74 OK 36 100 - 36 - 4.2=19, 1.8/3368=6...(8) HB3 ARG 46 + QE MET 74 OK 16 100 - 16 - 3.6/9608=8, 3.0/9601=4 HB2 LYS 73 + QE MET 74 OK 15 99 - 15 - 4.6/7230=3, 3361/3.4=2...(4) HB3 LYS 73 + QE MET 74 OK 15 98 - 15 - 4.6/7230=3, 3361/3.4=1...(4) HB2 ARG 46 + QE MET 74 OK 13 87 - 16 - 3.6/9608=8, 3.0/9601=4 HB2 GLU 37 - QE MET 74 lone 7 77 - 9 - 3.0/10870=4, 4.1/3366=2 HB3 LYS 24 - QE MET 74 lone 6 100 - 6 - HB2 LYS 24 - QE MET 74 lone 6 100 - 6 - QE MET 1 - QE MET 74 lone 5 81 - 6 - 39=2 HB2 LYS 47 - QE MET 74 lone 4 98 - 4 - HG3 GLU 88 - QE MET 74 lone 1 61 - 1 - Peak 3370 from cnoeabs.peaks (2.53, 2.00, 17.28 ppm; 3.57 A): 1 out of 5 assignments used, quality = 1.00: * HG2 MET 74 + QE MET 74 OK 100 100 - 100 - 3.4=100 HG3 GLN 72 - QE MET 74 OK 24 92 - 26 - 3362/3.4=4, 3338/4.2=4...(11) HG3 GLU 95 - QE MET 74 OK 19 100 - 19 - 4.1/10282=4, 3362/3.4=3...(7) HG3 GLU 63 - QE MET 74 OK 17 87 - 20 - 3.0/9601=5, 3362/3.4=3...(9) HB2 ASP 61 - QE MET 74 lone 2 65 - 3 - Peak 3371 from cnoeabs.peaks (2.62, 2.00, 17.28 ppm; 4.23 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 74 + QE MET 74 OK 100 100 - 100 - 3.4=100 HB3 TYR 41 - QE MET 74 OK 43 77 - 56 - 1.8/10280=20...(12) HB3 ASP 77 - QE MET 74 OK 25 87 - 28 - 3339/4.2=5, 3347/4.2=5...(9) HB3 ASP 65 - QE MET 74 lone 5 65 - 7 - Peak 3372 from cnoeabs.peaks (2.00, 2.00, 17.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 74 + QE MET 74 OK 100 100 - 100 Peak 3373 from cnoeabs.peaks (8.08, 2.00, 17.28 ppm; 4.64 A): 4 out of 6 assignments used, quality = 0.96: H LYS 39 + QE MET 74 OK 78 97 - 81 - 3.0/9609=40, 4.0/9601=16...(23) * H GLU 75 + QE MET 74 OK 57 100 - 57 - 3.6/3367=15, 7239=14...(7) H LYS 13 + QE MET 74 OK 33 100 - 33 - 3365/3.4=3, 7231/6.0=3...(12) H ILE 15 + QE MET 74 OK 32 100 - 32 - 4.9/9605=4, 3.6/593=4...(11) H GLU 17 - QE MET 74 OK 24 84 - 29 - 3.6/10282=4, ~10863=3...(13) H SER 102 - QE MET 74 lone 5 70 - 8 - 3.6/9610=1 Peak 3374 from cnoeabs.peaks (8.08, 4.00, 56.72 ppm; 3.15 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 75 + HA GLU 75 OK 100 100 - 100 - 2.9=100 H LYS 13 - HA GLU 75 OK 23 100 - 23 - 6182/3.5=7, 2.9/9619=4...(8) H ILE 15 - HA GLU 75 OK 17 100 - 17 - 6209/3.5=7, 4.6/3380=2...(4) H LYS 39 - HA GLU 75 lone 8 97 - 8 - 7247/3.5=1, 8954/2.9=1 H GLU 17 - HA GLU 75 lone 6 84 - 7 - 7247/3.5=1 H SER 102 - HA GLU 75 lone 1 70 - 1 - Peak 3375 from cnoeabs.peaks (4.00, 4.00, 56.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 75 + HA GLU 75 OK 100 100 - 100 Peak 3376 from cnoeabs.peaks (2.13, 4.00, 56.72 ppm; 2.93 A): 1 out of 10 assignments used, quality = 1.00: * HB2 GLU 75 + HA GLU 75 OK 100 100 - 100 - 2.9=100 HB2 GLU 69 - HA GLU 75 OK 22 94 - 23 - 3104=3, 3.0/3111=3...(9) HB3 GLU 69 - HA GLU 75 OK 22 94 - 23 - 3104=3, 3.0/3111=3...(9) HG2 GLU 69 - HA GLU 75 OK 17 94 - 18 - 3111=4, 1.8/3118=3...(6) HB2 PRO 86 - HA GLU 75 OK 14 73 - 19 - 2.3/3389=3, ~10953=2...(7) HB3 GLU 37 - HA GLU 75 lone 7 92 - 8 - 7241/2.9=2, 4.1/9625=2 HG2 GLU 88 - HA GLU 75 lone 5 98 - 5 - 3886/3.5=1 HG2 GLU 44 - HA GLU 75 lone 3 100 - 3 - HB3 GLU 23 - HA GLU 75 lone 3 65 - 5 - 3.0/9619=1 HG2 GLU 104 - HA GLU 75 lone 1 87 - 1 - Peak 3377 from cnoeabs.peaks (2.19, 4.00, 56.72 ppm; 3.04 A): 3 out of 11 assignments used, quality = 1.00: * HB3 GLU 75 + HA GLU 75 OK 100 100 - 100 - 2.9=100 HG3 GLU 75 + HA GLU 75 OK 54 77 - 70 - 4.0=42, 1.8/3403=11...(16) HG2 GLU 75 + HA GLU 75 OK 48 70 - 70 - 4.0=42, 1.8/3403=11...(16) HG3 PRO 86 - HA GLU 75 OK 21 98 - 22 - 3389=4, 2.3/3376=2...(9) HB3 GLN 50 - HA GLU 75 lone 7 77 - 9 - 3.0/9624=2, ~9623=1 HG2 MET 1 - HA GLU 75 lone 5 94 - 6 - 4.2/9619=1, ~7239=1 HG2 GLU 35 - HA GLU 75 lone 4 97 - 4 - HG3 GLU 35 - HA GLU 75 lone 4 97 - 4 - HB2 GLU 63 - HA GLU 75 lone 3 96 - 3 - HB2 GLU 95 - HA GLU 75 lone 3 77 - 4 - HG2 GLU 43 - HA GLU 75 lone 3 100 - 3 - Peak 3378 from cnoeabs.peaks (2.17, 4.00, 56.72 ppm; 2.83 A): 3 out of 9 assignments used, quality = 0.96: HB3 GLU 75 + HA GLU 75 OK 66 70 - 95 - 2.9=91, 4.1/7248=11...(16) * HG2 GLU 75 + HA GLU 75 OK 64 100 - 64 - 4.0=34, 3397/2.9=9...(16) HG3 GLU 75 + HA GLU 75 OK 64 100 - 64 - 4.0=34, 3404/2.9=9...(16) HB2 GLN 72 - HA GLU 75 OK 34 94 - 36 - 1.8/9559=7, 3.0/9619=6...(13) HB3 GLN 50 - HA GLU 75 lone 9 100 - 9 - 3.0/9624=2, ~9623=1 HB3 GLU 16 - HA GLU 75 lone 8 97 - 9 - 710/2.9=1, 7251/3.5=1 HB3 GLU 95 - HA GLU 75 lone 3 81 - 4 - HB3 GLU 23 - HA GLU 75 lone 3 61 - 5 - 3.0/9619=1 HG2 GLU 43 - HA GLU 75 lone 1 73 - 2 - Peak 3379 from cnoeabs.peaks (2.17, 4.00, 56.72 ppm; 2.83 A): 3 out of 8 assignments used, quality = 0.96: HB3 GLU 75 + HA GLU 75 OK 73 77 - 95 - 2.9=91, 4.1/7248=11...(16) HG2 GLU 75 + HA GLU 75 OK 64 100 - 64 - 4.0=34, 3397/2.9=9...(16) * HG3 GLU 75 + HA GLU 75 OK 64 100 - 64 - 4.0=34, 3404/2.9=9...(16) HB2 GLN 72 - HA GLU 75 OK 32 90 - 36 - 1.8/9559=7, 3.0/9619=6...(13) HB3 GLN 50 - HA GLU 75 lone 9 100 - 9 - 3.0/9624=2, ~9623=1 HB3 GLU 16 - HA GLU 75 lone 8 94 - 8 - 710/2.9=1, 7251/3.5=1 HB3 GLU 95 - HA GLU 75 lone 3 73 - 4 - HG2 GLU 43 - HA GLU 75 lone 2 81 - 2 - Peak 3380 from cnoeabs.peaks (7.56, 4.00, 56.72 ppm; 3.37 A): 2 out of 4 assignments used, quality = 0.93: * H ILE 76 + HA GLU 75 OK 91 100 - 91 - 3.5=86, 7245/2.9=14...(7) H LEU 14 + HA GLU 75 OK 23 96 - 24 - 7245/2.9=6, 3.6/9619=4...(9) H GLU 88 - HA GLU 75 lone 8 90 - 8 - 7245/2.9=2, 3387/2.9=2 H LYS 24 - HA GLU 75 lone 7 84 - 8 - 7245/2.9=2, 3.6/9619=2 Peak 3381 from cnoeabs.peaks (8.08, 2.13, 27.12 ppm; 4.46 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 75 + HB2 GLU 75 OK 100 100 - 100 - 4.0=100 H LYS 13 - HB2 GLU 75 OK 37 100 - 37 - 6182/4.1=11, 3374/2.9=6...(10) H ILE 15 - HB2 GLU 75 OK 27 100 - 27 - 6209/4.1=11, 3374/2.9=5...(6) H LYS 39 - HB2 GLU 75 OK 12 97 - 12 - 8954/1.8=3, 7247/4.1=2...(5) H GLU 17 - HB2 GLU 75 lone 8 84 - 10 - 7247/4.1=2, 3374/2.9=2...(5) H SER 102 - HB2 GLU 75 lone 2 70 - 3 - Peak 3382 from cnoeabs.peaks (4.00, 2.13, 27.12 ppm; 3.62 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 75 + HB2 GLU 75 OK 100 100 - 100 - 2.9=100 HA GLU 69 - HB2 GLU 75 OK 24 98 - 25 - 3389/1.8=5, 7240/4.0=3...(9) HA LEU 70 - HB2 GLU 75 poor 6 61 - 10 - 3389/1.8=1, 7248/4.1=1, ~7144=1 HB3 SER 97 - HB2 GLU 75 lone 1 70 - 2 - Peak 3383 from cnoeabs.peaks (2.13, 2.13, 27.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 75 + HB2 GLU 75 OK 100 100 - 100 Peak 3384 from cnoeabs.peaks (2.19, 2.13, 27.12 ppm; 2.49 A): 3 out of 11 assignments used, quality = 1.00: * HB3 GLU 75 + HB2 GLU 75 OK 100 100 - 100 - 1.8=100 HG3 GLU 75 + HB2 GLU 75 OK 53 77 - 69 - 3.0=56, 1.8/3397=11...(12) HG2 GLU 75 + HB2 GLU 75 OK 48 70 - 69 - 3.0=56, 1.8/3404=11...(12) HG3 PRO 86 - HB2 GLU 75 OK 14 98 - 15 - 3390=2, 3389/2.9=2...(5) HB3 GLN 50 - HB2 GLU 75 lone 4 77 - 5 - HG2 MET 1 - HB2 GLU 75 lone 2 94 - 2 - HB2 GLU 63 - HB2 GLU 75 lone 2 96 - 2 - HG2 GLU 35 - HB2 GLU 75 lone 1 97 - 1 - HG3 GLU 35 - HB2 GLU 75 lone 1 97 - 1 - HG2 GLU 43 - HB2 GLU 75 lone 1 100 - 1 - HB2 GLU 95 - HB2 GLU 75 lone 1 77 - 2 - Peak 3385 from cnoeabs.peaks (2.17, 2.13, 27.12 ppm; 2.40 A): 3 out of 9 assignments used, quality = 0.96: HB3 GLU 75 + HB2 GLU 75 OK 70 70 - 100 - 1.8=100 * HG2 GLU 75 + HB2 GLU 75 OK 65 100 - 65 - 3.0=51, 1.8/3404=10...(12) HG3 GLU 75 + HB2 GLU 75 OK 65 100 - 65 - 3.0=51, 1.8/3397=10...(12) HB2 GLN 72 - HB2 GLU 75 OK 11 94 - 11 - 9560/2.9=3, ~9559=2...(5) HB3 GLN 50 - HB2 GLU 75 lone 5 100 - 5 - HB3 GLU 16 - HB2 GLU 75 lone 3 97 - 3 - HB3 GLU 23 - HB2 GLU 75 lone 1 61 - 2 - HB3 GLU 95 - HB2 GLU 75 lone 1 81 - 1 - HG2 GLU 43 - HB2 GLU 75 lone 1 73 - 1 - Peak 3386 from cnoeabs.peaks (2.17, 2.13, 27.12 ppm; 2.40 A): 3 out of 8 assignments used, quality = 0.97: HB3 GLU 75 + HB2 GLU 75 OK 77 77 - 100 - 1.8=100 * HG3 GLU 75 + HB2 GLU 75 OK 65 100 - 65 - 3.0=51, 1.8/3397=10...(12) HG2 GLU 75 + HB2 GLU 75 OK 65 100 - 65 - 3.0=51, 1.8/3404=10...(12) HB2 GLN 72 - HB2 GLU 75 poor 10 90 - 11 - 9560/2.9=2, ~9559=2...(5) HB3 GLN 50 - HB2 GLU 75 lone 5 100 - 5 - HB3 GLU 16 - HB2 GLU 75 lone 3 94 - 3 - HB3 GLU 95 - HB2 GLU 75 lone 1 73 - 1 - HG2 GLU 43 - HB2 GLU 75 lone 1 81 - 1 - Peak 3387 from cnoeabs.peaks (7.56, 2.13, 27.12 ppm; 5.43 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 76 + HB2 GLU 75 OK 100 100 - 100 - 4.1=100 H LEU 14 - HB2 GLU 75 OK 40 96 - 42 - 7245/4.0=11, 3380/2.9=9...(8) H GLU 88 - HB2 GLU 75 OK 23 90 - 25 - 3394/1.8=3, 7245/4.0=3...(12) H LYS 24 - HB2 GLU 75 OK 14 84 - 16 - 7245/4.0=3, 3380/2.9=3...(6) Peak 3388 from cnoeabs.peaks (8.08, 2.19, 27.12 ppm; 4.32 A): 1 out of 12 assignments used, quality = 1.00: * H GLU 75 + HB3 GLU 75 OK 100 100 - 100 - 4.0=100 H LYS 13 - HB3 GLU 75 OK 37 100 - 37 - 6182/4.1=10, 3381/1.8=7...(9) H ILE 15 - HB3 GLU 75 OK 30 100 - 30 - 6209/4.1=11, 3381/1.8=5...(9) H ILE 15 - HG3 PRO 86 OK 21 76 - 27 - 10953/2.3=8, 4.4/12221=5...(6) H GLU 75 - HG3 PRO 86 OK 19 77 - 24 - 10953/2.3=6, 2.9/3389=4...(8) H LYS 39 - HB3 GLU 75 OK 17 97 - 17 - 3381/1.8=2, 7247/4.1=2...(8) H LYS 13 - HG3 PRO 86 OK 12 77 - 16 - 10953/2.3=5, 4.6/3394=2...(4) H GLU 17 - HB3 GLU 75 lone 8 84 - 10 - 7247/4.1=2, 3381/1.8=2 H LYS 39 - HG3 PRO 86 lone 5 71 - 7 - 10953/2.3=1 H GLU 17 - HG3 PRO 86 lone 3 58 - 6 - 10953/2.3=2 H SER 102 - HB3 GLU 75 lone 2 70 - 3 - H SER 102 - HG3 PRO 86 lone 1 46 - 3 - 10953/2.3=2 Peak 3389 from cnoeabs.peaks (4.00, 2.19, 27.12 ppm; 3.35 A): 1 out of 8 assignments used, quality = 1.00: * HA GLU 75 + HB3 GLU 75 OK 100 100 - 100 - 2.9=100 HA GLU 69 - HB3 GLU 75 OK 22 98 - 23 - 3382/1.8=6, 7240/4.0=3...(9) HA GLU 75 - HG3 PRO 86 OK 19 77 - 24 - 3377=4, 3376/2.3=3...(9) HA GLU 69 - HG3 PRO 86 OK 11 73 - 15 - ~10802=2, 3090/2.3=2...(5) HA LEU 70 - HB3 GLU 75 lone 6 61 - 10 - 3382/1.8=2, 7248/4.1=1 HA LEU 70 - HG3 PRO 86 poor 6 40 - 15 - ~3150=2, 4.0/9548=2...(6) HB3 SER 97 - HG3 PRO 86 lone 2 46 - 3 - ~4353=1 HB3 SER 97 - HB3 GLU 75 lone 1 70 - 2 - Peak 3390 from cnoeabs.peaks (2.13, 2.19, 27.12 ppm; 2.40 A): 2 out of 20 assignments used, quality = 1.00: * HB2 GLU 75 + HB3 GLU 75 OK 100 100 - 100 - 1.8=100 HB2 PRO 86 + HG3 PRO 86 OK 49 49 - 100 - 2.3=100 HB2 GLU 69 - HB3 GLU 75 OK 11 94 - 12 - 3376/2.9=2, 3.0/3389=2, ~3382=1 HB3 GLU 69 - HB3 GLU 75 OK 11 94 - 12 - 3376/2.9=2, 3.0/3389=2, ~3382=1 HB2 PRO 86 - HB3 GLU 75 OK 11 73 - 14 - 1.8/3827=3, 2.3/3835=1...(6) HB2 GLU 75 - HG3 PRO 86 poor 10 77 - 13 - 3384=3, 2.9/3389=1...(5) HB3 GLU 69 - HG3 PRO 86 poor 10 67 - 14 - 10802/1.8=2, ~10802=2 HB2 GLU 69 - HG3 PRO 86 poor 10 67 - 14 - 10802/1.8=2, ~10802=2 HG2 GLU 69 - HB3 GLU 75 lone 7 94 - 8 - 3111/2.9=2, 4.1/3389=1 HG2 GLU 69 - HG3 PRO 86 lone 5 67 - 8 - 3111/2.3=1, 3111/2.3=1, ~10802=1 HG2 GLU 88 - HB3 GLU 75 lone 3 98 - 3 - HB3 GLU 37 - HB3 GLU 75 lone 3 92 - 3 - HB3 GLU 37 - HG3 PRO 86 lone 2 65 - 2 - HB3 GLU 23 - HB3 GLU 75 lone 1 65 - 2 - HG2 GLU 44 - HB3 GLU 75 lone 1 100 - 1 - HG2 GLU 44 - HG3 PRO 86 lone 1 77 - 1 - HG2 GLU 88 - HG3 PRO 86 lone 1 73 - 1 - HB3 GLU 23 - HG3 PRO 86 lone 1 43 - 1 - HG2 GLU 104 - HB3 GLU 75 lone 1 87 - 1 - HG2 GLU 104 - HG3 PRO 86 lone 1 60 - 1 - Peak 3391 from cnoeabs.peaks (2.19, 2.19, 27.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 75 + HB3 GLU 75 OK 100 100 - 100 HG3 PRO 86 + HG3 PRO 86 OK 73 73 - 100 Peak 3392 from cnoeabs.peaks (2.17, 2.19, 27.12 ppm; diagonal): 1 out of 1 assignment used, quality = 0.70: HB3 GLU 75 + HB3 GLU 75 OK 70 70 - 100 Reference assignment not found: HG2 GLU 75 - HB3 GLU 75 Peak 3393 from cnoeabs.peaks (2.17, 2.19, 27.12 ppm; diagonal): 1 out of 1 assignment used, quality = 0.77: HB3 GLU 75 + HB3 GLU 75 OK 77 77 - 100 Reference assignment not found: HG3 GLU 75 - HB3 GLU 75 Peak 3394 from cnoeabs.peaks (7.56, 2.19, 27.12 ppm; 5.05 A): 1 out of 8 assignments used, quality = 1.00: * H ILE 76 + HB3 GLU 75 OK 100 100 - 100 - 4.1=100 H LEU 14 - HB3 GLU 75 OK 41 96 - 43 - 7245/4.0=10, 3380/2.9=8...(10) H LEU 14 - HG3 PRO 86 OK 40 69 - 57 - 9853/3.8=11, 9856/2.3=10...(13) H GLU 88 - HG3 PRO 86 OK 29 63 - 46 - 4.5/7380=14, 9856/2.3=7...(12) H LYS 24 - HG3 PRO 86 OK 26 58 - 46 - 9856/2.3=6, ~3823=6...(16) H ILE 76 - HG3 PRO 86 OK 26 77 - 34 - 9856/2.3=5, 9853/3.8=5...(9) H GLU 88 - HB3 GLU 75 OK 22 90 - 25 - 3387/1.8=5, 4.5/7380=5...(7) H LYS 24 - HB3 GLU 75 OK 14 84 - 16 - 3387/1.8=3, 7245/4.0=3...(5) Peak 3395 from cnoeabs.peaks (8.08, 2.17, 36.71 ppm; 4.21 A): 2 out of 12 assignments used, quality = 0.98: * H GLU 75 + HG2 GLU 75 OK 87 100 - 87 - 5.0=58, 7241/3.0=17...(13) H GLU 75 + HG3 GLU 75 OK 86 99 - 87 - 5.0=58, 7241/3.0=17...(13) H LYS 13 - HG2 GLU 75 OK 24 100 - 24 - 3381/3.0=6, 3374/4.0=5...(8) H LYS 13 - HG3 GLU 75 OK 23 99 - 24 - 3381/3.0=6, 3374/4.0=5...(8) H ILE 15 - HG2 GLU 75 OK 17 100 - 17 - 3381/3.0=4, 3388/3.0=3...(5) H ILE 15 - HG3 GLU 75 OK 16 99 - 17 - 3381/3.0=4, 3388/3.0=3...(5) H LYS 39 - HG2 GLU 75 lone 9 97 - 9 - 8954/3.0=2, 3381/3.0=2 H LYS 39 - HG3 GLU 75 lone 9 96 - 9 - 8954/3.0=2, 3381/3.0=2 H GLU 17 - HG2 GLU 75 poor 9 84 - 10 - 3381/3.0=1, 6251=1...(4) H GLU 17 - HG3 GLU 75 lone 8 82 - 10 - 3381/3.0=1, 3374/4.0=1...(4) H SER 102 - HG2 GLU 75 lone 1 70 - 2 - H SER 102 - HG3 GLU 75 lone 1 68 - 2 - Peak 3396 from cnoeabs.peaks (4.00, 2.17, 36.71 ppm; 3.64 A): 2 out of 8 assignments used, quality = 0.99: * HA GLU 75 + HG2 GLU 75 OK 92 100 - 92 - 4.0=73, 2.9/3397=14...(17) HA GLU 75 + HG3 GLU 75 OK 91 99 - 91 - 4.0=73, 2.9/3397=14...(17) HA GLU 69 - HG2 GLU 75 OK 20 98 - 20 - 3382/3.0=5, 3389/3.0=4...(5) HA GLU 69 - HG3 GLU 75 OK 19 97 - 20 - 3382/3.0=5, 3389/3.0=4...(5) HA LEU 70 - HG2 GLU 75 lone 4 61 - 6 - 3382/3.0=1, 3389/3.0=1 HA LEU 70 - HG3 GLU 75 lone 4 60 - 6 - 3382/3.0=1, 3389/3.0=1 HB3 SER 97 - HG2 GLU 75 lone 1 70 - 1 - HB3 SER 97 - HG3 GLU 75 lone 1 68 - 1 - Peak 3397 from cnoeabs.peaks (2.13, 2.17, 36.71 ppm; 2.40 A): 2 out of 20 assignments used, quality = 0.87: * HB2 GLU 75 + HG2 GLU 75 OK 64 100 - 64 - 3.0=51, 3385/1.8=9...(12) HB2 GLU 75 + HG3 GLU 75 OK 64 99 - 64 - 3.0=51, 3385/1.8=9...(12) HB3 GLU 69 - HG2 GLU 75 lone 7 94 - 7 - 3376/4.0=1 HB2 GLU 69 - HG2 GLU 75 lone 7 94 - 7 - 3376/4.0=1 HB2 GLU 69 - HG3 GLU 75 lone 7 92 - 7 - 3376/4.0=1 HB3 GLU 69 - HG3 GLU 75 lone 7 92 - 7 - 3376/4.0=1 HB2 PRO 86 - HG2 GLU 75 lone 5 73 - 7 - HB2 PRO 86 - HG3 GLU 75 lone 5 71 - 7 - HG2 GLU 69 - HG2 GLU 75 lone 5 94 - 5 - 3111/4.0=1 HG2 GLU 69 - HG3 GLU 75 lone 4 92 - 5 - 3111/4.0=1 HG2 GLU 88 - HG2 GLU 75 lone 2 98 - 2 - HG2 GLU 88 - HG3 GLU 75 lone 2 97 - 2 - HB3 GLU 37 - HG2 GLU 75 lone 1 92 - 2 - HB3 GLU 37 - HG3 GLU 75 lone 1 90 - 2 - HG2 GLU 44 - HG3 GLU 75 lone 1 99 - 1 - HG2 GLU 44 - HG2 GLU 75 lone 1 100 - 1 - HB3 GLU 23 - HG2 GLU 75 lone 1 65 - 1 - HB3 GLU 23 - HG3 GLU 75 lone 1 64 - 1 - HG2 GLU 104 - HG2 GLU 75 lone 0 87 - 0 - HG2 GLU 104 - HG3 GLU 75 lone 0 85 - 0 - Peak 3398 from cnoeabs.peaks (2.19, 2.17, 36.71 ppm; diagonal): 2 out of 2 assignments used, quality = 0.92: HG3 GLU 75 + HG3 GLU 75 OK 75 75 - 100 HG2 GLU 75 + HG2 GLU 75 OK 70 70 - 100 Reference assignment not found: HB3 GLU 75 - HG2 GLU 75 Peak 3399 from cnoeabs.peaks (2.17, 2.17, 36.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 75 + HG2 GLU 75 OK 100 100 - 100 HG3 GLU 75 + HG3 GLU 75 OK 99 99 - 100 Peak 3400 from cnoeabs.peaks (2.17, 2.17, 36.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG2 GLU 75 + HG2 GLU 75 OK 100 100 - 100 HG3 GLU 75 + HG3 GLU 75 OK 99 99 - 100 Reference assignment not found: HG3 GLU 75 - HG2 GLU 75 Peak 3401 from cnoeabs.peaks (7.56, 2.17, 36.71 ppm; 4.28 A): 6 out of 8 assignments used, quality = 0.94: * H ILE 76 + HG2 GLU 75 OK 64 100 - 64 - 7248/4.0=26, 7249/3.0=17...(6) H ILE 76 + HG3 GLU 75 OK 64 99 - 64 - 7248/4.0=26, 7249/3.0=17...(6) H LEU 14 + HG2 GLU 75 OK 24 96 - 25 - 7245/5.0=6, 3380/4.0=5...(8) H LEU 14 + HG3 GLU 75 OK 23 94 - 25 - 7245/5.0=6, 3380/4.0=5...(8) H GLU 88 + HG2 GLU 75 OK 11 90 - 12 - 3387/3.0=3, 3380/4.0=2...(4) H GLU 88 + HG3 GLU 75 OK 11 88 - 12 - 3387/3.0=3, 3380/4.0=2...(4) H LYS 24 - HG2 GLU 75 lone 7 84 - 9 - 3387/3.0=2, 7245/5.0=2...(4) H LYS 24 - HG3 GLU 75 lone 7 82 - 9 - 3387/3.0=2, 7245/5.0=2...(4) Peak 3402 from cnoeabs.peaks (8.08, 2.17, 36.71 ppm; 4.07 A): 2 out of 12 assignments used, quality = 0.97: * H GLU 75 + HG3 GLU 75 OK 84 100 - 84 - 5.0=53, 7241/3.0=16...(13) H GLU 75 + HG2 GLU 75 OK 84 99 - 84 - 5.0=53, 7241/3.0=16...(13) H LYS 13 - HG3 GLU 75 OK 22 100 - 22 - 3381/3.0=5, 3374/4.0=4...(8) H LYS 13 - HG2 GLU 75 OK 22 99 - 22 - 3381/3.0=5, 3374/4.0=4...(8) H ILE 15 - HG3 GLU 75 OK 15 100 - 16 - 3381/3.0=4, 3374/4.0=3...(5) H ILE 15 - HG2 GLU 75 OK 15 99 - 16 - 3381/3.0=4, 3374/4.0=3...(5) H LYS 39 - HG3 GLU 75 lone 8 97 - 9 - 8954/3.0=2, 3381/3.0=2 H LYS 39 - HG2 GLU 75 lone 8 96 - 8 - 8954/3.0=2, 3381/3.0=2 H GLU 17 - HG3 GLU 75 lone 8 84 - 9 - 3381/3.0=1, 6251/1.8=1...(4) H GLU 17 - HG2 GLU 75 lone 8 82 - 9 - 3381/3.0=1, 6251=1...(4) H SER 102 - HG3 GLU 75 lone 1 70 - 2 - H SER 102 - HG2 GLU 75 lone 1 68 - 2 - Peak 3403 from cnoeabs.peaks (4.00, 2.17, 36.71 ppm; 3.55 A): 2 out of 8 assignments used, quality = 0.99: * HA GLU 75 + HG3 GLU 75 OK 89 100 - 89 - 4.0=67, 2.9/3404=13...(17) HA GLU 75 + HG2 GLU 75 OK 89 99 - 89 - 4.0=67, 2.9/3404=13...(17) HA GLU 69 - HG3 GLU 75 OK 18 98 - 19 - 3382/3.0=5, 3389/3.0=4...(5) HA GLU 69 - HG2 GLU 75 OK 18 97 - 19 - 3382/3.0=5, 3389/3.0=4...(5) HA LEU 70 - HG3 GLU 75 lone 4 61 - 6 - 3382/3.0=1, 3389/3.0=1 HA LEU 70 - HG2 GLU 75 lone 4 60 - 6 - 3382/3.0=1, 3389/3.0=1 HB3 SER 97 - HG3 GLU 75 lone 1 70 - 1 - HB3 SER 97 - HG2 GLU 75 lone 1 68 - 1 - Peak 3404 from cnoeabs.peaks (2.13, 2.17, 36.71 ppm; 2.40 A): 2 out of 20 assignments used, quality = 0.87: * HB2 GLU 75 + HG3 GLU 75 OK 64 100 - 64 - 3.0=51, 3385/1.8=9...(12) HB2 GLU 75 + HG2 GLU 75 OK 64 99 - 64 - 3.0=51, 3385/1.8=9...(12) HB2 GLU 69 - HG3 GLU 75 lone 7 94 - 7 - 3376/4.0=1 HB3 GLU 69 - HG3 GLU 75 lone 7 94 - 7 - 3376/4.0=1 HB2 GLU 69 - HG2 GLU 75 lone 7 92 - 7 - 3376/4.0=1 HB3 GLU 69 - HG2 GLU 75 lone 7 92 - 7 - 3376/4.0=1 HB2 PRO 86 - HG3 GLU 75 lone 5 73 - 7 - HB2 PRO 86 - HG2 GLU 75 lone 5 71 - 7 - HG2 GLU 69 - HG3 GLU 75 lone 4 94 - 5 - 3111/4.0=1 HG2 GLU 69 - HG2 GLU 75 lone 4 92 - 5 - 3111/4.0=1 HG2 GLU 88 - HG3 GLU 75 lone 2 98 - 2 - HG2 GLU 88 - HG2 GLU 75 lone 2 97 - 2 - HB3 GLU 37 - HG3 GLU 75 lone 2 92 - 2 - HB3 GLU 37 - HG2 GLU 75 lone 1 90 - 2 - HG2 GLU 44 - HG3 GLU 75 lone 1 100 - 1 - HG2 GLU 44 - HG2 GLU 75 lone 1 99 - 1 - HB3 GLU 23 - HG3 GLU 75 lone 1 65 - 1 - HB3 GLU 23 - HG2 GLU 75 lone 1 64 - 1 - HG2 GLU 104 - HG3 GLU 75 lone 0 87 - 0 - HG2 GLU 104 - HG2 GLU 75 lone 0 85 - 0 - Peak 3405 from cnoeabs.peaks (2.19, 2.17, 36.71 ppm; diagonal): 2 out of 2 assignments used, quality = 0.93: HG3 GLU 75 + HG3 GLU 75 OK 77 77 - 100 HG2 GLU 75 + HG2 GLU 75 OK 68 68 - 100 Reference assignment not found: HB3 GLU 75 - HG3 GLU 75 Peak 3406 from cnoeabs.peaks (2.17, 2.17, 36.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 75 + HG3 GLU 75 OK 100 100 - 100 HG2 GLU 75 + HG2 GLU 75 OK 99 99 - 100 Reference assignment not found: HG2 GLU 75 - HG3 GLU 75 Peak 3407 from cnoeabs.peaks (2.17, 2.17, 36.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 75 + HG3 GLU 75 OK 100 100 - 100 HG2 GLU 75 + HG2 GLU 75 OK 99 99 - 100 Peak 3408 from cnoeabs.peaks (7.56, 2.17, 36.71 ppm; 4.67 A): 4 out of 8 assignments used, quality = 0.95: * H ILE 76 + HG3 GLU 75 OK 69 100 - 69 - 7248/4.0=30, 7249/3.0=19...(7) H ILE 76 + HG2 GLU 75 OK 69 99 - 69 - 7248/4.0=30, 7249/3.0=19...(7) H LEU 14 + HG3 GLU 75 OK 28 96 - 29 - 7245/5.0=7, 3380/4.0=6...(8) H LEU 14 + HG2 GLU 75 OK 27 94 - 29 - 7245/5.0=7, 3380/4.0=6...(8) H GLU 88 - HG3 GLU 75 OK 13 90 - 14 - 3387/3.0=3, 3394/3.0=2...(5) H GLU 88 - HG2 GLU 75 OK 13 88 - 14 - 3387/3.0=3, 3394/3.0=2...(5) H LYS 24 - HG3 GLU 75 poor 9 84 - 10 - 3387/3.0=2, 7245/5.0=2...(4) H LYS 24 - HG2 GLU 75 poor 9 82 - 10 - 3387/3.0=2, 7245/5.0=2...(4) Peak 3409 from cnoeabs.peaks (7.56, 4.43, 58.48 ppm; 3.96 A): 1 out of 8 assignments used, quality = 1.00: * H ILE 76 + HA ILE 76 OK 100 100 - 100 - 3.0=100 H ILE 76 - HA SER 9 OK 40 87 - 47 - 7253=10, 4.0/3418=6...(13) H LEU 14 - HA ILE 76 OK 33 96 - 35 - 3425/3.2=7, 3417/3.0=6...(8) H GLU 88 - HA ILE 76 OK 19 90 - 21 - 3417/3.0=4, 3433/3.8=4...(7) H LYS 24 - HA ILE 76 OK 15 84 - 17 - 3417/3.0=3, 3433/3.8=2...(7) H LEU 14 - HA SER 9 OK 14 80 - 18 - 12269/3.0=6...(3) H GLU 88 - HA SER 9 lone 2 73 - 3 - H LYS 24 - HA SER 9 lone 2 67 - 3 - Peak 3410 from cnoeabs.peaks (4.43, 4.43, 58.48 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ILE 76 + HA ILE 76 OK 100 100 - 100 HA SER 9 + HA SER 9 OK 87 87 - 100 Peak 3411 from cnoeabs.peaks (1.64, 4.43, 58.48 ppm; 3.81 A): 2 out of 20 assignments used, quality = 1.00: * HB ILE 76 + HA ILE 76 OK 100 100 - 100 - 3.0=100 HB ILE 76 + HA SER 9 OK 54 87 - 62 - 3418=13, 2.1/3426=9...(21) HD3 LYS 39 - HA ILE 76 OK 34 100 - 34 - 1740/3.8=5, 3427/3.2=5...(12) HD2 LYS 39 - HA ILE 76 OK 28 92 - 31 - 3427/3.2=4, 3435/3.8=4...(12) HB2 LYS 40 - HA SER 9 OK 19 87 - 22 - 1793/2.9=5, ~1805=3...(8) HB3 LEU 6 - HA ILE 76 OK 18 99 - 18 - 3427/3.2=2, 3435/3.8=2...(11) HB2 LYS 40 - HA ILE 76 OK 12 100 - 12 - 3427/3.2=2, 3451/4.2=1...(5) HG2 LYS 68 - HA ILE 76 OK 12 100 - 12 - 7254/3.0=2, 3427/3.2=2...(6) HD3 LYS 68 - HA ILE 76 OK 10 97 - 10 - 3427/3.2=1, 3435/3.8=1...(5) HD2 LYS 68 - HA ILE 76 OK 10 96 - 10 - 3427/3.2=1, 3435/3.8=1...(4) HB3 ARG 79 - HA ILE 76 lone 5 92 - 6 - HB3 LEU 6 - HA SER 9 lone 3 85 - 4 - HD3 LYS 39 - HA SER 9 lone 3 86 - 4 - HD2 LYS 94 - HA ILE 76 lone 3 57 - 5 - HD2 LYS 39 - HA SER 9 lone 3 75 - 4 - HG2 LYS 68 - HA SER 9 lone 2 87 - 2 - HD3 LYS 68 - HA SER 9 lone 2 81 - 2 - HD2 LYS 68 - HA SER 9 lone 2 80 - 2 - HB3 ARG 79 - HA SER 9 lone 1 75 - 1 - HD2 LYS 94 - HA SER 9 lone 1 44 - 2 - Peak 3412 from cnoeabs.peaks (0.88, 4.43, 58.48 ppm; 3.53 A): 4 out of 10 assignments used, quality = 1.00: * QG2 ILE 76 + HA ILE 76 OK 100 100 - 100 - 3.2=100 QG2 ILE 76 + HA SER 9 OK 50 87 - 57 - 3426=12, 2.1/3418=8...(21) HG13 ILE 7 + HA SER 9 OK 50 75 - 66 - ~8331=9, ~8325=9...(20) HG13 ILE 8 + HA SER 9 OK 46 85 - 54 - 6106/2.9=9, 8322/3.0=5...(18) HG13 ILE 8 - HA ILE 76 OK 43 99 - 43 - 3420/3.0=5, 7255/3.0=4...(18) HG13 ILE 7 - HA ILE 76 OK 40 92 - 44 - 3420/3.0=6, 7255/3.0=5...(19) QD1 LEU 2 - HA ILE 76 OK 35 100 - 35 - 3420/3.0=5, 3452/4.2=4...(14) QD1 LEU 2 - HA SER 9 OK 10 87 - 12 - 6106/2.9=2, 8322/3.0=1 QD1 LEU 103 - HA ILE 76 lone 1 61 - 2 - QD1 LEU 103 - HA SER 9 lone 0 47 - 1 - Peak 3413 from cnoeabs.peaks (1.09, 4.43, 58.48 ppm; 4.60 A): 3 out of 4 assignments used, quality = 1.00: * HG12 ILE 76 + HA ILE 76 OK 100 100 - 100 - 3.8=100 HG12 ILE 76 + HA SER 9 OK 56 87 - 65 - 3434=13, 2.1/3450=10...(15) HG2 ARG 91 + HA ILE 76 OK 50 90 - 56 - 3421/3.0=13, 3429/3.2=13...(11) HG2 ARG 91 - HA SER 9 lone 6 73 - 8 - 3421/3418=1, 3429/3426=1 Peak 3414 from cnoeabs.peaks (1.44, 4.43, 58.48 ppm; 4.29 A): 3 out of 18 assignments used, quality = 1.00: * HG13 ILE 76 + HA ILE 76 OK 100 100 - 100 - 3.8=100 HG12 ILE 7 + HA SER 9 OK 58 70 - 82 - ~8331=15, ~8325=15...(23) HG13 ILE 76 + HA SER 9 OK 53 87 - 61 - 3442=10, 1.8/3434=10...(14) HG12 ILE 7 - HA ILE 76 OK 45 87 - 52 - 3422/3.0=6, 3430/3.2=6...(18) HG3 LYS 39 - HA ILE 76 OK 38 99 - 39 - 3422/3.0=5, 3430/3.2=5...(13) QB ALA 22 - HA ILE 76 OK 32 100 - 32 - ~9648=6, ~9649=5...(11) HG3 ARG 91 - HA ILE 76 OK 31 73 - 42 - 1.8/3413=8, ~3421=8...(11) HG2 LYS 13 - HA ILE 76 OK 30 98 - 30 - 527/3.0=8, ~538=4...(12) HG LEU 29 - HA ILE 76 OK 25 100 - 25 - 3445/3.8=5, 3422/3.0=4...(7) QB ALA 22 - HA SER 9 OK 12 87 - 14 - 8587/2.9=7, 8321/3.0=2, ~6101=1 HG2 LYS 12 - HA ILE 76 OK 11 94 - 12 - 7257/3.0=2, 3430/3.2=1...(4) HG2 LYS 12 - HA SER 9 poor 8 77 - 10 - 423/3.0=2, ~8320=2...(4) HG2 LYS 13 - HA SER 9 lone 8 83 - 9 - 8321/3.0=2, ~10616=1 HG LEU 29 - HA SER 9 lone 6 87 - 7 - HG3 LYS 39 - HA SER 9 lone 5 84 - 6 - HB2 LEU 38 - HA ILE 76 lone 4 61 - 7 - ~9645=1 HG3 ARG 91 - HA SER 9 lone 2 58 - 4 - HB2 LEU 38 - HA SER 9 lone 1 47 - 3 - ~1623=1 Peak 3415 from cnoeabs.peaks (0.80, 4.43, 58.48 ppm; 3.61 A): 3 out of 16 assignments used, quality = 0.97: * QD1 ILE 76 + HA ILE 76 OK 87 100 - 87 - 4.2=65, 3452/3.2=13...(12) QG2 ILE 7 + HA SER 9 OK 64 87 - 73 - 8267/3.0=15, 8265/3.0=14...(25) QG2 ILE 7 + HA ILE 76 OK 43 100 - 43 - 3431/3.2=6, 3423/3.0=5...(21) QD1 ILE 76 - HA SER 9 OK 41 87 - 48 - 3450=9, 3.2/3426=7...(13) QG2 ILE 8 - HA SER 9 OK 40 64 - 63 - 6104/2.9=12, ~6102=8...(22) QG2 ILE 8 - HA ILE 76 OK 32 81 - 40 - 4.1/6108=5, 3431/3.2=4...(19) QD2 LEU 2 - HA ILE 76 OK 28 96 - 30 - 82/3.2=5, 3423/3.0=4...(12) QG2 ILE 15 - HA ILE 76 OK 24 94 - 26 - 10415/3.6=5, 7258/3.0=4...(11) QG2 ILE 15 - HA SER 9 OK 19 77 - 25 - ~10417=6, ~8445=4...(8) QD2 LEU 57 - HA ILE 76 OK 11 99 - 11 - 3431/3.2=2, 3423/3.0=2...(5) QD2 LEU 70 - HA ILE 76 lone 8 97 - 8 - 7258/3.0=1, 3423/3.0=1 QD2 LEU 2 - HA SER 9 lone 8 80 - 10 - ~6106=1, ~8322=1 QD1 LEU 70 - HA ILE 76 lone 5 77 - 6 - QD2 LEU 57 - HA SER 9 lone 4 84 - 5 - 6104/2.9=1 QD2 LEU 70 - HA SER 9 lone 4 81 - 5 - ~8316=2 QD1 LEU 70 - HA SER 9 lone 3 61 - 4 - ~8316=2 Peak 3416 from cnoeabs.peaks (8.89, 4.43, 58.48 ppm; 3.28 A): 3 out of 4 assignments used, quality = 0.93: * H ASP 77 + HA ILE 76 OK 89 100 - 89 - 3.6=78, 3424/3.0=14...(10) H ARG 19 + HA ILE 76 OK 25 90 - 28 - 3432/3.2=6, 3424/3.0=6...(6) H ASP 77 + HA SER 9 OK 20 87 - 23 - 7262=8, 4.3/3426=4...(6) H ARG 19 - HA SER 9 lone 5 73 - 7 - 6281/3.6=1, 6291/2.9=1 Peak 3417 from cnoeabs.peaks (7.56, 1.64, 40.34 ppm; 3.66 A): 2 out of 4 assignments used, quality = 0.94: * H ILE 76 + HB ILE 76 OK 92 100 - 92 - 4.0=79, 7256/3.0=22...(10) H LEU 14 + HB ILE 76 OK 31 96 - 33 - 3425/2.1=7, 3433/3.0=6...(8) H GLU 88 - HB ILE 76 OK 20 90 - 22 - 3425/2.1=4, 3433/3.0=4...(7) H LYS 24 - HB ILE 76 OK 13 84 - 15 - 3425/2.1=3, 3433/3.0=2...(5) Peak 3418 from cnoeabs.peaks (4.43, 1.64, 40.34 ppm; 3.69 A): 2 out of 7 assignments used, quality = 1.00: * HA ILE 76 + HB ILE 76 OK 100 100 - 100 - 3.0=100 HA SER 9 + HB ILE 76 OK 57 100 - 57 - 3426/2.1=9, 3411=7...(21) HA GLU 48 - HB ILE 76 OK 35 100 - 35 - 3426/2.1=6, ~9038=5...(13) HA VAL 32 - HB ILE 76 poor 9 70 - 12 - 3426/2.1=1, 3.0/9659=1...(5) HA MET 21 - HB ILE 76 poor 8 70 - 11 - 956/4.0=1, 4.4/3422=1...(4) HB THR 84 - HB ILE 76 lone 6 87 - 7 - 3426/2.1=1 HA ALA 25 - HB ILE 76 lone 5 77 - 6 - Peak 3419 from cnoeabs.peaks (1.64, 1.64, 40.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 76 + HB ILE 76 OK 100 100 - 100 Peak 3420 from cnoeabs.peaks (0.88, 1.64, 40.34 ppm; 3.19 A): 1 out of 5 assignments used, quality = 1.00: * QG2 ILE 76 + HB ILE 76 OK 100 100 - 100 - 2.1=100 HG13 ILE 7 - HB ILE 76 OK 44 92 - 48 - 3452/3.2=5, 1.8/3422=5...(23) HG13 ILE 8 - HB ILE 76 OK 40 99 - 40 - 2.1/9646=6, 3452/3.2=4...(16) QD1 LEU 2 - HB ILE 76 OK 36 100 - 36 - 3452/3.2=5, 2.1/3423=4...(16) QD1 LEU 103 - HB ILE 76 lone 1 61 - 2 - Peak 3421 from cnoeabs.peaks (1.09, 1.64, 40.34 ppm; 3.81 A): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 76 + HB ILE 76 OK 100 100 - 100 - 3.0=100 HG2 ARG 91 + HB ILE 76 OK 51 90 - 57 - 3429/2.1=12, 3453/3.2=9...(21) Peak 3422 from cnoeabs.peaks (1.44, 1.64, 40.34 ppm; 3.42 A): 2 out of 9 assignments used, quality = 1.00: * HG13 ILE 76 + HB ILE 76 OK 100 100 - 100 - 3.0=100 HG12 ILE 7 + HB ILE 76 OK 46 87 - 53 - 1.8/3420=8, 3430/2.1=5...(25) HG3 LYS 39 - HB ILE 76 OK 42 99 - 43 - 3430/2.1=5, 3454/3.2=4...(22) HG3 ARG 91 - HB ILE 76 OK 33 73 - 44 - 1.8/3421=10, ~3429=6...(16) HG LEU 29 - HB ILE 76 OK 29 100 - 29 - 3445/3.0=4, 3430/2.1=3...(14) QB ALA 22 - HB ILE 76 OK 20 100 - 20 - 2.1/9648=7, 3430/2.1=2...(6) HG2 LYS 13 - HB ILE 76 OK 17 98 - 17 - 527/4.0=4, 10394/3.2=3...(6) HG2 LYS 12 - HB ILE 76 lone 8 94 - 9 - 3430/2.1=1, 7257/4.0=1 HB2 LEU 38 - HB ILE 76 lone 4 61 - 6 - Peak 3423 from cnoeabs.peaks (0.80, 1.64, 40.34 ppm; 3.51 A): 2 out of 8 assignments used, quality = 1.00: * QD1 ILE 76 + HB ILE 76 OK 100 100 - 100 - 3.2=100 QG2 ILE 7 + HB ILE 76 OK 54 100 - 54 - 3431/2.1=7, 3.2/3420=6...(28) QD2 LEU 2 - HB ILE 76 OK 39 96 - 41 - 82/2.1=7, 2.1/3420=6...(17) QG2 ILE 8 - HB ILE 76 OK 35 81 - 43 - 3.0/9646=6, 3431/2.1=5...(20) QG2 ILE 15 - HB ILE 76 OK 23 94 - 24 - 10415/4.4=4, 3431/2.1=3...(8) QD2 LEU 57 - HB ILE 76 OK 17 99 - 17 - 3431/2.1=2, 3439/3.0=2...(5) QD2 LEU 70 - HB ILE 76 OK 12 97 - 12 - 3431/2.1=1, 3439/3.0=1 QD1 LEU 70 - HB ILE 76 lone 7 77 - 9 - Peak 3424 from cnoeabs.peaks (8.89, 1.64, 40.34 ppm; 3.97 A): 2 out of 2 assignments used, quality = 0.96: * H ASP 77 + HB ILE 76 OK 93 100 - 93 - 4.4=71, 3432/2.1=25...(13) H ARG 19 + HB ILE 76 OK 41 90 - 45 - 3432/2.1=12, 3456/3.2=8...(11) Peak 3425 from cnoeabs.peaks (7.56, 0.88, 17.57 ppm; 3.90 A): 1 out of 4 assignments used, quality = 0.97: * H ILE 76 + QG2 ILE 76 OK 97 100 - 97 - 4.0=91, 7256/3.2=23...(12) H LEU 14 - QG2 ILE 76 OK 40 96 - 42 - 3417/2.1=7, 3433/3.2=6...(12) H GLU 88 - QG2 ILE 76 OK 23 90 - 25 - 3417/2.1=5, 3433/3.2=4...(8) H LYS 24 - QG2 ILE 76 OK 14 84 - 16 - 3417/2.1=3, 3433/3.2=3...(6) Peak 3426 from cnoeabs.peaks (4.43, 0.88, 17.57 ppm; 3.45 A): 2 out of 7 assignments used, quality = 1.00: * HA ILE 76 + QG2 ILE 76 OK 100 100 - 100 - 3.2=100 HA SER 9 + QG2 ILE 76 OK 53 100 - 53 - 3418/2.1=8, 3.0/9653=7...(21) HA GLU 48 - QG2 ILE 76 OK 38 100 - 39 - 3.0/9038=6, 3.0/9034=6...(15) HA VAL 32 - QG2 ILE 76 poor 8 70 - 12 - 3.0/9654=2, 3418/2.1=1 HA MET 21 - QG2 ILE 76 lone 7 70 - 10 - 956/4.0=1, 4.4/3430=1 HB THR 84 - QG2 ILE 76 lone 6 87 - 7 - HA ALA 25 - QG2 ILE 76 lone 5 77 - 6 - Peak 3427 from cnoeabs.peaks (1.64, 0.88, 17.57 ppm; 3.15 A): 1 out of 10 assignments used, quality = 1.00: * HB ILE 76 + QG2 ILE 76 OK 100 100 - 100 - 2.1=100 HD3 LYS 39 - QG2 ILE 76 OK 33 100 - 33 - 1740/3.2=4, 3451/3.2=4...(13) HD2 LYS 39 - QG2 ILE 76 OK 29 92 - 32 - 3451/3.2=3, 3.0/3430=3...(15) HB3 LEU 6 - QG2 ILE 76 OK 17 99 - 18 - 3.1/10877=2, 4.3/6082=2...(8) HB2 LYS 40 - QG2 ILE 76 OK 14 100 - 14 - 3.0/9651=2, 4.3/8868=1...(4) HG2 LYS 68 - QG2 ILE 76 OK 11 100 - 11 - 3451/3.2=1, 3435/3.2=1 HD3 LYS 68 - QG2 ILE 76 poor 10 97 - 10 - 3451/3.2=1, 3435/3.2=1 HD2 LYS 68 - QG2 ILE 76 poor 10 96 - 10 - 3451/3.2=1, 3435/3.2=1 HB3 ARG 79 - QG2 ILE 76 lone 7 92 - 8 - 4.1/9628=3 HD2 LYS 94 - QG2 ILE 76 lone 3 57 - 6 - Peak 3428 from cnoeabs.peaks (0.88, 0.88, 17.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 76 + QG2 ILE 76 OK 100 100 - 100 Peak 3429 from cnoeabs.peaks (1.09, 0.88, 17.57 ppm; 3.64 A): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 76 + QG2 ILE 76 OK 100 100 - 100 - 3.2=100 HG2 ARG 91 + QG2 ILE 76 OK 48 90 - 54 - 3421/2.1=11, 3453/3.2=9...(17) Peak 3430 from cnoeabs.peaks (1.44, 0.88, 17.57 ppm; 3.42 A): 2 out of 9 assignments used, quality = 1.00: * HG13 ILE 76 + QG2 ILE 76 OK 100 100 - 100 - 3.2=100 HG12 ILE 7 + QG2 ILE 76 OK 49 87 - 56 - 3.2/3431=5, 262=5...(26) HG3 LYS 39 - QG2 ILE 76 OK 43 99 - 44 - 3422/2.1=5, 3454/3.2=4...(20) HG3 ARG 91 - QG2 ILE 76 OK 33 73 - 45 - 1.8/3429=11, ~3421=6...(17) HG LEU 29 - QG2 ILE 76 OK 30 100 - 30 - 3444=4, 3445/3.2=4...(13) HG2 LYS 13 - QG2 ILE 76 OK 20 98 - 20 - 527/4.0=4, 10394/3.2=3...(8) QB ALA 22 - QG2 ILE 76 OK 19 100 - 19 - ~9648=5, 3422/2.1=2...(6) HG2 LYS 12 - QG2 ILE 76 OK 11 94 - 11 - 3.7/9651=2, 7257/4.0=1 HB2 LEU 38 - QG2 ILE 76 lone 3 61 - 5 - Peak 3431 from cnoeabs.peaks (0.80, 0.88, 17.57 ppm; 2.97 A): 3 out of 8 assignments used, quality = 0.95: * QD1 ILE 76 + QG2 ILE 76 OK 84 100 - 84 - 3.2=77, 3450/3.2=7...(6) QG2 ILE 7 + QG2 ILE 76 OK 48 100 - 48 - 254=6, 4.4/9629=5...(20) QD2 LEU 2 + QG2 ILE 76 OK 40 96 - 42 - 82=8, 2.1/74=5, 3.1/58=3...(17) QG2 ILE 8 - QG2 ILE 76 OK 34 81 - 42 - 302=5, 4.0/9629=5...(14) QG2 ILE 15 - QG2 ILE 76 OK 19 94 - 21 - 10415/4.3=3, 3.2/10118=2...(9) QD2 LEU 57 - QG2 ILE 76 OK 14 99 - 14 - 3423/2.1=1, 3.1/12133=1 QD2 LEU 70 - QG2 ILE 76 lone 9 97 - 9 - QD1 LEU 70 - QG2 ILE 76 lone 5 77 - 7 - Peak 3432 from cnoeabs.peaks (8.89, 0.88, 17.57 ppm; 3.83 A): 2 out of 2 assignments used, quality = 0.95: * H ASP 77 + QG2 ILE 76 OK 92 100 - 92 - 4.3=68, 3424/2.1=23...(13) H ARG 19 + QG2 ILE 76 OK 43 90 - 48 - 3424/2.1=10, 3456/3.2=7...(14) Peak 3433 from cnoeabs.peaks (7.56, 1.09, 26.75 ppm; 3.77 A): 4 out of 4 assignments used, quality = 0.93: * H ILE 76 + HG12 ILE 76 OK 85 100 - 85 - 4.5=57, 3417/3.0=17...(12) H LEU 14 + HG12 ILE 76 OK 34 96 - 35 - 3441/1.8=7, 3449/2.1=7...(7) H GLU 88 + HG12 ILE 76 OK 24 90 - 26 - 3.0/9958=6, 3441/1.8=4...(7) H LYS 24 + HG12 ILE 76 OK 14 84 - 17 - 3449/2.1=3, 3441/1.8=3...(7) Peak 3434 from cnoeabs.peaks (4.43, 1.09, 26.75 ppm; 4.33 A): 2 out of 7 assignments used, quality = 1.00: * HA ILE 76 + HG12 ILE 76 OK 100 100 - 100 - 3.8=100 HA SER 9 + HG12 ILE 76 OK 60 100 - 61 - 3413=11, 3450/2.1=10...(15) HA GLU 48 - HG12 ILE 76 OK 43 100 - 43 - 3450/2.1=7, 3.0/9664=7...(9) HA MET 21 - HG12 ILE 76 OK 10 70 - 14 - 3.0/9664=3, 956/4.5=2...(7) HA VAL 32 - HG12 ILE 76 poor 9 70 - 13 - 3450/2.1=2, ~12056=2...(6) HB THR 84 - HG12 ILE 76 lone 7 87 - 8 - 3418/3.0=1, 3426/3.2=1 HA ALA 25 - HG12 ILE 76 lone 6 77 - 8 - ~10286=1, 3450/2.1=1 Peak 3435 from cnoeabs.peaks (1.64, 1.09, 26.75 ppm; 3.48 A): 1 out of 10 assignments used, quality = 1.00: * HB ILE 76 + HG12 ILE 76 OK 100 100 - 100 - 3.0=100 HD3 LYS 39 - HG12 ILE 76 OK 44 100 - 45 - 1740/1.8=7, 3451/2.1=6...(19) HD2 LYS 39 - HG12 ILE 76 OK 39 92 - 43 - 3451/2.1=5, 3.0/3438=4...(19) HB3 LEU 6 - HG12 ILE 76 OK 17 99 - 18 - 3.1/9667=3, 3427/3.2=2...(7) HG2 LYS 68 - HG12 ILE 76 OK 15 100 - 14 - 3451/2.1=2, 3443/1.8=2 HB2 LYS 40 - HG12 ILE 76 OK 13 100 - 13 - 3451/2.1=2, 3427/3.2=2...(5) HD3 LYS 68 - HG12 ILE 76 OK 13 97 - 13 - 3451/2.1=2, 3443/1.8=1...(4) HD2 LYS 68 - HG12 ILE 76 OK 13 96 - 13 - 3451/2.1=2, 3443/1.8=1...(4) HB3 ARG 79 - HG12 ILE 76 lone 4 92 - 5 - HD2 LYS 94 - HG12 ILE 76 lone 3 57 - 6 - Peak 3436 from cnoeabs.peaks (0.88, 1.09, 26.75 ppm; 3.84 A): 4 out of 5 assignments used, quality = 1.00: * QG2 ILE 76 + HG12 ILE 76 OK 100 100 - 100 - 3.2=100 HG13 ILE 7 + HG12 ILE 76 OK 56 92 - 62 - 3452/2.1=9, 269/1.8=8...(24) QD1 LEU 2 + HG12 ILE 76 OK 49 100 - 49 - 3452/2.1=9, ~10286=6...(18) HG13 ILE 8 + HG12 ILE 76 OK 46 99 - 47 - 3452/2.1=7, 3420/3.0=6...(18) QD1 LEU 103 - HG12 ILE 76 lone 1 61 - 2 - Peak 3437 from cnoeabs.peaks (1.09, 1.09, 26.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 76 + HG12 ILE 76 OK 100 100 - 100 Peak 3438 from cnoeabs.peaks (1.44, 1.09, 26.75 ppm; 2.52 A): 1 out of 9 assignments used, quality = 1.00: * HG13 ILE 76 + HG12 ILE 76 OK 100 100 - 100 - 1.8=100 HG3 LYS 39 - HG12 ILE 76 OK 27 99 - 27 - 3454/2.1=3, ~10569=2...(12) HG12 ILE 7 - HG12 ILE 76 OK 26 87 - 30 - 1.8/3436=3, 3454/2.1=3...(13) HG3 ARG 91 - HG12 ILE 76 OK 24 73 - 32 - 4057=4, 2.8/4029=3...(15) HG LEU 29 - HG12 ILE 76 OK 20 100 - 20 - 3445=5, ~10501=2...(9) QB ALA 22 - HG12 ILE 76 lone 9 100 - 8 - ~9648=2, 3454/2.1=1 HG2 LYS 13 - HG12 ILE 76 lone 8 98 - 8 - 527/4.5=2, 10394/2.1=1 HG2 LYS 12 - HG12 ILE 76 lone 4 94 - 5 - HB2 LEU 38 - HG12 ILE 76 lone 2 61 - 3 - Peak 3439 from cnoeabs.peaks (0.80, 1.09, 26.75 ppm; 3.31 A): 2 out of 8 assignments used, quality = 1.00: * QD1 ILE 76 + HG12 ILE 76 OK 100 100 - 100 - 2.1=100 QG2 ILE 7 + HG12 ILE 76 OK 49 100 - 49 - 253/1.8=7, 3431/3.2=5...(27) QD2 LEU 2 - HG12 ILE 76 OK 36 96 - 38 - 2.1/3436=5, 82/3.2=5...(18) QG2 ILE 8 - HG12 ILE 76 OK 27 81 - 34 - 3.1/3436=4, 3431/3.2=4...(19) QG2 ILE 15 - HG12 ILE 76 OK 20 94 - 21 - 3431/3.2=2, 7258/4.5=2...(8) QD2 LEU 57 - HG12 ILE 76 OK 15 99 - 16 - 3447/1.8=2, 3431/3.2=2...(6) QD2 LEU 70 - HG12 ILE 76 OK 10 97 - 10 - 9604/9606=1, 3447/1.8=1 QD1 LEU 70 - HG12 ILE 76 lone 7 77 - 8 - Peak 3440 from cnoeabs.peaks (8.89, 1.09, 26.75 ppm; 5.28 A): 2 out of 2 assignments used, quality = 0.97: * H ASP 77 + HG12 ILE 76 OK 93 100 - 93 - 7265=36, 3424/3.0=31...(11) H ARG 19 + HG12 ILE 76 OK 56 90 - 62 - 3456/2.1=17, 3432/3.2=14...(12) Peak 3441 from cnoeabs.peaks (7.56, 1.44, 26.75 ppm; 3.90 A): 2 out of 8 assignments used, quality = 0.94: * H ILE 76 + HG13 ILE 76 OK 89 100 - 89 - 4.5=63, 7256/1.8=32...(8) H LEU 14 + HG13 ILE 76 OK 42 96 - 44 - 3433/1.8=8, 3449/2.1=7...(12) H GLU 88 - HG13 ILE 76 OK 24 90 - 27 - 3433/1.8=6, ~9958=6...(6) H ILE 76 - HG LEU 29 OK 18 85 - 21 - 7257=4, 4.5/3445=3...(7) H LYS 24 - HG13 ILE 76 OK 16 84 - 19 - 3433/1.8=4, 3449/2.1=3...(8) H LEU 14 - HG LEU 29 lone 6 77 - 8 - 6191=1 H LYS 24 - HG LEU 29 lone 5 65 - 8 - 4.6/6363=3, 6355/6353=1 H GLU 88 - HG LEU 29 lone 3 70 - 5 - Peak 3442 from cnoeabs.peaks (4.43, 1.44, 26.75 ppm; 4.29 A): 2 out of 14 assignments used, quality = 1.00: * HA ILE 76 + HG13 ILE 76 OK 100 100 - 100 - 3.8=100 HA SER 9 + HG13 ILE 76 OK 59 100 - 59 - 3434/1.8=10, 3450/2.1=10...(14) HA GLU 48 - HG13 ILE 76 OK 41 100 - 41 - 3450/2.1=7, 3434/1.8=7...(9) HA ILE 76 - HG LEU 29 OK 21 85 - 24 - 3.8/3445=5, 3.0/3422=4...(7) HA MET 21 - HG13 ILE 76 OK 10 70 - 15 - 3.6/6353=2, ~9664=2...(7) HA MET 21 - HG LEU 29 OK 10 52 - 20 - 3.6/6353=9, ~10442=6, 8565/3.0=2 HA VAL 32 - HG13 ILE 76 poor 9 70 - 13 - 3450/2.1=2, ~12056=2...(6) HA ALA 25 - HG13 ILE 76 lone 6 77 - 8 - ~10286=1, 3450/2.1=1, 3434/1.8=1 HB THR 84 - HG13 ILE 76 lone 6 87 - 7 - 3434/1.8=1, 3418/3.0=1 HA VAL 32 - HG LEU 29 poor 6 52 - 11 - ~12050=2, ~8942=2...(6) HA SER 9 - HG LEU 29 lone 6 84 - 7 - HB THR 84 - HG LEU 29 lone 3 67 - 4 - ~9836=3 HA GLU 48 - HG LEU 29 lone 3 85 - 3 - HA ALA 25 - HG LEU 29 lone 2 59 - 3 - Peak 3443 from cnoeabs.peaks (1.64, 1.44, 26.75 ppm; 3.26 A): 2 out of 20 assignments used, quality = 1.00: * HB ILE 76 + HG13 ILE 76 OK 100 100 - 100 - 3.0=100 HD3 LYS 39 + HG13 ILE 76 OK 47 100 - 47 - 1740=7, 3435/1.8=5...(21) HD2 LYS 39 - HG13 ILE 76 OK 41 92 - 45 - 1.8/1740=6, 3435/1.8=5...(21) HB ILE 76 - HG LEU 29 OK 23 85 - 28 - 3422=4, 3.0/3445=4...(13) HB3 LEU 6 - HG LEU 29 OK 17 83 - 21 - ~8684=8, ~8687=8...(4) HG2 LYS 68 - HG13 ILE 76 OK 16 100 - 16 - 3451/2.1=2, 3435/1.8=2...(4) HB3 LEU 6 - HG13 ILE 76 OK 16 99 - 16 - 3435/1.8=2, 3427/3.2=2...(6) HB2 LYS 40 - HG LEU 29 OK 16 84 - 19 - 1787/3.0=4, ~1799=2...(9) HD3 LYS 39 - HG LEU 29 OK 16 84 - 19 - ~10568=5, 1740=3...(7) HD3 LYS 68 - HG13 ILE 76 OK 14 97 - 15 - 3435/1.8=2, 3451/2.1=2...(5) HD2 LYS 68 - HG13 ILE 76 OK 14 96 - 15 - 3435/1.8=2, 3451/2.1=2...(5) HB2 LYS 40 - HG13 ILE 76 OK 14 100 - 14 - 3.0/10875=2, 3451/2.1=2...(6) HD2 LYS 39 - HG LEU 29 OK 13 73 - 18 - ~10568=5, 1.8/1740=2...(7) HG2 LYS 68 - HG LEU 29 OK 12 84 - 15 - ~8671=2, 2.9/10284=2...(6) HD3 LYS 68 - HG LEU 29 poor 10 79 - 12 - ~8671=2, 3.5/10284=2...(5) HD2 LYS 68 - HG LEU 29 poor 9 77 - 12 - ~8671=2, 3.5/10284=2...(5) HB3 ARG 79 - HG13 ILE 76 lone 4 92 - 5 - HB3 ARG 79 - HG LEU 29 lone 4 73 - 5 - HD2 LYS 94 - HG13 ILE 76 lone 3 57 - 5 - HD2 LYS 94 - HG LEU 29 lone 2 42 - 4 - Peak 3444 from cnoeabs.peaks (0.88, 1.44, 26.75 ppm; 3.51 A): 2 out of 10 assignments used, quality = 1.00: * QG2 ILE 76 + HG13 ILE 76 OK 100 100 - 100 - 3.2=100 HG13 ILE 7 + HG13 ILE 76 OK 54 92 - 59 - 3452/2.1=8, 3436/1.8=7...(26) QD1 LEU 2 - HG13 ILE 76 OK 43 100 - 43 - 3452/2.1=8, 3436/1.8=6...(17) HG13 ILE 8 - HG13 ILE 76 OK 42 99 - 43 - 3452/2.1=7, 3436/1.8=6...(19) QG2 ILE 76 - HG LEU 29 OK 27 85 - 31 - 3430=5, 3.2/3445=4...(14) HG13 ILE 7 - HG LEU 29 OK 23 73 - 31 - ~10501=4, 269=3...(14) HG13 ILE 8 - HG LEU 29 lone 5 83 - 6 - 4.6/6090=1 QD1 LEU 2 - HG LEU 29 lone 3 84 - 4 - QD1 LEU 103 - HG LEU 29 lone 2 45 - 4 - QD1 LEU 103 - HG13 ILE 76 lone 1 61 - 2 - Peak 3445 from cnoeabs.peaks (1.09, 1.44, 26.75 ppm; 2.62 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 76 + HG13 ILE 76 OK 100 100 - 100 - 1.8=100 HG2 ARG 91 - HG13 ILE 76 OK 31 90 - 35 - 3453/2.1=6, 3421/3.0=4...(15) HG12 ILE 76 - HG LEU 29 OK 18 85 - 21 - 3438=5, ~10501=2...(9) HG2 ARG 91 - HG LEU 29 lone 1 70 - 2 - Peak 3446 from cnoeabs.peaks (1.44, 1.44, 26.75 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 76 + HG13 ILE 76 OK 100 100 - 100 HG LEU 29 + HG LEU 29 OK 84 84 - 100 Peak 3447 from cnoeabs.peaks (0.80, 1.44, 26.75 ppm; 3.11 A): 2 out of 16 assignments used, quality = 1.00: * QD1 ILE 76 + HG13 ILE 76 OK 100 100 - 100 - 2.1=100 QG2 ILE 7 + HG13 ILE 76 OK 49 100 - 49 - 3439/1.8=6, 253=6...(26) QD2 LEU 2 - HG13 ILE 76 OK 33 96 - 35 - 3439/1.8=4, 82/3.2=4...(17) QG2 ILE 7 - HG LEU 29 OK 29 84 - 35 - 10501/2.1=11, 253=4...(12) QD1 ILE 76 - HG LEU 29 OK 27 85 - 32 - 10501/2.1=8, 3454=5...(12) QG2 ILE 8 - HG13 ILE 76 OK 25 81 - 32 - 3439/1.8=3, 3431/3.2=3...(18) QG2 ILE 15 - HG LEU 29 OK 23 75 - 31 - 10501/2.1=8, ~8689=6...(10) QG2 ILE 15 - HG13 ILE 76 OK 17 94 - 19 - 3439/1.8=2, 3431/3.2=2...(6) QD2 LEU 57 - HG13 ILE 76 OK 14 99 - 14 - 3439/1.8=2, 3.1/10284=1...(4) QD2 LEU 70 - HG13 ILE 76 OK 10 97 - 10 - 3439/1.8=1 QD1 LEU 70 - HG13 ILE 76 lone 6 77 - 7 - QD2 LEU 57 - HG LEU 29 lone 4 82 - 5 - 10501/2.1=2 QG2 ILE 8 - HG LEU 29 lone 3 62 - 5 - 10501/2.1=2, 4.0/6090=1 QD2 LEU 2 - HG LEU 29 lone 3 77 - 3 - QD2 LEU 70 - HG LEU 29 lone 2 79 - 3 - QD1 LEU 70 - HG LEU 29 lone 1 59 - 2 - Peak 3448 from cnoeabs.peaks (8.89, 1.44, 26.75 ppm; 4.82 A): 3 out of 4 assignments used, quality = 0.98: * H ASP 77 + HG13 ILE 76 OK 90 100 - 90 - 3424/3.0=28, 7265/1.8=27...(11) H ARG 19 + HG LEU 29 OK 57 70 - 81 - 8691/2.1=22, ~8685=17...(19) H ARG 19 + HG13 ILE 76 OK 56 90 - 62 - 3456/2.1=15, 3440/1.8=13...(13) H ASP 77 - HG LEU 29 OK 27 85 - 32 - 7266=6, 8691/2.1=5...(10) Peak 3449 from cnoeabs.peaks (7.56, 0.80, 13.65 ppm; 4.42 A): 2 out of 4 assignments used, quality = 0.98: * H ILE 76 + QD1 ILE 76 OK 96 100 - 96 - 4.7=81, 7256/2.1=34...(10) H LEU 14 + QD1 ILE 76 OK 51 96 - 53 - 3433/2.1=9, 3.0/10878=9...(13) H GLU 88 - QD1 ILE 76 OK 31 90 - 34 - ~9958=7, 3433/2.1=7...(8) H LYS 24 - QD1 ILE 76 OK 22 84 - 26 - 3433/2.1=4, 3441/2.1=3...(8) Peak 3450 from cnoeabs.peaks (4.43, 0.80, 13.65 ppm; 3.88 A): 2 out of 7 assignments used, quality = 0.97: * HA ILE 76 + QD1 ILE 76 OK 94 100 - 94 - 4.2=81, 3.2/3452=15...(12) HA SER 9 + QD1 ILE 76 OK 49 100 - 50 - 3434/2.1=8, 3418/3.2=8...(13) HA GLU 48 - QD1 ILE 76 OK 38 100 - 38 - 3426/3.2=5, 3434/2.1=5...(11) HA VAL 32 - QD1 ILE 76 poor 9 70 - 12 - 3.0/12056=2, 3418/3.2=1...(4) HA MET 21 - QD1 ILE 76 poor 8 70 - 12 - 4.4/3454=1, 956/4.7=1...(7) HA ALA 25 - QD1 ILE 76 lone 6 77 - 8 - 2.1/10286=2 HB THR 84 - QD1 ILE 76 lone 5 87 - 5 - Peak 3451 from cnoeabs.peaks (1.64, 0.80, 13.65 ppm; 3.45 A): 3 out of 10 assignments used, quality = 1.00: * HB ILE 76 + QD1 ILE 76 OK 100 100 - 100 - 3.2=100 HD3 LYS 39 + QD1 ILE 76 OK 51 100 - 52 - 1740/2.1=6, 3.0/10569=6...(20) HD2 LYS 39 + QD1 ILE 76 OK 46 92 - 50 - 3.0/10569=6, 3.6/8956=5...(20) HG2 LYS 68 - QD1 ILE 76 OK 18 100 - 18 - 3435/2.1=2, 1.8/10569=2...(4) HB3 LEU 6 - QD1 ILE 76 OK 17 99 - 17 - 4.3/6080=2, 3435/2.1=2...(6) HB2 LYS 40 - QD1 ILE 76 OK 17 100 - 17 - 3.0/9668=3, 3435/2.1=2...(6) HD3 LYS 68 - QD1 ILE 76 OK 15 97 - 15 - 3435/2.1=2, 3443/2.1=1...(5) HD2 LYS 68 - QD1 ILE 76 OK 15 96 - 15 - 3435/2.1=2, 3443/2.1=1...(5) HB3 ARG 79 - QD1 ILE 76 lone 6 92 - 7 - 4.1/10888=2 HD2 LYS 94 - QD1 ILE 76 lone 5 57 - 9 - 3.0/10286=2, 4.7/9668=1 Peak 3452 from cnoeabs.peaks (0.88, 0.80, 13.65 ppm; 3.05 A): 3 out of 5 assignments used, quality = 0.97: * QG2 ILE 76 + QD1 ILE 76 OK 89 100 - 89 - 3.2=84, 3.2/3450=8...(6) HG13 ILE 7 + QD1 ILE 76 OK 44 92 - 48 - 269/2.1=5, 3436/2.1=5...(23) QD1 LEU 2 + QD1 ILE 76 OK 42 100 - 42 - 3.1/10286=7, 89=5...(17) HG13 ILE 8 - QD1 ILE 76 OK 36 99 - 36 - 3436/2.1=4, 3420/3.2=4...(15) QD1 LEU 103 - QD1 ILE 76 lone 1 61 - 2 - Peak 3453 from cnoeabs.peaks (1.09, 0.80, 13.65 ppm; 3.20 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 76 + QD1 ILE 76 OK 100 100 - 100 - 2.1=100 HG2 ARG 91 - QD1 ILE 76 OK 41 90 - 46 - 3445/2.1=8, 3429/3.2=7...(19) Peak 3454 from cnoeabs.peaks (1.44, 0.80, 13.65 ppm; 3.10 A): 2 out of 9 assignments used, quality = 1.00: * HG13 ILE 76 + QD1 ILE 76 OK 100 100 - 100 - 2.1=100 HG3 LYS 39 + QD1 ILE 76 OK 46 99 - 47 - 1.8/10569=7, 3.0/8956=5...(19) HG12 ILE 7 - QD1 ILE 76 OK 42 87 - 49 - 1.8/3452=7, 3438/2.1=5...(24) HG LEU 29 - QD1 ILE 76 OK 31 100 - 31 - 2.1/10501=8, 3445/2.1=4...(12) HG3 ARG 91 - QD1 ILE 76 OK 30 73 - 41 - 1.8/3453=10, ~3445=4...(15) QB ALA 22 - QD1 ILE 76 OK 17 100 - 17 - ~9648=3, 3438/2.1=2...(8) HG2 LYS 13 - QD1 ILE 76 OK 17 98 - 17 - 527/4.7=3, 10394=2...(6) HG2 LYS 12 - QD1 ILE 76 OK 11 94 - 12 - 3.7/9668=1 HB2 LEU 38 - QD1 ILE 76 lone 3 61 - 5 - Peak 3455 from cnoeabs.peaks (0.80, 0.80, 13.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 76 + QD1 ILE 76 OK 100 100 - 100 Peak 3456 from cnoeabs.peaks (8.89, 0.80, 13.65 ppm; 5.11 A): 2 out of 2 assignments used, quality = 0.97: * H ASP 77 + QD1 ILE 76 OK 91 100 - 91 - 3432/3.2=29, 3424/3.2=29...(12) H ARG 19 + QD1 ILE 76 OK 66 90 - 73 - 3440/2.1=14, 3432/3.2=13...(19) Peak 3457 from cnoeabs.peaks (8.89, 4.57, 54.07 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 77 + HA ASP 77 OK 100 100 - 100 - 3.0=100 H ARG 19 - HA ASP 77 OK 17 90 - 18 - 7273/3.6=4, 3462/3.0=4...(6) Peak 3458 from cnoeabs.peaks (4.57, 4.57, 54.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 77 + HA ASP 77 OK 100 100 - 100 Peak 3459 from cnoeabs.peaks (3.21, 4.57, 54.07 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASP 77 + HA ASP 77 OK 100 100 - 100 - 3.0=100 HD3 ARG 46 - HA ASP 77 poor 8 77 - 11 - 7269/3.0=3, 7275/3.6=2...(4) HB3 TRP 92 - HA ASP 77 lone 4 84 - 5 - 7269/3.0=1 Peak 3460 from cnoeabs.peaks (2.63, 4.57, 54.07 ppm; 3.36 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 77 + HA ASP 77 OK 100 100 - 100 - 3.0=100 HB3 ASP 65 - HA ASP 77 OK 25 98 - 25 - 3468=8, 3465/3.0=5...(8) HG3 MET 74 - HA ASP 77 OK 14 87 - 16 - 7276/3.6=3, 3465/3.0=2...(8) HB3 TYR 41 - HA ASP 77 lone 5 100 - 5 - 3465/3.0=1 Peak 3461 from cnoeabs.peaks (7.75, 4.57, 54.07 ppm; 2.91 A): 2 out of 3 assignments used, quality = 0.76: * H VAL 78 + HA ASP 77 OK 73 100 - 73 - 3.6=54, 7275/3.0=11...(7) H MET 74 + HA ASP 77 OK 13 96 - 13 - 7229/3.0=4, 3466/3.0=3...(4) H GLU 37 - HA ASP 77 lone 3 84 - 4 - Peak 3462 from cnoeabs.peaks (8.89, 3.21, 40.23 ppm; 3.62 A): 2 out of 2 assignments used, quality = 0.90: * H ASP 77 + HB2 ASP 77 OK 89 100 - 89 - 3.9=80, 3467/1.8=28...(6) H ARG 19 + HB2 ASP 77 OK 11 90 - 13 - 3467/1.8=4, 3457/3.0=3 Peak 3463 from cnoeabs.peaks (4.57, 3.21, 40.23 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 77 + HB2 ASP 77 OK 100 100 - 100 - 3.0=100 HA THR 84 - HB2 ASP 77 lone 9 92 - 9 - 3468/1.8=3, 7268/3.9=2 Peak 3464 from cnoeabs.peaks (3.21, 3.21, 40.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 77 + HB2 ASP 77 OK 100 100 - 100 Peak 3465 from cnoeabs.peaks (2.63, 3.21, 40.23 ppm; 2.74 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 77 + HB2 ASP 77 OK 100 100 - 100 - 1.8=100 HB3 ASP 65 - HB2 ASP 77 OK 21 98 - 21 - 3469=7, 3460/3.0=3...(8) HG3 MET 74 - HB2 ASP 77 OK 11 87 - 13 - ~3355=2, 7276/4.4=2...(8) HB3 TYR 41 - HB2 ASP 77 lone 4 100 - 4 - Peak 3466 from cnoeabs.peaks (7.75, 3.21, 40.23 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 78 + HB2 ASP 77 OK 100 100 - 100 - 4.4=100 H MET 74 - HB2 ASP 77 OK 33 96 - 34 - 7229/1.8=10, 3461/3.0=7...(7) H GLU 37 - HB2 ASP 77 poor 10 84 - 11 - 3471/1.8=3, 7271/3.9=2...(4) Peak 3467 from cnoeabs.peaks (8.89, 2.63, 40.23 ppm; 3.49 A): 3 out of 4 assignments used, quality = 0.89: * H ASP 77 + HB3 ASP 77 OK 84 100 - 84 - 3.9=71, 7269/1.8=31...(6) H ASP 77 + HB3 ASP 65 OK 18 86 - 21 - 7270=9, 3.0/3460=5...(5) H ARG 19 + HB3 ASP 77 OK 11 90 - 12 - 3462/1.8=4, 3457/3.0=3 H ARG 19 - HB3 ASP 65 lone 3 72 - 4 - 6291/4.6=2 Peak 3468 from cnoeabs.peaks (4.57, 2.63, 40.23 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 77 + HB3 ASP 77 OK 100 100 - 100 - 3.0=100 HA ASP 77 - HB3 ASP 65 OK 24 86 - 27 - 3460=9, 3.0/3465=5...(8) HA THR 84 - HB3 ASP 77 lone 8 92 - 9 - 3463/1.8=3, 7268/3.9=2 HA THR 84 - HB3 ASP 65 lone 1 74 - 2 - Peak 3469 from cnoeabs.peaks (3.21, 2.63, 40.23 ppm; 2.70 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ASP 77 + HB3 ASP 77 OK 100 100 - 100 - 1.8=100 HB2 ASP 77 - HB3 ASP 65 OK 18 86 - 21 - 3465=7, 3.0/3460=3...(8) HD3 ARG 46 - HB3 ASP 77 lone 5 77 - 6 - 7269/3.9=1, 3459/3.0=1 HB3 TRP 92 - HB3 ASP 77 lone 2 84 - 2 - HD3 ARG 46 - HB3 ASP 65 lone 1 60 - 1 - HB3 TRP 92 - HB3 ASP 65 lone 0 66 - 0 - Peak 3470 from cnoeabs.peaks (2.63, 2.63, 40.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 77 + HB3 ASP 77 OK 100 100 - 100 HB3 ASP 65 + HB3 ASP 65 OK 82 82 - 100 Peak 3471 from cnoeabs.peaks (7.75, 2.63, 40.23 ppm; 4.13 A): 2 out of 6 assignments used, quality = 0.97: * H VAL 78 + HB3 ASP 77 OK 95 100 - 95 - 4.4=83, 7274/3.0=40...(8) H MET 74 + HB3 ASP 77 OK 38 96 - 40 - 7229=8, 3466/1.8=7...(11) H VAL 78 - HB3 ASP 65 OK 20 86 - 23 - 7276=7, 3.6/3460=6...(4) H GLU 37 - HB3 ASP 77 poor 10 84 - 12 - 3466/1.8=2, 7271/3.9=2 H MET 74 - HB3 ASP 65 lone 5 79 - 6 - H GLU 37 - HB3 ASP 65 lone 4 66 - 6 - 4.6/9488=2 Peak 3472 from cnoeabs.peaks (7.75, 5.19, 58.80 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 78 + HA VAL 78 OK 100 100 - 100 - 3.0=100 H MET 74 - HA VAL 78 OK 25 96 - 26 - 3484/3.2=6, 3490/3.2=5...(7) H GLU 37 - HA VAL 78 OK 10 84 - 12 - 3490/3.2=2, 3478/3.0=2...(4) Peak 3473 from cnoeabs.peaks (5.19, 5.19, 58.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 78 + HA VAL 78 OK 100 100 - 100 Peak 3474 from cnoeabs.peaks (1.78, 5.19, 58.80 ppm; 3.54 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 78 + HA VAL 78 OK 100 100 - 100 - 3.0=100 HB ILE 56 - HA VAL 78 OK 29 70 - 41 - 3.8/9300=14, 2.9/3475=4...(14) HB3 LYS 82 - HA VAL 78 OK 21 73 - 29 - ~10901=7, ~10900=4...(11) HG3 ARG 46 - HA VAL 78 OK 13 97 - 13 - 7278/3.0=2, 9655/9635=2...(4) HB3 GLU 63 - HA VAL 78 OK 12 100 - 12 - 3492/3.2=2, 3486/3.2=2...(5) HB2 LYS 66 - HA VAL 78 poor 10 81 - 12 - 3492/3.2=2, 3486/3.2=1...(5) HB2 LYS 39 - HA VAL 78 poor 8 65 - 12 - 3.6/9690=3, 3492/3.2=1...(4) Peak 3475 from cnoeabs.peaks (0.72, 5.19, 58.80 ppm; 3.10 A): 1 out of 9 assignments used, quality = 0.97: * QG2 VAL 78 + HA VAL 78 OK 97 100 - 97 - 3.2=91, 2.1/3491=32...(12) HG13 ILE 56 - HA VAL 78 OK 30 97 - 31 - 4.9/9300=8, 2.9/3474=3...(9) QG1 VAL 5 - HA VAL 78 OK 26 99 - 27 - 3485=6, 3493/3.2=3...(8) QD1 ILE 56 - HA VAL 78 OK 24 81 - 29 - 5.0/9300=8, 3.2/3474=3...(11) QG1 VAL 58 - HA VAL 78 OK 12 100 - 12 - 10225/3.0=3, 3493/3.2=1...(4) QD1 ILE 8 - HA VAL 78 OK 11 87 - 13 - 3.2/10348=2, 7279/3.0=1 QD2 LEU 27 - HA VAL 78 lone 8 96 - 9 - 7286/3.6=2, 3493/3.2=1 QD2 LEU 14 - HA VAL 78 lone 7 84 - 8 - HG3 ARG 81 - HA VAL 78 lone 3 65 - 5 - Peak 3476 from cnoeabs.peaks (0.74, 5.19, 58.80 ppm; 3.10 A): 1 out of 10 assignments used, quality = 0.96: * QG1 VAL 78 + HA VAL 78 OK 96 100 - 96 - 3.2=91, 3490/3.0=16...(11) QG1 VAL 54 - HA VAL 78 OK 42 73 - 57 - 2.1/11103=21...(15) QD1 LEU 64 - HA VAL 78 OK 28 99 - 28 - ~10906=7, 3482/3.0=4...(12) QG1 VAL 5 - HA VAL 78 poor 8 61 - 14 - ~10907=2, ~10351=2...(5) HG3 ARG 81 - HA VAL 78 lone 7 98 - 7 - 7287/3.6=2 QD2 LEU 27 - HA VAL 78 lone 5 73 - 7 - 7287/3.6=1 QG2 ILE 93 - HA VAL 78 lone 5 99 - 5 - HG13 ILE 93 - HA VAL 78 lone 5 100 - 5 - HG13 ILE 15 - HA VAL 78 lone 4 94 - 4 - QD1 ILE 15 - HA VAL 78 lone 2 81 - 3 - Peak 3477 from cnoeabs.peaks (8.50, 5.19, 58.80 ppm; 3.07 A): 2 out of 6 assignments used, quality = 0.90: * H ARG 79 + HA VAL 78 OK 81 100 - 81 - 3.6=64, 4.3/3491=15...(12) H VAL 54 + HA VAL 78 OK 48 94 - 51 - 11101=26, 3.9/11103=13...(7) H THR 31 - HA VAL 78 lone 6 100 - 6 - H LEU 2 - HA VAL 78 lone 5 92 - 5 - H ALA 67 - HA VAL 78 lone 4 61 - 6 - 3495/3.2=1 H VAL 32 - HA VAL 78 lone 2 61 - 3 - Peak 3478 from cnoeabs.peaks (7.75, 1.78, 35.29 ppm; 3.77 A): 1 out of 3 assignments used, quality = 0.98: * H VAL 78 + HB VAL 78 OK 98 100 - 98 - 3.8=95, 3490/2.1=29...(9) H MET 74 - HB VAL 78 OK 24 96 - 25 - 3484/2.1=7, 3490/2.1=7...(5) H GLU 37 - HB VAL 78 poor 9 84 - 10 - 3490/2.1=3, 3484/2.1=2...(4) Peak 3479 from cnoeabs.peaks (5.19, 1.78, 35.29 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 78 + HB VAL 78 OK 100 100 - 100 - 3.0=100 Peak 3480 from cnoeabs.peaks (1.78, 1.78, 35.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 78 + HB VAL 78 OK 100 100 - 100 Peak 3481 from cnoeabs.peaks (0.72, 1.78, 35.29 ppm; 2.84 A): 1 out of 9 assignments used, quality = 1.00: * QG2 VAL 78 + HB VAL 78 OK 100 100 - 100 - 2.1=100 QG1 VAL 5 - HB VAL 78 OK 25 99 - 25 - 3493/2.1=4, 3486=4...(12) HG13 ILE 56 - HB VAL 78 OK 22 97 - 23 - 3493/2.1=3, 3475/3.0=3...(6) QG1 VAL 58 - HB VAL 78 OK 18 100 - 18 - 10225=3, 10223/10288=2...(6) QD1 ILE 56 - HB VAL 78 OK 17 81 - 21 - 3493/2.1=2, 3475/3.0=2...(8) QD1 ILE 8 - HB VAL 78 lone 9 87 - 10 - 3.2/10349=2, 2.1/10287=1 QD2 LEU 27 - HB VAL 78 lone 8 96 - 8 - 3493/2.1=1, 7286/4.4=1 QD2 LEU 14 - HB VAL 78 lone 6 84 - 7 - 10403/10288=1, 3.1/10349=1 HG3 ARG 81 - HB VAL 78 lone 4 65 - 6 - Peak 3482 from cnoeabs.peaks (0.74, 1.78, 35.29 ppm; 2.90 A): 1 out of 10 assignments used, quality = 1.00: * QG1 VAL 78 + HB VAL 78 OK 100 100 - 100 - 2.1=100 QD1 LEU 64 - HB VAL 78 OK 35 99 - 36 - ~10906=10, 10255=4...(15) QG1 VAL 54 - HB VAL 78 OK 33 73 - 45 - 2.1/11104=11, ~11103=8...(16) QG1 VAL 5 - HB VAL 78 OK 10 61 - 16 - ~10907=3, ~10351=2...(9) HG3 ARG 81 - HB VAL 78 lone 7 98 - 7 - 7287/4.4=1 QD2 LEU 27 - HB VAL 78 lone 5 73 - 7 - QG2 ILE 93 - HB VAL 78 lone 5 99 - 5 - HG13 ILE 93 - HB VAL 78 lone 5 100 - 5 - HG13 ILE 15 - HB VAL 78 lone 4 94 - 4 - QD1 ILE 15 - HB VAL 78 lone 2 81 - 2 - Peak 3483 from cnoeabs.peaks (8.50, 1.78, 35.29 ppm; 4.01 A): 2 out of 6 assignments used, quality = 0.97: * H ARG 79 + HB VAL 78 OK 94 100 - 94 - 4.4=76, 7284/3.0=39...(10) H VAL 54 + HB VAL 78 OK 57 94 - 61 - 11101/3.0=29...(7) H THR 31 - HB VAL 78 lone 10 100 - 10 - 3495/2.1=2, 3489/2.1=2...(4) H ALA 67 - HB VAL 78 poor 10 61 - 16 - 3495/2.1=2, 3489/2.1=2...(6) H LEU 2 - HB VAL 78 lone 9 92 - 10 - 3495/2.1=2, 9707/10288=1...(6) H VAL 32 - HB VAL 78 lone 3 61 - 6 - 7281/3.8=1 Peak 3484 from cnoeabs.peaks (7.75, 0.72, 21.10 ppm; 3.33 A): 3 out of 6 assignments used, quality = 0.91: * H VAL 78 + QG2 VAL 78 OK 87 100 - 87 - 4.0=58, 3490/2.1=24...(11) H MET 74 + QG2 VAL 78 OK 23 96 - 24 - 3490/2.1=5, 3478/2.1=5...(8) H VAL 78 + QG1 VAL 5 OK 13 66 - 20 - 7279=6, 3.0/3485=4...(6) H GLU 37 - QG2 VAL 78 lone 8 84 - 10 - 3490/2.1=2, 3478/2.1=2 H GLU 37 - QG1 VAL 5 lone 3 48 - 7 - 8804/4.1=3 H MET 74 - QG1 VAL 5 lone 2 59 - 4 - Peak 3485 from cnoeabs.peaks (5.19, 0.72, 21.10 ppm; 3.37 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 78 + QG2 VAL 78 OK 100 100 - 100 - 3.2=100 HA VAL 78 - QG1 VAL 5 OK 20 66 - 30 - 3475=6, 3.2/3493=4...(12) Peak 3486 from cnoeabs.peaks (1.78, 0.72, 21.10 ppm; 2.92 A): 1 out of 14 assignments used, quality = 1.00: * HB VAL 78 + QG2 VAL 78 OK 100 100 - 100 - 2.1=100 HB3 LYS 82 - QG2 VAL 78 OK 19 73 - 26 - 3.0/10901=10, ~10900=4...(7) HB VAL 78 - QG1 VAL 5 OK 18 66 - 28 - 3481=6, 2.1/3493=4...(13) HB ILE 56 - QG2 VAL 78 OK 17 70 - 24 - 3492/2.1=3, 3474/3.2=3...(10) HB3 GLU 63 - QG2 VAL 78 lone 10 100 - 10 - 3492/2.1=2, 3474/3.2=1 HG3 ARG 46 - QG2 VAL 78 lone 8 97 - 8 - 3492/2.1=1, 3474/3.2=1 HB2 LYS 66 - QG2 VAL 78 lone 8 81 - 10 - 3492/2.1=2, 1.8/10350=1 HB ILE 56 - QG1 VAL 5 poor 8 38 - 20 - 9328/2.1=3, ~9306=3...(9) HB2 LYS 39 - QG2 VAL 78 lone 6 65 - 9 - 3492/2.1=1, 1.8/10350=1 HB2 LYS 39 - QG1 VAL 5 lone 3 36 - 8 - ~181=1 HB2 LYS 66 - QG1 VAL 5 lone 3 46 - 6 - HB3 LYS 82 - QG1 VAL 5 lone 2 41 - 5 - 3.0/10901=2 HB3 GLU 63 - QG1 VAL 5 lone 1 65 - 2 - HG3 ARG 46 - QG1 VAL 5 lone 0 60 - 1 - Peak 3487 from cnoeabs.peaks (0.72, 0.72, 21.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 78 + QG2 VAL 78 OK 100 100 - 100 QG1 VAL 5 + QG1 VAL 5 OK 63 63 - 100 Peak 3488 from cnoeabs.peaks (0.74, 0.72, 21.10 ppm; 2.40 A): 1 out of 19 assignments used, quality = 1.00: * QG1 VAL 78 + QG2 VAL 78 OK 100 100 - 100 - 2.1=100 QG1 VAL 54 - QG2 VAL 78 OK 23 73 - 31 - 2.1/12126=4, ~11103=4...(11) QD1 LEU 64 - QG2 VAL 78 OK 22 99 - 23 - ~10906=6, 3482/2.1=3...(10) QG1 VAL 78 - QG1 VAL 5 OK 15 66 - 22 - 3493=6, 10351/2.1=3...(6) QG2 ILE 93 - QG1 VAL 5 OK 11 63 - 18 - 10322/2.1=6, ~8176=4...(5) HG3 ARG 81 - QG1 VAL 5 OK 11 62 - 17 - 3612/2.1=4, ~3603=3...(5) QD2 LEU 27 - QG1 VAL 5 poor 9 41 - 21 - 2.1/1225=3, ~8634=3...(9) HG13 ILE 93 - QG1 VAL 5 poor 8 65 - 13 - ~10017=3, 10018/2.1=3...(4) QG1 VAL 5 - QG2 VAL 78 poor 8 61 - 13 - 2.1/10907=4, 2.1/10350=2...(5) QG1 VAL 54 - QG1 VAL 5 poor 6 41 - 15 - 12127/3.2=5, ~12128=3...(6) QD2 LEU 27 - QG2 VAL 78 lone 6 73 - 8 - 2.1/1225=1 HG3 ARG 81 - QG2 VAL 78 lone 5 98 - 5 - QG2 ILE 93 - QG2 VAL 78 lone 4 99 - 4 - HG13 ILE 93 - QG2 VAL 78 lone 3 100 - 3 - HG13 ILE 15 - QG2 VAL 78 lone 3 94 - 3 - QD1 ILE 15 - QG2 VAL 78 lone 2 81 - 2 - QD1 LEU 64 - QG1 VAL 5 lone 2 64 - 3 - HG13 ILE 15 - QG1 VAL 5 lone 1 57 - 1 - QD1 ILE 15 - QG1 VAL 5 lone 1 46 - 1 - Peak 3489 from cnoeabs.peaks (8.50, 0.72, 21.10 ppm; 3.54 A): 3 out of 12 assignments used, quality = 0.93: * H ARG 79 + QG2 VAL 78 OK 86 100 - 86 - 4.3=58, 7284/3.2=30...(9) H VAL 54 + QG2 VAL 78 OK 44 94 - 47 - 11101/3.2=22...(7) H ARG 79 + QG1 VAL 5 OK 15 66 - 23 - 7286=5, 3.6/3485=4...(7) H ALA 67 - QG2 VAL 78 poor 8 61 - 14 - 3495/2.1=2, 4.6/9531=2...(5) H THR 31 - QG2 VAL 78 lone 8 100 - 8 - 3495/2.1=2, 3483/2.1=2 H VAL 54 - QG1 VAL 5 poor 6 57 - 11 - 11106/4.0=3, 3.9/12126=2 H LEU 2 - QG2 VAL 78 lone 6 92 - 6 - 3495/2.1=1, 3483/2.1=1 H VAL 32 - QG2 VAL 78 lone 5 61 - 7 - 11114/10902=2 H THR 31 - QG1 VAL 5 lone 3 65 - 5 - 4.6/8166=2 H ALA 67 - QG1 VAL 5 lone 3 33 - 9 - 4.6/9531=2, 3.0/9525=1...(4) H VAL 32 - QG1 VAL 5 lone 2 33 - 6 - 6512/4.1=2, 3.9/10518=1 H LEU 2 - QG1 VAL 5 lone 1 55 - 2 - Peak 3490 from cnoeabs.peaks (7.75, 0.74, 21.24 ppm; 3.47 A): 2 out of 3 assignments used, quality = 0.92: * H VAL 78 + QG1 VAL 78 OK 90 100 - 90 - 4.0=66, 3.0/3491=31...(9) H MET 74 + QG1 VAL 78 OK 21 96 - 22 - 3484/2.1=6, 3478/2.1=5...(6) H GLU 37 - QG1 VAL 78 lone 8 84 - 9 - 3484/2.1=2, 3478/2.1=2...(4) Peak 3491 from cnoeabs.peaks (5.19, 0.74, 21.24 ppm; 3.08 A): 1 out of 1 assignment used, quality = 0.96: * HA VAL 78 + QG1 VAL 78 OK 96 100 - 96 - 3.2=89, 3.0/3490=16...(13) Peak 3492 from cnoeabs.peaks (1.78, 0.74, 21.24 ppm; 2.87 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 78 + QG1 VAL 78 OK 100 100 - 100 - 2.1=100 HB3 LYS 82 - QG1 VAL 78 OK 19 73 - 26 - 3.0/10900=6, ~10901=6...(10) HB ILE 56 - QG1 VAL 78 OK 16 70 - 23 - 3474/3.2=2, 3486/2.1=2...(7) HB3 GLU 63 - QG1 VAL 78 OK 11 100 - 11 - 4.6/7040=2, 3486/2.1=1 HB2 LYS 66 - QG1 VAL 78 poor 9 81 - 11 - 1.8/10351=2, 3486/2.1=1 HG3 ARG 46 - QG1 VAL 78 lone 8 97 - 8 - 3486/2.1=1, 3474/3.2=1 HB2 LYS 39 - QG1 VAL 78 lone 7 65 - 10 - 1.8/10351=2, 3.6/10289=1 Peak 3493 from cnoeabs.peaks (0.72, 0.74, 21.24 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * QG2 VAL 78 + QG1 VAL 78 OK 100 100 - 100 - 2.1=100 QG1 VAL 5 - QG1 VAL 78 OK 21 99 - 21 - 2.1/10351=3, 3488=3...(6) HG13 ILE 56 - QG1 VAL 78 OK 14 97 - 15 - 3481/2.1=2, 3475/3.2=2...(4) QD1 ILE 56 - QG1 VAL 78 OK 11 81 - 13 - 3481/2.1=2, 3475/3.2=1 QG1 VAL 58 - QG1 VAL 78 lone 9 100 - 9 - 3481/2.1=2, 9386/10900=1 QD2 LEU 27 - QG1 VAL 78 lone 7 96 - 7 - QD1 ILE 8 - QG1 VAL 78 lone 5 87 - 5 - HG3 ARG 81 - QG1 VAL 78 lone 4 65 - 6 - 1.8/3606=1 QD2 LEU 14 - QG1 VAL 78 lone 3 84 - 4 - Peak 3494 from cnoeabs.peaks (0.74, 0.74, 21.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 78 + QG1 VAL 78 OK 100 100 - 100 Peak 3495 from cnoeabs.peaks (8.50, 0.74, 21.24 ppm; 3.41 A): 2 out of 6 assignments used, quality = 0.90: * H ARG 79 + QG1 VAL 78 OK 82 100 - 83 - 4.3=52, 7284/3.2=28...(9) H VAL 54 + QG1 VAL 78 OK 44 94 - 47 - 11101/3.2=21, 3483/2.1=8...(8) H ALA 67 - QG1 VAL 78 poor 8 61 - 13 - 3489/2.1=1, 3483/2.1=1...(4) H THR 31 - QG1 VAL 78 lone 7 100 - 7 - 3483/2.1=1, 3489/2.1=1 H LEU 2 - QG1 VAL 78 lone 6 92 - 6 - 3483/2.1=1, 3489/2.1=1 H VAL 32 - QG1 VAL 78 lone 3 61 - 5 - 11114/10903=1 Peak 3496 from cnoeabs.peaks (8.50, 4.71, 54.12 ppm; 6.50 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 79 + HA ARG 79 OK 100 100 - 100 - 3.0=100 H THR 31 + HA ARG 79 OK 58 100 - 58 - 3505/3.0=13, 3514/3.0=11...(10) H VAL 54 - HA ARG 79 OK 28 94 - 30 - ~2481=6, 3514/3.0=5...(10) H LEU 2 - HA ARG 79 OK 27 92 - 29 - 7297/3.6=7, ~44=6...(10) H ALA 67 - HA ARG 79 poor 9 61 - 14 - 9518/9711=3, 7297/3.6=1...(4) H VAL 32 - HA ARG 79 poor 6 61 - 11 - 3505/3.0=2, 3514/3.0=1 Peak 3497 from cnoeabs.peaks (4.71, 4.71, 54.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 79 + HA ARG 79 OK 100 100 - 100 Peak 3498 from cnoeabs.peaks (1.60, 4.71, 54.12 ppm; 5.90 A): 2 out of 13 assignments used, quality = 1.00: * HB2 ARG 79 + HA ARG 79 OK 100 100 - 100 - 3.0=100 HB2 ARG 30 + HA ARG 79 OK 86 100 - 86 - 1328/3.0=13, 3516/3.0=11...(30) HG LEU 27 - HA ARG 79 OK 44 100 - 44 - ~10908=5, 3516/3.0=5...(15) HB3 LEU 29 - HA ARG 79 OK 23 99 - 23 - ~12049=4, ~12050=4...(7) HG3 LYS 73 - HA ARG 79 OK 18 100 - 18 - 7289/3.0=2, 3.0/3499=2...(7) HB2 LEU 103 - HA ARG 79 OK 18 77 - 22 - 3516/3.0=2, 4477/4.1=1...(10) HG LEU 103 - HA ARG 79 OK 13 65 - 19 - 3516/3.0=1, ~3516=1...(6) HD3 LYS 94 - HA ARG 79 OK 11 100 - 11 - 7299/3.6=2, 7289/3.0=1 HD2 LYS 66 - HA ARG 79 OK 11 100 - 11 - 2940/3.0=2, ~2951=1 HG3 LYS 12 - HA ARG 79 lone 6 98 - 6 - HG2 ARG 19 - HA ARG 79 lone 5 77 - 6 - HG3 LYS 90 - HA ARG 79 lone 5 73 - 6 - 7299/3.6=1 HG2 LYS 24 - HA ARG 79 lone 3 81 - 4 - Peak 3499 from cnoeabs.peaks (1.65, 4.71, 54.12 ppm; 6.46 A): 2 out of 12 assignments used, quality = 1.00: * HB3 ARG 79 + HA ARG 79 OK 100 100 - 100 - 3.0=100 HB3 LEU 6 + HA ARG 79 OK 56 98 - 58 - 3508/3.0=7, ~196=6...(21) HB ILE 76 - HA ARG 79 OK 29 92 - 31 - ~9628=12, 7290/3.0=6...(6) HD2 LYS 68 - HA ARG 79 OK 24 100 - 24 - 7300/3.6=4, 10261/9711=3...(7) HD3 LYS 68 - HA ARG 79 OK 24 100 - 24 - 7300/3.6=4, 10261/9711=3...(7) HG2 LYS 68 - HA ARG 79 OK 23 87 - 26 - 10256/9711=5, 7300/3.6=5...(7) HD3 LYS 73 - HA ARG 79 OK 20 90 - 22 - 3508/3.0=2, 3.0/3498=2...(7) HD2 LYS 73 - HA ARG 79 OK 19 84 - 22 - 3.0/3498=2, ~3508=2...(7) HD2 LYS 39 - HA ARG 79 OK 15 100 - 15 - 7290/3.0=2, 7300/3.6=2...(5) HB ILE 52 - HA ARG 79 OK 13 73 - 17 - 7300/3.6=6, ~11126=4, 7290/3.0=2 HB2 LYS 40 - HA ARG 79 OK 11 96 - 11 - 3.5/3693=1, 3.5/3693=1 HD3 LYS 39 - HA ARG 79 OK 11 84 - 13 - ~7290=2, 7290/3.0=2, 7300/3.6=1 Peak 3500 from cnoeabs.peaks (1.53, 4.71, 54.12 ppm; 3.88 A): 3 out of 12 assignments used, quality = 1.00: * HG2 ARG 79 + HA ARG 79 OK 97 100 - 97 - 4.1=87, 1.8/3533=14...(26) HG3 ARG 79 + HA ARG 79 OK 97 100 - 97 - 4.1=87, 1.8/3533=14...(26) HG3 ARG 30 + HA ARG 79 OK 59 99 - 60 - 3524=7, 3510/3.0=6...(26) HG12 ILE 56 - HA ARG 79 OK 35 100 - 35 - ~9309=5, 3.2/9305=5...(13) HG LEU 6 - HA ARG 79 OK 20 94 - 22 - 3518/3.0=3, ~228=2...(11) HG LEU 2 - HA ARG 79 poor 9 61 - 15 - ~84=3, ~76=2, ~60=2...(7) HB3 LEU 103 - HA ARG 79 lone 8 90 - 9 - HB2 LEU 14 - HA ARG 79 lone 8 87 - 9 - 7302/3.6=2, 12206/9711=1 HD3 LYS 53 - HA ARG 79 lone 6 65 - 8 - ~2447=2, 2458/3.0=1 HB ILE 7 - HA ARG 79 lone 4 87 - 5 - HB2 LEU 3 - HA ARG 79 lone 2 61 - 4 - 7302/3.6=1 HG2 LYS 33 - HA ARG 79 lone 1 81 - 2 - Peak 3501 from cnoeabs.peaks (1.53, 4.71, 54.12 ppm; 3.88 A): 3 out of 11 assignments used, quality = 1.00: * HG3 ARG 79 + HA ARG 79 OK 97 100 - 97 - 4.1=87, 1.8/3533=14...(26) HG2 ARG 79 + HA ARG 79 OK 97 100 - 97 - 4.1=87, 1.8/3533=14...(26) HG3 ARG 30 + HA ARG 79 OK 59 99 - 60 - 3524=7, 3510/3.0=6...(26) HG12 ILE 56 - HA ARG 79 OK 35 99 - 35 - ~9309=5, 3.2/9305=5...(13) HG LEU 6 - HA ARG 79 OK 20 92 - 22 - 3518/3.0=3, ~228=2...(11) HB3 LEU 103 - HA ARG 79 lone 8 87 - 9 - HB2 LEU 14 - HA ARG 79 lone 7 84 - 9 - 7302/3.6=2, 12206/9711=1 HD3 LYS 53 - HA ARG 79 lone 6 70 - 9 - ~2447=2, 2458/3.0=2 HB ILE 7 - HA ARG 79 lone 4 84 - 5 - HB2 LEU 3 - HA ARG 79 lone 3 65 - 4 - 7302/3.6=1 HG2 LYS 33 - HA ARG 79 lone 1 84 - 2 - Peak 3502 from cnoeabs.peaks (3.07, 4.71, 54.12 ppm; 4.31 A): 3 out of 7 assignments used, quality = 1.00: * HD2 ARG 79 + HA ARG 79 OK 90 100 - 90 - 5.3=52, 1.8/3551=18...(24) HD3 ARG 79 + HA ARG 79 OK 90 100 - 90 - 5.3=52, 1.8/3542=18...(24) HD3 ARG 30 + HA ARG 79 OK 52 87 - 60 - 7294/3.0=7, 3512/3.0=7...(24) HB3 ASN 60 - HA ARG 79 OK 10 84 - 12 - 4.0/9421=6, 9438/3.6=3 HB3 ASN 26 - HA ARG 79 lone 7 99 - 7 - 3511/3.0=1, 7293/3.0=1 HB3 HIS 105 - HA ARG 79 lone 2 97 - 2 - HB3 HIS 106 - HA ARG 79 lone 1 65 - 1 - Peak 3503 from cnoeabs.peaks (3.07, 4.71, 54.12 ppm; 4.31 A): 3 out of 6 assignments used, quality = 1.00: * HD3 ARG 79 + HA ARG 79 OK 90 100 - 90 - 5.3=52, 1.8/3542=18...(24) HD2 ARG 79 + HA ARG 79 OK 90 100 - 90 - 5.3=52, 1.8/3551=18...(24) HD3 ARG 30 + HA ARG 79 OK 56 92 - 61 - 7294/3.0=7, 3512/3.0=7...(24) HB3 ASN 60 - HA ARG 79 poor 9 77 - 12 - 4.0/9421=6, 9438/3.6=3 HB3 ASN 26 - HA ARG 79 lone 7 97 - 7 - 3511/3.0=1, 7293/3.0=1 HB3 HIS 105 - HA ARG 79 lone 2 94 - 2 - Peak 3504 from cnoeabs.peaks (8.42, 4.71, 54.12 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * H THR 80 + HA ARG 79 OK 100 100 - 100 - 3.6=100 H GLU 62 - HA ARG 79 OK 20 90 - 22 - 3513/3.0=5, 3522/3.0=5...(8) Peak 3505 from cnoeabs.peaks (8.50, 1.60, 31.20 ppm; 4.94 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 79 + HB2 ARG 79 OK 100 100 - 100 - 4.1=100 H THR 31 + HB2 ARG 79 OK 55 100 - 55 - 3514/1.8=10, 6493=8...(14) H VAL 54 - HB2 ARG 79 OK 19 94 - 20 - 3514/1.8=5, 3496/3.0=3...(8) H LEU 2 - HB2 ARG 79 OK 16 92 - 18 - 7297/4.6=4, 3514/1.8=3...(5) H VAL 32 - HB2 ARG 79 poor 8 61 - 13 - 4.6/6493=5, 3514/1.8=1 H ALA 67 - HB2 ARG 79 lone 6 61 - 9 - 3514/1.8=1 Peak 3506 from cnoeabs.peaks (4.71, 1.60, 31.20 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 79 + HB2 ARG 79 OK 100 100 - 100 - 3.0=100 HA LYS 82 - HB2 ARG 79 OK 35 90 - 39 - 3515/1.8=10, 7288/4.1=7...(10) Peak 3507 from cnoeabs.peaks (1.60, 1.60, 31.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 79 + HB2 ARG 79 OK 100 100 - 100 Peak 3508 from cnoeabs.peaks (1.65, 1.60, 31.20 ppm; 3.25 A): 1 out of 12 assignments used, quality = 1.00: * HB3 ARG 79 + HB2 ARG 79 OK 100 100 - 100 - 1.8=100 HB3 LEU 6 - HB2 ARG 79 OK 27 98 - 28 - ~196=3, 3535/3.0=2...(17) HD3 LYS 73 - HB2 ARG 79 lone 8 90 - 9 - HD2 LYS 73 - HB2 ARG 79 lone 8 84 - 9 - HD2 LYS 68 - HB2 ARG 79 lone 6 100 - 6 - HD3 LYS 68 - HB2 ARG 79 lone 6 100 - 6 - HB ILE 76 - HB2 ARG 79 lone 5 92 - 6 - 7290/4.1=2 HG2 LYS 68 - HB2 ARG 79 lone 5 87 - 6 - 7300/4.6=1 HD2 LYS 39 - HB2 ARG 79 lone 4 100 - 3 - HB ILE 52 - HB2 ARG 79 lone 3 73 - 4 - 7300/4.6=2 HB2 LYS 40 - HB2 ARG 79 lone 3 96 - 3 - HD3 LYS 39 - HB2 ARG 79 lone 3 84 - 3 - Peak 3509 from cnoeabs.peaks (1.53, 1.60, 31.20 ppm; 3.10 A): 3 out of 12 assignments used, quality = 1.00: * HG2 ARG 79 + HB2 ARG 79 OK 100 100 - 100 - 3.0=100 HG3 ARG 79 + HB2 ARG 79 OK 100 100 - 100 - 3.0=100 HG3 ARG 30 + HB2 ARG 79 OK 50 99 - 50 - 1.8/1340=5, 3519/1.8=5...(27) HG12 ILE 56 - HB2 ARG 79 OK 23 100 - 23 - 4.9/9698=4, 3519/1.8=2...(9) HG LEU 6 - HB2 ARG 79 OK 21 94 - 23 - 3.0/3508=3, 212/1.8=3...(6) HB3 LEU 103 - HB2 ARG 79 lone 8 90 - 8 - HB2 LEU 14 - HB2 ARG 79 lone 4 87 - 5 - HB ILE 7 - HB2 ARG 79 lone 3 87 - 4 - HB2 LEU 3 - HB2 ARG 79 lone 3 61 - 4 - HG LEU 2 - HB2 ARG 79 lone 3 61 - 4 - HD3 LYS 53 - HB2 ARG 79 lone 1 65 - 2 - HG2 LYS 33 - HB2 ARG 79 lone 1 81 - 2 - Peak 3510 from cnoeabs.peaks (1.53, 1.60, 31.20 ppm; 3.10 A): 3 out of 11 assignments used, quality = 1.00: * HG3 ARG 79 + HB2 ARG 79 OK 100 100 - 100 - 3.0=100 HG2 ARG 79 + HB2 ARG 79 OK 100 100 - 100 - 3.0=100 HG3 ARG 30 + HB2 ARG 79 OK 49 99 - 50 - 1.8/1340=5, 3519/1.8=5...(27) HG12 ILE 56 - HB2 ARG 79 OK 23 99 - 23 - 4.9/9698=4, 3519/1.8=2...(9) HG LEU 6 - HB2 ARG 79 OK 21 92 - 23 - 3.0/3508=3, 3518/1.8=3...(6) HB3 LEU 103 - HB2 ARG 79 lone 7 87 - 8 - HB2 LEU 14 - HB2 ARG 79 lone 4 84 - 5 - HB ILE 7 - HB2 ARG 79 lone 3 84 - 4 - HB2 LEU 3 - HB2 ARG 79 lone 3 65 - 4 - HD3 LYS 53 - HB2 ARG 79 lone 2 70 - 2 - HG2 LYS 33 - HB2 ARG 79 lone 1 84 - 2 - Peak 3511 from cnoeabs.peaks (3.07, 1.60, 31.20 ppm; 4.25 A): 3 out of 7 assignments used, quality = 1.00: * HD2 ARG 79 + HB2 ARG 79 OK 100 100 - 100 - 3.8=100 HD3 ARG 79 + HB2 ARG 79 OK 100 100 - 100 - 3.8=100 HD3 ARG 30 + HB2 ARG 79 OK 61 87 - 70 - 1.8/1358=9, 3521/1.8=8...(27) HB3 ASN 26 - HB2 ARG 79 OK 12 99 - 12 - 4.7/6442=4, 3.8/8618=2 HB3 ASN 60 - HB2 ARG 79 lone 6 84 - 7 - 9438/4.6=2, 3502/3.0=1 HB3 HIS 105 - HB2 ARG 79 lone 2 97 - 2 - HB3 HIS 106 - HB2 ARG 79 lone 1 65 - 1 - Peak 3512 from cnoeabs.peaks (3.07, 1.60, 31.20 ppm; 4.25 A): 3 out of 6 assignments used, quality = 1.00: * HD3 ARG 79 + HB2 ARG 79 OK 100 100 - 100 - 3.8=100 HD2 ARG 79 + HB2 ARG 79 OK 100 100 - 100 - 3.8=100 HD3 ARG 30 + HB2 ARG 79 OK 65 92 - 71 - 1.8/1358=9, 1367=9...(27) HB3 ASN 26 - HB2 ARG 79 OK 12 97 - 12 - 4.7/6442=4, 3.8/8618=2 HB3 ASN 60 - HB2 ARG 79 lone 5 77 - 7 - 9438/4.6=2, 3502/3.0=1 HB3 HIS 105 - HB2 ARG 79 lone 2 94 - 2 - Peak 3513 from cnoeabs.peaks (8.42, 1.60, 31.20 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * H THR 80 + HB2 ARG 79 OK 100 100 - 100 - 4.6=100 H GLU 62 - HB2 ARG 79 OK 30 90 - 33 - 3522/1.8=9, 3504/3.0=7...(7) Peak 3514 from cnoeabs.peaks (8.50, 1.65, 31.20 ppm; 4.93 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 79 + HB3 ARG 79 OK 100 100 - 100 - 4.1=100 H THR 31 + HB3 ARG 79 OK 47 100 - 47 - 3505/1.8=11, 6498/3.8=8...(9) H VAL 54 - HB3 ARG 79 OK 22 94 - 23 - 3505/1.8=4, 4.0/10655=3...(10) H LEU 2 - HB3 ARG 79 OK 16 92 - 17 - 7297/4.6=4, 3505/1.8=3...(4) H VAL 32 - HB3 ARG 79 lone 6 61 - 9 - 3505/1.8=2, 4.0/10160=1 H ALA 67 - HB3 ARG 79 lone 5 61 - 8 - 3505/1.8=1 Peak 3515 from cnoeabs.peaks (4.71, 1.65, 31.20 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 79 + HB3 ARG 79 OK 100 100 - 100 - 3.0=100 HA LYS 82 - HB3 ARG 79 OK 37 90 - 41 - 3506/1.8=10, 7288/4.1=7...(10) Peak 3516 from cnoeabs.peaks (1.60, 1.65, 31.20 ppm; 3.14 A): 2 out of 13 assignments used, quality = 1.00: * HB2 ARG 79 + HB3 ARG 79 OK 100 100 - 100 - 1.8=100 HB2 ARG 30 + HB3 ARG 79 OK 46 100 - 46 - 1325/3.0=4, 2.9/3519=4...(24) HG LEU 27 - HB3 ARG 79 OK 22 100 - 22 - 4.3/12328=7, ~1216=2...(8) HB2 LEU 103 - HB3 ARG 79 poor 8 77 - 10 - HG3 LYS 73 - HB3 ARG 79 lone 7 100 - 7 - HB3 LEU 29 - HB3 ARG 79 lone 7 99 - 7 - 7289/4.1=1 HG LEU 103 - HB3 ARG 79 lone 6 65 - 8 - HD3 LYS 94 - HB3 ARG 79 lone 4 100 - 4 - HD2 LYS 66 - HB3 ARG 79 lone 3 100 - 3 - HG3 LYS 12 - HB3 ARG 79 lone 2 98 - 2 - HG3 LYS 90 - HB3 ARG 79 lone 1 73 - 2 - HG2 ARG 19 - HB3 ARG 79 lone 1 77 - 2 - HG2 LYS 24 - HB3 ARG 79 lone 1 81 - 1 - Peak 3517 from cnoeabs.peaks (1.65, 1.65, 31.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 79 + HB3 ARG 79 OK 100 100 - 100 Peak 3518 from cnoeabs.peaks (1.53, 1.65, 31.20 ppm; 3.26 A): 3 out of 12 assignments used, quality = 1.00: * HG2 ARG 79 + HB3 ARG 79 OK 100 100 - 100 - 3.0=100 HG3 ARG 79 + HB3 ARG 79 OK 100 100 - 100 - 3.0=100 HG3 ARG 30 + HB3 ARG 79 OK 52 99 - 53 - 2.9/3516=6, 3510/1.8=6...(26) HG LEU 6 - HB3 ARG 79 OK 29 94 - 31 - 212=4, 2.1/228=4...(11) HG12 ILE 56 - HB3 ARG 79 OK 25 100 - 25 - 3.2/10672=4, 3510/1.8=3...(10) HB3 LEU 103 - HB3 ARG 79 poor 10 90 - 10 - 1.8/3516=1 HB2 LEU 14 - HB3 ARG 79 lone 5 87 - 6 - HB ILE 7 - HB3 ARG 79 lone 5 87 - 6 - 4.0/6074=1 HG LEU 2 - HB3 ARG 79 lone 3 61 - 5 - 68/4.1=1 HB2 LEU 3 - HB3 ARG 79 lone 3 61 - 5 - HD3 LYS 53 - HB3 ARG 79 lone 2 65 - 3 - HG2 LYS 33 - HB3 ARG 79 lone 2 81 - 2 - Peak 3519 from cnoeabs.peaks (1.53, 1.65, 31.20 ppm; 3.26 A): 3 out of 11 assignments used, quality = 1.00: * HG3 ARG 79 + HB3 ARG 79 OK 100 100 - 100 - 3.0=100 HG2 ARG 79 + HB3 ARG 79 OK 100 100 - 100 - 3.0=100 HG3 ARG 30 + HB3 ARG 79 OK 52 99 - 53 - 2.9/3516=6, 3510/1.8=6...(26) HG LEU 6 - HB3 ARG 79 OK 28 92 - 31 - 2.1/228=4, 212=4...(11) HG12 ILE 56 - HB3 ARG 79 OK 25 99 - 25 - 3.2/10672=4, 3510/1.8=3...(10) HB3 LEU 103 - HB3 ARG 79 poor 9 87 - 10 - 1.8/3516=1 HB2 LEU 14 - HB3 ARG 79 lone 5 84 - 6 - HB ILE 7 - HB3 ARG 79 lone 5 84 - 6 - 4.0/6074=1 HB2 LEU 3 - HB3 ARG 79 lone 3 65 - 5 - 8080/12328=1 HD3 LYS 53 - HB3 ARG 79 lone 2 70 - 3 - HG2 LYS 33 - HB3 ARG 79 lone 2 84 - 2 - Peak 3520 from cnoeabs.peaks (3.07, 1.65, 31.20 ppm; 4.40 A): 3 out of 7 assignments used, quality = 1.00: * HD2 ARG 79 + HB3 ARG 79 OK 100 100 - 100 - 3.8=100 HD3 ARG 79 + HB3 ARG 79 OK 100 100 - 100 - 3.8=100 HD3 ARG 30 + HB3 ARG 79 OK 59 87 - 68 - 3512/1.8=9, 3.6/3516=8...(24) HB3 ASN 26 - HB3 ARG 79 lone 7 99 - 7 - 3511/1.8=2 HB3 ASN 60 - HB3 ARG 79 lone 6 84 - 7 - 9438/4.6=2, 3502/3.0=1 HB3 HIS 105 - HB3 ARG 79 lone 2 97 - 2 - HB3 HIS 106 - HB3 ARG 79 lone 1 65 - 2 - Peak 3521 from cnoeabs.peaks (3.07, 1.65, 31.20 ppm; 4.40 A): 3 out of 6 assignments used, quality = 1.00: * HD3 ARG 79 + HB3 ARG 79 OK 100 100 - 100 - 3.8=100 HD2 ARG 79 + HB3 ARG 79 OK 100 100 - 100 - 3.8=100 HD3 ARG 30 + HB3 ARG 79 OK 63 92 - 69 - 3512/1.8=9, 3.6/3516=8...(25) HB3 ASN 26 - HB3 ARG 79 lone 7 97 - 7 - 3511/1.8=2 HB3 ASN 60 - HB3 ARG 79 lone 5 77 - 7 - 9438/4.6=2, 3502/3.0=1 HB3 HIS 105 - HB3 ARG 79 lone 2 94 - 2 - Peak 3522 from cnoeabs.peaks (8.42, 1.65, 31.20 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * H THR 80 + HB3 ARG 79 OK 100 100 - 100 - 4.6=100 H GLU 62 - HB3 ARG 79 OK 31 90 - 34 - 3513/1.8=10, 3504/3.0=7...(7) Peak 3523 from cnoeabs.peaks (8.50, 1.53, 26.76 ppm; 4.11 A): 5 out of 24 assignments used, quality = 1.00: * H ARG 79 + HG2 ARG 79 OK 94 100 - 94 - 4.7=69, 7290/3.0=14...(23) H ARG 79 + HG3 ARG 79 OK 94 100 - 94 - 4.7=69, 7290/3.0=14...(23) H THR 31 + HG3 ARG 30 OK 51 65 - 79 - 6492/3.9=34, 6494/2.9=18...(9) H THR 31 + HG2 ARG 79 OK 47 100 - 47 - 6498/3.0=7, 6496=6...(14) H THR 31 + HG3 ARG 79 OK 46 100 - 47 - 6498/3.0=7, 6498/3.0=6...(14) H ARG 79 - HG3 ARG 30 OK 38 66 - 58 - 1328/2.9=8, 7292=7...(17) H VAL 54 - HG2 ARG 79 OK 21 94 - 22 - 4.6/10659=3, 3514/3.0=3...(10) H VAL 54 - HG3 ARG 79 OK 21 94 - 22 - 4.6/10659=3, 3514/3.0=3...(10) H THR 31 - HG LEU 6 OK 21 50 - 42 - 8737/2.1=16, 6496=6...(10) H VAL 54 - HG3 ARG 30 OK 13 57 - 22 - 6489/4.9=3, 1328/2.9=3...(9) H LEU 2 - HG3 ARG 79 OK 11 91 - 12 - 3514/3.0=2, 3505/3.0=2 H LEU 2 - HG2 ARG 79 OK 11 92 - 12 - 3514/3.0=2, 3505/3.0=2 H ARG 79 - HG LEU 6 OK 11 50 - 22 - 7290/3.0=3, 4.1/3518=2...(7) H VAL 32 - HG3 ARG 30 poor 9 33 - 28 - 10513/2.9=5, 4.6/6496=4...(8) H LEU 2 - HG3 ARG 30 poor 8 55 - 14 - 1328/2.9=2, 1337/2.9=2...(6) H VAL 54 - HG LEU 6 poor 7 43 - 17 - 4.0/10209=4, 4.0/10207=4...(5) H VAL 32 - HG2 ARG 79 poor 6 61 - 10 - 4.6/6496=3 H VAL 32 - HG3 ARG 79 poor 6 61 - 10 - 4.6/6496=3 H VAL 32 - HG LEU 6 poor 3 25 - 13 - 4.0/10159=3, 4.6/6496=2...(5) H ALA 67 - HG3 ARG 30 lone 3 33 - 9 - 1328/2.9=1, 1337/2.9=1 H ALA 67 - HG2 ARG 79 lone 3 61 - 5 - H ALA 67 - HG3 ARG 79 lone 3 61 - 5 - H LEU 2 - HG LEU 6 lone 2 42 - 6 - H ALA 67 - HG LEU 6 lone 1 25 - 3 - Peak 3524 from cnoeabs.peaks (4.71, 1.53, 26.76 ppm; 3.66 A): 2 out of 8 assignments used, quality = 0.99: * HA ARG 79 + HG2 ARG 79 OK 93 100 - 93 - 4.1=73, 3551/3.0=11...(26) HA ARG 79 + HG3 ARG 79 OK 92 100 - 93 - 4.1=73, 3551/3.0=11...(26) HA ARG 79 - HG3 ARG 30 OK 36 66 - 55 - 3501=7, 3.0/3510=5...(26) HA LYS 82 - HG2 ARG 79 OK 21 90 - 23 - 3515/3.0=6, 3506/3.0=6...(5) HA LYS 82 - HG3 ARG 79 OK 20 89 - 23 - 3515/3.0=6, 3506/3.0=6...(5) HA ARG 79 - HG LEU 6 poor 10 50 - 20 - 3.0/3518=3, 3501=2...(10) HA LYS 82 - HG3 ARG 30 lone 3 53 - 5 - 3647/4.9=2 HA LYS 82 - HG LEU 6 lone 2 40 - 6 - ~9755=1, ~9759=1, ~9757=1 Peak 3525 from cnoeabs.peaks (1.60, 1.53, 26.76 ppm; 2.62 A): 3 out of 52 assignments used, quality = 0.98: * HB2 ARG 79 + HG2 ARG 79 OK 80 100 - 80 - 3.0=68, 1.8/3535=7...(17) HB2 ARG 79 + HG3 ARG 79 OK 80 100 - 80 - 3.0=68, 1.8/3535=7...(17) HB2 ARG 30 + HG3 ARG 30 OK 49 65 - 76 - 2.9=71, ~1366=4, ~1357=4...(7) HB2 ARG 30 - HG3 ARG 79 OK 43 100 - 43 - 3516/3.0=4, 2.9/1343=3...(23) HB2 ARG 30 - HG2 ARG 79 OK 43 100 - 43 - 3516/3.0=4, 1.8/1334=3...(24) HB2 ARG 79 - HG3 ARG 30 OK 24 66 - 36 - 3510=5, 1.8/3519=3...(16) HB2 ARG 30 - HG LEU 6 OK 15 50 - 30 - 8696/3.7=5, 8717/2.1=5...(12) HD3 LYS 94 - HG3 ARG 30 OK 14 66 - 21 - 4246/2.9=4, 1340/1.8=2...(8) HG LEU 27 - HG3 ARG 79 OK 12 100 - 12 - 3516/3.0=2, ~10139=1 HG LEU 27 - HG2 ARG 79 OK 12 100 - 12 - 3516/3.0=2, ~10139=1 HB3 LEU 29 - HG3 ARG 30 poor 9 64 - 14 - 4.3/6486=2, 1331/2.9=2...(6) HB2 LEU 103 - HG2 ARG 79 poor 8 77 - 10 - 4477=1 HB2 LEU 103 - HG3 ARG 79 poor 8 77 - 10 - 4477=1 HB2 ARG 79 - HG LEU 6 poor 8 50 - 16 - 3508/3.0=2, 3509=2...(6) HG LEU 27 - HG3 ARG 30 poor 7 66 - 10 - ~10138=1, ~10139=1...(5) HG3 LYS 90 - HG3 ARG 30 poor 7 41 - 16 - 3961/1.8=2, ~3928=2...(9) HG LEU 103 - HG2 ARG 79 lone 6 65 - 9 - 2.1/4501=1 HG LEU 103 - HG3 ARG 79 lone 6 65 - 9 - 2.1/4501=1 HB3 LEU 29 - HG2 ARG 79 lone 5 99 - 5 - 4.3/6486=1 HB3 LEU 29 - HG3 ARG 79 lone 5 99 - 5 - 4.3/6486=1 HG3 LYS 73 - HG2 ARG 79 lone 3 100 - 3 - HG3 LYS 73 - HG3 ARG 79 lone 3 100 - 3 - HB2 LEU 103 - HG LEU 6 poor 3 32 - 10 - ~10231=2, 4477=1...(4) HB2 LEU 103 - HG3 ARG 30 lone 3 44 - 7 - HG LEU 103 - HG LEU 6 poor 3 27 - 11 - ~10231=3, 2.1/4501=2, 2.1/4509=1 HD3 LYS 94 - HG2 ARG 79 lone 2 100 - 2 - HD3 LYS 94 - HG3 ARG 79 lone 2 100 - 2 - HD2 LYS 66 - HG3 ARG 30 lone 2 66 - 3 - HG LEU 103 - HG3 ARG 30 lone 2 36 - 5 - HG LEU 27 - HG LEU 6 lone 2 50 - 3 - HD2 LYS 66 - HG2 ARG 79 lone 1 100 - 1 - HD2 LYS 66 - HG3 ARG 79 lone 1 100 - 1 - HB3 LEU 29 - HG LEU 6 lone 1 49 - 3 - 4.3/6486=1 HG3 LYS 12 - HG3 ARG 30 lone 1 62 - 2 - HG3 LYS 12 - HG2 ARG 79 lone 1 98 - 1 - HG3 LYS 12 - HG3 ARG 79 lone 1 98 - 1 - HG2 ARG 19 - HG3 ARG 30 lone 1 44 - 2 - HG3 LYS 90 - HG2 ARG 79 lone 1 73 - 1 - HG3 LYS 90 - HG3 ARG 79 lone 1 73 - 1 - HG3 LYS 73 - HG3 ARG 30 lone 1 66 - 1 - HG2 ARG 19 - HG2 ARG 79 lone 1 77 - 1 - HG2 ARG 19 - HG3 ARG 79 lone 1 77 - 1 - HG2 LYS 24 - HG2 ARG 79 lone 0 81 - 1 - HG2 LYS 24 - HG3 ARG 79 lone 0 80 - 1 - HG3 LYS 73 - HG LEU 6 lone 0 50 - 1 - HD3 LYS 94 - HG LEU 6 lone 0 50 - 1 - HG2 LYS 24 - HG3 ARG 30 lone 0 46 - 1 - HG3 LYS 12 - HG LEU 6 lone 0 47 - 1 - HD2 LYS 66 - HG LEU 6 lone 0 50 - 1 - HG2 LYS 24 - HG LEU 6 lone 0 34 - 0 - HG2 ARG 19 - HG LEU 6 lone 0 32 - 1 - HG3 LYS 90 - HG LEU 6 lone 0 30 - 1 - Peak 3526 from cnoeabs.peaks (1.65, 1.53, 26.76 ppm; 2.89 A): 2 out of 48 assignments used, quality = 1.00: * HB3 ARG 79 + HG2 ARG 79 OK 95 100 - 95 - 3.0=92, 1.8/3534=7...(18) HB3 ARG 79 + HG3 ARG 79 OK 95 100 - 95 - 3.0=92, 1.8/3534=7...(18) HB3 LEU 6 - HG LEU 6 OK 44 47 - 94 - 3.0=92, ~218=9, ~190=4...(7) HB3 ARG 79 - HG3 ARG 30 OK 29 66 - 44 - 3519=5, 1.8/3510=5...(25) HB3 LEU 6 - HG3 ARG 79 OK 28 98 - 29 - 3508/3.0=3, 205/1.8=2...(13) HB3 LEU 6 - HG2 ARG 79 OK 25 98 - 26 - 3508/3.0=3, 205/1.8=2...(11) HB3 LEU 6 - HG3 ARG 30 OK 23 62 - 37 - ~8699=5, ~8696=5...(16) HB3 ARG 79 - HG LEU 6 OK 12 50 - 23 - 3518=3, 228/2.1=3...(7) HB ILE 52 - HG LEU 6 poor 6 30 - 19 - ~223=2, 2348/2.1=2...(10) HB ILE 76 - HG LEU 6 poor 5 42 - 12 - 220/2.1=2, 228/2.1=2...(5) HD2 LYS 68 - HG LEU 6 lone 5 50 - 9 - 196/3.0=1, 228/2.1=1, 220/2.1=1 HD3 LYS 68 - HG LEU 6 lone 5 50 - 9 - 196/3.0=1, 228/2.1=1, 220/2.1=1 HD3 LYS 73 - HG2 ARG 79 lone 4 90 - 5 - HD3 LYS 73 - HG3 ARG 79 lone 4 89 - 5 - HD2 LYS 68 - HG2 ARG 79 lone 4 100 - 4 - HD3 LYS 68 - HG2 ARG 79 lone 4 100 - 4 - HD2 LYS 68 - HG3 ARG 79 lone 4 100 - 4 - HD3 LYS 68 - HG3 ARG 79 lone 4 100 - 4 - HD2 LYS 39 - HG LEU 6 lone 4 50 - 8 - 220/2.1=1, 228/2.1=1 HD2 LYS 73 - HG2 ARG 79 lone 4 84 - 5 - HD2 LYS 73 - HG3 ARG 79 lone 4 83 - 5 - HB ILE 76 - HG2 ARG 79 lone 4 92 - 4 - 7290/4.7=1 HB ILE 76 - HG3 ARG 79 lone 4 91 - 4 - 7290/4.7=1 HG2 LYS 68 - HG2 ARG 79 lone 3 87 - 4 - HG2 LYS 68 - HG3 ARG 79 lone 3 86 - 4 - HG2 LYS 68 - HG LEU 6 lone 3 38 - 9 - 228/2.1=1, 220/2.1=1, 196/3.0=1 HB ILE 76 - HG3 ARG 30 lone 3 55 - 5 - ~10883=1, 10884/1.8=1 HD3 LYS 39 - HG LEU 6 lone 3 36 - 8 - 220/2.1=1, 228/2.1=1 HD2 LYS 39 - HG2 ARG 79 lone 2 100 - 2 - HD2 LYS 39 - HG3 ARG 79 lone 2 100 - 2 - HB2 LYS 40 - HG3 ARG 30 lone 2 59 - 4 - HB ILE 52 - HG3 ARG 79 lone 2 73 - 3 - HB2 LYS 40 - HG LEU 6 lone 2 45 - 4 - HB ILE 52 - HG2 ARG 79 lone 2 73 - 3 - HB2 LYS 40 - HG2 ARG 79 lone 2 96 - 2 - HD3 LYS 39 - HG2 ARG 79 lone 2 84 - 2 - HB2 LYS 40 - HG3 ARG 79 lone 2 95 - 2 - HD3 LYS 39 - HG3 ARG 79 lone 2 83 - 2 - HB ILE 52 - HG3 ARG 30 lone 1 41 - 4 - HD2 LYS 68 - HG3 ARG 30 lone 1 66 - 1 - HD3 LYS 68 - HG3 ARG 30 lone 1 65 - 1 - HD3 LYS 73 - HG LEU 6 lone 1 40 - 2 - HG2 LYS 68 - HG3 ARG 30 lone 1 51 - 1 - HD3 LYS 73 - HG3 ARG 30 lone 1 53 - 1 - HD2 LYS 73 - HG LEU 6 lone 1 36 - 2 - HD2 LYS 73 - HG3 ARG 30 lone 1 49 - 1 - HD2 LYS 39 - HG3 ARG 30 lone 0 66 - 1 - HD3 LYS 39 - HG3 ARG 30 lone 0 49 - 1 - Peak 3527 from cnoeabs.peaks (1.53, 1.53, 26.76 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HG2 ARG 79 + HG2 ARG 79 OK 100 100 - 100 HG3 ARG 79 + HG3 ARG 79 OK 100 100 - 100 HG3 ARG 30 + HG3 ARG 30 OK 64 64 - 100 HG LEU 6 - HG LEU 6 OK 43 43 - 100 Peak 3528 from cnoeabs.peaks (1.53, 1.53, 26.76 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: HG2 ARG 79 + HG2 ARG 79 OK 100 100 - 100 HG3 ARG 79 + HG3 ARG 79 OK 100 100 - 100 HG3 ARG 30 + HG3 ARG 30 OK 63 63 - 100 HG LEU 6 - HG LEU 6 OK 42 42 - 100 Reference assignment not found: HG3 ARG 79 - HG2 ARG 79 Peak 3529 from cnoeabs.peaks (3.07, 1.53, 26.76 ppm; 3.19 A): 7 out of 28 assignments used, quality = 1.00: * HD2 ARG 79 + HG2 ARG 79 OK 100 100 - 100 - 3.0=100 HD2 ARG 79 + HG3 ARG 79 OK 100 100 - 100 - 3.0=100 HD3 ARG 79 + HG2 ARG 79 OK 100 100 - 100 - 3.0=100 HD3 ARG 79 + HG3 ARG 79 OK 100 100 - 100 - 3.0=100 HD3 ARG 30 + HG3 ARG 30 OK 51 51 - 100 - 3.0=100 HD3 ARG 30 + HG2 ARG 79 OK 47 87 - 54 - 3.0/1343=5, 1.8/1361=5...(26) HD3 ARG 30 + HG3 ARG 79 OK 47 86 - 54 - 3.0/1343=5, 1.8/1361=5...(26) HD2 ARG 79 - HG3 ARG 30 OK 32 66 - 49 - 3554=4, ~1345=4...(26) HD3 ARG 79 - HG3 ARG 30 OK 32 66 - 49 - 3555=4, 1363/3.0=4...(26) HD3 ARG 30 - HG LEU 6 OK 12 38 - 32 - ~8722=4, 8723/2.1=4...(14) HD2 ARG 79 - HG LEU 6 poor 8 50 - 16 - 3.8/3518=2, 3544/3.0=1...(4) HD3 ARG 79 - HG LEU 6 poor 8 50 - 16 - 3.8/3518=2, 3553/3.0=1...(4) HB3 ASN 26 - HG2 ARG 79 lone 4 99 - 4 - HB3 ASN 26 - HG3 ARG 79 lone 4 99 - 4 - HB3 ASN 60 - HG2 ARG 79 lone 3 84 - 3 - HB3 ASN 60 - HG3 ARG 79 lone 3 83 - 3 - HB3 HIS 105 - HG2 ARG 79 lone 1 97 - 1 - HB3 HIS 105 - HG3 ARG 79 lone 1 97 - 1 - HB3 ASN 26 - HG3 ARG 30 lone 1 63 - 1 - HB3 HIS 106 - HG2 ARG 79 lone 0 65 - 1 - HB3 HIS 106 - HG3 ARG 79 lone 0 65 - 1 - HB3 HIS 105 - HG3 ARG 30 lone 0 61 - 1 - HB3 ASN 26 - HG LEU 6 lone 0 48 - 1 - HB3 ASN 60 - HG3 ARG 30 lone 0 49 - 1 - HB3 HIS 105 - HG LEU 6 lone 0 46 - 0 - HB3 ASN 60 - HG LEU 6 lone 0 36 - 0 - HB3 HIS 106 - HG3 ARG 30 lone 0 36 - 0 - HB3 HIS 106 - HG LEU 6 lone 0 27 - 0 - Peak 3530 from cnoeabs.peaks (3.07, 1.53, 26.76 ppm; 3.19 A): 7 out of 24 assignments used, quality = 1.00: * HD3 ARG 79 + HG2 ARG 79 OK 100 100 - 100 - 3.0=100 HD2 ARG 79 + HG2 ARG 79 OK 100 100 - 100 - 3.0=100 HD3 ARG 79 + HG3 ARG 79 OK 100 100 - 100 - 3.0=100 HD2 ARG 79 + HG3 ARG 79 OK 100 100 - 100 - 3.0=100 HD3 ARG 30 + HG3 ARG 30 OK 55 55 - 100 - 3.0=100 HD3 ARG 30 + HG2 ARG 79 OK 50 92 - 55 - 1370=5, 3.0/1343=5...(26) HD3 ARG 30 + HG3 ARG 79 OK 50 91 - 55 - 1370=5, 3.0/1343=5...(26) HD3 ARG 79 - HG3 ARG 30 OK 33 66 - 50 - 1363/3.0=4, 1345/1.8=4...(26) HD2 ARG 79 - HG3 ARG 30 OK 33 66 - 50 - 1363/3.0=4, 1345/1.8=4...(26) HD3 ARG 30 - HG LEU 6 OK 14 42 - 33 - 8723/2.1=4, ~8722=4...(14) HD3 ARG 79 - HG LEU 6 poor 8 50 - 17 - 3.8/3518=2, 3553/3.0=1...(4) HD2 ARG 79 - HG LEU 6 poor 8 50 - 17 - 3.8/3518=2, 3544/3.0=1...(4) HB3 ASN 26 - HG2 ARG 79 lone 4 97 - 4 - HB3 ASN 26 - HG3 ARG 79 lone 4 97 - 4 - HB3 ASN 60 - HG2 ARG 79 lone 2 77 - 3 - HB3 ASN 60 - HG3 ARG 79 lone 2 77 - 3 - HB3 HIS 105 - HG2 ARG 79 lone 1 94 - 1 - HB3 HIS 105 - HG3 ARG 79 lone 1 94 - 1 - HB3 ASN 26 - HG3 ARG 30 lone 1 61 - 2 - HB3 HIS 105 - HG3 ARG 30 lone 0 57 - 1 - HB3 ASN 26 - HG LEU 6 lone 0 46 - 1 - HB3 ASN 60 - HG3 ARG 30 lone 0 44 - 1 - HB3 HIS 105 - HG LEU 6 lone 0 43 - 0 - HB3 ASN 60 - HG LEU 6 lone 0 32 - 0 - Peak 3531 from cnoeabs.peaks (8.42, 1.53, 26.76 ppm; 4.50 A): 2 out of 8 assignments used, quality = 0.96: * H THR 80 + HG2 ARG 79 OK 79 100 - 80 - 7298/4.1=29, 7299/3.0=19...(15) H THR 80 + HG3 ARG 79 OK 79 100 - 80 - 7298/4.1=29, 7299/3.0=19...(15) H THR 80 - HG3 ARG 30 OK 32 66 - 48 - 10919/2.9=17, 7299/2.9=8...(10) H GLU 62 - HG2 ARG 79 OK 26 90 - 29 - 3513/3.0=7, 3522/3.0=7...(6) H GLU 62 - HG3 ARG 79 OK 26 89 - 29 - 3513/3.0=7, 3522/3.0=7...(6) H THR 80 - HG LEU 6 poor 9 50 - 19 - 4.6/3518=3, 7300/3.0=2...(9) H GLU 62 - HG3 ARG 30 lone 2 53 - 4 - H GLU 62 - HG LEU 6 lone 2 40 - 4 - 10740/2.1=2 Peak 3532 from cnoeabs.peaks (8.50, 1.53, 26.76 ppm; 4.11 A): 5 out of 18 assignments used, quality = 1.00: * H ARG 79 + HG3 ARG 79 OK 94 100 - 94 - 4.7=69, 7290/3.0=14...(23) H ARG 79 + HG2 ARG 79 OK 94 100 - 94 - 4.7=69, 7290/3.0=14...(23) H THR 31 + HG3 ARG 30 OK 48 61 - 79 - 6492/3.9=34, 6494/2.9=18...(9) H THR 31 + HG2 ARG 79 OK 46 100 - 47 - 6498/3.0=7, 6498/3.0=6...(14) H THR 31 + HG3 ARG 79 OK 46 100 - 47 - 6498/3.0=7, 6498/3.0=6...(14) H ARG 79 - HG3 ARG 30 OK 36 62 - 58 - 1328/2.9=8, 7292=7...(17) H VAL 54 - HG3 ARG 79 OK 21 94 - 22 - 4.6/10659=3, 3514/3.0=3...(10) H VAL 54 - HG2 ARG 79 OK 21 94 - 22 - 4.6/10659=3, 3514/3.0=3...(10) H VAL 54 - HG3 ARG 30 OK 12 54 - 22 - 6489/4.9=3, 1328/2.9=3...(9) H LEU 2 - HG3 ARG 79 OK 11 92 - 12 - 3514/3.0=2, 3505/3.0=2 H LEU 2 - HG2 ARG 79 OK 11 91 - 12 - 3514/3.0=2, 3505/3.0=2 H VAL 32 - HG3 ARG 30 poor 9 31 - 28 - 10513/2.9=5, 1319/3.9=4...(8) H LEU 2 - HG3 ARG 30 poor 7 52 - 14 - 1328/2.9=2, 1337/2.9=2...(6) H VAL 32 - HG3 ARG 79 lone 6 61 - 10 - 4.6/6496=3 H VAL 32 - HG2 ARG 79 poor 6 61 - 10 - 4.6/6496=3 H ALA 67 - HG3 ARG 79 lone 3 61 - 5 - H ALA 67 - HG2 ARG 79 lone 3 61 - 5 - H ALA 67 - HG3 ARG 30 lone 3 31 - 9 - 1328/2.9=1, 1337/2.9=1 Peak 3533 from cnoeabs.peaks (4.71, 1.53, 26.76 ppm; 3.66 A): 2 out of 6 assignments used, quality = 0.99: * HA ARG 79 + HG3 ARG 79 OK 93 100 - 93 - 4.1=73, 3551/3.0=11...(26) HA ARG 79 + HG2 ARG 79 OK 92 100 - 93 - 4.1=73, 3551/3.0=11...(26) HA ARG 79 - HG3 ARG 30 OK 34 62 - 55 - 3501=7, 3.0/3510=5...(26) HA LYS 82 - HG3 ARG 79 OK 21 90 - 23 - 3515/3.0=6, 3506/3.0=6...(5) HA LYS 82 - HG2 ARG 79 OK 20 89 - 23 - 3515/3.0=6, 3506/3.0=6...(5) HA LYS 82 - HG3 ARG 30 lone 3 50 - 5 - 3647/4.9=2 Peak 3534 from cnoeabs.peaks (1.60, 1.53, 26.76 ppm; 2.62 A): 3 out of 39 assignments used, quality = 0.98: * HB2 ARG 79 + HG3 ARG 79 OK 80 100 - 80 - 3.0=68, 1.8/3535=7...(17) HB2 ARG 79 + HG2 ARG 79 OK 80 100 - 80 - 3.0=68, 1.8/3535=7...(17) HB2 ARG 30 + HG3 ARG 30 OK 46 61 - 76 - 2.9=71, ~1366=4, ~1357=4...(7) HB2 ARG 30 - HG3 ARG 79 OK 43 100 - 43 - 3516/3.0=4, 2.9/1343=3...(23) HB2 ARG 30 - HG2 ARG 79 OK 43 100 - 43 - 3516/3.0=4, 1.8/1334=3...(23) HB2 ARG 79 - HG3 ARG 30 OK 23 62 - 36 - 3510=5, 1.8/3519=3...(16) HD3 LYS 94 - HG3 ARG 30 OK 13 62 - 21 - 4246/2.9=4, 1340/1.8=2...(8) HG LEU 27 - HG3 ARG 79 OK 12 100 - 12 - 3516/3.0=2, ~10139=1 HG LEU 27 - HG2 ARG 79 OK 11 100 - 11 - 3516/3.0=2, ~10139=1 HB3 LEU 29 - HG3 ARG 30 poor 8 60 - 14 - 4.3/6486=2, 1331/2.9=2...(6) HB2 LEU 103 - HG2 ARG 79 poor 8 77 - 10 - HB2 LEU 103 - HG3 ARG 79 poor 8 77 - 10 - HG LEU 27 - HG3 ARG 30 poor 6 62 - 10 - ~10138=1, ~10139=1...(5) HG3 LYS 90 - HG3 ARG 30 poor 6 38 - 16 - 3961/1.8=2, ~3928=2...(8) HG LEU 103 - HG2 ARG 79 lone 6 65 - 9 - HG LEU 103 - HG3 ARG 79 lone 6 65 - 9 - HB3 LEU 29 - HG2 ARG 79 lone 5 99 - 5 - 4.3/6486=1 HB3 LEU 29 - HG3 ARG 79 lone 5 99 - 5 - 4.3/6486=1 HG3 LYS 73 - HG3 ARG 79 lone 3 100 - 3 - HG3 LYS 73 - HG2 ARG 79 lone 3 100 - 3 - HB2 LEU 103 - HG3 ARG 30 lone 3 41 - 7 - HD3 LYS 94 - HG2 ARG 79 lone 2 100 - 2 - HD3 LYS 94 - HG3 ARG 79 lone 2 100 - 2 - HD2 LYS 66 - HG3 ARG 30 lone 2 62 - 3 - HG LEU 103 - HG3 ARG 30 lone 2 34 - 5 - HD2 LYS 66 - HG2 ARG 79 lone 1 100 - 1 - HD2 LYS 66 - HG3 ARG 79 lone 1 100 - 1 - HG3 LYS 12 - HG3 ARG 30 lone 1 58 - 2 - HG3 LYS 12 - HG3 ARG 79 lone 1 98 - 1 - HG3 LYS 12 - HG2 ARG 79 lone 1 98 - 1 - HG2 ARG 19 - HG3 ARG 30 lone 1 41 - 2 - HG3 LYS 90 - HG3 ARG 79 lone 1 73 - 1 - HG3 LYS 90 - HG2 ARG 79 lone 1 73 - 1 - HG2 ARG 19 - HG3 ARG 79 lone 1 77 - 1 - HG2 ARG 19 - HG2 ARG 79 lone 1 77 - 1 - HG3 LYS 73 - HG3 ARG 30 lone 1 62 - 1 - HG2 LYS 24 - HG3 ARG 79 lone 0 81 - 1 - HG2 LYS 24 - HG2 ARG 79 lone 0 80 - 1 - HG2 LYS 24 - HG3 ARG 30 lone 0 43 - 1 - Peak 3535 from cnoeabs.peaks (1.65, 1.53, 26.76 ppm; 2.89 A): 2 out of 36 assignments used, quality = 1.00: * HB3 ARG 79 + HG3 ARG 79 OK 95 100 - 95 - 3.0=92, 1.8/3534=7...(18) HB3 ARG 79 + HG2 ARG 79 OK 95 100 - 95 - 3.0=92, 1.8/3534=7...(18) HB3 LEU 6 - HG3 ARG 79 OK 28 98 - 29 - 3508/3.0=3, 205/1.8=2...(13) HB3 ARG 79 - HG3 ARG 30 OK 27 62 - 44 - 3519=5, 1.8/3510=5...(25) HB3 LEU 6 - HG2 ARG 79 OK 25 98 - 26 - 3508/3.0=3, 205/1.8=2...(11) HB3 LEU 6 - HG3 ARG 30 OK 21 58 - 37 - ~8699=5, ~8696=5...(16) HD3 LYS 73 - HG3 ARG 79 lone 4 90 - 5 - HD3 LYS 73 - HG2 ARG 79 lone 4 89 - 5 - HD2 LYS 68 - HG2 ARG 79 lone 4 100 - 4 - HD2 LYS 68 - HG3 ARG 79 lone 4 100 - 4 - HD3 LYS 68 - HG2 ARG 79 lone 4 100 - 4 - HD3 LYS 68 - HG3 ARG 79 lone 4 100 - 4 - HD2 LYS 73 - HG3 ARG 79 lone 4 84 - 5 - HD2 LYS 73 - HG2 ARG 79 lone 4 83 - 5 - HB ILE 76 - HG2 ARG 79 lone 4 91 - 4 - 7290/4.7=1 HB ILE 76 - HG3 ARG 79 lone 4 92 - 4 - 7290/4.7=1 HG2 LYS 68 - HG3 ARG 79 lone 3 87 - 4 - HG2 LYS 68 - HG2 ARG 79 lone 3 86 - 4 - HB ILE 76 - HG3 ARG 30 lone 3 52 - 5 - ~10883=1, 10884/1.8=1 HD2 LYS 39 - HG2 ARG 79 lone 2 100 - 2 - HD2 LYS 39 - HG3 ARG 79 lone 2 100 - 2 - HB ILE 52 - HG3 ARG 79 lone 2 73 - 3 - HB2 LYS 40 - HG3 ARG 30 lone 2 55 - 3 - HB ILE 52 - HG2 ARG 79 lone 2 73 - 3 - HB2 LYS 40 - HG3 ARG 79 lone 2 96 - 2 - HB2 LYS 40 - HG2 ARG 79 lone 2 95 - 2 - HD3 LYS 39 - HG3 ARG 79 lone 2 84 - 2 - HD3 LYS 39 - HG2 ARG 79 lone 2 83 - 2 - HB ILE 52 - HG3 ARG 30 lone 1 38 - 4 - HD2 LYS 68 - HG3 ARG 30 lone 1 62 - 1 - HD3 LYS 68 - HG3 ARG 30 lone 1 61 - 1 - HG2 LYS 68 - HG3 ARG 30 lone 1 48 - 1 - HD3 LYS 73 - HG3 ARG 30 lone 1 50 - 1 - HD2 LYS 73 - HG3 ARG 30 lone 0 45 - 1 - HD2 LYS 39 - HG3 ARG 30 lone 0 62 - 1 - HD3 LYS 39 - HG3 ARG 30 lone 0 45 - 1 - Peak 3536 from cnoeabs.peaks (1.53, 1.53, 26.76 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 ARG 79 + HG3 ARG 79 OK 100 100 - 100 HG2 ARG 79 + HG2 ARG 79 OK 100 100 - 100 HG3 ARG 30 + HG3 ARG 30 OK 60 60 - 100 Reference assignment not found: HG2 ARG 79 - HG3 ARG 79 Peak 3537 from cnoeabs.peaks (1.53, 1.53, 26.76 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 79 + HG3 ARG 79 OK 100 100 - 100 HG2 ARG 79 + HG2 ARG 79 OK 100 100 - 100 HG3 ARG 30 + HG3 ARG 30 OK 59 59 - 100 Peak 3538 from cnoeabs.peaks (3.07, 1.53, 26.76 ppm; 3.19 A): 7 out of 21 assignments used, quality = 1.00: * HD2 ARG 79 + HG3 ARG 79 OK 100 100 - 100 - 3.0=100 HD2 ARG 79 + HG2 ARG 79 OK 100 100 - 100 - 3.0=100 HD3 ARG 79 + HG3 ARG 79 OK 100 100 - 100 - 3.0=100 HD3 ARG 79 + HG2 ARG 79 OK 100 100 - 100 - 3.0=100 HD3 ARG 30 + HG3 ARG 30 OK 48 48 - 100 - 3.0=100 HD3 ARG 30 + HG3 ARG 79 OK 47 87 - 54 - 3.0/1343=5, 1.8/1361=5...(26) HD3 ARG 30 + HG2 ARG 79 OK 47 86 - 54 - 3.0/1343=5, 1.8/1361=5...(26) HD2 ARG 79 - HG3 ARG 30 OK 30 62 - 49 - 3554=4, ~1345=4...(26) HD3 ARG 79 - HG3 ARG 30 OK 30 62 - 49 - 3555=4, 1363/3.0=4...(26) HB3 ASN 26 - HG3 ARG 79 lone 4 99 - 4 - HB3 ASN 26 - HG2 ARG 79 lone 4 99 - 4 - HB3 ASN 60 - HG3 ARG 79 lone 3 84 - 3 - HB3 ASN 60 - HG2 ARG 79 lone 3 83 - 3 - HB3 HIS 105 - HG3 ARG 79 lone 1 97 - 1 - HB3 HIS 105 - HG2 ARG 79 lone 1 97 - 1 - HB3 ASN 26 - HG3 ARG 30 lone 1 59 - 1 - HB3 HIS 106 - HG3 ARG 79 lone 0 65 - 1 - HB3 HIS 106 - HG2 ARG 79 lone 0 65 - 1 - HB3 HIS 105 - HG3 ARG 30 lone 0 57 - 1 - HB3 ASN 60 - HG3 ARG 30 lone 0 45 - 1 - HB3 HIS 106 - HG3 ARG 30 lone 0 34 - 0 - Peak 3539 from cnoeabs.peaks (3.07, 1.53, 26.76 ppm; 3.19 A): 7 out of 18 assignments used, quality = 1.00: * HD3 ARG 79 + HG3 ARG 79 OK 100 100 - 100 - 3.0=100 HD3 ARG 79 + HG2 ARG 79 OK 100 100 - 100 - 3.0=100 HD2 ARG 79 + HG3 ARG 79 OK 100 100 - 100 - 3.0=100 HD2 ARG 79 + HG2 ARG 79 OK 100 100 - 100 - 3.0=100 HD3 ARG 30 + HG3 ARG 30 OK 52 52 - 100 - 3.0=100 HD3 ARG 30 + HG3 ARG 79 OK 50 92 - 55 - 1370=5, 3.0/1343=5...(26) HD3 ARG 30 + HG2 ARG 79 OK 50 91 - 55 - 1370=5, 3.0/1343=5...(26) HD3 ARG 79 - HG3 ARG 30 OK 31 62 - 50 - 1363/3.0=4, 1345/1.8=4...(26) HD2 ARG 79 - HG3 ARG 30 OK 31 62 - 50 - 1363/3.0=4, 1345/1.8=4...(26) HB3 ASN 26 - HG3 ARG 79 lone 4 97 - 4 - HB3 ASN 26 - HG2 ARG 79 lone 4 97 - 4 - HB3 ASN 60 - HG3 ARG 79 lone 2 77 - 3 - HB3 ASN 60 - HG2 ARG 79 lone 2 77 - 3 - HB3 HIS 105 - HG3 ARG 79 lone 1 94 - 1 - HB3 HIS 105 - HG2 ARG 79 lone 1 94 - 1 - HB3 ASN 26 - HG3 ARG 30 lone 1 57 - 2 - HB3 HIS 105 - HG3 ARG 30 lone 0 54 - 1 - HB3 ASN 60 - HG3 ARG 30 lone 0 41 - 1 - Peak 3540 from cnoeabs.peaks (8.42, 1.53, 26.76 ppm; 4.50 A): 2 out of 6 assignments used, quality = 0.96: * H THR 80 + HG3 ARG 79 OK 79 100 - 79 - 7298/4.1=29, 7299/3.0=19...(15) H THR 80 + HG2 ARG 79 OK 79 100 - 79 - 7298/4.1=29, 7299/3.0=19...(15) H THR 80 - HG3 ARG 30 OK 30 62 - 48 - 10919/2.9=17, 7299/2.9=8...(10) H GLU 62 - HG3 ARG 79 OK 26 90 - 29 - 3513/3.0=7, 3522/3.0=7...(6) H GLU 62 - HG2 ARG 79 OK 26 89 - 29 - 3513/3.0=7, 3522/3.0=7...(6) H GLU 62 - HG3 ARG 30 lone 2 50 - 4 - Peak 3541 from cnoeabs.peaks (8.50, 3.07, 43.09 ppm; 4.17 A): 2 out of 12 assignments used, quality = 0.98: * H ARG 79 + HD2 ARG 79 OK 87 100 - 87 - 5.8=36, 7293/1.8=15...(23) H ARG 79 + HD3 ARG 79 OK 87 99 - 87 - 5.8=36, 7293/1.8=15...(23) H THR 31 - HD3 ARG 79 OK 43 99 - 44 - 6498/1.8=8, 6498=8...(12) H THR 31 - HD2 ARG 79 OK 43 100 - 43 - 6498/1.8=9, 6498=7...(10) H VAL 54 - HD2 ARG 79 OK 15 94 - 16 - 11101/12197=5...(6) H VAL 54 - HD3 ARG 79 OK 15 92 - 16 - 11101/12197=5...(6) H LEU 2 - HD2 ARG 79 lone 9 92 - 9 - 3514/3.8=2, 3505/3.8=2 H LEU 2 - HD3 ARG 79 lone 9 90 - 9 - 3514/3.8=2, 3505/3.8=2 H VAL 32 - HD3 ARG 79 lone 5 60 - 8 - 4.6/6498=4 H VAL 32 - HD2 ARG 79 lone 5 61 - 8 - 4.6/6498=3 H ALA 67 - HD2 ARG 79 lone 3 61 - 4 - H ALA 67 - HD3 ARG 79 lone 3 60 - 4 - Peak 3542 from cnoeabs.peaks (4.71, 3.07, 43.09 ppm; 3.76 A): 2 out of 4 assignments used, quality = 0.95: * HA ARG 79 + HD2 ARG 79 OK 79 100 - 79 - 5.3=35, 3502/1.8=11...(24) HA ARG 79 + HD3 ARG 79 OK 79 99 - 79 - 5.3=35, 3502/1.8=11...(24) HA LYS 82 - HD2 ARG 79 OK 18 90 - 20 - 3515/3.8=6, 3506/3.8=6...(6) HA LYS 82 - HD3 ARG 79 OK 18 88 - 20 - 3515/3.8=6, 3506/3.8=6...(6) Peak 3543 from cnoeabs.peaks (1.60, 3.07, 43.09 ppm; 3.61 A): 4 out of 26 assignments used, quality = 1.00: * HB2 ARG 79 + HD2 ARG 79 OK 96 100 - 96 - 3.8=89, 3.0/3542=11...(18) HB2 ARG 79 + HD3 ARG 79 OK 95 99 - 96 - 3.8=89, 3.0/3551=11...(18) HB2 ARG 30 + HD2 ARG 79 OK 62 100 - 62 - 1327/1.8=7, 3516/3.8=6...(28) HB2 ARG 30 + HD3 ARG 79 OK 61 99 - 62 - 1327/1.8=6, 3516/3.8=6...(28) HG LEU 27 - HD2 ARG 79 OK 24 100 - 24 - 4.3/12330=5, 2.1/10139=5...(8) HG LEU 27 - HD3 ARG 79 OK 24 99 - 24 - 4.3/12330=5, 2.1/10139=5...(8) HB2 LEU 103 - HD2 ARG 79 lone 6 77 - 8 - 4477/3.0=1 HB2 LEU 103 - HD3 ARG 79 lone 6 75 - 8 - 4477/3.0=1 HB3 LEU 29 - HD2 ARG 79 lone 6 99 - 6 - HB3 LEU 29 - HD3 ARG 79 lone 6 98 - 6 - HG3 LYS 73 - HD2 ARG 79 lone 5 100 - 5 - HG3 LYS 73 - HD3 ARG 79 lone 5 99 - 5 - HG LEU 103 - HD2 ARG 79 lone 5 65 - 7 - HG LEU 103 - HD3 ARG 79 lone 4 64 - 7 - HD3 LYS 94 - HD3 ARG 79 lone 4 99 - 4 - HD3 LYS 94 - HD2 ARG 79 lone 4 100 - 4 - HD2 LYS 66 - HD3 ARG 79 lone 2 99 - 2 - HD2 LYS 66 - HD2 ARG 79 lone 2 100 - 2 - HG3 LYS 12 - HD2 ARG 79 lone 2 98 - 2 - HG3 LYS 12 - HD3 ARG 79 lone 2 97 - 2 - HG3 LYS 90 - HD2 ARG 79 lone 1 73 - 2 - HG3 LYS 90 - HD3 ARG 79 lone 1 71 - 2 - HG2 ARG 19 - HD2 ARG 79 lone 1 77 - 2 - HG2 ARG 19 - HD3 ARG 79 lone 1 75 - 2 - HG2 LYS 24 - HD2 ARG 79 lone 1 81 - 1 - HG2 LYS 24 - HD3 ARG 79 lone 1 79 - 1 - Peak 3544 from cnoeabs.peaks (1.65, 3.07, 43.09 ppm; 3.78 A): 2 out of 24 assignments used, quality = 1.00: * HB3 ARG 79 + HD2 ARG 79 OK 100 100 - 100 - 3.8=100 HB3 ARG 79 + HD3 ARG 79 OK 99 99 - 100 - 3.8=100 HB3 LEU 6 - HD2 ARG 79 OK 23 98 - 23 - 3508/3.8=4, 3535/3.0=3...(8) HB3 LEU 6 - HD3 ARG 79 OK 22 97 - 23 - 3508/3.8=4, 3535/3.0=3...(8) HD2 LYS 68 - HD2 ARG 79 lone 5 100 - 5 - HD3 LYS 68 - HD2 ARG 79 lone 5 100 - 5 - HD2 LYS 68 - HD3 ARG 79 lone 5 99 - 5 - HD3 LYS 68 - HD3 ARG 79 lone 5 99 - 5 - HD3 LYS 73 - HD2 ARG 79 lone 5 90 - 5 - 3508/3.8=1 HD3 LYS 73 - HD3 ARG 79 lone 5 88 - 5 - 3508/3.8=1 HD2 LYS 73 - HD2 ARG 79 lone 4 84 - 5 - 3508/3.8=1 HB ILE 76 - HD2 ARG 79 lone 4 92 - 5 - 7290/5.8=1 HG2 LYS 68 - HD2 ARG 79 lone 4 87 - 5 - HD2 LYS 73 - HD3 ARG 79 lone 4 82 - 5 - 3508/3.8=1 HB ILE 76 - HD3 ARG 79 lone 4 90 - 5 - 7290/5.8=1 HG2 LYS 68 - HD3 ARG 79 lone 4 85 - 5 - HD2 LYS 39 - HD2 ARG 79 lone 3 100 - 3 - HD2 LYS 39 - HD3 ARG 79 lone 3 99 - 3 - HD3 LYS 39 - HD2 ARG 79 lone 2 84 - 3 - HD3 LYS 39 - HD3 ARG 79 lone 2 82 - 3 - HB ILE 52 - HD2 ARG 79 lone 2 73 - 3 - HB2 LYS 40 - HD2 ARG 79 lone 2 96 - 2 - HB ILE 52 - HD3 ARG 79 lone 2 71 - 3 - HB2 LYS 40 - HD3 ARG 79 lone 2 94 - 2 - Peak 3545 from cnoeabs.peaks (1.53, 3.07, 43.09 ppm; 3.10 A): 6 out of 24 assignments used, quality = 1.00: * HG2 ARG 79 + HD2 ARG 79 OK 100 100 - 100 - 3.0=100 HG3 ARG 79 + HD2 ARG 79 OK 100 100 - 100 - 3.0=100 HG2 ARG 79 + HD3 ARG 79 OK 99 99 - 100 - 3.0=100 HG3 ARG 79 + HD3 ARG 79 OK 99 99 - 100 - 3.0=100 HG3 ARG 30 + HD2 ARG 79 OK 46 99 - 47 - ~1345=4, 3.0/1363=4...(25) HG3 ARG 30 + HD3 ARG 79 OK 46 98 - 47 - 3.0/1363=4, 1.8/1345=4...(25) HG LEU 6 - HD2 ARG 79 OK 14 94 - 15 - 3518/3.8=2, 3.0/3544=1 HG LEU 6 - HD3 ARG 79 OK 13 92 - 15 - 3518/3.8=2, 3.0/3544=1 HG12 ILE 56 - HD2 ARG 79 lone 9 100 - 9 - 3510/3.8=1, 3519/3.8=1 HG12 ILE 56 - HD3 ARG 79 lone 9 99 - 9 - 3510/3.8=1, 3519/3.8=1 HB3 LEU 103 - HD2 ARG 79 lone 5 90 - 6 - HB3 LEU 103 - HD3 ARG 79 lone 5 88 - 6 - HB2 LEU 14 - HD2 ARG 79 lone 3 87 - 3 - HB2 LEU 14 - HD3 ARG 79 lone 3 85 - 3 - HB ILE 7 - HD2 ARG 79 lone 2 87 - 3 - HB ILE 7 - HD3 ARG 79 lone 2 85 - 3 - HB2 LEU 3 - HD2 ARG 79 lone 2 61 - 4 - HB2 LEU 3 - HD3 ARG 79 lone 2 60 - 4 - HD3 LYS 53 - HD2 ARG 79 lone 2 65 - 3 - HD3 LYS 53 - HD3 ARG 79 lone 2 64 - 3 - HG LEU 2 - HD2 ARG 79 lone 2 61 - 3 - HG LEU 2 - HD3 ARG 79 lone 2 60 - 3 - HG2 LYS 33 - HD2 ARG 79 lone 1 81 - 1 - HG2 LYS 33 - HD3 ARG 79 lone 1 79 - 1 - Peak 3546 from cnoeabs.peaks (1.53, 3.07, 43.09 ppm; 3.10 A): 6 out of 22 assignments used, quality = 1.00: * HG3 ARG 79 + HD2 ARG 79 OK 100 100 - 100 - 3.0=100 HG2 ARG 79 + HD2 ARG 79 OK 100 100 - 100 - 3.0=100 HG3 ARG 79 + HD3 ARG 79 OK 99 99 - 100 - 3.0=100 HG2 ARG 79 + HD3 ARG 79 OK 99 99 - 100 - 3.0=100 HG3 ARG 30 + HD2 ARG 79 OK 46 99 - 47 - ~1345=4, 3.0/1363=4...(25) HG3 ARG 30 + HD3 ARG 79 OK 46 98 - 47 - 3.0/1363=4, 1.8/1345=4...(25) HG LEU 6 - HD2 ARG 79 OK 13 92 - 15 - 3518/3.8=2, 3.0/3544=1 HG LEU 6 - HD3 ARG 79 OK 13 90 - 15 - 3518/3.8=2, 3.0/3544=1 HG12 ILE 56 - HD2 ARG 79 lone 9 99 - 9 - 3510/3.8=1, 3519/3.8=1 HG12 ILE 56 - HD3 ARG 79 lone 9 98 - 9 - 3510/3.8=1, 3519/3.8=1 HB3 LEU 103 - HD2 ARG 79 lone 5 87 - 6 - HB3 LEU 103 - HD3 ARG 79 lone 5 85 - 6 - HB2 LEU 14 - HD2 ARG 79 lone 3 84 - 3 - HB2 LEU 3 - HD2 ARG 79 lone 3 65 - 4 - HB2 LEU 14 - HD3 ARG 79 lone 3 82 - 3 - HB2 LEU 3 - HD3 ARG 79 lone 3 64 - 4 - HB ILE 7 - HD2 ARG 79 lone 2 84 - 3 - HB ILE 7 - HD3 ARG 79 lone 2 82 - 3 - HD3 LYS 53 - HD2 ARG 79 lone 2 70 - 3 - HD3 LYS 53 - HD3 ARG 79 lone 2 68 - 3 - HG2 LYS 33 - HD2 ARG 79 lone 1 84 - 1 - HG2 LYS 33 - HD3 ARG 79 lone 1 82 - 1 - Peak 3547 from cnoeabs.peaks (3.07, 3.07, 43.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 79 + HD2 ARG 79 OK 100 100 - 100 HD3 ARG 79 + HD3 ARG 79 OK 99 99 - 100 Peak 3548 from cnoeabs.peaks (3.07, 3.07, 43.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 ARG 79 + HD2 ARG 79 OK 100 100 - 100 HD3 ARG 79 + HD3 ARG 79 OK 99 99 - 100 Reference assignment not found: HD3 ARG 79 - HD2 ARG 79 Peak 3549 from cnoeabs.peaks (8.42, 3.07, 43.09 ppm; 5.78 A): 2 out of 4 assignments used, quality = 0.98: * H THR 80 + HD2 ARG 79 OK 88 100 - 88 - 7298/5.3=32, 7299/3.8=23...(12) H THR 80 + HD3 ARG 79 OK 87 99 - 88 - 7298/5.3=32, 7299/3.8=23...(12) H GLU 62 - HD2 ARG 79 OK 40 90 - 44 - 3522/3.8=9, 3513/3.8=9...(10) H GLU 62 - HD3 ARG 79 OK 39 88 - 44 - 3522/3.8=9, 3513/3.8=9...(9) Peak 3550 from cnoeabs.peaks (8.50, 3.07, 43.09 ppm; 4.21 A): 3 out of 12 assignments used, quality = 0.99: * H ARG 79 + HD3 ARG 79 OK 88 100 - 88 - 5.8=37, 7293/1.8=15...(24) H ARG 79 + HD2 ARG 79 OK 87 99 - 88 - 5.8=37, 7293/1.8=15...(24) H THR 31 + HD3 ARG 79 OK 45 100 - 46 - 6498=9, 6498/1.8=8...(12) H THR 31 - HD2 ARG 79 OK 44 99 - 45 - 6498/1.8=9, 6498=8...(12) H VAL 54 - HD3 ARG 79 OK 15 94 - 16 - 11101/12197=4...(6) H VAL 54 - HD2 ARG 79 OK 15 92 - 16 - 11101/12197=4...(6) H LEU 2 - HD3 ARG 79 lone 9 92 - 10 - 3514/3.8=2, 3505/3.8=2 H LEU 2 - HD2 ARG 79 lone 9 90 - 10 - 3514/3.8=2, 3505/3.8=2 H VAL 32 - HD3 ARG 79 lone 6 61 - 9 - 4.6/6498=4 H VAL 32 - HD2 ARG 79 lone 5 60 - 9 - 4.6/6498=4 H ALA 67 - HD3 ARG 79 lone 3 61 - 4 - H ALA 67 - HD2 ARG 79 lone 3 60 - 4 - Peak 3551 from cnoeabs.peaks (4.71, 3.07, 43.09 ppm; 3.73 A): 2 out of 4 assignments used, quality = 0.95: * HA ARG 79 + HD3 ARG 79 OK 79 100 - 79 - 5.3=34, 3502/1.8=10...(24) HA ARG 79 + HD2 ARG 79 OK 78 99 - 79 - 5.3=34, 3502/1.8=10...(24) HA LYS 82 - HD3 ARG 79 OK 18 90 - 20 - 3515/3.8=6, 3506/3.8=6...(5) HA LYS 82 - HD2 ARG 79 OK 18 88 - 20 - 3515/3.8=6, 3506/3.8=6...(6) Peak 3552 from cnoeabs.peaks (1.60, 3.07, 43.09 ppm; 3.60 A): 4 out of 26 assignments used, quality = 1.00: * HB2 ARG 79 + HD3 ARG 79 OK 95 100 - 95 - 3.8=87, 3.0/3551=11...(18) HB2 ARG 79 + HD2 ARG 79 OK 94 99 - 95 - 3.8=87, 3.0/3551=11...(18) HB2 ARG 30 + HD3 ARG 79 OK 63 100 - 63 - 1327/1.8=6, 3.0/1318=6...(28) HB2 ARG 30 + HD2 ARG 79 OK 62 99 - 63 - 1327/1.8=6, 3516/3.8=5...(28) HG LEU 27 - HD3 ARG 79 OK 24 100 - 24 - 4.3/12330=5, 2.1/10139=5...(8) HG LEU 27 - HD2 ARG 79 OK 23 99 - 24 - 4.3/12330=5, 2.1/10139=5...(8) HB2 LEU 103 - HD3 ARG 79 lone 6 77 - 8 - HB2 LEU 103 - HD2 ARG 79 lone 6 75 - 8 - HB3 LEU 29 - HD3 ARG 79 lone 6 99 - 6 - HB3 LEU 29 - HD2 ARG 79 lone 6 98 - 6 - HG3 LYS 73 - HD3 ARG 79 lone 5 100 - 5 - HG3 LYS 73 - HD2 ARG 79 lone 5 99 - 5 - HG LEU 103 - HD3 ARG 79 lone 4 65 - 7 - HG LEU 103 - HD2 ARG 79 lone 4 64 - 7 - HD3 LYS 94 - HD3 ARG 79 lone 4 100 - 4 - HD3 LYS 94 - HD2 ARG 79 lone 4 99 - 4 - HD2 LYS 66 - HD3 ARG 79 lone 2 100 - 2 - HD2 LYS 66 - HD2 ARG 79 lone 2 99 - 2 - HG3 LYS 12 - HD3 ARG 79 lone 2 98 - 2 - HG3 LYS 12 - HD2 ARG 79 lone 2 97 - 2 - HG3 LYS 90 - HD3 ARG 79 lone 1 73 - 2 - HG3 LYS 90 - HD2 ARG 79 lone 1 71 - 2 - HG2 ARG 19 - HD3 ARG 79 lone 1 77 - 2 - HG2 ARG 19 - HD2 ARG 79 lone 1 75 - 2 - HG2 LYS 24 - HD3 ARG 79 lone 1 81 - 1 - HG2 LYS 24 - HD2 ARG 79 lone 1 79 - 1 - Peak 3553 from cnoeabs.peaks (1.65, 3.07, 43.09 ppm; 3.79 A): 2 out of 24 assignments used, quality = 1.00: * HB3 ARG 79 + HD3 ARG 79 OK 100 100 - 100 - 3.8=100 HB3 ARG 79 + HD2 ARG 79 OK 99 99 - 100 - 3.8=100 HB3 LEU 6 - HD3 ARG 79 OK 23 98 - 24 - 3508/3.8=4, 3535/3.0=3...(8) HB3 LEU 6 - HD2 ARG 79 OK 23 97 - 24 - 3508/3.8=4, 3535/3.0=3...(8) HD2 LYS 68 - HD3 ARG 79 lone 5 100 - 6 - HD3 LYS 68 - HD3 ARG 79 lone 5 100 - 5 - HD2 LYS 68 - HD2 ARG 79 lone 5 99 - 6 - HD3 LYS 68 - HD2 ARG 79 lone 5 99 - 6 - HD3 LYS 73 - HD3 ARG 79 lone 5 90 - 5 - 3508/3.8=1 HD3 LYS 73 - HD2 ARG 79 lone 5 88 - 5 - 3508/3.8=1 HD2 LYS 73 - HD3 ARG 79 lone 4 84 - 5 - 3508/3.8=1 HB ILE 76 - HD3 ARG 79 lone 4 92 - 5 - 7290/5.8=1 HG2 LYS 68 - HD3 ARG 79 lone 4 87 - 5 - HD2 LYS 73 - HD2 ARG 79 lone 4 82 - 5 - 3508/3.8=1 HB ILE 76 - HD2 ARG 79 lone 4 90 - 5 - 7290/5.8=1 HG2 LYS 68 - HD2 ARG 79 lone 4 85 - 5 - HD2 LYS 39 - HD3 ARG 79 lone 3 100 - 3 - HD2 LYS 39 - HD2 ARG 79 lone 3 99 - 3 - HD3 LYS 39 - HD3 ARG 79 lone 2 84 - 3 - HD3 LYS 39 - HD2 ARG 79 lone 2 82 - 3 - HB ILE 52 - HD3 ARG 79 lone 2 73 - 3 - HB2 LYS 40 - HD3 ARG 79 lone 2 96 - 2 - HB ILE 52 - HD2 ARG 79 lone 2 71 - 3 - HB2 LYS 40 - HD2 ARG 79 lone 2 94 - 2 - Peak 3554 from cnoeabs.peaks (1.53, 3.07, 43.09 ppm; 3.10 A): 6 out of 24 assignments used, quality = 1.00: * HG2 ARG 79 + HD3 ARG 79 OK 100 100 - 100 - 3.0=100 HG3 ARG 79 + HD3 ARG 79 OK 100 100 - 100 - 3.0=100 HG2 ARG 79 + HD2 ARG 79 OK 99 99 - 100 - 3.0=100 HG3 ARG 79 + HD2 ARG 79 OK 99 99 - 100 - 3.0=100 HG3 ARG 30 + HD3 ARG 79 OK 48 99 - 48 - 3.0/1363=4, 1.8/1345=4...(25) HG3 ARG 30 + HD2 ARG 79 OK 47 98 - 48 - 3.0/1363=4, 1.8/1345=4...(25) HG LEU 6 - HD3 ARG 79 OK 14 94 - 15 - 3518/3.8=2, 3.0/3553=1 HG LEU 6 - HD2 ARG 79 OK 13 92 - 15 - 3518/3.8=2, 3.0/3544=1 HG12 ILE 56 - HD3 ARG 79 lone 9 100 - 9 - 3510/3.8=1, 3519/3.8=1 HG12 ILE 56 - HD2 ARG 79 lone 9 99 - 9 - 3510/3.8=1, 3519/3.8=1 HB3 LEU 103 - HD3 ARG 79 lone 5 90 - 6 - HB3 LEU 103 - HD2 ARG 79 lone 5 88 - 6 - HB2 LEU 14 - HD3 ARG 79 lone 3 87 - 3 - HB2 LEU 14 - HD2 ARG 79 lone 3 85 - 3 - HB ILE 7 - HD3 ARG 79 lone 3 87 - 3 - HB ILE 7 - HD2 ARG 79 lone 2 85 - 3 - HB2 LEU 3 - HD3 ARG 79 lone 2 61 - 4 - HB2 LEU 3 - HD2 ARG 79 lone 2 60 - 4 - HD3 LYS 53 - HD3 ARG 79 lone 2 65 - 3 - HD3 LYS 53 - HD2 ARG 79 lone 2 64 - 3 - HG LEU 2 - HD3 ARG 79 lone 2 61 - 3 - HG LEU 2 - HD2 ARG 79 lone 2 60 - 3 - HG2 LYS 33 - HD3 ARG 79 lone 1 81 - 1 - HG2 LYS 33 - HD2 ARG 79 lone 1 79 - 1 - Peak 3555 from cnoeabs.peaks (1.53, 3.07, 43.09 ppm; 3.10 A): 6 out of 22 assignments used, quality = 1.00: * HG3 ARG 79 + HD3 ARG 79 OK 100 100 - 100 - 3.0=100 HG2 ARG 79 + HD3 ARG 79 OK 100 100 - 100 - 3.0=100 HG3 ARG 79 + HD2 ARG 79 OK 99 99 - 100 - 3.0=100 HG2 ARG 79 + HD2 ARG 79 OK 99 99 - 100 - 3.0=100 HG3 ARG 30 + HD3 ARG 79 OK 47 99 - 48 - 3.0/1363=4, 1.8/1345=4...(25) HG3 ARG 30 + HD2 ARG 79 OK 47 98 - 48 - 3.0/1363=4, 1.8/1345=4...(25) HG LEU 6 - HD3 ARG 79 OK 13 92 - 15 - 3518/3.8=2, 3.0/3553=1 HG LEU 6 - HD2 ARG 79 OK 13 90 - 15 - 3518/3.8=2, 3.0/3544=1 HG12 ILE 56 - HD3 ARG 79 lone 9 99 - 9 - 3510/3.8=1, 3519/3.8=1 HG12 ILE 56 - HD2 ARG 79 lone 9 98 - 9 - 3510/3.8=1, 3519/3.8=1 HB3 LEU 103 - HD3 ARG 79 lone 5 87 - 6 - HB3 LEU 103 - HD2 ARG 79 lone 5 85 - 6 - HB2 LEU 14 - HD3 ARG 79 lone 3 84 - 3 - HB2 LEU 3 - HD3 ARG 79 lone 3 65 - 4 - HB2 LEU 14 - HD2 ARG 79 lone 3 82 - 3 - HB2 LEU 3 - HD2 ARG 79 lone 3 64 - 4 - HB ILE 7 - HD3 ARG 79 lone 2 84 - 3 - HB ILE 7 - HD2 ARG 79 lone 2 82 - 3 - HD3 LYS 53 - HD3 ARG 79 lone 2 70 - 3 - HD3 LYS 53 - HD2 ARG 79 lone 2 68 - 3 - HG2 LYS 33 - HD3 ARG 79 lone 1 84 - 1 - HG2 LYS 33 - HD2 ARG 79 lone 1 82 - 1 - Peak 3556 from cnoeabs.peaks (3.07, 3.07, 43.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 79 + HD3 ARG 79 OK 100 100 - 100 HD2 ARG 79 + HD2 ARG 79 OK 99 99 - 100 Reference assignment not found: HD2 ARG 79 - HD3 ARG 79 Peak 3557 from cnoeabs.peaks (3.07, 3.07, 43.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 79 + HD3 ARG 79 OK 100 100 - 100 HD2 ARG 79 + HD2 ARG 79 OK 99 99 - 100 Peak 3558 from cnoeabs.peaks (8.42, 3.07, 43.09 ppm; 6.45 A): 2 out of 4 assignments used, quality = 0.99: * H THR 80 + HD3 ARG 79 OK 90 100 - 90 - 7298/5.3=36, 7299/3.8=25...(13) H THR 80 + HD2 ARG 79 OK 90 99 - 90 - 7298/5.3=36, 7299/3.8=25...(13) H GLU 62 - HD3 ARG 79 OK 43 90 - 48 - 3522/3.8=11, 3513/3.8=10...(9) H GLU 62 - HD2 ARG 79 OK 42 88 - 48 - 3522/3.8=11, 3513/3.8=10...(10) Peak 3559 from cnoeabs.peaks (8.42, 5.33, 59.69 ppm; 4.20 A): 1 out of 4 assignments used, quality = 1.00: * H THR 80 + HA THR 80 OK 100 100 - 100 - 2.9=100 H THR 80 - HA ILE 52 OK 29 56 - 52 - 7305=14, 4.0/3570=9...(13) H GLU 62 - HA THR 80 OK 20 90 - 22 - 3569/3.2=7, 3564/3.0=6...(5) H GLU 62 - HA ILE 52 lone 3 44 - 7 - 10740/4.1=3 Peak 3560 from cnoeabs.peaks (5.33, 5.33, 59.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA THR 80 + HA THR 80 OK 100 100 - 100 HA ILE 52 + HA ILE 52 OK 52 52 - 100 Peak 3561 from cnoeabs.peaks (3.68, 5.33, 59.69 ppm; 3.71 A): 1 out of 6 assignments used, quality = 1.00: * HB THR 80 + HA THR 80 OK 100 100 - 100 - 3.0=100 HA LEU 14 - HA THR 80 OK 32 100 - 32 - 3571/3.2=8, 7306/2.9=5...(10) HB THR 80 - HA ILE 52 OK 26 56 - 48 - 3565=14, 2.1/3570=11...(13) HA LYS 90 - HA THR 80 OK 17 92 - 19 - 3571/3.2=4, ~9941=4...(7) HA LEU 14 - HA ILE 52 lone 4 55 - 7 - 3571/3570=1 HA LYS 90 - HA ILE 52 lone 2 46 - 4 - Peak 3562 from cnoeabs.peaks (0.98, 5.33, 59.69 ppm; 3.42 A): 1 out of 6 assignments used, quality = 1.00: * QG2 THR 80 + HA THR 80 OK 100 100 - 100 - 3.2=100 HG LEU 55 - HA THR 80 OK 30 73 - 41 - 2.1/9258=11, 3.7/9713=9...(11) QG2 THR 80 - HA ILE 52 OK 26 56 - 46 - 3570=15, 2.1/3565=9...(11) QG2 VAL 83 - HA THR 80 OK 16 70 - 23 - 9787/3.6=6, 4.0/9701=5...(7) HG LEU 55 - HA ILE 52 poor 6 34 - 19 - 2.1/9258=4, 3.7/9713=3...(7) QG2 VAL 83 - HA ILE 52 lone 2 32 - 6 - Peak 3563 from cnoeabs.peaks (8.76, 5.33, 59.69 ppm; 3.10 A): 2 out of 2 assignments used, quality = 0.89: * H ARG 81 + HA THR 80 OK 86 100 - 86 - 3.6=65, 3573/3.2=19...(14) H ARG 81 + HA ILE 52 OK 20 56 - 35 - 7311=14, 4.2/3570=4...(10) Peak 3564 from cnoeabs.peaks (8.42, 3.68, 69.77 ppm; 3.74 A): 2 out of 2 assignments used, quality = 0.91: * H THR 80 + HB THR 80 OK 89 100 - 89 - 4.0=78, 7307/2.1=25...(8) H GLU 62 + HB THR 80 OK 20 90 - 22 - 3569/2.1=7, 7310/4.4=3...(6) Peak 3565 from cnoeabs.peaks (5.33, 3.68, 69.77 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 80 + HB THR 80 OK 100 100 - 100 - 3.0=100 HA ILE 52 - HB THR 80 OK 38 98 - 38 - 3570/2.1=10, 3561=6...(10) Peak 3566 from cnoeabs.peaks (3.68, 3.68, 69.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 80 + HB THR 80 OK 100 100 - 100 Peak 3567 from cnoeabs.peaks (0.98, 3.68, 69.77 ppm; 3.00 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 80 + HB THR 80 OK 100 100 - 100 - 2.1=100 HG LEU 55 - HB THR 80 OK 20 73 - 27 - ~9258=6, 2.1/9726=4...(11) QG2 VAL 83 - HB THR 80 OK 15 70 - 21 - 9787/4.4=4, 4.0/9702=3...(8) Peak 3568 from cnoeabs.peaks (8.76, 3.68, 69.77 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.94: * H ARG 81 + HB THR 80 OK 94 100 - 94 - 4.4=68, 3573/2.1=38...(19) Peak 3569 from cnoeabs.peaks (8.42, 0.98, 22.13 ppm; 3.97 A): 1 out of 2 assignments used, quality = 0.99: * H THR 80 + QG2 THR 80 OK 99 100 - 99 - 4.0=98, 7306/2.1=32...(12) H GLU 62 - QG2 THR 80 OK 27 90 - 30 - 3564/2.1=7, 10735/9706=5...(8) Peak 3570 from cnoeabs.peaks (5.33, 0.98, 22.13 ppm; 3.32 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 80 + QG2 THR 80 OK 100 100 - 100 - 3.2=100 HA ILE 52 - QG2 THR 80 OK 41 98 - 42 - 3565/2.1=8, 3562=7...(13) Peak 3571 from cnoeabs.peaks (3.68, 0.98, 22.13 ppm; 3.06 A): 1 out of 3 assignments used, quality = 1.00: * HB THR 80 + QG2 THR 80 OK 100 100 - 100 - 2.1=100 HA LEU 14 - QG2 THR 80 OK 41 100 - 41 - 4.0/10403=10...(10) HA LYS 90 - QG2 THR 80 OK 18 92 - 20 - 3.0/9941=4, 3.0/10259=3...(8) Peak 3572 from cnoeabs.peaks (0.98, 0.98, 22.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 80 + QG2 THR 80 OK 100 100 - 100 Peak 3573 from cnoeabs.peaks (8.76, 0.98, 22.13 ppm; 3.60 A): 1 out of 1 assignment used, quality = 0.92: * H ARG 81 + QG2 THR 80 OK 92 100 - 92 - 4.2=63, 3568/2.1=30...(19) Peak 3575 from cnoeabs.peaks (4.36, 4.36, 53.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 81 + HA ARG 81 OK 100 100 - 100 Peak 3576 from cnoeabs.peaks (0.93, 4.36, 53.27 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 81 + HA ARG 81 OK 100 100 - 100 - 3.0=100 QG2 VAL 5 - HA ARG 81 OK 36 81 - 45 - 3594/3.0=8, 7315/3.0=7...(15) Peak 3577 from cnoeabs.peaks (1.06, 4.36, 53.27 ppm; 3.88 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 81 + HA ARG 81 OK 100 100 - 100 - 3.0=100 HG2 LYS 82 + HA ARG 81 OK 71 99 - 72 - 5.1/3582=19, 3586/3.0=11...(19) HG12 ILE 52 - HA ARG 81 OK 24 73 - 32 - 3.8/9741=6, 3586/3.0=4...(12) Peak 3578 from cnoeabs.peaks (0.43, 4.36, 53.27 ppm; 4.20 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 81 + HA ARG 81 OK 100 100 - 100 - 3.9=100 QD1 LEU 55 + HA ARG 81 OK 69 96 - 72 - 9280/3.0=26, 9257=13...(13) Peak 3579 from cnoeabs.peaks (0.74, 4.36, 53.27 ppm; 3.51 A): 2 out of 10 assignments used, quality = 0.97: * HG3 ARG 81 + HA ARG 81 OK 92 100 - 92 - 3.9=71, 3610/3.0=17...(15) QD1 LEU 64 + HA ARG 81 OK 57 100 - 58 - 10248/3.0=13...(15) QG2 ILE 93 - HA ARG 81 OK 32 90 - 36 - 10322/3.0=10, ~10008=7...(13) HG13 ILE 93 - HA ARG 81 OK 31 99 - 31 - 10018/3.0=10, ~10017=5...(11) QG1 VAL 5 - HA ARG 81 OK 28 84 - 33 - 2.1/3576=9, ~3594=4...(13) QD2 LEU 27 - HA ARG 81 OK 19 92 - 21 - ~8634=3, 3.1/9743=3...(9) QG1 VAL 78 - HA ARG 81 OK 16 98 - 17 - 7328/3.6=3, 10906/9480=2...(5) QG1 VAL 58 - HA ARG 81 OK 15 61 - 24 - 2.1/9387=10, ~9367=5...(5) HG13 ILE 15 - HA ARG 81 OK 13 77 - 17 - 2.9/3580=4, ~9748=2...(9) QG2 VAL 78 - HA ARG 81 lone 6 65 - 9 - 7328/3.6=1 Peak 3580 from cnoeabs.peaks (1.73, 4.36, 53.27 ppm; 4.02 A): 3 out of 7 assignments used, quality = 0.94: * HD2 ARG 81 + HA ARG 81 OK 89 100 - 89 - 5.3=45, 1.8/3581=24...(15) HB ILE 15 + HA ARG 81 OK 31 99 - 31 - 7329/3.6=5, 3607/3.9=4...(10) HD3 LYS 33 + HA ARG 81 OK 26 100 - 26 - 7319/3.0=3, 3589/3.0=3...(12) HD2 LYS 33 - HA ARG 81 OK 26 100 - 26 - 7319/3.0=3, 3589/3.0=3...(12) HB3 LEU 70 - HA ARG 81 OK 16 92 - 17 - 7319/3.0=2, 3607/3.9=2...(9) HD2 LYS 90 - HA ARG 81 lone 6 81 - 7 - 7319/3.0=1 HB2 GLU 28 - HA ARG 81 lone 2 70 - 3 - Peak 3581 from cnoeabs.peaks (2.31, 4.36, 53.27 ppm; 3.85 A): 4 out of 7 assignments used, quality = 0.91: * HD3 ARG 81 + HA ARG 81 OK 87 100 - 87 - 5.3=39, 3628/3.0=21...(17) HG2 GLU 63 + HA ARG 81 OK 12 84 - 14 - 4.8/9456=3, 7330/3.6=2...(6) HB2 TYR 41 + HA ARG 81 OK 10 98 - 11 - 3617/3.9=2, 3608/3.9=2...(5) HB2 GLU 48 + HA ARG 81 OK 10 92 - 11 - 3617/3.9=2, 3608/3.9=2...(5) HB2 TYR 4 - HA ARG 81 poor 9 70 - 14 - 3617/3.9=2, 3608/3.9=2...(7) HG3 GLU 16 - HA ARG 81 lone 9 92 - 9 - 3617/3.9=1, 3608/3.9=1...(5) HG3 GLU 43 - HA ARG 81 lone 5 81 - 6 - Peak 3582 from cnoeabs.peaks (8.72, 4.36, 53.27 ppm; 3.08 A): 1 out of 1 assignment used, quality = 0.83: * H LYS 82 + HA ARG 81 OK 83 100 - 83 - 3.6=64, 7325/3.0=15...(15) Peak 3583 from cnoeabs.peaks (8.76, 0.93, 33.91 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 81 + HB2 ARG 81 OK 100 100 - 100 - 4.0=100 Peak 3584 from cnoeabs.peaks (4.36, 0.93, 33.91 ppm; 4.59 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 81 + HB2 ARG 81 OK 100 100 - 100 - 3.0=100 HA ASN 26 + HB2 ARG 81 OK 53 99 - 53 - 3593/1.8=10, 3611/2.9=8...(13) HA ASP 61 - HB2 ARG 81 OK 41 100 - 41 - 3593/1.8=8, 3611/2.9=6...(10) HA SER 102 - HB2 ARG 81 OK 19 65 - 29 - ~10110=7, ~11090=6...(9) Peak 3585 from cnoeabs.peaks (0.93, 0.93, 33.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 81 + HB2 ARG 81 OK 100 100 - 100 Peak 3586 from cnoeabs.peaks (1.06, 0.93, 33.91 ppm; 3.68 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 81 + HB2 ARG 81 OK 100 100 - 100 - 1.8=100 HG2 LYS 82 + HB2 ARG 81 OK 66 99 - 67 - 5.1/7325=12, 3577/3.0=10...(17) HG12 ILE 52 - HB2 ARG 81 OK 25 73 - 33 - 3604/2.9=4, 3613/2.9=4...(14) Peak 3587 from cnoeabs.peaks (0.43, 0.93, 33.91 ppm; 4.48 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 81 + HB2 ARG 81 OK 100 100 - 100 - 2.9=100 QD1 LEU 55 + HB2 ARG 81 OK 79 96 - 83 - 9280/4.0=24, 3596/1.8=18...(19) Peak 3588 from cnoeabs.peaks (0.74, 0.93, 33.91 ppm; 4.22 A): 5 out of 10 assignments used, quality = 1.00: * HG3 ARG 81 + HB2 ARG 81 OK 100 100 - 100 - 2.9=100 HG13 ILE 93 + HB2 ARG 81 OK 67 99 - 67 - 10018=19, 3.2/10322=16...(22) QD1 LEU 64 + HB2 ARG 81 OK 63 100 - 63 - 10248/4.0=14...(17) QG2 ILE 93 + HB2 ARG 81 OK 62 90 - 69 - 10322=20, 3.2/10008=16...(25) QG1 VAL 5 + HB2 ARG 81 OK 54 84 - 64 - ~3594=9, ~3612=7...(25) QD2 LEU 27 - HB2 ARG 81 OK 35 92 - 38 - 3.1/8634=12, 3.1/8633=4...(17) HG13 ILE 15 - HB2 ARG 81 OK 29 77 - 37 - 2.9/3589=5, ~9748=4...(18) QG1 VAL 78 - HB2 ARG 81 OK 22 98 - 23 - 7328/4.3=3, 3606/2.9=2...(8) QG1 VAL 58 - HB2 ARG 81 OK 22 61 - 36 - 3.2/9367=12, ~9387=8...(10) QG2 VAL 78 - HB2 ARG 81 OK 12 65 - 18 - 7328/4.3=1, 3606/2.9=1...(5) Peak 3589 from cnoeabs.peaks (1.73, 0.93, 33.91 ppm; 5.14 A): 4 out of 7 assignments used, quality = 1.00: * HD2 ARG 81 + HB2 ARG 81 OK 100 100 - 100 - 3.4=100 HB ILE 15 + HB2 ARG 81 OK 59 99 - 60 - 3607/2.9=8, 3616/2.9=8...(22) HD3 LYS 33 + HB2 ARG 81 OK 49 100 - 49 - 3616/2.9=6, 3607/2.9=6...(14) HD2 LYS 33 + HB2 ARG 81 OK 49 100 - 49 - 3616/2.9=6, 3607/2.9=6...(14) HB3 LEU 70 - HB2 ARG 81 OK 30 92 - 33 - 3.1/9744=5, 3607/2.9=4...(11) HD2 LYS 90 - HB2 ARG 81 OK 11 81 - 14 - 7319/4.0=2, 3607/2.9=2...(6) HB2 GLU 28 - HB2 ARG 81 lone 5 70 - 7 - Peak 3590 from cnoeabs.peaks (2.31, 0.93, 33.91 ppm; 6.18 A): 1 out of 7 assignments used, quality = 1.00: * HD3 ARG 81 + HB2 ARG 81 OK 100 100 - 100 - 3.4=100 HB2 TYR 4 - HB2 ARG 81 OK 33 70 - 48 - ~10366=8, 3599/1.8=5...(15) HB2 TYR 41 - HB2 ARG 81 OK 29 98 - 29 - 3599/1.8=5, 3608/2.9=4...(9) HB2 GLU 48 - HB2 ARG 81 OK 28 92 - 30 - 3599/1.8=5, 3608/2.9=4...(10) HG2 GLU 63 - HB2 ARG 81 OK 24 84 - 28 - 7330/4.3=4, 3581/3.0=4...(10) HG3 GLU 16 - HB2 ARG 81 OK 22 92 - 24 - 3599/1.8=4, 3617/2.9=4...(7) HG3 GLU 43 - HB2 ARG 81 OK 13 81 - 16 - 3599/1.8=2, 3608/2.9=2...(7) Peak 3591 from cnoeabs.peaks (8.72, 0.93, 33.91 ppm; 5.14 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 82 + HB2 ARG 81 OK 100 100 - 100 - 4.3=100 Peak 3592 from cnoeabs.peaks (8.76, 1.06, 33.91 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 81 + HB3 ARG 81 OK 100 100 - 100 - 4.0=100 Peak 3593 from cnoeabs.peaks (4.36, 1.06, 33.91 ppm; 4.68 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 81 + HB3 ARG 81 OK 100 100 - 100 - 3.0=100 HA ASN 26 + HB3 ARG 81 OK 55 99 - 56 - 3584/1.8=10, 3611/2.9=9...(16) HA ASP 61 - HB3 ARG 81 OK 44 100 - 44 - 3584/1.8=8, 3611/2.9=7...(13) HA SER 102 - HB3 ARG 81 OK 19 65 - 30 - ~10110=8, ~11090=6...(9) Peak 3594 from cnoeabs.peaks (0.93, 1.06, 33.91 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 81 + HB3 ARG 81 OK 100 100 - 100 - 1.8=100 QG2 VAL 5 - HB3 ARG 81 OK 44 81 - 55 - 3612/2.9=9, 3603/2.9=8...(19) Peak 3595 from cnoeabs.peaks (1.06, 1.06, 33.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 81 + HB3 ARG 81 OK 100 100 - 100 Peak 3596 from cnoeabs.peaks (0.43, 1.06, 33.91 ppm; 4.32 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 81 + HB3 ARG 81 OK 100 100 - 100 - 2.9=100 QD1 LEU 55 + HB3 ARG 81 OK 76 96 - 80 - 9280/4.0=22, 3587/1.8=16...(16) Peak 3597 from cnoeabs.peaks (0.74, 1.06, 33.91 ppm; 4.51 A): 5 out of 10 assignments used, quality = 1.00: * HG3 ARG 81 + HB3 ARG 81 OK 100 100 - 100 - 2.9=100 QD1 LEU 64 + HB3 ARG 81 OK 68 100 - 68 - 10248/4.0=16...(19) HG13 ILE 93 + HB3 ARG 81 OK 61 99 - 61 - 10018/1.8=20, ~10322=12...(21) QG2 ILE 93 + HB3 ARG 81 OK 60 90 - 67 - 10322/1.8=19, ~10008=18...(23) QG1 VAL 5 + HB3 ARG 81 OK 55 84 - 65 - 2.1/3594=14, ~3612=8...(21) QD2 LEU 27 - HB3 ARG 81 OK 34 92 - 37 - ~8634=9, ~8633=5...(16) HG13 ILE 15 - HB3 ARG 81 OK 33 77 - 42 - 3.2/9748=6, 2.9/3598=4...(19) QG1 VAL 58 - HB3 ARG 81 OK 24 61 - 40 - ~9367=12, ~9387=9...(12) QG1 VAL 78 - HB3 ARG 81 OK 23 98 - 23 - 7328/4.3=4, 3606/2.9=2...(8) QG2 VAL 78 - HB3 ARG 81 OK 12 65 - 18 - 7328/4.3=2, ~3606=1...(6) Peak 3598 from cnoeabs.peaks (1.73, 1.06, 33.91 ppm; 5.87 A): 4 out of 7 assignments used, quality = 1.00: * HD2 ARG 81 + HB3 ARG 81 OK 100 100 - 100 - 3.4=100 HB ILE 15 + HB3 ARG 81 OK 68 99 - 69 - 2.1/9748=10, 3589/1.8=9...(24) HD3 LYS 33 + HB3 ARG 81 OK 56 100 - 56 - 3589/1.8=8, 3616/2.9=7...(16) HD2 LYS 33 + HB3 ARG 81 OK 56 100 - 56 - 3589/1.8=8, 3616/2.9=7...(16) HB3 LEU 70 - HB3 ARG 81 OK 38 92 - 41 - 3.1/9748=5, 3589/1.8=5...(14) HD2 LYS 90 - HB3 ARG 81 OK 14 81 - 17 - 7319/4.0=2, 3589/1.8=2...(8) HB2 GLU 28 - HB3 ARG 81 lone 6 70 - 8 - Peak 3599 from cnoeabs.peaks (2.31, 1.06, 33.91 ppm; 6.22 A): 1 out of 7 assignments used, quality = 1.00: * HD3 ARG 81 + HB3 ARG 81 OK 100 100 - 100 - 3.4=100 HB2 TYR 4 - HB3 ARG 81 OK 34 70 - 49 - ~10366=8, ~8140=7...(14) HB2 GLU 48 - HB3 ARG 81 OK 30 92 - 32 - 3590/1.8=5, 3608/2.9=4...(10) HB2 TYR 41 - HB3 ARG 81 OK 30 98 - 30 - 3590/1.8=5, 3608/2.9=4...(9) HG2 GLU 63 - HB3 ARG 81 OK 25 84 - 29 - 7330/4.3=4, 3581/3.0=4...(10) HG3 GLU 16 - HB3 ARG 81 OK 23 92 - 24 - 3590/1.8=4, 3617/2.9=4...(7) HG3 GLU 43 - HB3 ARG 81 OK 14 81 - 17 - 3590/1.8=2, 3608/2.9=2...(8) Peak 3600 from cnoeabs.peaks (8.72, 1.06, 33.91 ppm; 5.16 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 82 + HB3 ARG 81 OK 100 100 - 100 - 4.3=100 Peak 3601 from cnoeabs.peaks (8.76, 0.43, 25.88 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 81 + HG2 ARG 81 OK 100 100 - 100 - 4.9=100 Peak 3602 from cnoeabs.peaks (4.36, 0.43, 25.88 ppm; 4.66 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 81 + HG2 ARG 81 OK 100 100 - 100 - 3.9=100 HA ASN 26 + HG2 ARG 81 OK 53 99 - 53 - 3611/1.8=10, 3629/3.0=9...(12) HA ASP 61 - HG2 ARG 81 OK 38 100 - 38 - 3611/1.8=8, 3593/2.9=7...(8) HA SER 102 - HG2 ARG 81 OK 19 65 - 29 - ~11090=8, 3.0/10110=7...(7) Peak 3603 from cnoeabs.peaks (0.93, 0.43, 25.88 ppm; 3.93 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 81 + HG2 ARG 81 OK 100 100 - 100 - 2.9=100 QG2 VAL 5 + HG2 ARG 81 OK 50 81 - 61 - 3612/1.8=13, 3594/2.9=10...(21) Peak 3604 from cnoeabs.peaks (1.06, 0.43, 25.88 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 81 + HG2 ARG 81 OK 100 100 - 100 - 2.9=100 HG2 LYS 82 + HG2 ARG 81 OK 62 99 - 62 - 3613/1.8=13, 3586/2.9=11...(12) HG12 ILE 52 - HG2 ARG 81 OK 30 73 - 41 - 3.8/9156=7, 3613/1.8=6...(15) Peak 3605 from cnoeabs.peaks (0.43, 0.43, 25.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 81 + HG2 ARG 81 OK 100 100 - 100 Peak 3606 from cnoeabs.peaks (0.74, 0.43, 25.88 ppm; 3.20 A): 1 out of 10 assignments used, quality = 1.00: * HG3 ARG 81 + HG2 ARG 81 OK 100 100 - 100 - 1.8=100 QD1 LEU 64 - HG2 ARG 81 OK 36 100 - 36 - 10248/4.8=6, 10248/4.9=6...(16) QG1 VAL 5 - HG2 ARG 81 OK 35 84 - 41 - 2.1/3603=8, ~3612=5...(19) QG2 ILE 93 - HG2 ARG 81 OK 34 90 - 38 - 10322/2.9=8, ~10008=6...(15) HG13 ILE 93 - HG2 ARG 81 OK 34 99 - 34 - 10018/2.9=8, ~10017=4...(13) QD2 LEU 27 - HG2 ARG 81 OK 18 92 - 19 - ~8634=3, ~8633=1...(10) QG1 VAL 78 - HG2 ARG 81 OK 18 98 - 18 - 4.3/9692=6, 7328/4.8=1 HG13 ILE 15 - HG2 ARG 81 OK 17 77 - 23 - 2.9/3607=3, 3.2/9747=2...(13) QG2 VAL 78 - HG2 ARG 81 OK 10 65 - 16 - 4.3/9692=6 QG1 VAL 58 - HG2 ARG 81 poor 10 61 - 16 - ~9367=4, 10713/4.8=3...(4) Peak 3607 from cnoeabs.peaks (1.73, 0.43, 25.88 ppm; 4.29 A): 2 out of 7 assignments used, quality = 1.00: * HD2 ARG 81 + HG2 ARG 81 OK 100 100 - 100 - 3.0=100 HB ILE 15 + HG2 ARG 81 OK 49 99 - 49 - 3616/1.8=7, 3634/3.0=6...(20) HD3 LYS 33 - HG2 ARG 81 OK 36 100 - 36 - 3616/1.8=5, 3634/3.0=4...(12) HD2 LYS 33 - HG2 ARG 81 OK 36 100 - 36 - 3616/1.8=5, 3634/3.0=4...(12) HB3 LEU 70 - HG2 ARG 81 OK 24 92 - 26 - 3616/1.8=3, 3.1/9747=3...(12) HD2 LYS 90 - HG2 ARG 81 poor 9 81 - 11 - 3616/1.8=1 HB2 GLU 28 - HG2 ARG 81 lone 3 70 - 5 - Peak 3608 from cnoeabs.peaks (2.31, 0.43, 25.88 ppm; 4.45 A): 1 out of 7 assignments used, quality = 1.00: * HD3 ARG 81 + HG2 ARG 81 OK 100 100 - 100 - 3.0=100 HB2 TYR 4 - HG2 ARG 81 OK 21 70 - 31 - 3617/1.8=5, ~10366=4...(13) HB2 TYR 41 - HG2 ARG 81 OK 18 98 - 18 - 3617/1.8=4, 3626/3.0=2...(9) HB2 GLU 48 - HG2 ARG 81 OK 17 92 - 19 - 3617/1.8=4, 3626/3.0=2...(7) HG2 GLU 63 - HG2 ARG 81 OK 15 84 - 17 - 3617/1.8=3, 3581/3.9=2...(8) HG3 GLU 16 - HG2 ARG 81 OK 14 92 - 15 - 3617/1.8=3, 3626/3.0=2...(7) HG3 GLU 43 - HG2 ARG 81 lone 8 81 - 9 - 3617/1.8=2, 3581/3.9=1 Peak 3609 from cnoeabs.peaks (8.72, 0.43, 25.88 ppm; 5.72 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 82 + HG2 ARG 81 OK 100 100 - 100 - 4.8=100 Peak 3610 from cnoeabs.peaks (8.76, 0.74, 25.88 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 81 + HG3 ARG 81 OK 100 100 - 100 - 4.9=92, 3601/1.8=38...(20) Peak 3611 from cnoeabs.peaks (4.36, 0.74, 25.88 ppm; 4.29 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 81 + HG3 ARG 81 OK 100 100 - 100 - 3.9=100 HA ASN 26 + HG3 ARG 81 OK 49 99 - 49 - 3602/1.8=8, 3629/3.0=8...(12) HA ASP 61 - HG3 ARG 81 OK 36 100 - 36 - 3602/1.8=6, 3593/2.9=6...(7) HA SER 102 - HG3 ARG 81 OK 17 65 - 26 - ~10110=8, 3.0/11090=6...(7) Peak 3612 from cnoeabs.peaks (0.93, 0.74, 25.88 ppm; 3.75 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 81 + HG3 ARG 81 OK 100 100 - 100 - 2.9=100 QG2 VAL 5 + HG3 ARG 81 OK 48 81 - 59 - 3603/1.8=11, 3594/2.9=9...(20) Peak 3613 from cnoeabs.peaks (1.06, 0.74, 25.88 ppm; 3.86 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 81 + HG3 ARG 81 OK 100 100 - 100 - 2.9=100 HG2 LYS 82 + HG3 ARG 81 OK 63 99 - 64 - 3604/1.8=11, 3586/2.9=11...(14) HG12 ILE 52 - HG3 ARG 81 OK 28 73 - 39 - 3.8/10923=6, 3604/1.8=6...(15) Peak 3614 from cnoeabs.peaks (0.43, 0.74, 25.88 ppm; 3.02 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 81 + HG3 ARG 81 OK 100 100 - 100 - 1.8=100 QD1 LEU 55 + HG3 ARG 81 OK 53 96 - 56 - 9280/4.9=8, 3632/3.0=7...(14) Peak 3615 from cnoeabs.peaks (0.74, 0.74, 25.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 81 + HG3 ARG 81 OK 100 100 - 100 Peak 3616 from cnoeabs.peaks (1.73, 0.74, 25.88 ppm; 4.31 A): 2 out of 7 assignments used, quality = 1.00: * HD2 ARG 81 + HG3 ARG 81 OK 100 100 - 100 - 3.0=100 HB ILE 15 + HG3 ARG 81 OK 49 99 - 49 - 3607/1.8=7, 3634/3.0=6...(21) HD3 LYS 33 - HG3 ARG 81 OK 36 100 - 36 - 3607/1.8=5, 3634/3.0=4...(12) HD2 LYS 33 - HG3 ARG 81 OK 36 100 - 36 - 3607/1.8=5, 3634/3.0=4...(12) HB3 LEU 70 - HG3 ARG 81 OK 22 92 - 24 - 3607/1.8=4, 3589/2.9=2...(11) HD2 LYS 90 - HG3 ARG 81 poor 9 81 - 11 - 3607/1.8=1 HB2 GLU 28 - HG3 ARG 81 lone 4 70 - 6 - 4.0/6452=1 Peak 3617 from cnoeabs.peaks (2.31, 0.74, 25.88 ppm; 4.27 A): 1 out of 7 assignments used, quality = 1.00: * HD3 ARG 81 + HG3 ARG 81 OK 100 100 - 100 - 3.0=100 HB2 TYR 4 - HG3 ARG 81 OK 21 70 - 31 - 3608/1.8=4, ~10366=4...(14) HB2 TYR 41 - HG3 ARG 81 OK 17 98 - 17 - 3608/1.8=3, 3626/3.0=2...(9) HB2 GLU 48 - HG3 ARG 81 OK 17 92 - 18 - 3608/1.8=3, 3626/3.0=2...(7) HG2 GLU 63 - HG3 ARG 81 OK 14 84 - 17 - 3608/1.8=3, 3581/3.9=2...(7) HG3 GLU 16 - HG3 ARG 81 OK 14 92 - 15 - 3608/1.8=3, 3626/3.0=2...(7) HG3 GLU 43 - HG3 ARG 81 lone 7 81 - 9 - 3608/1.8=2 Peak 3618 from cnoeabs.peaks (8.72, 0.74, 25.88 ppm; 5.50 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 82 + HG3 ARG 81 OK 100 100 - 100 - 4.8=100 Peak 3619 from cnoeabs.peaks (8.76, 1.73, 42.21 ppm; 5.15 A): 1 out of 1 assignment used, quality = 0.99: * H ARG 81 + HD2 ARG 81 OK 99 100 - 99 - 6.2=57, 3628/1.8=44...(14) Peak 3620 from cnoeabs.peaks (4.36, 1.73, 42.21 ppm; 4.03 A): 2 out of 4 assignments used, quality = 0.93: * HA ARG 81 + HD2 ARG 81 OK 89 100 - 89 - 5.3=45, 3581/1.8=25...(15) HA ASN 26 + HD2 ARG 81 OK 38 99 - 39 - 3629/1.8=9, 3611/3.0=7...(11) HA ASP 61 - HD2 ARG 81 OK 27 100 - 27 - 3629/1.8=6, 3611/3.0=5...(7) HA SER 102 - HD2 ARG 81 OK 13 65 - 20 - ~10110=5, ~11090=4...(7) Peak 3621 from cnoeabs.peaks (0.93, 1.73, 42.21 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 81 + HD2 ARG 81 OK 100 100 - 100 - 3.4=100 QG2 VAL 5 + HD2 ARG 81 OK 47 81 - 58 - 3630/1.8=12, 3612/3.0=11...(19) Peak 3622 from cnoeabs.peaks (1.06, 1.73, 42.21 ppm; 4.27 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 81 + HD2 ARG 81 OK 100 100 - 100 - 3.4=100 HG2 LYS 82 + HD2 ARG 81 OK 64 99 - 65 - 5.1/3627=15, 3631/1.8=12...(12) HG12 ILE 52 - HD2 ARG 81 OK 31 73 - 42 - 3631/1.8=6, 3604/3.0=5...(15) Peak 3623 from cnoeabs.peaks (0.43, 1.73, 42.21 ppm; 3.71 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 81 + HD2 ARG 81 OK 100 100 - 100 - 3.0=100 QD1 LEU 55 + HD2 ARG 81 OK 60 96 - 62 - 3632/1.8=14, 3614/3.0=12...(14) Peak 3624 from cnoeabs.peaks (0.74, 1.73, 42.21 ppm; 3.83 A): 1 out of 10 assignments used, quality = 1.00: * HG3 ARG 81 + HD2 ARG 81 OK 100 100 - 100 - 3.0=100 HG13 ILE 93 - HD2 ARG 81 OK 41 99 - 42 - 10018/3.4=11, ~10017=5...(17) QG2 ILE 93 - HD2 ARG 81 OK 41 90 - 46 - 10322/3.4=11, ~10008=8...(18) QG1 VAL 5 - HD2 ARG 81 OK 40 84 - 48 - 2.1/3621=10, ~3630=7...(17) QD1 LEU 64 - HD2 ARG 81 OK 31 100 - 31 - 10248/6.2=6, 9483/5.3=6...(12) HG13 ILE 15 - HD2 ARG 81 OK 28 77 - 36 - 2.1/679=4, 3.2/655=3...(19) QD2 LEU 27 - HD2 ARG 81 OK 19 92 - 20 - ~8634=4, 3633/1.8=2...(9) QG1 VAL 78 - HD2 ARG 81 OK 15 98 - 15 - 3606/3.0=2, 3633/1.8=2...(4) QG1 VAL 58 - HD2 ARG 81 OK 11 61 - 17 - ~9367=5, ~10717=2...(7) QG2 VAL 78 - HD2 ARG 81 poor 8 65 - 12 - 3606/3.0=1, ~3633=1, ~3606=1 Peak 3625 from cnoeabs.peaks (1.73, 1.73, 42.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 81 + HD2 ARG 81 OK 100 100 - 100 Peak 3626 from cnoeabs.peaks (2.31, 1.73, 42.21 ppm; 2.88 A): 1 out of 7 assignments used, quality = 1.00: * HD3 ARG 81 + HD2 ARG 81 OK 100 100 - 100 - 1.8=100 HB2 TYR 4 - HD2 ARG 81 poor 9 70 - 13 - 3.0/10366=3, ~156=1...(5) HB2 GLU 48 - HD2 ARG 81 lone 7 92 - 7 - 3617/3.0=1, 3608/3.0=1 HB2 TYR 41 - HD2 ARG 81 lone 7 98 - 7 - 3617/3.0=1, 3608/3.0=1, ~1893=1 HG3 GLU 16 - HD2 ARG 81 lone 5 92 - 6 - HG2 GLU 63 - HD2 ARG 81 lone 5 84 - 6 - HG3 GLU 43 - HD2 ARG 81 lone 3 81 - 3 - Peak 3627 from cnoeabs.peaks (8.72, 1.73, 42.21 ppm; 5.45 A): 1 out of 1 assignment used, quality = 0.95: * H LYS 82 + HD2 ARG 81 OK 95 100 - 95 - 3636/1.8=47, 3582/5.3=36...(11) Peak 3628 from cnoeabs.peaks (8.76, 2.31, 42.21 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.97: * H ARG 81 + HD3 ARG 81 OK 97 100 - 97 - 6.2=47, 3619/1.8=36...(15) Peak 3629 from cnoeabs.peaks (4.36, 2.31, 42.21 ppm; 3.77 A): 4 out of 4 assignments used, quality = 0.94: * HA ARG 81 + HD3 ARG 81 OK 86 100 - 86 - 5.3=37, 3.0/3628=20...(16) HA ASN 26 + HD3 ARG 81 OK 36 99 - 36 - 3620/1.8=8, 3611/3.0=6...(11) HA ASP 61 + HD3 ARG 81 OK 25 100 - 25 - 3620/1.8=5, 3611/3.0=4...(7) HA SER 102 + HD3 ARG 81 OK 12 65 - 18 - ~10110=4, ~11090=4...(7) Peak 3630 from cnoeabs.peaks (0.93, 2.31, 42.21 ppm; 4.14 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 81 + HD3 ARG 81 OK 100 100 - 100 - 3.4=100 QG2 VAL 5 + HD3 ARG 81 OK 49 81 - 60 - 3621/1.8=12, 3612/3.0=11...(21) Peak 3631 from cnoeabs.peaks (1.06, 2.31, 42.21 ppm; 4.44 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 81 + HD3 ARG 81 OK 100 100 - 100 - 3.4=100 HG2 LYS 82 + HD3 ARG 81 OK 68 99 - 69 - 5.1/3636=19, 3622/1.8=13...(12) HG12 ILE 52 - HD3 ARG 81 OK 33 73 - 44 - 3.0/10645=8, 3622/1.8=7...(13) Peak 3632 from cnoeabs.peaks (0.43, 2.31, 42.21 ppm; 3.77 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 81 + HD3 ARG 81 OK 100 100 - 100 - 3.0=100 QD1 LEU 55 + HD3 ARG 81 OK 65 96 - 68 - 3623/1.8=14, 3614/3.0=12...(16) Peak 3633 from cnoeabs.peaks (0.74, 2.31, 42.21 ppm; 3.93 A): 1 out of 10 assignments used, quality = 1.00: * HG3 ARG 81 + HD3 ARG 81 OK 100 100 - 100 - 3.0=100 HG13 ILE 93 - HD3 ARG 81 OK 43 99 - 43 - 10018/3.4=12, ~10017=6...(17) QG2 ILE 93 - HD3 ARG 81 OK 43 90 - 48 - 10322/3.4=11, ~10008=9...(18) QG1 VAL 5 - HD3 ARG 81 OK 42 84 - 50 - 2.1/3630=11, ~3621=7...(19) QD1 LEU 64 - HD3 ARG 81 OK 34 100 - 34 - 10248/6.2=6, 9483/5.3=6...(13) HG13 ILE 15 - HD3 ARG 81 OK 25 77 - 33 - 2.9/3634=5, 3624/1.8=3...(16) QD2 LEU 27 - HD3 ARG 81 OK 20 92 - 21 - ~8634=4, 3624/1.8=2...(10) QG1 VAL 78 - HD3 ARG 81 OK 16 98 - 16 - 3606/3.0=2, 3624/1.8=2...(6) QG1 VAL 58 - HD3 ARG 81 OK 11 61 - 19 - ~9367=6, 10713/3636=2...(7) QG2 VAL 78 - HD3 ARG 81 poor 8 65 - 12 - 3606/3.0=1, ~3606=1, ~3624=1 Peak 3634 from cnoeabs.peaks (1.73, 2.31, 42.21 ppm; 2.91 A): 1 out of 7 assignments used, quality = 1.00: * HD2 ARG 81 + HD3 ARG 81 OK 100 100 - 100 - 1.8=100 HB ILE 15 - HD3 ARG 81 OK 22 99 - 22 - 3607/3.0=3, 3616/3.0=3...(11) HD3 LYS 33 - HD3 ARG 81 OK 16 100 - 16 - 3607/3.0=2, 3616/3.0=2...(10) HD2 LYS 33 - HD3 ARG 81 OK 16 100 - 16 - 3607/3.0=2, 3616/3.0=2...(10) HB3 LEU 70 - HD3 ARG 81 lone 9 92 - 9 - 3607/3.0=1, 3616/3.0=1 HD2 LYS 90 - HD3 ARG 81 lone 4 81 - 4 - HB2 GLU 28 - HD3 ARG 81 lone 1 70 - 2 - Peak 3635 from cnoeabs.peaks (2.31, 2.31, 42.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 81 + HD3 ARG 81 OK 100 100 - 100 Peak 3636 from cnoeabs.peaks (8.72, 2.31, 42.21 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.92: * H LYS 82 + HD3 ARG 81 OK 92 100 - 92 - 3627/1.8=32, 7325/3.4=31...(12) Peak 3637 from cnoeabs.peaks (8.72, 4.70, 54.96 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 82 + HA LYS 82 OK 100 100 - 100 - 3.0=100 Peak 3638 from cnoeabs.peaks (4.70, 4.70, 54.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 82 + HA LYS 82 OK 100 100 - 100 Peak 3639 from cnoeabs.peaks (1.34, 4.70, 54.96 ppm; 4.77 A): 3 out of 11 assignments used, quality = 1.00: * HB2 LYS 82 + HA LYS 82 OK 100 100 - 100 - 3.0=100 HB3 LEU 27 + HA LYS 82 OK 53 100 - 54 - 3661/3.0=6, 3683/3.9=6...(19) HG LEU 14 + HA LYS 82 OK 49 97 - 50 - 11079/9305=6, 3661/3.0=4...(20) HG2 LYS 39 - HA LYS 82 OK 36 100 - 36 - 7332/3.0=5, 3661/3.0=4...(16) HG3 LYS 40 - HA LYS 82 OK 31 73 - 42 - 3.0/3693=6, 3.0/3693=5...(19) QB ALA 89 - HA LYS 82 OK 29 99 - 29 - 9931/9785=9, 7344/3.6=5...(8) QB ALA 67 - HA LYS 82 OK 29 98 - 29 - 10783/3.0=5, 9528/9305=4...(12) QB ALA 25 - HA LYS 82 OK 19 99 - 19 - 3683/3.9=2, 3672/3.9=2...(9) HG3 LYS 68 - HA LYS 82 OK 19 98 - 20 - 12321/9711=2...(9) HB3 LEU 2 - HA LYS 82 OK 19 92 - 20 - 4.0/11123=2, 7332/3.0=1...(7) HG2 LYS 94 - HA LYS 82 OK 13 99 - 12 - 7344/3.6=1, 7332/3.0=1 Peak 3640 from cnoeabs.peaks (1.76, 4.70, 54.96 ppm; 3.78 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 82 + HA LYS 82 OK 100 100 - 100 - 3.0=100 HB ILE 56 + HA LYS 82 OK 55 100 - 56 - 2.1/9305=10, 3651/3.0=7...(24) HB VAL 78 - HA LYS 82 OK 36 73 - 49 - 2.1/10901=17...(16) HG3 ARG 19 - HA LYS 82 OK 33 99 - 33 - 3651/3.0=5, 3684/3.9=4...(14) HB2 LYS 66 - HA LYS 82 OK 20 100 - 20 - 3651/3.0=2, 7333/3.0=2...(8) HB3 GLU 63 - HA LYS 82 OK 19 81 - 24 - 9380/10228=3, 3651/3.0=2...(12) Peak 3647 from cnoeabs.peaks (9.11, 4.70, 54.96 ppm; 3.27 A): 2 out of 2 assignments used, quality = 0.94: * H VAL 83 + HA LYS 82 OK 93 100 - 93 - 3.6=77, 7340/3.0=14...(15) H ARG 30 + HA LYS 82 OK 12 65 - 18 - 3658/3.0=3, 3669/3.0=3...(6) Peak 3648 from cnoeabs.peaks (8.72, 1.34, 32.60 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.98: * H LYS 82 + HB2 LYS 82 OK 98 100 - 98 - 4.0=87, 3659/1.8=39...(16) Peak 3649 from cnoeabs.peaks (4.70, 1.34, 32.60 ppm; 4.01 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 82 + HB2 LYS 82 OK 100 100 - 100 - 3.0=100 HA ARG 79 + HB2 LYS 82 OK 54 90 - 60 - 3660/1.8=13, 3671/2.9=10...(13) Peak 3650 from cnoeabs.peaks (1.34, 1.34, 32.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 82 + HB2 LYS 82 OK 100 100 - 100 Peak 3651 from cnoeabs.peaks (1.76, 1.34, 32.60 ppm; 2.87 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 82 + HB2 LYS 82 OK 100 100 - 100 - 1.8=100 HB ILE 56 - HB2 LYS 82 OK 40 100 - 40 - 2.1/9325=4, 3640/3.0=3...(21) HG3 ARG 19 - HB2 LYS 82 OK 26 99 - 27 - 3684/2.9=3, 3673/2.9=3...(14) HB VAL 78 - HB2 LYS 82 OK 18 73 - 24 - ~10901=6, ~10900=4...(10) HB2 LYS 66 - HB2 LYS 82 OK 14 100 - 14 - 3684/2.9=1, 3673/2.9=1 HB3 GLU 63 - HB2 LYS 82 OK 13 81 - 16 - 3684/2.9=1, 3673/2.9=1...(4) Peak 3652 from cnoeabs.peaks (1.06, 1.34, 32.60 ppm; 3.89 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 82 + HB2 LYS 82 OK 100 100 - 100 - 2.9=100 HB3 ARG 81 + HB2 LYS 82 OK 71 99 - 72 - 4.3/3648=21, 3663/1.8=14...(17) HG2 ARG 91 - HB2 LYS 82 OK 27 77 - 34 - 3663/1.8=5, 3685/2.9=4...(18) Peak 3653 from cnoeabs.peaks (1.14, 1.34, 32.60 ppm; 3.73 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 82 + HB2 LYS 82 OK 100 100 - 100 - 2.9=100 HB3 LEU 3 + HB2 LYS 82 OK 49 87 - 57 - 3664/1.8=10, 3675/2.9=9...(18) QG2 THR 31 - HB2 LYS 82 OK 30 100 - 29 - 3664/1.8=6, 8742/4.6=4...(10) Peak 3654 from cnoeabs.peaks (1.46, 1.34, 32.60 ppm; 3.71 A): 4 out of 14 assignments used, quality = 1.00: * HD2 LYS 82 + HB2 LYS 82 OK 100 100 - 100 - 3.5=100 HB2 LEU 27 + HB2 LYS 82 OK 50 100 - 51 - 1191=6, ~3661=4...(23) HD2 LYS 40 + HB2 LYS 82 OK 48 99 - 49 - 3697/2.9=5, 3695/1.8=5...(22) HD3 LYS 40 + HB2 LYS 82 OK 47 98 - 48 - 3665/1.8=4, 3697/2.9=4...(22) HG3 ARG 91 - HB2 LYS 82 OK 27 97 - 28 - 1.8/3652=5, 4057/2.9=3...(12) HG LEU 38 - HB2 LYS 82 OK 27 100 - 26 - 2.1/9756=8, ~9758=5...(7) HB2 LEU 38 - HB2 LYS 82 OK 25 99 - 26 - 3.1/9756=6, ~9758=4...(8) HD2 LYS 53 - HB2 LYS 82 OK 22 100 - 22 - 1.8/3655=3, 2444/3.5=3...(8) HG2 LYS 53 - HB2 LYS 82 OK 19 99 - 19 - 3.0/3655=2, 3687/2.9=2...(11) HG3 LYS 39 - HB2 LYS 82 OK 18 65 - 28 - 3.5/3657=5, 3.0/1739=3...(13) HG3 LYS 53 - HB2 LYS 82 OK 18 94 - 19 - 3.0/3655=2, 3687/2.9=2...(11) HG13 ILE 52 - HB2 LYS 82 OK 14 100 - 14 - 2.1/9757=3, ~9759=2, 3665/1.8=1 HG2 LYS 20 - HB2 LYS 82 lone 4 100 - 4 - HG2 LYS 12 - HB2 LYS 82 lone 2 81 - 3 - Peak 3655 from cnoeabs.peaks (1.57, 1.34, 32.60 ppm; 3.48 A): 1 out of 9 assignments used, quality = 0.98: * HD3 LYS 82 + HB2 LYS 82 OK 98 100 - 98 - 3.5=94, 3.0/3657=14...(16) HB2 LEU 3 - HB2 LYS 82 OK 37 84 - 45 - 1.8/3653=9, ~3664=6...(16) HG2 ARG 19 - HB2 LYS 82 OK 19 61 - 30 - 1.8/3651=5, 3666/1.8=3...(15) HG LEU 103 - HB2 LYS 82 OK 17 73 - 23 - 2.1/9756=6, ~9758=4...(9) HD3 LYS 53 - HB2 LYS 82 OK 16 81 - 19 - 3688/2.9=2, 3677/2.9=2...(12) HB2 LEU 103 - HB2 LYS 82 OK 12 61 - 19 - 3.1/9756=5, ~9758=3...(6) HB3 GLU 28 - HB2 LYS 82 OK 11 100 - 11 - 4.0/6450=2, 3666/1.8=1...(4) HG3 LYS 90 - HB2 LYS 82 lone 2 65 - 3 - HG2 LYS 33 - HB2 LYS 82 lone 1 65 - 2 - Peak 3656 from cnoeabs.peaks (2.74, 1.34, 32.60 ppm; 4.82 A): 3 out of 4 assignments used, quality = 1.00: * HE2 LYS 82 + HB2 LYS 82 OK 100 100 - 100 - 4.8=100 HB2 ASN 26 + HB2 LYS 82 OK 58 100 - 58 - 3.0/9764=10, 3667/1.8=10...(13) HB3 ASP 61 + HB2 LYS 82 OK 51 98 - 52 - 3711/3.5=10, 3667/1.8=10...(9) HB3 ASN 10 - HB2 LYS 82 lone 5 77 - 6 - 3667/1.8=1 Peak 3657 from cnoeabs.peaks (2.85, 1.34, 32.60 ppm; 4.43 A): 1 out of 2 assignments used, quality = 0.96: * HE3 LYS 82 + HB2 LYS 82 OK 96 100 - 96 - 4.8=78, 3668/1.8=33...(15) HE2 LYS 39 - HB2 LYS 82 OK 36 73 - 48 - 3668/1.8=11, 3679/2.9=8...(13) Peak 3658 from cnoeabs.peaks (9.11, 1.34, 32.60 ppm; 4.32 A): 1 out of 2 assignments used, quality = 0.98: * H VAL 83 + HB2 LYS 82 OK 98 100 - 98 - 4.6=81, 3647/3.0=35...(18) H ARG 30 - HB2 LYS 82 OK 22 65 - 33 - 3669/1.8=7, 3691/2.9=6...(7) Peak 3659 from cnoeabs.peaks (8.72, 1.76, 32.60 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.95: * H LYS 82 + HB3 LYS 82 OK 95 100 - 95 - 4.0=78, 3648/1.8=35...(15) Peak 3660 from cnoeabs.peaks (4.70, 1.76, 32.60 ppm; 4.10 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 82 + HB3 LYS 82 OK 100 100 - 100 - 3.0=100 HA ARG 79 + HB3 LYS 82 OK 55 90 - 62 - 3649/1.8=14, 3671/2.9=10...(14) Peak 3661 from cnoeabs.peaks (1.34, 1.76, 32.60 ppm; 2.85 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LYS 82 + HB3 LYS 82 OK 100 100 - 100 - 1.8=100 HB3 LEU 27 - HB3 LYS 82 OK 32 100 - 33 - 3683/2.9=3, 3672/2.9=3...(19) HG LEU 14 - HB3 LYS 82 OK 22 97 - 23 - 2.1/9759=3, 3683/2.9=2...(11) HG2 LYS 39 - HB3 LYS 82 OK 19 100 - 19 - 3.5/3668=3, 3683/2.9=2...(6) HG3 LYS 40 - HB3 LYS 82 OK 14 73 - 20 - 3.0/3695=2, 3.0/3665=2...(6) QB ALA 67 - HB3 LYS 82 OK 13 98 - 13 - 10783=1, 2.9/7086=1, 9528/2571=1 QB ALA 25 - HB3 LYS 82 lone 8 99 - 8 - HG3 LYS 68 - HB3 LYS 82 lone 7 98 - 7 - QB ALA 89 - HB3 LYS 82 lone 7 99 - 7 - 7344/4.6=1 HB3 LEU 2 - HB3 LYS 82 lone 7 92 - 7 - HG2 LYS 94 - HB3 LYS 82 lone 5 99 - 5 - Peak 3662 from cnoeabs.peaks (1.76, 1.76, 32.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 82 + HB3 LYS 82 OK 100 100 - 100 Peak 3663 from cnoeabs.peaks (1.06, 1.76, 32.60 ppm; 3.80 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 82 + HB3 LYS 82 OK 100 100 - 100 - 2.9=100 HB3 ARG 81 + HB3 LYS 82 OK 71 99 - 72 - 4.3/3659=21, 3652/1.8=13...(18) HG2 ARG 91 - HB3 LYS 82 OK 25 77 - 32 - 3652/1.8=5, 3685/2.9=4...(16) Peak 3664 from cnoeabs.peaks (1.14, 1.76, 32.60 ppm; 3.81 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 82 + HB3 LYS 82 OK 100 100 - 100 - 2.9=100 HB3 LEU 3 + HB3 LYS 82 OK 49 87 - 57 - 3653/1.8=10, 3675/2.9=9...(17) QG2 THR 31 - HB3 LYS 82 OK 31 100 - 30 - 3653/1.8=6, 8742/4.6=4...(10) Peak 3665 from cnoeabs.peaks (1.46, 1.76, 32.60 ppm; 3.71 A): 3 out of 14 assignments used, quality = 1.00: * HD2 LYS 82 + HB3 LYS 82 OK 100 100 - 100 - 3.5=100 HD2 LYS 40 + HB3 LYS 82 OK 50 99 - 51 - 3695=6, 3697/2.9=5...(24) HD3 LYS 40 + HB3 LYS 82 OK 49 98 - 51 - 3695=5, 1.8/3695=5...(24) HB2 LEU 27 - HB3 LYS 82 OK 44 100 - 44 - 1.8/3661=6, 1191/1.8=5...(20) HG3 ARG 91 - HB3 LYS 82 OK 26 97 - 26 - 1.8/3663=5, 4057/2.9=3...(11) HG LEU 38 - HB3 LYS 82 OK 25 100 - 25 - 2.1/9758=7, ~9756=5...(8) HB2 LEU 38 - HB3 LYS 82 OK 23 99 - 23 - 3.1/9758=6, ~9756=4...(8) HD2 LYS 53 - HB3 LYS 82 OK 21 100 - 21 - 2444/3.5=3, 1.8/3666=3...(8) HG2 LYS 53 - HB3 LYS 82 OK 19 99 - 19 - 3.0/3666=2, 3687/2.9=2...(11) HG3 LYS 53 - HB3 LYS 82 OK 17 94 - 18 - 3.0/3666=2, 3687/2.9=2...(11) HG3 LYS 39 - HB3 LYS 82 OK 16 65 - 24 - 3.5/3668=6, 1.8/3661=4...(10) HG13 ILE 52 - HB3 LYS 82 OK 14 100 - 13 - 2.1/9759=2, ~9757=2, 3654/1.8=1 HG2 LYS 20 - HB3 LYS 82 lone 6 100 - 6 - 4.9/6303=2 HG2 LYS 12 - HB3 LYS 82 lone 2 81 - 2 - Peak 3666 from cnoeabs.peaks (1.57, 1.76, 32.60 ppm; 4.05 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 82 + HB3 LYS 82 OK 100 100 - 100 - 3.5=100 HB2 LEU 3 + HB3 LYS 82 OK 45 84 - 54 - 1.8/3664=11, ~3653=8...(15) HG2 ARG 19 - HB3 LYS 82 OK 29 61 - 47 - 3.0/794=5, 3.0/804=5...(21) HG LEU 103 - HB3 LYS 82 OK 22 73 - 30 - 2.1/9758=7, ~9756=6...(11) HD3 LYS 53 - HB3 LYS 82 OK 20 81 - 25 - 3655/1.8=3, 3688/2.9=3...(14) HB2 LEU 103 - HB3 LYS 82 OK 15 61 - 24 - 3.1/9758=6, ~9756=4...(11) HB3 GLU 28 - HB3 LYS 82 OK 13 100 - 13 - 3655/1.8=2, 3688/2.9=2...(8) HG3 LYS 90 - HB3 LYS 82 lone 2 65 - 3 - HG2 LYS 33 - HB3 LYS 82 lone 2 65 - 3 - Peak 3667 from cnoeabs.peaks (2.74, 1.76, 32.60 ppm; 4.59 A): 3 out of 4 assignments used, quality = 1.00: * HE2 LYS 82 + HB3 LYS 82 OK 98 100 - 98 - 4.8=87, 1.8/3668=34...(19) HB3 ASP 61 + HB3 LYS 82 OK 47 98 - 48 - 3711/3.5=10, 3656/1.8=9...(9) HB2 ASN 26 + HB3 LYS 82 OK 46 100 - 46 - 3656/1.8=10, 3678/2.9=8...(9) HB3 ASN 10 - HB3 LYS 82 lone 4 77 - 5 - Peak 3668 from cnoeabs.peaks (2.85, 1.76, 32.60 ppm; 4.01 A): 2 out of 2 assignments used, quality = 0.92: * HE3 LYS 82 + HB3 LYS 82 OK 88 100 - 88 - 4.8=58, 3657/1.8=24...(16) HE2 LYS 39 + HB3 LYS 82 OK 30 73 - 41 - 3657/1.8=9, 3679/2.9=7...(12) Peak 3669 from cnoeabs.peaks (9.11, 1.76, 32.60 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 83 + HB3 LYS 82 OK 100 100 - 100 - 4.6=100 H ARG 30 - HB3 LYS 82 OK 26 65 - 40 - 3658/1.8=8, 3691/2.9=7...(8) Peak 3670 from cnoeabs.peaks (8.72, 1.06, 25.00 ppm; 5.27 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 82 + HG2 LYS 82 OK 100 100 - 100 - 5.1=100 Peak 3671 from cnoeabs.peaks (4.70, 1.06, 25.00 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 82 + HG2 LYS 82 OK 100 100 - 100 - 3.9=100 HA ARG 79 + HG2 LYS 82 OK 53 90 - 60 - 3682/1.8=13, 3649/2.9=12...(15) Peak 3672 from cnoeabs.peaks (1.34, 1.06, 25.00 ppm; 3.76 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LYS 82 + HG2 LYS 82 OK 100 100 - 100 - 2.9=100 HB3 LEU 27 + HG2 LYS 82 OK 60 100 - 60 - 3683/1.8=7, 3705/2.9=5...(29) HG LEU 14 - HG2 LYS 82 OK 37 97 - 38 - 2.1/9760=6, 3683/1.8=4...(17) HG2 LYS 39 - HG2 LYS 82 OK 33 100 - 32 - 3.5/3679=5, 3683/1.8=4...(11) HG3 LYS 40 - HG2 LYS 82 OK 30 73 - 41 - 3.0/3696=4, 3.0/3696=4...(21) QB ALA 25 - HG2 LYS 82 OK 18 99 - 18 - 3683/1.8=2, ~10472=2...(8) QB ALA 67 - HG2 LYS 82 OK 15 98 - 16 - 10783/2.9=3, 3683/1.8=2...(4) QB ALA 89 - HG2 LYS 82 OK 12 99 - 12 - 3683/1.8=1, 3639/3.9=1...(4) HB3 LEU 2 - HG2 LYS 82 OK 11 92 - 12 - 3683/1.8=2, 3661/2.9=1 HG3 LYS 68 - HG2 LYS 82 OK 10 98 - 11 - 3683/1.8=1, 3661/2.9=1 HG2 LYS 94 - HG2 LYS 82 lone 8 99 - 8 - Peak 3673 from cnoeabs.peaks (1.76, 1.06, 25.00 ppm; 3.86 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 82 + HG2 LYS 82 OK 100 100 - 100 - 2.9=100 HB ILE 56 + HG2 LYS 82 OK 50 100 - 51 - 3651/2.9=7, 3684/1.8=7...(21) HG3 ARG 19 - HG2 LYS 82 OK 44 99 - 45 - 3684/1.8=7, 3651/2.9=5...(16) HB VAL 78 - HG2 LYS 82 OK 20 73 - 28 - 2.1/9761=4, 3651/2.9=3...(13) HB2 LYS 66 - HG2 LYS 82 OK 20 100 - 20 - 3684/1.8=3, 3651/2.9=3...(9) HB3 GLU 63 - HG2 LYS 82 OK 19 81 - 24 - 3684/1.8=3, 3651/2.9=2...(13) Peak 3674 from cnoeabs.peaks (1.06, 1.06, 25.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 82 + HG2 LYS 82 OK 100 100 - 100 Peak 3675 from cnoeabs.peaks (1.14, 1.06, 25.00 ppm; 2.79 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 82 + HG2 LYS 82 OK 100 100 - 100 - 1.8=100 HB3 LEU 3 - HG2 LYS 82 OK 35 87 - 40 - 3708/2.9=5, 3653/2.9=4...(17) QG2 THR 31 - HG2 LYS 82 OK 16 100 - 16 - 3653/2.9=3, 3664/2.9=3...(8) Peak 3676 from cnoeabs.peaks (1.46, 1.06, 25.00 ppm; 4.23 A): 4 out of 14 assignments used, quality = 1.00: * HD2 LYS 82 + HG2 LYS 82 OK 100 100 - 100 - 2.9=100 HD2 LYS 40 + HG2 LYS 82 OK 67 99 - 68 - 3696=8, 3697/1.8=7...(29) HD3 LYS 40 + HG2 LYS 82 OK 66 98 - 67 - 3696=7, 1.8/3696=7...(28) HB2 LEU 27 + HG2 LYS 82 OK 64 100 - 65 - 1.8/3672=8, 10482/1.8=7...(28) HG3 ARG 91 - HG2 LYS 82 OK 43 97 - 44 - ~3685=4, ~3707=3...(23) HG2 LYS 53 - HG2 LYS 82 OK 39 99 - 39 - 3.9/10935=5, 3.0/3677=3...(18) HD2 LYS 53 - HG2 LYS 82 OK 37 100 - 37 - 1.8/3677=4, 5.3/10935=4...(13) HG LEU 38 - HG2 LYS 82 OK 37 100 - 37 - ~9756=5, ~9758=5...(15) HG3 LYS 53 - HG2 LYS 82 OK 37 94 - 39 - 3.9/10935=5, 3.0/3677=3...(20) HB2 LEU 38 - HG2 LYS 82 OK 34 99 - 34 - ~10942=4, ~9756=4...(14) HG3 LYS 39 - HG2 LYS 82 OK 22 65 - 33 - 3.5/3679=7, 1.8/3672=4...(13) HG13 ILE 52 - HG2 LYS 82 OK 17 100 - 17 - ~9757=2, ~9759=2...(6) HG2 LYS 20 - HG2 LYS 82 lone 6 100 - 6 - HG2 LYS 12 - HG2 LYS 82 lone 2 81 - 3 - Peak 3677 from cnoeabs.peaks (1.57, 1.06, 25.00 ppm; 3.90 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 82 + HG2 LYS 82 OK 100 100 - 100 - 2.9=100 HB2 LEU 3 + HG2 LYS 82 OK 55 84 - 66 - 1.8/3675=11, 3688/1.8=8...(27) HD3 LYS 53 - HG2 LYS 82 OK 26 81 - 32 - 3688/1.8=4, 5.3/10935=3...(16) HG2 ARG 19 - HG2 LYS 82 OK 24 61 - 40 - 1.8/3673=7, ~3684=5...(15) HG LEU 103 - HG2 LYS 82 OK 22 73 - 30 - ~9756=4, ~9758=4...(13) HB2 LEU 103 - HG2 LYS 82 OK 15 61 - 25 - ~9756=3, ~9758=3...(12) HB3 GLU 28 - HG2 LYS 82 OK 15 100 - 15 - 3688/1.8=2, 3655/2.9=2...(8) HG3 LYS 90 - HG2 LYS 82 lone 2 65 - 3 - HG2 LYS 33 - HG2 LYS 82 lone 2 65 - 3 - Peak 3678 from cnoeabs.peaks (2.74, 1.06, 25.00 ppm; 4.30 A): 3 out of 4 assignments used, quality = 1.00: * HE2 LYS 82 + HG2 LYS 82 OK 100 100 - 100 - 3.9=100 HB3 ASP 61 + HG2 LYS 82 OK 49 98 - 51 - 3711/2.9=10, 3689/1.8=9...(13) HB2 ASN 26 + HG2 LYS 82 OK 48 100 - 48 - 3689/1.8=9, 3711/2.9=8...(12) HB3 ASN 10 - HG2 LYS 82 lone 5 77 - 5 - Peak 3679 from cnoeabs.peaks (2.85, 1.06, 25.00 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 82 + HG2 LYS 82 OK 100 100 - 100 - 3.9=100 HE2 LYS 39 - HG2 LYS 82 OK 40 73 - 54 - 3690/1.8=11, 3668/2.9=10...(14) Peak 3680 from cnoeabs.peaks (9.11, 1.06, 25.00 ppm; 4.24 A): 2 out of 2 assignments used, quality = 0.95: * H VAL 83 + HG2 LYS 82 OK 94 100 - 94 - 7346=35, 3691/1.8=31...(18) H ARG 30 + HG2 LYS 82 OK 21 65 - 32 - 3691/1.8=7, 3658/2.9=6...(8) Peak 3681 from cnoeabs.peaks (8.72, 1.14, 25.00 ppm; 5.43 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 82 + HG3 LYS 82 OK 100 100 - 100 - 5.1=100 Peak 3682 from cnoeabs.peaks (4.70, 1.14, 25.00 ppm; 4.29 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 82 + HG3 LYS 82 OK 100 100 - 100 - 3.9=100 HA ARG 79 + HG3 LYS 82 OK 53 90 - 60 - 3671/1.8=14, 3649/2.9=12...(13) Peak 3683 from cnoeabs.peaks (1.34, 1.14, 25.00 ppm; 3.34 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LYS 82 + HG3 LYS 82 OK 100 100 - 100 - 2.9=100 HB3 LEU 27 + HG3 LYS 82 OK 49 100 - 49 - 3.1/10133=6, 3.1/9762=6...(24) HG LEU 14 - HG3 LYS 82 OK 31 97 - 32 - 2.1/9763=4, ~9760=3...(15) HG2 LYS 39 - HG3 LYS 82 OK 26 100 - 26 - 3.5/3690=4, 3672/1.8=3...(10) HG3 LYS 40 - HG3 LYS 82 OK 25 73 - 34 - 3.0/3697=4, 3.0/3697=4...(13) QB ALA 25 - HG3 LYS 82 OK 15 99 - 15 - 3672/1.8=2, ~10472=1...(6) QB ALA 67 - HG3 LYS 82 OK 12 98 - 13 - 10783/2.9=3, 3672/1.8=1 HB3 LEU 2 - HG3 LYS 82 OK 11 92 - 12 - 4.6/6026=2, 3672/1.8=1 QB ALA 89 - HG3 LYS 82 lone 10 99 - 10 - 3672/1.8=1 HG3 LYS 68 - HG3 LYS 82 lone 8 98 - 8 - HG2 LYS 94 - HG3 LYS 82 lone 6 99 - 6 - Peak 3684 from cnoeabs.peaks (1.76, 1.14, 25.00 ppm; 3.83 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 82 + HG3 LYS 82 OK 100 100 - 100 - 2.9=100 HB ILE 56 + HG3 LYS 82 OK 49 100 - 49 - 3673/1.8=7, 3651/2.9=7...(20) HG3 ARG 19 + HG3 LYS 82 OK 46 99 - 47 - 3673/1.8=6, 3651/2.9=5...(17) HB2 LYS 66 - HG3 LYS 82 OK 20 100 - 20 - 3673/1.8=3, 3651/2.9=3...(9) HB3 GLU 63 - HG3 LYS 82 OK 20 81 - 25 - 4.6/10929=3, 3673/1.8=3...(12) HB VAL 78 - HG3 LYS 82 OK 19 73 - 25 - 3651/2.9=3, 3640/3.9=3...(13) Peak 3685 from cnoeabs.peaks (1.06, 1.14, 25.00 ppm; 2.81 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 82 + HG3 LYS 82 OK 100 100 - 100 - 1.8=100 HB3 ARG 81 + HG3 LYS 82 OK 45 99 - 46 - 4.3/7335=6, 3663/2.9=6...(19) HG2 ARG 91 - HG3 LYS 82 OK 17 77 - 21 - 3707/2.9=2, 3652/2.9=2...(11) Peak 3686 from cnoeabs.peaks (1.14, 1.14, 25.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 82 + HG3 LYS 82 OK 100 100 - 100 Peak 3687 from cnoeabs.peaks (1.46, 1.14, 25.00 ppm; 3.56 A): 4 out of 14 assignments used, quality = 1.00: * HD2 LYS 82 + HG3 LYS 82 OK 100 100 - 100 - 2.9=100 HD2 LYS 40 + HG3 LYS 82 OK 55 99 - 55 - 3697=7, 1.8/3697=5...(19) HD3 LYS 40 + HG3 LYS 82 OK 54 98 - 55 - 3697=7, 1.8/3697=6...(20) HB2 LEU 27 + HG3 LYS 82 OK 53 100 - 53 - 3.1/9762=7, 3.1/10133=7...(26) HG3 ARG 91 - HG3 LYS 82 OK 32 97 - 33 - 1.8/3685=5, 4057/1.8=4...(16) HG2 LYS 53 - HG3 LYS 82 OK 30 99 - 30 - 3.9/10937=3, 3.0/3688=3...(12) HD2 LYS 53 - HG3 LYS 82 OK 29 100 - 29 - 1.8/3688=3, 2444/2.9=3...(11) HG3 LYS 53 - HG3 LYS 82 OK 28 94 - 29 - 3.9/10937=3, 3.0/3688=3...(13) HG LEU 38 - HG3 LYS 82 OK 26 100 - 26 - ~9756=4, ~9758=3...(10) HB2 LEU 38 - HG3 LYS 82 OK 24 99 - 24 - ~10942=3, ~9756=2...(10) HG3 LYS 39 - HG3 LYS 82 OK 16 65 - 25 - 3.5/3690=4, 1.8/3683=4...(9) HG13 ILE 52 - HG3 LYS 82 OK 13 100 - 13 - 3.2/9762=2, ~9757=1, ~9759=1 HG2 LYS 20 - HG3 LYS 82 lone 4 100 - 4 - HG2 LYS 12 - HG3 LYS 82 lone 2 81 - 3 - Peak 3688 from cnoeabs.peaks (1.57, 1.14, 25.00 ppm; 3.81 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 82 + HG3 LYS 82 OK 100 100 - 100 - 2.9=100 HB2 LEU 3 + HG3 LYS 82 OK 57 84 - 68 - 3677/1.8=8, ~3675=7...(31) HD3 LYS 53 - HG3 LYS 82 OK 26 81 - 32 - 3677/1.8=4, 5.3/10937=3...(14) HG2 ARG 19 - HG3 LYS 82 OK 25 61 - 41 - 1.8/3684=7, ~3673=4...(16) HG LEU 103 - HG3 LYS 82 OK 22 73 - 29 - ~9756=4, ~9758=3...(13) HB3 GLU 28 - HG3 LYS 82 OK 15 100 - 15 - 3677/1.8=2, 3655/2.9=2...(7) HB2 LEU 103 - HG3 LYS 82 OK 15 61 - 24 - ~9756=3, ~9758=2...(12) HG2 LYS 33 - HG3 LYS 82 lone 2 65 - 3 - HG3 LYS 90 - HG3 LYS 82 lone 2 65 - 3 - Peak 3689 from cnoeabs.peaks (2.74, 1.14, 25.00 ppm; 4.32 A): 3 out of 4 assignments used, quality = 1.00: * HE2 LYS 82 + HG3 LYS 82 OK 100 100 - 100 - 3.9=100 HB3 ASP 61 + HG3 LYS 82 OK 50 98 - 51 - 3711/2.9=10, 3678/1.8=9...(13) HB2 ASN 26 + HG3 LYS 82 OK 47 100 - 47 - 3678/1.8=9, 3711/2.9=8...(12) HB3 ASN 10 - HG3 LYS 82 lone 5 77 - 6 - Peak 3690 from cnoeabs.peaks (2.85, 1.14, 25.00 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 82 + HG3 LYS 82 OK 100 100 - 100 - 3.9=100 HE2 LYS 39 - HG3 LYS 82 OK 40 73 - 54 - 3679/1.8=12, 3668/2.9=10...(14) Peak 3691 from cnoeabs.peaks (9.11, 1.14, 25.00 ppm; 4.24 A): 2 out of 2 assignments used, quality = 0.95: * H VAL 83 + HG3 LYS 82 OK 93 100 - 93 - 7347=35, 7346/1.8=32...(17) H ARG 30 + HG3 LYS 82 OK 22 65 - 34 - 3680/1.8=7, 3658/2.9=6...(9) Peak 3692 from cnoeabs.peaks (8.72, 1.46, 28.90 ppm; 6.06 A): 3 out of 3 assignments used, quality = 1.00: * H LYS 82 + HD2 LYS 82 OK 100 100 - 100 - 5.8=100 H LYS 82 + HD2 LYS 40 OK 52 92 - 57 - 3.0/3693=8, 4.0/3695=6...(17) H LYS 82 + HD3 LYS 40 OK 48 87 - 56 - 3.0/3693=8, ~3693=6...(15) Peak 3693 from cnoeabs.peaks (4.70, 1.46, 28.90 ppm; 4.94 A): 4 out of 6 assignments used, quality = 1.00: * HA LYS 82 + HD2 LYS 82 OK 100 100 - 100 - 5.1=92, 3704/1.8=26...(24) HA ARG 79 + HD2 LYS 82 OK 60 90 - 68 - 3704/1.8=15, 3671/2.9=14...(12) HA LYS 82 + HD2 LYS 40 OK 51 92 - 56 - 3.0/3692=6, 3.0/3695=6...(23) HA LYS 82 + HD3 LYS 40 OK 48 87 - 55 - 3.0/3692=6, 3.0/3695=5...(23) HA ARG 79 - HD2 LYS 40 poor 9 78 - 12 - 3726/3701=1 HA ARG 79 - HD3 LYS 40 poor 8 72 - 11 - Peak 3694 from cnoeabs.peaks (1.34, 1.46, 28.90 ppm; 2.94 A): 3 out of 33 assignments used, quality = 0.97: * HB2 LYS 82 + HD2 LYS 82 OK 80 100 - 80 - 3.5=57, 3655/1.8=12...(14) HG3 LYS 40 + HD2 LYS 40 OK 61 62 - 99 - 3.0=98, 1824/1.8=5...(10) HG3 LYS 40 + HD3 LYS 40 OK 56 57 - 99 - 3.0=98, 1824/1.8=5...(10) HB3 LEU 27 - HD2 LYS 82 OK 44 100 - 45 - 1198=7, 3705/1.8=4...(21) HB2 LYS 82 - HD2 LYS 40 OK 31 92 - 34 - 2.9/3697=3, 3654=3...(17) HB2 LYS 82 - HD3 LYS 40 OK 29 87 - 34 - 2.9/3697=3, 3654=3...(17) HB3 LEU 27 - HD2 LYS 40 OK 28 92 - 31 - 1198=5, 1198/1.8=3...(9) HB3 LEU 27 - HD3 LYS 40 OK 27 87 - 31 - 1198=5, 1198/1.8=3...(9) HG2 LYS 39 - HD2 LYS 82 OK 20 100 - 20 - 3705/1.8=2, 3683/2.9=2...(7) HG3 LYS 40 - HD2 LYS 82 OK 18 73 - 25 - 3705/1.8=2, 1.8/1812=2...(11) HG LEU 14 - HD2 LYS 82 OK 17 97 - 18 - 3683/2.9=2, 3705/1.8=2...(8) HG2 LYS 39 - HD2 LYS 40 OK 16 91 - 18 - 1712/6.2=2, 1811/3.0=1 HG2 LYS 39 - HD3 LYS 40 OK 15 86 - 18 - 1712/6.2=2, 1811/3.0=1 HG3 LYS 68 - HD2 LYS 40 OK 15 88 - 17 - 1811/3.0=1, ~1819=1...(5) HG3 LYS 68 - HD3 LYS 40 OK 14 83 - 17 - 1811/3.0=1, ~1819=1...(5) QB ALA 25 - HD2 LYS 82 OK 13 99 - 13 - 3.6/8617=2, ~10472=1...(6) QB ALA 67 - HD2 LYS 82 lone 8 98 - 8 - 10783/3.5=2 HB3 LEU 2 - HD2 LYS 82 lone 7 92 - 7 - HG3 LYS 68 - HD2 LYS 82 lone 6 98 - 6 - QB ALA 89 - HD2 LYS 82 lone 6 99 - 6 - HG2 LYS 94 - HD2 LYS 82 lone 5 99 - 5 - QB ALA 67 - HD2 LYS 40 lone 4 88 - 5 - HB3 LEU 2 - HD2 LYS 40 lone 4 80 - 5 - HG LEU 14 - HD2 LYS 40 lone 4 86 - 5 - QB ALA 25 - HD2 LYS 40 lone 4 90 - 4 - 3.6/8617=1 QB ALA 67 - HD3 LYS 40 lone 4 83 - 5 - HB3 LEU 2 - HD3 LYS 40 lone 4 75 - 5 - HG LEU 14 - HD3 LYS 40 lone 4 81 - 5 - QB ALA 25 - HD3 LYS 40 lone 4 85 - 4 - 3.6/8617=1 HG2 LYS 94 - HD2 LYS 40 lone 3 90 - 3 - HG2 LYS 94 - HD3 LYS 40 lone 3 85 - 3 - QB ALA 89 - HD2 LYS 40 lone 1 90 - 2 - QB ALA 89 - HD3 LYS 40 lone 1 85 - 1 - Peak 3695 from cnoeabs.peaks (1.76, 1.46, 28.90 ppm; 4.01 A): 3 out of 18 assignments used, quality = 1.00: * HB3 LYS 82 + HD2 LYS 82 OK 100 100 - 100 - 3.5=100 HB3 LYS 82 + HD2 LYS 40 OK 52 92 - 57 - 3665=6, 2.9/3697=5...(26) HB3 LYS 82 + HD3 LYS 40 OK 49 87 - 56 - 3665=6, 3665/1.8=5...(26) HG3 ARG 19 - HD2 LYS 82 OK 42 99 - 42 - 3684/2.9=6, 3673/2.9=5...(16) HB ILE 56 - HD2 LYS 82 OK 37 100 - 37 - 3651/3.5=7, 3673/2.9=6...(9) HB2 LYS 66 - HD2 LYS 82 OK 19 100 - 18 - 3684/2.9=3, 3673/2.9=3...(8) HB VAL 78 - HD2 LYS 82 OK 17 73 - 23 - 3651/3.5=3, 3673/2.9=2...(11) HB3 GLU 63 - HD2 LYS 82 OK 15 81 - 19 - 3706/1.8=3, 3684/2.9=2...(7) HB ILE 56 - HD2 LYS 40 lone 8 92 - 8 - ~9326=1 HB ILE 56 - HD3 LYS 40 lone 7 87 - 8 - ~9326=1 HG3 ARG 19 - HD2 LYS 40 lone 5 90 - 5 - HG3 ARG 19 - HD3 LYS 40 lone 4 85 - 5 - HB2 LYS 66 - HD2 LYS 40 lone 3 91 - 3 - HB2 LYS 66 - HD3 LYS 40 lone 3 86 - 3 - HB VAL 78 - HD2 LYS 40 lone 2 62 - 4 - HB3 GLU 63 - HD2 LYS 40 lone 2 69 - 3 - HB VAL 78 - HD3 LYS 40 lone 2 57 - 4 - HB3 GLU 63 - HD3 LYS 40 lone 2 64 - 3 - Peak 3696 from cnoeabs.peaks (1.06, 1.46, 28.90 ppm; 3.81 A): 4 out of 9 assignments used, quality = 1.00: * HG2 LYS 82 + HD2 LYS 82 OK 100 100 - 100 - 2.9=100 HB3 ARG 81 + HD2 LYS 82 OK 67 99 - 68 - 3707/1.8=13, 3685/2.9=11...(18) HG2 LYS 82 + HD2 LYS 40 OK 53 92 - 58 - 1.8/3697=6, 2.9/3709=4...(21) HG2 LYS 82 + HD3 LYS 40 OK 50 87 - 58 - 1.8/3697=6, 2.9/3709=4...(21) HG2 ARG 91 - HD2 LYS 82 OK 32 77 - 41 - 3707/1.8=6, 3685/2.9=4...(21) HG2 ARG 91 - HD2 LYS 40 OK 11 65 - 17 - HG2 ARG 91 - HD3 LYS 40 OK 10 61 - 17 - HB3 ARG 81 - HD2 LYS 40 lone 8 89 - 9 - 4.3/3692=3 HB3 ARG 81 - HD3 LYS 40 lone 7 84 - 9 - 4.3/3692=3 Peak 3697 from cnoeabs.peaks (1.14, 1.46, 28.90 ppm; 3.27 A): 2 out of 9 assignments used, quality = 1.00: * HG3 LYS 82 + HD2 LYS 82 OK 100 100 - 100 - 2.9=100 HB3 LEU 3 + HD2 LYS 82 OK 48 87 - 56 - 3708/1.8=9, 3675/2.9=7...(25) HG3 LYS 82 - HD2 LYS 40 OK 43 92 - 47 - 3687=5, 1.8/3696=4...(19) HG3 LYS 82 - HD3 LYS 40 OK 40 87 - 46 - 3687=4, 1.8/3696=4...(19) QG2 THR 31 - HD2 LYS 82 OK 22 100 - 22 - 3708/1.8=4, 3675/2.9=3...(8) HB3 LEU 3 - HD2 LYS 40 OK 22 75 - 29 - 1.8/3699=2, ~103=2...(16) HB3 LEU 3 - HD3 LYS 40 OK 20 70 - 29 - 1.8/3699=2, ~103=2...(17) QG2 THR 31 - HD2 LYS 40 lone 3 91 - 4 - QG2 THR 31 - HD3 LYS 40 lone 3 86 - 4 - Peak 3698 from cnoeabs.peaks (1.46, 1.46, 28.90 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD2 LYS 82 + HD2 LYS 82 OK 100 100 - 100 HD2 LYS 40 + HD2 LYS 40 OK 89 89 - 100 HD3 LYS 40 + HD3 LYS 40 OK 83 83 - 100 Peak 3699 from cnoeabs.peaks (1.57, 1.46, 28.90 ppm; 2.64 A): 1 out of 27 assignments used, quality = 1.00: * HD3 LYS 82 + HD2 LYS 82 OK 100 100 - 100 - 1.8=100 HD3 LYS 82 - HD2 LYS 40 OK 33 92 - 36 - 3709=5, 3709/1.8=4...(13) HD3 LYS 82 - HD3 LYS 40 OK 31 87 - 36 - 3709=5, 3709/1.8=4...(13) HB2 LEU 3 - HD2 LYS 82 OK 31 84 - 37 - ~3708=4, 1.8/3697=4...(18) HB2 LEU 3 - HD2 LYS 40 OK 16 72 - 22 - 103/3.0=2, 1.8/1832=2...(8) HB2 LEU 3 - HD3 LYS 40 OK 15 67 - 22 - 103/3.0=2, 1.8/1832=2...(8) HD3 LYS 53 - HD2 LYS 82 OK 12 81 - 14 - 3688/2.9=1, 3677/2.9=1...(5) HG2 ARG 19 - HD2 LYS 82 OK 11 61 - 17 - 1.8/3695=2, ~3684=1...(13) HG LEU 103 - HD2 LYS 82 poor 9 73 - 13 - ~10942=2, ~12331=1...(8) HB3 GLU 28 - HD2 LYS 82 lone 8 100 - 8 - HD3 LYS 53 - HD2 LYS 40 lone 7 69 - 10 - HB2 LEU 103 - HD2 LYS 82 poor 6 61 - 10 - ~10942=1, 3.1/10940=1 HD3 LYS 53 - HD3 LYS 40 lone 6 64 - 10 - HB3 GLU 28 - HD2 LYS 40 lone 2 91 - 2 - HB3 GLU 28 - HD3 LYS 40 lone 2 86 - 2 - HG3 LYS 90 - HD2 LYS 82 lone 1 65 - 1 - HG2 LYS 33 - HD2 LYS 82 lone 1 65 - 1 - HG LEU 103 - HD2 LYS 40 lone 1 62 - 1 - HG2 ARG 19 - HD2 LYS 40 lone 1 51 - 1 - HG LEU 103 - HD3 LYS 40 lone 1 57 - 1 - HG2 ARG 19 - HD3 LYS 40 lone 1 47 - 1 - HB2 LEU 103 - HD2 LYS 40 lone 1 51 - 1 - HB2 LEU 103 - HD3 LYS 40 lone 0 47 - 1 - HG2 LYS 33 - HD2 LYS 40 lone 0 55 - 1 - HG3 LYS 90 - HD2 LYS 40 lone 0 55 - 1 - HG2 LYS 33 - HD3 LYS 40 lone 0 50 - 1 - HG3 LYS 90 - HD3 LYS 40 lone 0 50 - 1 - Peak 3700 from cnoeabs.peaks (2.74, 1.46, 28.90 ppm; 3.44 A): 1 out of 12 assignments used, quality = 1.00: * HE2 LYS 82 + HD2 LYS 82 OK 100 100 - 100 - 3.0=100 HE2 LYS 82 - HD2 LYS 40 OK 40 92 - 44 - 1.8/3701=6, 3720=5...(16) HB3 ASP 61 - HD2 LYS 82 OK 39 98 - 40 - 3711/1.8=8, 3678/2.9=5...(13) HE2 LYS 82 - HD3 LYS 40 OK 38 87 - 44 - 1.8/3701=5, 3720=5...(16) HB2 ASN 26 - HD2 LYS 82 OK 37 100 - 37 - 3711/1.8=6, 3678/2.9=5...(13) HB2 ASN 26 - HD2 LYS 40 lone 8 91 - 9 - 3.8/8617=2, 3.0/9766=2 HB2 ASN 26 - HD3 LYS 40 lone 7 86 - 9 - 3.8/8617=2, 3.0/9766=1...(5) HB3 ASP 61 - HD2 LYS 40 lone 5 88 - 6 - HB3 ASP 61 - HD3 LYS 40 lone 5 83 - 6 - HB3 ASN 10 - HD2 LYS 82 lone 3 77 - 4 - HB3 ASN 10 - HD2 LYS 40 lone 1 65 - 2 - HB3 ASN 10 - HD3 LYS 40 lone 1 61 - 2 - Peak 3701 from cnoeabs.peaks (2.85, 1.46, 28.90 ppm; 3.89 A): 2 out of 6 assignments used, quality = 1.00: * HE3 LYS 82 + HD2 LYS 82 OK 100 100 - 100 - 3.0=100 HE3 LYS 82 + HD2 LYS 40 OK 47 92 - 52 - 1.8/3700=6, 3731=6...(17) HE3 LYS 82 - HD3 LYS 40 OK 44 87 - 51 - 3731=6, 1.8/3700=6...(17) HE2 LYS 39 - HD2 LYS 82 OK 28 73 - 38 - 3712/1.8=8, 3668/3.5=6...(8) HE2 LYS 39 - HD2 LYS 40 OK 11 62 - 17 - ~1819=1, ~1808=1...(5) HE2 LYS 39 - HD3 LYS 40 poor 10 57 - 17 - ~1819=1, ~1808=1...(4) Peak 3702 from cnoeabs.peaks (9.11, 1.46, 28.90 ppm; 5.93 A): 1 out of 6 assignments used, quality = 0.98: * H VAL 83 + HD2 LYS 82 OK 98 100 - 98 - 3680/2.9=39, 3691/2.9=38...(16) H VAL 83 - HD2 LYS 40 OK 40 92 - 44 - 3.6/3693=7, 4.5/3692=7...(13) H VAL 83 - HD3 LYS 40 OK 37 87 - 43 - 3.6/3693=7, 4.5/3692=7...(13) H ARG 30 - HD2 LYS 82 OK 32 65 - 49 - 3713/1.8=10, 3691/2.9=9...(9) H ARG 30 - HD2 LYS 40 OK 12 55 - 21 - 4.6/10941=4, 6477/3.0=3...(6) H ARG 30 - HD3 LYS 40 OK 10 50 - 20 - 4.6/10941=4, 6477/3.0=3...(6) Peak 3703 from cnoeabs.peaks (8.72, 1.57, 28.90 ppm; 5.69 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 82 + HD3 LYS 82 OK 100 100 - 100 - 5.8=93, 3659/3.5=46...(20) Peak 3704 from cnoeabs.peaks (4.70, 1.57, 28.90 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 82 + HD3 LYS 82 OK 99 100 - 99 - 5.1=86, 3.0/3703=26...(24) HA ARG 79 + HD3 LYS 82 OK 57 90 - 64 - 3671/2.9=13, 3682/2.9=13...(10) Peak 3705 from cnoeabs.peaks (1.34, 1.57, 28.90 ppm; 3.60 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LYS 82 + HD3 LYS 82 OK 100 100 - 100 - 3.5=100 HB3 LEU 27 + HD3 LYS 82 OK 55 100 - 55 - 3.1/10132=7, 1198/1.8=7...(25) HG2 LYS 39 - HD3 LYS 82 OK 30 100 - 30 - 3.5/3712=5, 3683/2.9=3...(11) HG3 LYS 40 - HD3 LYS 82 OK 28 73 - 39 - 3.0/3709=4, 3.0/3709=4...(20) HG LEU 14 - HD3 LYS 82 OK 25 97 - 26 - 2.1/9768=4, 3683/2.9=3...(11) QB ALA 25 - HD3 LYS 82 OK 18 99 - 18 - 2.1/10472=3, 2.9/10933=2...(8) QB ALA 67 - HD3 LYS 82 OK 12 98 - 12 - 10783/3.5=3, 3683/2.9=1...(4) QB ALA 89 - HD3 LYS 82 lone 10 99 - 10 - 3683/2.9=1 HB3 LEU 2 - HD3 LYS 82 poor 10 92 - 10 - 4.6/6025=2, 3683/2.9=1 HG3 LYS 68 - HD3 LYS 82 lone 9 98 - 9 - HG2 LYS 94 - HD3 LYS 82 lone 6 99 - 6 - Peak 3706 from cnoeabs.peaks (1.76, 1.57, 28.90 ppm; 4.92 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 82 + HD3 LYS 82 OK 100 100 - 100 - 3.5=100 HG3 ARG 19 + HD3 LYS 82 OK 52 99 - 52 - 3684/2.9=8, 3673/2.9=7...(16) HB ILE 56 + HD3 LYS 82 OK 47 100 - 47 - 3651/3.5=8, 3673/2.9=8...(10) HB3 GLU 63 - HD3 LYS 82 OK 30 81 - 37 - 4.0/10932=9, 4.6/10933=8...(12) HB2 LYS 66 - HD3 LYS 82 OK 26 100 - 25 - 3684/2.9=3, 3673/2.9=3...(8) HB VAL 78 - HD3 LYS 82 OK 22 73 - 30 - 3640/5.1=4, 3651/3.5=4...(12) Peak 3707 from cnoeabs.peaks (1.06, 1.57, 28.90 ppm; 3.68 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 82 + HD3 LYS 82 OK 100 100 - 100 - 2.9=100 HB3 ARG 81 + HD3 LYS 82 OK 65 99 - 65 - 4.3/3703=11, 3685/2.9=10...(19) HG2 ARG 91 - HD3 LYS 82 OK 27 77 - 35 - 3685/2.9=4, 3696/1.8=3...(18) Peak 3708 from cnoeabs.peaks (1.14, 1.57, 28.90 ppm; 3.52 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 82 + HD3 LYS 82 OK 100 100 - 100 - 2.9=100 HB3 LEU 3 + HD3 LYS 82 OK 54 87 - 62 - 3675/2.9=8, 3719/3.0=6...(29) QG2 THR 31 - HD3 LYS 82 OK 24 100 - 24 - 3675/2.9=4, 3664/3.5=4...(10) Peak 3709 from cnoeabs.peaks (1.46, 1.57, 28.90 ppm; 2.54 A): 1 out of 14 assignments used, quality = 1.00: * HD2 LYS 82 + HD3 LYS 82 OK 100 100 - 100 - 1.8=100 HD2 LYS 40 - HD3 LYS 82 OK 33 99 - 33 - 3699=5, 1.8/3699=3...(10) HD3 LYS 40 - HD3 LYS 82 OK 32 98 - 33 - 3699=5, 1.8/3699=3...(12) HB2 LEU 27 - HD3 LYS 82 OK 28 100 - 28 - 3.1/10132=3, 1.8/3705=3...(16) HG2 LYS 53 - HD3 LYS 82 OK 16 99 - 16 - 2422=2, 1.8/2433=1, 3.0/2444=1 HG3 ARG 91 - HD3 LYS 82 OK 16 97 - 16 - 1.8/3707=2, 4057/2.9=2 HD2 LYS 53 - HD3 LYS 82 OK 15 100 - 15 - 2444=3 HG3 LYS 53 - HD3 LYS 82 OK 14 94 - 15 - 2433=1, 3.0/2444=1 HG LEU 38 - HD3 LYS 82 OK 12 100 - 12 - 2.1/10942=2, ~12331=1, ~10940=1 HB2 LEU 38 - HD3 LYS 82 OK 12 99 - 12 - 3.1/10942=2 HG3 LYS 39 - HD3 LYS 82 poor 9 65 - 13 - 3.5/3712=2, 1.8/3705=2 HG13 ILE 52 - HD3 LYS 82 lone 5 100 - 5 - HG2 LYS 20 - HD3 LYS 82 lone 2 100 - 2 - HG2 LYS 12 - HD3 LYS 82 lone 1 81 - 1 - Peak 3710 from cnoeabs.peaks (1.57, 1.57, 28.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 82 + HD3 LYS 82 OK 100 100 - 100 Peak 3711 from cnoeabs.peaks (2.74, 1.57, 28.90 ppm; 3.81 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 82 + HD3 LYS 82 OK 100 100 - 100 - 3.0=100 HB3 ASP 61 + HD3 LYS 82 OK 56 98 - 57 - 4.0/9443=14, 3.0/9767=7...(16) HB2 ASN 26 - HD3 LYS 82 OK 43 100 - 43 - 3678/2.9=6, 3689/2.9=6...(13) HB3 ASN 10 - HD3 LYS 82 lone 4 77 - 5 - Peak 3712 from cnoeabs.peaks (2.85, 1.57, 28.90 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 82 + HD3 LYS 82 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 - HD3 LYS 82 OK 29 73 - 39 - 3668/3.5=7, 3679/2.9=6...(11) Peak 3713 from cnoeabs.peaks (9.11, 1.57, 28.90 ppm; 5.30 A): 1 out of 2 assignments used, quality = 0.97: * H VAL 83 + HD3 LYS 82 OK 97 100 - 97 - 3680/2.9=35, 3691/2.9=35...(19) H ARG 30 - HD3 LYS 82 OK 28 65 - 42 - 3691/2.9=8, 3680/2.9=8...(10) Peak 3714 from cnoeabs.peaks (8.72, 2.74, 41.51 ppm; 5.94 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 82 + HE2 LYS 82 OK 99 100 - 99 - 7.3=54, 3659/4.8=41...(22) Peak 3715 from cnoeabs.peaks (4.70, 2.74, 41.51 ppm; 5.35 A): 2 out of 2 assignments used, quality = 0.99: * HA LYS 82 + HE2 LYS 82 OK 98 100 - 98 - 6.5=56, 3726/1.8=31...(19) HA ARG 79 + HE2 LYS 82 OK 58 90 - 65 - 3726/1.8=16, 3704/3.0=14...(8) Peak 3716 from cnoeabs.peaks (1.34, 2.74, 41.51 ppm; 4.19 A): 2 out of 11 assignments used, quality = 0.97: * HB2 LYS 82 + HE2 LYS 82 OK 95 100 - 95 - 4.8=66, 3657/1.8=26...(17) HB3 LEU 27 + HE2 LYS 82 OK 51 100 - 52 - 3727/1.8=7, 3705/3.0=6...(18) HG2 LYS 39 - HE2 LYS 82 OK 32 100 - 31 - 3727/1.8=4, 3705/3.0=4...(14) HG3 LYS 40 - HE2 LYS 82 OK 30 73 - 41 - 3.0/3700=5, 3.0/3700=5...(16) QB ALA 25 - HE2 LYS 82 OK 23 99 - 23 - 3.6/6415=5, ~10472=2...(8) HG LEU 14 - HE2 LYS 82 OK 21 97 - 22 - ~9768=4, 3683/3.9=3...(8) QB ALA 67 - HE2 LYS 82 OK 13 98 - 13 - 10783/4.8=2, 3727/1.8=2...(5) HB3 LEU 2 - HE2 LYS 82 poor 9 92 - 10 - 3727/1.8=1, 3705/3.0=1 HG3 LYS 68 - HE2 LYS 82 lone 9 98 - 9 - 3727/1.8=1, 3705/3.0=1 QB ALA 89 - HE2 LYS 82 lone 9 99 - 9 - 3727/1.8=1, 3705/3.0=1...(4) HG2 LYS 94 - HE2 LYS 82 lone 7 99 - 7 - Peak 3717 from cnoeabs.peaks (1.76, 2.74, 41.51 ppm; 4.03 A): 2 out of 6 assignments used, quality = 0.94: * HB3 LYS 82 + HE2 LYS 82 OK 91 100 - 91 - 4.8=59, 3668/1.8=28...(18) HG3 ARG 19 + HE2 LYS 82 OK 32 99 - 33 - 3728/1.8=7, 3684/3.9=5...(9) HB ILE 56 - HE2 LYS 82 OK 29 100 - 29 - 3728/1.8=6, 3673/3.9=5...(8) HB2 LYS 66 - HE2 LYS 82 OK 15 100 - 15 - 3728/1.8=3, 3706/3.0=2...(6) HB VAL 78 - HE2 LYS 82 OK 14 73 - 18 - 3728/1.8=3, 3673/3.9=2...(9) HB3 GLU 63 - HE2 LYS 82 OK 13 81 - 16 - 3706/3.0=2, 3728/1.8=2...(7) Peak 3718 from cnoeabs.peaks (1.06, 2.74, 41.51 ppm; 3.94 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 82 + HE2 LYS 82 OK 100 100 - 100 - 3.9=100 HB3 ARG 81 + HE2 LYS 82 OK 56 99 - 57 - 4.3/3714=12, 3707/3.0=11...(11) HG2 ARG 91 - HE2 LYS 82 OK 21 77 - 27 - 3707/3.0=5, 3729/1.8=4...(9) Peak 3719 from cnoeabs.peaks (1.14, 2.74, 41.51 ppm; 4.02 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 82 + HE2 LYS 82 OK 100 100 - 100 - 3.9=100 HB3 LEU 3 + HE2 LYS 82 OK 48 87 - 55 - 3708/3.0=10, 3730/1.8=8...(18) QG2 THR 31 - HE2 LYS 82 OK 22 100 - 22 - 3708/3.0=5, 3730/1.8=4...(7) Peak 3720 from cnoeabs.peaks (1.46, 2.74, 41.51 ppm; 3.73 A): 3 out of 14 assignments used, quality = 1.00: * HD2 LYS 82 + HE2 LYS 82 OK 100 100 - 100 - 3.0=100 HD2 LYS 40 + HE2 LYS 82 OK 50 99 - 51 - 3700=7, 3701/1.8=7...(17) HD3 LYS 40 + HE2 LYS 82 OK 49 98 - 51 - 3700=7, 3701/1.8=6...(17) HB2 LEU 27 - HE2 LYS 82 OK 42 100 - 43 - 1.8/3716=5, ~3727=4...(18) HG3 ARG 91 - HE2 LYS 82 OK 24 97 - 25 - 1.8/3718=4, ~3729=3...(11) HG LEU 38 - HE2 LYS 82 OK 24 100 - 24 - 2.1/12331=5, ~10942=4...(9) HG2 LYS 53 - HE2 LYS 82 OK 24 99 - 24 - 3.0/3721=2, 3731/1.8=2...(11) HB2 LEU 38 - HE2 LYS 82 OK 23 99 - 23 - 3.1/12331=5, ~10942=3...(8) HG3 LYS 53 - HE2 LYS 82 OK 22 94 - 24 - 3.0/3721=2, 3731/1.8=2...(11) HD2 LYS 53 - HE2 LYS 82 OK 22 100 - 22 - 1.8/3721=3, 2444/3.0=3...(7) HG3 LYS 39 - HE2 LYS 82 OK 15 65 - 23 - 1.8/3716=3, 3.5/3723=3...(8) HG13 ILE 52 - HE2 LYS 82 lone 8 100 - 8 - HG2 LYS 20 - HE2 LYS 82 lone 3 100 - 3 - HG2 LYS 12 - HE2 LYS 82 lone 2 81 - 2 - Peak 3721 from cnoeabs.peaks (1.57, 2.74, 41.51 ppm; 3.65 A): 1 out of 9 assignments used, quality = 1.00: * HD3 LYS 82 + HE2 LYS 82 OK 100 100 - 100 - 3.0=100 HB2 LEU 3 - HE2 LYS 82 OK 42 84 - 50 - 1.8/3719=9, 3732/1.8=7...(19) HD3 LYS 53 - HE2 LYS 82 OK 18 81 - 22 - 3732/1.8=3, 3688/3.9=2...(12) HG LEU 103 - HE2 LYS 82 OK 16 73 - 21 - 2.1/12331=4, ~10942=3...(9) HG2 ARG 19 - HE2 LYS 82 OK 16 61 - 26 - 1.8/3717=5, ~3728=4...(11) HB3 GLU 28 - HE2 LYS 82 OK 11 100 - 11 - 3732/1.8=2, ~1238=1...(5) HB2 LEU 103 - HE2 LYS 82 OK 11 61 - 18 - 3.1/12331=4, ~10942=2...(7) HG3 LYS 90 - HE2 LYS 82 lone 1 65 - 2 - HG2 LYS 33 - HE2 LYS 82 lone 1 65 - 2 - Peak 3722 from cnoeabs.peaks (2.74, 2.74, 41.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 82 + HE2 LYS 82 OK 100 100 - 100 Peak 3723 from cnoeabs.peaks (2.85, 2.74, 41.51 ppm; 2.55 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 82 + HE2 LYS 82 OK 100 100 - 100 - 1.8=100 HE2 LYS 39 - HE2 LYS 82 poor 10 73 - 13 - 3712/3.0=2, 3679/3.9=2...(6) Peak 3726 from cnoeabs.peaks (4.70, 2.85, 41.51 ppm; 4.69 A): 2 out of 2 assignments used, quality = 0.96: * HA LYS 82 + HE3 LYS 82 OK 93 100 - 93 - 6.5=38, 3.0/3668=28...(17) HA ARG 79 + HE3 LYS 82 OK 49 90 - 55 - 3715/1.8=12, 3704/3.0=11...(8) Peak 3727 from cnoeabs.peaks (1.34, 2.85, 41.51 ppm; 3.71 A): 3 out of 11 assignments used, quality = 0.93: * HB2 LYS 82 + HE3 LYS 82 OK 84 100 - 84 - 4.8=46, 1.8/3668=24...(13) HB3 LEU 27 + HE3 LYS 82 OK 39 100 - 39 - 3705/3.0=5, 1198/3.0=5...(16) HG3 LYS 40 + HE3 LYS 82 OK 25 73 - 34 - 3.0/3701=5, 3.0/3701=5...(16) HG2 LYS 39 - HE3 LYS 82 OK 23 100 - 23 - 3716/1.8=3, 3705/3.0=3...(8) HG LEU 14 - HE3 LYS 82 OK 16 97 - 16 - ~9768=3, 3683/3.9=3...(8) QB ALA 25 - HE3 LYS 82 OK 12 99 - 12 - 3716/1.8=2, ~10472=2...(6) QB ALA 67 - HE3 LYS 82 lone 9 98 - 9 - 10783/4.8=2, 3716/1.8=1...(5) HG3 LYS 68 - HE3 LYS 82 lone 7 98 - 7 - HB3 LEU 2 - HE3 LYS 82 lone 6 92 - 7 - QB ALA 89 - HE3 LYS 82 lone 6 99 - 6 - HG2 LYS 94 - HE3 LYS 82 lone 4 99 - 4 - Peak 3728 from cnoeabs.peaks (1.76, 2.85, 41.51 ppm; 3.71 A): 4 out of 6 assignments used, quality = 0.91: * HB3 LYS 82 + HE3 LYS 82 OK 81 100 - 81 - 4.8=46, 1.8/3657=20...(15) HG3 ARG 19 + HE3 LYS 82 OK 28 99 - 28 - 3717/1.8=5, 3684/3.9=4...(9) HB ILE 56 + HE3 LYS 82 OK 24 100 - 25 - 3717/1.8=5, 3673/3.9=4...(8) HB2 LYS 66 + HE3 LYS 82 OK 12 100 - 12 - 3717/1.8=3, 3684/3.9=2...(6) HB VAL 78 - HE3 LYS 82 poor 10 73 - 14 - 3717/1.8=2, 3673/3.9=2...(8) HB3 GLU 63 - HE3 LYS 82 poor 9 81 - 12 - 3717/1.8=2, 3706/3.0=2...(6) Peak 3729 from cnoeabs.peaks (1.06, 2.85, 41.51 ppm; 4.62 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 82 + HE3 LYS 82 OK 100 100 - 100 - 3.9=100 HB3 ARG 81 + HE3 LYS 82 OK 62 99 - 63 - 3718/1.8=15, 3707/3.0=14...(11) HG2 ARG 91 - HE3 LYS 82 OK 27 77 - 34 - 3707/3.0=6, 3718/1.8=6...(12) Peak 3730 from cnoeabs.peaks (1.14, 2.85, 41.51 ppm; 4.84 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 82 + HE3 LYS 82 OK 100 100 - 100 - 3.9=100 HB3 LEU 3 + HE3 LYS 82 OK 58 87 - 67 - 3719/1.8=13, 3708/3.0=13...(18) QG2 THR 31 - HE3 LYS 82 OK 30 100 - 29 - 3719/1.8=6, 3708/3.0=6...(7) Peak 3731 from cnoeabs.peaks (1.46, 2.85, 41.51 ppm; 3.15 A): 1 out of 14 assignments used, quality = 1.00: * HD2 LYS 82 + HE3 LYS 82 OK 100 100 - 100 - 3.0=100 HD2 LYS 40 - HE3 LYS 82 OK 37 99 - 38 - 3701=5, 1.8/3701=4...(14) HD3 LYS 40 - HE3 LYS 82 OK 37 98 - 38 - 3701=5, 1.8/3701=5...(14) HB2 LEU 27 - HE3 LYS 82 OK 28 100 - 29 - 1.8/3727=4, 3709/3.0=3...(13) HG2 LYS 53 - HE3 LYS 82 OK 17 99 - 17 - 3.0/3732=2, 3709/3.0=2...(5) HG3 ARG 91 - HE3 LYS 82 OK 17 97 - 17 - 1.8/3729=2, ~3718=2...(8) HG LEU 38 - HE3 LYS 82 OK 16 100 - 16 - ~12331=3, ~10942=2...(5) HD2 LYS 53 - HE3 LYS 82 OK 16 100 - 15 - 2444/3.0=2, 1.8/3732=2...(5) HG3 LYS 53 - HE3 LYS 82 OK 15 94 - 16 - 3.0/3732=2, 3709/3.0=1...(5) HB2 LEU 38 - HE3 LYS 82 OK 14 99 - 14 - ~12331=2, ~10942=2...(5) HG3 LYS 39 - HE3 LYS 82 poor 9 65 - 14 - 1.8/3727=3, ~3716=2...(4) HG13 ILE 52 - HE3 LYS 82 lone 5 100 - 5 - HG2 LYS 20 - HE3 LYS 82 lone 2 100 - 2 - HG2 LYS 12 - HE3 LYS 82 lone 1 81 - 1 - Peak 3732 from cnoeabs.peaks (1.57, 2.85, 41.51 ppm; 3.65 A): 1 out of 9 assignments used, quality = 1.00: * HD3 LYS 82 + HE3 LYS 82 OK 100 100 - 100 - 3.0=100 HB2 LEU 3 - HE3 LYS 82 OK 41 84 - 49 - 3721/1.8=7, 1.8/3730=7...(19) HD3 LYS 53 - HE3 LYS 82 OK 18 81 - 23 - 3721/1.8=3, 1.8/3731=2...(12) HG2 ARG 19 - HE3 LYS 82 OK 16 61 - 26 - 1.8/3728=6, ~3717=4...(11) HG LEU 103 - HE3 LYS 82 OK 16 73 - 21 - ~12331=4, ~10942=3...(9) HB3 GLU 28 - HE3 LYS 82 OK 11 100 - 11 - 3721/1.8=2, ~1238=1...(5) HB2 LEU 103 - HE3 LYS 82 OK 11 61 - 17 - ~12331=3, ~10942=2...(7) HG3 LYS 90 - HE3 LYS 82 lone 1 65 - 2 - HG2 LYS 33 - HE3 LYS 82 lone 1 65 - 2 - Peak 3733 from cnoeabs.peaks (2.74, 2.85, 41.51 ppm; 2.52 A): 1 out of 4 assignments used, quality = 1.00: * HE2 LYS 82 + HE3 LYS 82 OK 100 100 - 100 - 1.8=100 HB3 ASP 61 - HE3 LYS 82 OK 17 98 - 18 - 3711/3.0=3, 3678/3.9=2...(10) HB2 ASN 26 - HE3 LYS 82 OK 16 100 - 16 - 3711/3.0=2, 3678/3.9=2...(9) HB3 ASN 10 - HE3 LYS 82 lone 2 77 - 2 - Peak 3734 from cnoeabs.peaks (2.85, 2.85, 41.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 82 + HE3 LYS 82 OK 100 100 - 100 Peak 3736 from cnoeabs.peaks (9.11, 4.80, 59.41 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 83 + HA VAL 83 OK 100 100 - 100 - 3.0=100 H ARG 30 - HA VAL 83 OK 11 65 - 17 - 3754/3.2=3, 3748/3.2=3...(6) Peak 3737 from cnoeabs.peaks (4.80, 4.80, 59.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 83 + HA VAL 83 OK 100 100 - 100 Peak 3738 from cnoeabs.peaks (2.11, 4.80, 59.41 ppm; 4.35 A): 2 out of 11 assignments used, quality = 1.00: * HB VAL 83 + HA VAL 83 OK 100 100 - 100 - 3.0=100 HB2 LEU 64 + HA VAL 83 OK 50 100 - 51 - 10760/3.2=8, ~10761=7...(15) HB3 PRO 86 - HA VAL 83 OK 33 96 - 35 - ~9823=7, 3756/3.2=4...(12) HB2 PRO 86 - HA VAL 83 OK 33 97 - 34 - ~9823=7, 3756/3.2=4...(12) HG3 GLU 104 - HA VAL 83 OK 14 77 - 19 - 3.0/12222=4, ~9816=2...(9) HG3 GLU 37 - HA VAL 83 OK 11 100 - 11 - 7360/3.6=1, 7353/3.0=1...(5) HB3 GLU 37 - HA VAL 83 lone 8 84 - 9 - QE MET 21 - HA VAL 83 lone 7 81 - 8 - 7360/3.6=2, 3750/3.2=1 HB2 GLU 69 - HA VAL 83 lone 3 81 - 4 - HB3 GLU 69 - HA VAL 83 lone 3 81 - 4 - HG2 GLU 69 - HA VAL 83 lone 2 81 - 3 - Peak 3739 from cnoeabs.peaks (0.96, 4.80, 59.41 ppm; 6.50 A): 2 out of 4 assignments used, quality = 1.00: * QG2 VAL 83 + HA VAL 83 OK 100 100 - 100 - 3.2=100 HG LEU 55 + HA VAL 83 OK 82 100 - 82 - 2536/3.6=15, 3.0/3740=15...(17) QG2 THR 80 - HA VAL 83 OK 32 70 - 47 - 10914/3.6=10, ~9826=9...(14) QG2 VAL 5 - HA VAL 83 OK 24 70 - 34 - ~8166=7, ~8165=7...(11) Peak 3740 from cnoeabs.peaks (1.01, 4.80, 59.41 ppm; 5.56 A): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 83 + HA VAL 83 OK 100 100 - 100 - 3.2=100 HB3 LEU 55 + HA VAL 83 OK 53 70 - 76 - 3746/3.0=11, 7362/3.6=10...(18) Peak 3741 from cnoeabs.peaks (9.20, 4.80, 59.41 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * H THR 84 + HA VAL 83 OK 100 100 - 100 - 3.6=100 H ILE 56 - HA VAL 83 OK 33 87 - 38 - 3753/3.2=11, 3759/3.2=9...(6) Peak 3742 from cnoeabs.peaks (9.11, 2.11, 35.30 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 83 + HB VAL 83 OK 100 100 - 100 - 4.0=100 H ARG 30 - HB VAL 83 poor 8 65 - 12 - 3754/2.1=3, 3748/2.1=3...(4) Peak 3743 from cnoeabs.peaks (4.80, 2.11, 35.30 ppm; 3.40 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 83 + HB VAL 83 OK 100 100 - 100 - 3.0=100 HA THR 34 - HB VAL 83 OK 19 73 - 25 - 3755/2.1=5, 3749/2.1=4...(10) HA ASN 60 - HB VAL 83 OK 16 77 - 21 - 3749/2.1=5, 4.5/9428=4...(6) Peak 3744 from cnoeabs.peaks (2.11, 2.11, 35.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 83 + HB VAL 83 OK 100 100 - 100 Peak 3745 from cnoeabs.peaks (0.96, 2.11, 35.30 ppm; 2.98 A): 1 out of 4 assignments used, quality = 1.00: * QG2 VAL 83 + HB VAL 83 OK 100 100 - 100 - 2.1=100 HG LEU 55 - HB VAL 83 OK 38 100 - 38 - 3757/2.1=7, 3.0/3746=5...(16) QG2 THR 80 - HB VAL 83 OK 12 70 - 17 - 10914/4.4=2, ~9826=2...(5) QG2 VAL 5 - HB VAL 83 lone 6 70 - 8 - Peak 3746 from cnoeabs.peaks (1.01, 2.11, 35.30 ppm; 3.12 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 83 + HB VAL 83 OK 100 100 - 100 - 2.1=100 HB3 LEU 55 - HB VAL 83 OK 29 70 - 41 - 3752/2.1=7, 3.0/3745=6...(17) Peak 3747 from cnoeabs.peaks (9.20, 2.11, 35.30 ppm; 4.02 A): 1 out of 2 assignments used, quality = 0.95: * H THR 84 + HB VAL 83 OK 95 100 - 95 - 4.4=75, 7359/3.0=35...(12) H ILE 56 - HB VAL 83 OK 36 87 - 41 - 3753/2.1=13, 3759/2.1=10...(9) Peak 3748 from cnoeabs.peaks (9.11, 0.96, 21.21 ppm; 3.25 A): 1 out of 2 assignments used, quality = 0.82: * H VAL 83 + QG2 VAL 83 OK 82 100 - 82 - 4.0=54, 7355/2.1=25...(11) H ARG 30 - QG2 VAL 83 lone 6 65 - 9 - 3754/2.1=2, 3742/2.1=2...(4) Peak 3749 from cnoeabs.peaks (4.80, 0.96, 21.21 ppm; 3.73 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 83 + QG2 VAL 83 OK 100 100 - 100 - 3.2=100 HA ASN 60 - QG2 VAL 83 OK 24 77 - 31 - 4.8/9784=11, 7352/4.0=5...(8) HA THR 34 - QG2 VAL 83 OK 22 73 - 30 - 3755/2.1=6, 3743/2.1=5...(10) Peak 3750 from cnoeabs.peaks (2.11, 0.96, 21.21 ppm; 2.98 A): 1 out of 11 assignments used, quality = 1.00: * HB VAL 83 + QG2 VAL 83 OK 100 100 - 100 - 2.1=100 HB2 LEU 64 - QG2 VAL 83 OK 35 100 - 35 - 3.0/9476=5, 3756/2.1=5...(16) HB3 PRO 86 - QG2 VAL 83 OK 22 96 - 23 - ~9823=4, 3756/2.1=3...(7) HB2 PRO 86 - QG2 VAL 83 OK 21 97 - 22 - ~9823=4, 3756/2.1=3...(8) HG3 GLU 104 - QG2 VAL 83 poor 9 77 - 11 - 3.0/9816=2, 3756/2.1=1 QE MET 21 - QG2 VAL 83 lone 7 81 - 9 - 6.1/9779=1, 3756/2.1=1 HG3 GLU 37 - QG2 VAL 83 lone 6 100 - 5 - HB3 GLU 37 - QG2 VAL 83 lone 3 84 - 4 - HB2 GLU 69 - QG2 VAL 83 lone 3 81 - 4 - 4.0/9534=2 HB3 GLU 69 - QG2 VAL 83 lone 3 81 - 4 - 4.0/9534=2 HG2 GLU 69 - QG2 VAL 83 lone 2 81 - 3 - 5.1/9534=2 Peak 3751 from cnoeabs.peaks (0.96, 0.96, 21.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 83 + QG2 VAL 83 OK 100 100 - 100 Peak 3752 from cnoeabs.peaks (1.01, 0.96, 21.21 ppm; 2.52 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 83 + QG2 VAL 83 OK 100 100 - 100 - 2.1=100 HB3 LEU 55 - QG2 VAL 83 OK 22 70 - 32 - 3746/2.1=5, 3.1/2541=3...(17) Peak 3753 from cnoeabs.peaks (9.20, 0.96, 21.21 ppm; 4.20 A): 2 out of 2 assignments used, quality = 1.00: * H THR 84 + QG2 VAL 83 OK 100 100 - 100 - 4.0=100 H ILE 56 + QG2 VAL 83 OK 63 87 - 72 - 3759/2.1=11, 6918=10...(19) Peak 3754 from cnoeabs.peaks (9.11, 1.01, 23.61 ppm; 3.84 A): 1 out of 2 assignments used, quality = 0.97: * H VAL 83 + QG1 VAL 83 OK 97 100 - 97 - 4.0=90, 3748/2.1=39...(10) H ARG 30 - QG1 VAL 83 poor 9 65 - 14 - 3748/2.1=3, 3742/2.1=3...(5) Peak 3755 from cnoeabs.peaks (4.80, 1.01, 23.61 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 83 + QG1 VAL 83 OK 100 100 - 100 - 3.2=100 HA THR 34 - QG1 VAL 83 OK 19 73 - 26 - 3743/2.1=5, 3749/2.1=4...(8) HA ASN 60 - QG1 VAL 83 OK 16 77 - 21 - 3749/2.1=5, 3743/2.1=4...(7) Peak 3756 from cnoeabs.peaks (2.11, 1.01, 23.61 ppm; 3.04 A): 1 out of 11 assignments used, quality = 1.00: * HB VAL 83 + QG1 VAL 83 OK 100 100 - 100 - 2.1=100 HB2 LEU 64 - QG1 VAL 83 OK 34 100 - 34 - 3750/2.1=5, 1.8/9811=3...(15) HB3 PRO 86 - QG1 VAL 83 OK 23 96 - 25 - 2.3/9823=4, 3750/2.1=3...(9) HB2 PRO 86 - QG1 VAL 83 OK 22 97 - 23 - 2.3/9823=4, 3750/2.1=3...(9) HG3 GLU 104 - QG1 VAL 83 poor 8 77 - 11 - 3.0/9813=2, 3750/2.1=1, ~9816=1 QE MET 21 - QG1 VAL 83 lone 7 81 - 9 - 6.1/9793=2, 3750/2.1=1 HG3 GLU 37 - QG1 VAL 83 lone 6 100 - 6 - HB3 GLU 37 - QG1 VAL 83 lone 4 84 - 4 - HB2 GLU 69 - QG1 VAL 83 lone 2 81 - 3 - HB3 GLU 69 - QG1 VAL 83 lone 2 81 - 3 - HG2 GLU 69 - QG1 VAL 83 lone 1 81 - 2 - Peak 3757 from cnoeabs.peaks (0.96, 1.01, 23.61 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * QG2 VAL 83 + QG1 VAL 83 OK 100 100 - 100 - 2.1=100 HG LEU 55 - QG1 VAL 83 OK 25 100 - 25 - 3745/2.1=5, 7361/4.0=2...(13) QG2 THR 80 - QG1 VAL 83 poor 7 70 - 10 - 3745/2.1=1, 10914/4.0=1...(4) QG2 VAL 5 - QG1 VAL 83 lone 4 70 - 5 - Peak 3758 from cnoeabs.peaks (1.01, 1.01, 23.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 83 + QG1 VAL 83 OK 100 100 - 100 Peak 3759 from cnoeabs.peaks (9.20, 1.01, 23.61 ppm; 4.34 A): 2 out of 2 assignments used, quality = 1.00: * H THR 84 + QG1 VAL 83 OK 100 100 - 100 - 4.0=100 H ILE 56 + QG1 VAL 83 OK 46 87 - 53 - 3753/2.1=15, 3747/2.1=11...(13) Peak 3760 from cnoeabs.peaks (9.20, 4.58, 60.96 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * H THR 84 + HA THR 84 OK 100 100 - 100 - 3.0=100 H ILE 56 - HA THR 84 OK 13 87 - 15 - 7368/3.6=4, 3770/3.2=4...(4) Peak 3761 from cnoeabs.peaks (4.58, 4.58, 60.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 84 + HA THR 84 OK 100 100 - 100 Peak 3762 from cnoeabs.peaks (4.44, 4.58, 60.96 ppm; 3.07 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 84 + HA THR 84 OK 100 100 - 100 - 3.0=100 HA ILE 76 - HA THR 84 lone 5 87 - 6 - 3.6/7268=1 HA SER 9 - HA THR 84 lone 4 90 - 4 - HA GLU 48 - HA THR 84 lone 2 87 - 2 - Peak 3763 from cnoeabs.peaks (1.24, 4.58, 60.96 ppm; 3.13 A): 1 out of 2 assignments used, quality = 0.96: * QG2 THR 84 + HA THR 84 OK 96 100 - 96 - 3.2=92, 2.1/3766=30...(5) QB ALA 18 - HA THR 84 lone 6 77 - 8 - 7371/3.6=2, 7365/3.0=2 Peak 3764 from cnoeabs.peaks (7.69, 4.58, 60.96 ppm; 4.07 A): 1 out of 3 assignments used, quality = 1.00: * H SER 85 + HA THR 84 OK 100 100 - 100 - 3.6=100 H MET 21 - HA THR 84 OK 25 99 - 25 - 8560/3.2=9, 7366/3.0=8...(5) HD22 ASN 51 - HA THR 84 OK 14 100 - 13 - 7366/3.0=5, 3769/3.0=3...(5) Peak 3765 from cnoeabs.peaks (9.20, 4.44, 70.10 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * H THR 84 + HB THR 84 OK 100 100 - 100 - 4.0=100 H ILE 56 - HB THR 84 OK 13 87 - 15 - 3770/2.1=6, 3760/3.0=4...(4) Peak 3766 from cnoeabs.peaks (4.58, 4.44, 70.10 ppm; 2.96 A): 1 out of 5 assignments used, quality = 0.97: * HA THR 84 + HB THR 84 OK 97 100 - 97 - 3.0=94, 3763/2.1=27...(6) HA ASP 77 - HB THR 84 lone 6 92 - 6 - 3771/2.1=2 HA ASP 11 - HB THR 84 lone 2 70 - 3 - HB THR 34 - HB THR 84 lone 2 73 - 3 - 7363/4.0=1 HA HIS 105 - HB THR 84 lone 1 81 - 1 - Peak 3767 from cnoeabs.peaks (4.44, 4.44, 70.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 84 + HB THR 84 OK 100 100 - 100 Peak 3768 from cnoeabs.peaks (1.24, 4.44, 70.10 ppm; 2.69 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 84 + HB THR 84 OK 100 100 - 100 - 2.1=100 QB ALA 18 - HB THR 84 lone 4 77 - 6 - 7371/4.7=1, 3763/3.0=1 Peak 3769 from cnoeabs.peaks (7.69, 4.44, 70.10 ppm; 4.15 A): 3 out of 3 assignments used, quality = 0.91: * H SER 85 + HB THR 84 OK 86 100 - 86 - 4.7=71, 3.6/3766=32...(4) H MET 21 + HB THR 84 OK 23 99 - 23 - 8560/2.1=11, 7366/4.0=6 HD22 ASN 51 + HB THR 84 OK 13 100 - 13 - 7366/4.0=4, 3774/2.1=3...(4) Peak 3770 from cnoeabs.peaks (9.20, 1.24, 21.00 ppm; 3.81 A): 1 out of 2 assignments used, quality = 0.95: * H THR 84 + QG2 THR 84 OK 95 100 - 95 - 4.0=88, 3.0/3763=33...(5) H ILE 56 - QG2 THR 84 OK 14 87 - 16 - 7368/4.3=3, 3765/2.1=3...(6) Peak 3771 from cnoeabs.peaks (4.58, 1.24, 21.00 ppm; 3.22 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 84 + QG2 THR 84 OK 100 100 - 100 - 3.2=100 HA ASP 77 - QG2 THR 84 lone 7 92 - 7 - 3766/2.1=2, 7363/4.0=1 HB THR 34 - QG2 THR 84 lone 3 73 - 4 - 7363/4.0=1 HA ASP 11 - QG2 THR 84 lone 3 70 - 4 - HA HIS 105 - QG2 THR 84 lone 1 81 - 1 - Peak 3772 from cnoeabs.peaks (4.44, 1.24, 21.00 ppm; 2.88 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 84 + QG2 THR 84 OK 100 100 - 100 - 2.1=100 HA ILE 76 - QG2 THR 84 lone 3 87 - 3 - HA SER 9 - QG2 THR 84 lone 3 90 - 3 - HA GLU 48 - QG2 THR 84 lone 2 87 - 2 - Peak 3773 from cnoeabs.peaks (1.24, 1.24, 21.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 84 + QG2 THR 84 OK 100 100 - 100 Peak 3774 from cnoeabs.peaks (7.69, 1.24, 21.00 ppm; 4.59 A): 1 out of 3 assignments used, quality = 1.00: * H SER 85 + QG2 THR 84 OK 100 100 - 100 - 4.3=100 H MET 21 - QG2 THR 84 OK 43 99 - 43 - 8560=16, 3769/2.1=8...(8) HD22 ASN 51 - QG2 THR 84 OK 18 100 - 17 - 3769/2.1=5, 7366/4.0=4...(5) Peak 3775 from cnoeabs.peaks (7.69, 5.14, 55.20 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: * H SER 85 + HA SER 85 OK 100 100 - 100 - 3.0=100 H MET 21 - HA SER 85 OK 25 99 - 25 - 4.6/9866=7, 3779/3.0=5...(7) HD22 ASN 51 - HA SER 85 OK 14 100 - 14 - 3779/3.0=3, 3783/3.0=3...(6) Peak 3776 from cnoeabs.peaks (5.14, 5.14, 55.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 85 + HA SER 85 OK 100 100 - 100 Peak 3777 from cnoeabs.peaks (3.90, 5.14, 55.20 ppm; 3.54 A): 1 out of 7 assignments used, quality = 1.00: * HB2 SER 85 + HA SER 85 OK 100 100 - 100 - 3.0=100 HA ALA 89 - HA SER 85 OK 28 100 - 28 - 7373/3.0=5, ~9848=4...(11) HA ARG 91 - HA SER 85 OK 10 77 - 13 - 3.6/10954=4, 3785/3.0=2...(4) HA GLU 63 - HA SER 85 lone 5 90 - 6 - HA3 GLY 101 - HA SER 85 lone 3 92 - 3 - HA GLU 35 - HA SER 85 lone 2 73 - 2 - HB2 SER 102 - HA SER 85 lone 2 94 - 2 - Peak 3778 from cnoeabs.peaks (4.19, 5.14, 55.20 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * HB3 SER 85 + HA SER 85 OK 100 100 - 100 - 3.0=100 HA GLU 98 - HA SER 85 lone 5 100 - 5 - 3782/3.0=1, ~7590=1 HA LYS 73 - HA SER 85 lone 1 61 - 2 - Peak 3779 from cnoeabs.peaks (7.69, 3.90, 64.38 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * H SER 85 + HB2 SER 85 OK 100 100 - 100 - 4.0=100 H MET 21 - HB2 SER 85 OK 17 99 - 17 - 3783/1.8=5, 3775/3.0=4...(5) HD22 ASN 51 - HB2 SER 85 lone 9 100 - 9 - 3783/1.8=3, 3775/3.0=2 Peak 3780 from cnoeabs.peaks (5.14, 3.90, 64.38 ppm; 3.20 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 85 + HB2 SER 85 OK 100 100 - 100 - 3.0=100 HA ILE 7 - HB2 SER 85 OK 11 99 - 11 - 3784/1.8=3, 7372/4.0=2 HA LEU 3 - HB2 SER 85 lone 8 96 - 8 - 3784/1.8=2, 7372/4.0=1 HA TYR 4 - HB2 SER 85 lone 5 97 - 5 - 3784/1.8=1 Peak 3781 from cnoeabs.peaks (3.90, 3.90, 64.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 85 + HB2 SER 85 OK 100 100 - 100 Peak 3782 from cnoeabs.peaks (4.19, 3.90, 64.38 ppm; 2.58 A): 1 out of 3 assignments used, quality = 1.00: * HB3 SER 85 + HB2 SER 85 OK 100 100 - 100 - 1.8=100 HA GLU 98 - HB2 SER 85 lone 3 100 - 3 - HA LYS 73 - HB2 SER 85 lone 0 61 - 1 - Peak 3783 from cnoeabs.peaks (7.69, 4.19, 64.38 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: * H SER 85 + HB3 SER 85 OK 100 100 - 100 - 4.0=100 H MET 21 - HB3 SER 85 OK 18 99 - 18 - 3779/1.8=6, 3775/3.0=5...(5) HD22 ASN 51 - HB3 SER 85 lone 9 100 - 9 - 3779/1.8=3, 3775/3.0=3 Peak 3784 from cnoeabs.peaks (5.14, 4.19, 64.38 ppm; 3.18 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 85 + HB3 SER 85 OK 100 100 - 100 - 3.0=100 HA ILE 7 - HB3 SER 85 OK 10 99 - 10 - 3780/1.8=3, 7372/4.0=2 HA LEU 3 - HB3 SER 85 lone 7 96 - 8 - 3780/1.8=2, 7372/4.0=1 HA TYR 4 - HB3 SER 85 lone 5 97 - 5 - 3780/1.8=1 Peak 3785 from cnoeabs.peaks (3.90, 4.19, 64.38 ppm; 2.59 A): 1 out of 7 assignments used, quality = 1.00: * HB2 SER 85 + HB3 SER 85 OK 100 100 - 100 - 1.8=100 HA ALA 89 - HB3 SER 85 OK 11 100 - 12 - 3777/3.0=3, 3.0/9848=2...(5) HA ARG 91 - HB3 SER 85 lone 6 77 - 8 - 3.6/9849=2, 4.8/9872=1 HA GLU 63 - HB3 SER 85 lone 3 90 - 3 - HA GLU 35 - HB3 SER 85 lone 1 73 - 2 - HA3 GLY 101 - HB3 SER 85 lone 1 92 - 1 - HB2 SER 102 - HB3 SER 85 lone 1 94 - 1 - Peak 3786 from cnoeabs.peaks (4.19, 4.19, 64.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 85 + HB3 SER 85 OK 100 100 - 100 Peak 3787 from cnoeabs.peaks (5.14, 3.98, 50.67 ppm; 3.02 A): 6 out of 8 assignments used, quality = 0.94: * HA SER 85 + HD2 PRO 86 OK 68 100 - 69 - 3.8=52, 3790/1.8=16...(13) HA SER 85 + HD3 PRO 86 OK 68 100 - 69 - 3.8=52, 3790/1.8=16...(13) HA ILE 7 + HD2 PRO 86 OK 11 99 - 11 - 9858/3.0=2, 7372/4.8=1 HA ILE 7 + HD3 PRO 86 OK 11 99 - 11 - 9858/3.0=2, 7372/4.8=1 HA LEU 3 + HD2 PRO 86 OK 10 96 - 11 - ~10958=3, 9858/3.0=2, 9891/2.3=1 HA LEU 3 + HD3 PRO 86 OK 10 95 - 11 - ~10958=3, 9858/3.0=2, 9891/2.3=1 HA TYR 4 - HD2 PRO 86 lone 3 97 - 3 - HA TYR 4 - HD3 PRO 86 lone 3 97 - 3 - Peak 3788 from cnoeabs.peaks (3.98, 5.14, 55.20 ppm; 3.08 A): 2 out of 4 assignments used, quality = 0.91: HD3 PRO 86 + HA SER 85 OK 70 100 - 70 - 3.8=54, 1.8/3787=13...(13) * HD2 PRO 86 + HA SER 85 OK 70 100 - 70 - 3.8=54, 1.8/3789=13...(13) HB3 SER 97 - HA SER 85 lone 2 97 - 2 - HA GLU 69 - HA SER 85 lone 1 65 - 2 - Peak 3789 from cnoeabs.peaks (5.14, 3.98, 50.67 ppm; 3.02 A): 6 out of 8 assignments used, quality = 0.94: * HA SER 85 + HD3 PRO 86 OK 69 100 - 69 - 3.8=52, 3790/1.8=16...(13) HA SER 85 + HD2 PRO 86 OK 68 100 - 69 - 3.8=52, 3790/1.8=16...(13) HA ILE 7 + HD3 PRO 86 OK 11 99 - 11 - 9858/3.0=2, 7372/4.8=1 HA ILE 7 + HD2 PRO 86 OK 11 99 - 11 - 9858/3.0=2, 7372/4.8=1 HA LEU 3 + HD3 PRO 86 OK 10 96 - 11 - ~10958=3, 9858/3.0=2, 9891/2.3=1 HA LEU 3 + HD2 PRO 86 OK 10 95 - 11 - ~10958=3, 9858/3.0=2, 9891/2.3=1 HA TYR 4 - HD3 PRO 86 lone 3 97 - 3 - HA TYR 4 - HD2 PRO 86 lone 3 97 - 3 - Peak 3790 from cnoeabs.peaks (3.98, 5.14, 55.20 ppm; 3.08 A): 2 out of 4 assignments used, quality = 0.91: * HD3 PRO 86 + HA SER 85 OK 70 100 - 70 - 3.8=54, 1.8/3787=13...(13) HD2 PRO 86 + HA SER 85 OK 70 100 - 70 - 3.8=54, 1.8/3789=13...(13) HB3 SER 97 - HA SER 85 lone 2 96 - 2 - HA GLU 69 - HA SER 85 lone 1 61 - 2 - Peak 3791 from cnoeabs.peaks (4.09, 3.98, 50.67 ppm; 3.75 A): 2 out of 8 assignments used, quality = 1.00: * HA PRO 86 + HD2 PRO 86 OK 100 100 - 100 - 3.6=100 HA PRO 86 + HD3 PRO 86 OK 100 100 - 100 - 3.6=100 HA LYS 24 - HD2 PRO 86 OK 33 90 - 37 - 3823/3.0=6, 3815/3.0=6...(13) HA LYS 24 - HD3 PRO 86 OK 33 89 - 37 - 3823/3.0=6, 3815/3.0=6...(13) HA LYS 66 - HD2 PRO 86 OK 23 87 - 26 - 3815/3.0=6, 3823/3.0=5...(8) HA LYS 66 - HD3 PRO 86 OK 23 86 - 26 - 3815/3.0=6, 3823/3.0=5...(8) HA ARG 46 - HD2 PRO 86 lone 5 73 - 6 - 3815/3.0=1, 3823/3.0=1 HA ARG 46 - HD3 PRO 86 lone 5 73 - 6 - 3815/3.0=1, 3823/3.0=1 Peak 3792 from cnoeabs.peaks (2.12, 3.98, 50.67 ppm; 3.68 A): 4 out of 22 assignments used, quality = 1.00: * HB2 PRO 86 + HD2 PRO 86 OK 100 100 - 100 - 3.0=100 HB2 PRO 86 + HD3 PRO 86 OK 100 100 - 100 - 3.0=100 HB3 PRO 86 + HD2 PRO 86 OK 77 77 - 100 - 3.0=100 HB3 PRO 86 + HD3 PRO 86 OK 77 77 - 100 - 3.0=100 HB2 GLU 69 - HD2 PRO 86 OK 36 97 - 38 - 10802/2.3=6, 3102/3.6=4...(19) HB3 GLU 69 - HD2 PRO 86 OK 36 97 - 38 - 10802/2.3=6, 3102/3.6=4...(19) HB2 GLU 69 - HD3 PRO 86 OK 36 97 - 38 - 10802/2.3=6, 3102/3.6=4...(18) HB3 GLU 69 - HD3 PRO 86 OK 36 97 - 38 - 10802/2.3=6, 3102/3.6=4...(18) HB VAL 83 - HD2 PRO 86 OK 22 97 - 23 - 9774/4.8=8, 9829/4.9=2...(8) HB VAL 83 - HD3 PRO 86 OK 22 97 - 23 - 9774/4.8=8, 9829/4.9=2...(9) HB2 GLU 75 - HD2 PRO 86 OK 21 73 - 29 - 1.8/3845=3, ~3827=3...(15) HB2 GLU 75 - HD3 PRO 86 OK 21 73 - 29 - 1.8/3845=3, ~3827=3...(15) HG2 GLU 69 - HD3 PRO 86 OK 21 97 - 22 - 3111/1.8=3, ~10802=2...(11) HG2 GLU 69 - HD2 PRO 86 OK 21 97 - 22 - 3111/1.8=3, ~10802=2...(9) HB2 LEU 64 - HD2 PRO 86 OK 16 97 - 16 - ~2820=2, ~10957=2...(9) HB2 LEU 64 - HD3 PRO 86 OK 16 97 - 16 - ~2820=2, ~10957=2...(9) HB3 GLU 37 - HD2 PRO 86 lone 7 98 - 7 - HB3 GLU 37 - HD3 PRO 86 lone 7 98 - 7 - HG3 GLU 37 - HD2 PRO 86 lone 5 92 - 5 - HG3 GLU 37 - HD3 PRO 86 lone 5 91 - 5 - HG2 GLU 44 - HD2 PRO 86 lone 2 77 - 2 - HG2 GLU 44 - HD3 PRO 86 lone 2 77 - 2 - Peak 3793 from cnoeabs.peaks (2.10, 3.98, 50.67 ppm; 3.74 A): 4 out of 18 assignments used, quality = 1.00: * HB3 PRO 86 + HD2 PRO 86 OK 100 100 - 100 - 3.0=100 HB3 PRO 86 + HD3 PRO 86 OK 100 100 - 100 - 3.0=100 HB2 PRO 86 + HD2 PRO 86 OK 77 77 - 100 - 3.0=100 HB2 PRO 86 + HD3 PRO 86 OK 77 77 - 100 - 3.0=100 HB VAL 83 - HD2 PRO 86 OK 24 96 - 25 - 9774/4.8=8, 9829/4.9=2...(10) HB VAL 83 - HD3 PRO 86 OK 24 95 - 25 - 9774/4.8=8, 9829/4.9=2...(10) QE MET 21 - HD3 PRO 86 OK 23 98 - 24 - 8540/3.6=6, 10444/2.3=3...(8) QE MET 21 - HD2 PRO 86 OK 23 98 - 24 - 8540/3.6=6, 10444/2.3=3...(8) HB2 LEU 64 - HD2 PRO 86 OK 19 96 - 20 - 3841/2.3=2, ~2820=2...(10) HB2 LEU 64 - HD3 PRO 86 OK 19 95 - 20 - 3841/2.3=2, ~2820=2...(10) HG3 GLU 37 - HD2 PRO 86 lone 7 99 - 7 - HG3 GLU 37 - HD3 PRO 86 lone 7 99 - 7 - HB2 GLU 23 - HD2 PRO 86 poor 7 65 - 10 - 9870/4.9=2, 4.6/9851=2 HB2 GLU 23 - HD3 PRO 86 poor 7 65 - 10 - 9870/4.9=2, 4.6/9851=2 HG3 GLU 104 - HD3 PRO 86 lone 4 97 - 4 - HG3 GLU 104 - HD2 PRO 86 lone 4 97 - 4 - HB3 GLU 62 - HD2 PRO 86 lone 2 73 - 3 - HB3 GLU 62 - HD3 PRO 86 lone 2 73 - 3 - Peak 3794 from cnoeabs.peaks (1.69, 3.98, 50.67 ppm; 3.58 A): 2 out of 40 assignments used, quality = 1.00: * HG2 PRO 86 + HD2 PRO 86 OK 100 100 - 100 - 2.3=100 HG2 PRO 86 + HD3 PRO 86 OK 100 100 - 100 - 2.3=100 HD3 LYS 90 - HD2 PRO 86 OK 30 99 - 30 - ~12334=7, 10315/4.9=6...(10) HD3 LYS 90 - HD3 PRO 86 OK 30 99 - 30 - ~12334=7, 10315/4.9=6...(10) HD3 LYS 66 - HD2 PRO 86 OK 29 94 - 31 - 2942/3.6=5, ~12288=4...(11) HD3 LYS 66 - HD3 PRO 86 OK 29 94 - 31 - 2942/3.6=5, ~12288=4...(11) HG LEU 70 - HD2 PRO 86 OK 24 98 - 25 - ~10278=3, 3837=2...(12) HG LEU 70 - HD3 PRO 86 OK 24 98 - 24 - ~10278=3, 3837=2...(12) HB3 ARG 91 - HD2 PRO 86 OK 21 92 - 23 - 4.3/3798=2, 3826/3.0=2...(11) HB3 ARG 91 - HD3 PRO 86 OK 21 91 - 23 - 4.3/3806=2, 3826/3.0=2...(11) HB2 LEU 2 - HD2 PRO 86 OK 21 94 - 22 - ~9882=3, 3842/2.3=2...(9) HB2 LEU 2 - HD3 PRO 86 OK 21 94 - 22 - ~9882=3, 3842/2.3=2...(9) HD2 LYS 24 - HD2 PRO 86 OK 20 100 - 20 - 3818/3.0=2, 3826/3.0=2...(9) HD2 LYS 24 - HD3 PRO 86 OK 20 100 - 20 - 3818/3.0=2, 3826/3.0=2...(9) HD3 LYS 24 - HD2 PRO 86 OK 20 99 - 20 - 3818/3.0=2, 3826/3.0=2...(9) HD3 LYS 24 - HD3 PRO 86 OK 20 99 - 20 - 3818/3.0=2, 3826/3.0=2...(9) HD2 LYS 13 - HD2 PRO 86 OK 11 96 - 11 - HD2 LYS 13 - HD3 PRO 86 OK 11 95 - 11 - HD3 LYS 13 - HD2 PRO 86 OK 10 92 - 11 - HD3 LYS 13 - HD3 PRO 86 OK 10 91 - 11 - HD2 LYS 12 - HD2 PRO 86 lone 8 96 - 8 - 10315/4.9=2 HD3 LYS 12 - HD2 PRO 86 lone 8 96 - 8 - 10315/4.9=2 HD3 LYS 12 - HD3 PRO 86 lone 8 95 - 8 - 10315/4.9=2 HD2 LYS 12 - HD3 PRO 86 lone 8 95 - 8 - 10315/4.9=2 HB3 LYS 53 - HD2 PRO 86 lone 7 97 - 8 - 9203/3.8=2 HB3 LYS 53 - HD3 PRO 86 lone 7 97 - 8 - 9203/3.8=2 HD3 LYS 47 - HD2 PRO 86 lone 7 90 - 8 - HD3 LYS 47 - HD3 PRO 86 lone 7 89 - 8 - HG12 ILE 15 - HD2 PRO 86 lone 7 100 - 7 - 10315/4.9=1 HG12 ILE 15 - HD3 PRO 86 lone 7 100 - 7 - 10315/4.9=1 HD2 LYS 47 - HD2 PRO 86 lone 7 87 - 7 - HD2 LYS 47 - HD3 PRO 86 lone 7 86 - 7 - HB3 LYS 40 - HD2 PRO 86 lone 4 94 - 4 - HB3 LYS 40 - HD3 PRO 86 lone 4 94 - 4 - HD2 LYS 20 - HD2 PRO 86 lone 3 77 - 4 - HD2 LYS 20 - HD3 PRO 86 lone 3 77 - 4 - HG3 LYS 20 - HD2 PRO 86 lone 3 65 - 4 - 903/4.8=1 HG3 LYS 20 - HD3 PRO 86 lone 3 65 - 4 - 903/4.8=1 HD3 LYS 20 - HD2 PRO 86 lone 2 65 - 3 - HD3 LYS 20 - HD3 PRO 86 lone 2 65 - 3 - Peak 3795 from cnoeabs.peaks (2.19, 3.98, 50.67 ppm; 3.39 A): 2 out of 16 assignments used, quality = 1.00: * HG3 PRO 86 + HD2 PRO 86 OK 100 100 - 100 - 2.3=100 HG3 PRO 86 + HD3 PRO 86 OK 100 100 - 100 - 2.3=100 HB3 GLU 75 - HD2 PRO 86 OK 29 98 - 30 - 3827/3.0=4, 3845=4...(10) HB3 GLU 75 - HD3 PRO 86 OK 29 98 - 30 - 3827/3.0=4, 3845=4...(10) HG2 MET 1 - HD2 PRO 86 OK 17 100 - 18 - ~12333=4, 3819/3.0=3...(6) HG2 MET 1 - HD3 PRO 86 OK 17 100 - 18 - ~12333=4, 3819/3.0=3...(6) HG3 GLU 35 - HD2 PRO 86 OK 14 100 - 14 - 3819/3.0=2, 3827/3.0=2...(7) HG2 GLU 35 - HD2 PRO 86 OK 14 100 - 14 - 3819/3.0=2, 3827/3.0=2...(7) HG3 GLU 35 - HD3 PRO 86 OK 14 100 - 14 - 3819/3.0=2, 3827/3.0=2...(7) HG2 GLU 35 - HD3 PRO 86 OK 14 100 - 14 - 3819/3.0=2, 3827/3.0=2...(7) HB2 GLU 63 - HD2 PRO 86 OK 12 100 - 12 - 3819/3.0=2, 3827/3.0=2...(6) HB2 GLU 63 - HD3 PRO 86 OK 12 100 - 12 - 3819/3.0=2, 3827/3.0=2...(6) HG2 GLU 43 - HD2 PRO 86 lone 5 97 - 5 - HG2 GLU 43 - HD3 PRO 86 lone 5 97 - 5 - HB2 GLU 95 - HD2 PRO 86 lone 5 94 - 5 - HB2 GLU 95 - HD3 PRO 86 lone 5 94 - 5 - Peak 3796 from cnoeabs.peaks (3.98, 3.98, 50.67 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 86 + HD2 PRO 86 OK 100 100 - 100 HD3 PRO 86 + HD3 PRO 86 OK 100 100 - 100 Peak 3797 from cnoeabs.peaks (3.98, 3.98, 50.67 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 86 + HD2 PRO 86 OK 100 100 - 100 HD3 PRO 86 + HD3 PRO 86 OK 100 100 - 100 Reference assignment not found: HD3 PRO 86 - HD2 PRO 86 Peak 3798 from cnoeabs.peaks (8.13, 3.98, 50.67 ppm; 4.18 A): 4 out of 6 assignments used, quality = 0.99: * H ASP 87 + HD2 PRO 86 OK 80 100 - 80 - 7382=23, 7382/1.8=20...(14) H ASP 87 + HD3 PRO 86 OK 80 100 - 80 - 7382=23, 7382/1.8=20...(14) H TRP 92 + HD2 PRO 86 OK 46 99 - 47 - 3830/3.0=9, 3822/3.0=8...(9) H TRP 92 + HD3 PRO 86 OK 46 99 - 47 - 3830/3.0=9, 3822/3.0=8...(9) H GLY 100 - HD2 PRO 86 OK 29 97 - 30 - 7618/4.9=5, 3822/3.0=5...(8) H GLY 100 - HD3 PRO 86 OK 29 97 - 30 - 7618/4.9=5, 3822/3.0=5...(8) Peak 3799 from cnoeabs.peaks (4.09, 3.98, 50.67 ppm; 3.75 A): 2 out of 8 assignments used, quality = 1.00: * HA PRO 86 + HD3 PRO 86 OK 100 100 - 100 - 3.6=100 HA PRO 86 + HD2 PRO 86 OK 100 100 - 100 - 3.6=100 HA LYS 24 - HD3 PRO 86 OK 33 90 - 37 - 3823/3.0=6, 3815/3.0=6...(12) HA LYS 24 - HD2 PRO 86 OK 33 89 - 37 - 3823/3.0=6, 3815/3.0=6...(13) HA LYS 66 - HD3 PRO 86 OK 23 87 - 26 - 3815/3.0=6, 3823/3.0=5...(8) HA LYS 66 - HD2 PRO 86 OK 23 86 - 26 - 3815/3.0=6, 3823/3.0=5...(8) HA ARG 46 - HD3 PRO 86 lone 5 73 - 6 - 3815/3.0=1, 3823/3.0=1 HA ARG 46 - HD2 PRO 86 lone 5 73 - 6 - 3815/3.0=1, 3823/3.0=1 Peak 3800 from cnoeabs.peaks (2.12, 3.98, 50.67 ppm; 3.68 A): 4 out of 22 assignments used, quality = 1.00: * HB2 PRO 86 + HD3 PRO 86 OK 100 100 - 100 - 3.0=100 HB2 PRO 86 + HD2 PRO 86 OK 100 100 - 100 - 3.0=100 HB3 PRO 86 + HD3 PRO 86 OK 77 77 - 100 - 3.0=100 HB3 PRO 86 + HD2 PRO 86 OK 77 77 - 100 - 3.0=100 HB2 GLU 69 - HD3 PRO 86 OK 36 97 - 37 - 10802/2.3=6, 3102/3.6=4...(15) HB3 GLU 69 - HD3 PRO 86 OK 36 97 - 37 - 10802/2.3=6, 3102/3.6=4...(15) HB2 GLU 69 - HD2 PRO 86 OK 36 97 - 37 - 10802/2.3=6, 3102/3.6=4...(18) HB3 GLU 69 - HD2 PRO 86 OK 36 97 - 37 - 10802/2.3=6, 3102/3.6=4...(18) HB VAL 83 - HD3 PRO 86 OK 22 97 - 23 - 9774/4.8=8, 9829/4.9=2...(9) HB VAL 83 - HD2 PRO 86 OK 22 97 - 23 - 9774/4.8=8, 9829/4.9=2...(9) HB2 GLU 75 - HD3 PRO 86 OK 21 73 - 29 - 1.8/3845=3, ~3827=3...(15) HB2 GLU 75 - HD2 PRO 86 OK 21 73 - 29 - 1.8/3845=3, ~3827=3...(15) HG2 GLU 69 - HD3 PRO 86 OK 21 97 - 21 - 3111/1.8=3, ~10802=2...(11) HG2 GLU 69 - HD2 PRO 86 OK 21 97 - 21 - 3111/1.8=3, ~10802=2...(9) HB2 LEU 64 - HD3 PRO 86 OK 16 97 - 17 - ~2820=2, ~10957=2...(9) HB2 LEU 64 - HD2 PRO 86 OK 16 97 - 16 - ~2820=2, ~10957=2...(9) HB3 GLU 37 - HD3 PRO 86 lone 7 98 - 7 - HB3 GLU 37 - HD2 PRO 86 lone 7 98 - 7 - HG3 GLU 37 - HD3 PRO 86 lone 5 92 - 5 - HG3 GLU 37 - HD2 PRO 86 lone 5 91 - 5 - HG2 GLU 44 - HD3 PRO 86 lone 2 77 - 2 - HG2 GLU 44 - HD2 PRO 86 lone 2 77 - 2 - Peak 3801 from cnoeabs.peaks (2.10, 3.98, 50.67 ppm; 3.74 A): 4 out of 18 assignments used, quality = 1.00: * HB3 PRO 86 + HD3 PRO 86 OK 100 100 - 100 - 3.0=100 HB3 PRO 86 + HD2 PRO 86 OK 100 100 - 100 - 3.0=100 HB2 PRO 86 + HD3 PRO 86 OK 77 77 - 100 - 3.0=100 HB2 PRO 86 + HD2 PRO 86 OK 77 77 - 100 - 3.0=100 HB VAL 83 - HD3 PRO 86 OK 24 96 - 25 - 9774/4.8=8, 9829/4.9=2...(10) HB VAL 83 - HD2 PRO 86 OK 24 95 - 25 - 9774/4.8=8, 9829/4.9=2...(10) QE MET 21 - HD3 PRO 86 OK 23 98 - 24 - 8540/3.6=6, 10444/2.3=3...(8) QE MET 21 - HD2 PRO 86 OK 23 98 - 24 - 8540/3.6=6, 10444/2.3=3...(8) HB2 LEU 64 - HD3 PRO 86 OK 19 96 - 20 - 3841/2.3=2, ~2820=2...(11) HB2 LEU 64 - HD2 PRO 86 OK 19 95 - 20 - 3841/2.3=2, ~2820=2...(10) HG3 GLU 37 - HD3 PRO 86 lone 7 99 - 7 - HG3 GLU 37 - HD2 PRO 86 lone 7 99 - 7 - HB2 GLU 23 - HD3 PRO 86 poor 7 65 - 10 - 9870/4.9=2, 4.6/9851=2 HB2 GLU 23 - HD2 PRO 86 poor 7 65 - 10 - 9870/4.9=2, 4.6/9851=2 HG3 GLU 104 - HD3 PRO 86 lone 4 97 - 4 - HG3 GLU 104 - HD2 PRO 86 lone 4 97 - 4 - HB3 GLU 62 - HD3 PRO 86 lone 2 73 - 3 - HB3 GLU 62 - HD2 PRO 86 lone 2 73 - 3 - Peak 3802 from cnoeabs.peaks (1.69, 3.98, 50.67 ppm; 3.58 A): 2 out of 40 assignments used, quality = 1.00: * HG2 PRO 86 + HD3 PRO 86 OK 100 100 - 100 - 2.3=100 HG2 PRO 86 + HD2 PRO 86 OK 100 100 - 100 - 2.3=100 HD3 LYS 90 - HD3 PRO 86 OK 30 99 - 30 - ~12334=7, 10315/4.9=6...(10) HD3 LYS 90 - HD2 PRO 86 OK 30 99 - 30 - ~12334=7, 10315/4.9=6...(10) HD3 LYS 66 - HD3 PRO 86 OK 29 94 - 31 - 2942/3.6=5, ~12288=4...(11) HD3 LYS 66 - HD2 PRO 86 OK 29 94 - 31 - 2942/3.6=5, ~12288=4...(11) HG LEU 70 - HD3 PRO 86 OK 24 98 - 24 - ~10278=3, 3837=2...(12) HG LEU 70 - HD2 PRO 86 OK 24 98 - 24 - ~10278=3, 3837=2...(12) HB3 ARG 91 - HD3 PRO 86 OK 21 92 - 23 - 4.3/3806=2, 3826/3.0=2...(11) HB3 ARG 91 - HD2 PRO 86 OK 21 91 - 23 - 4.3/3798=2, 3826/3.0=2...(11) HB2 LEU 2 - HD3 PRO 86 OK 21 94 - 22 - ~9882=3, 3842/2.3=2...(9) HB2 LEU 2 - HD2 PRO 86 OK 21 94 - 22 - ~9882=3, 3842/2.3=2...(9) HD2 LYS 24 - HD3 PRO 86 OK 20 100 - 20 - 3818/3.0=2, 3826/3.0=2...(9) HD2 LYS 24 - HD2 PRO 86 OK 20 100 - 20 - 3818/3.0=2, 3826/3.0=2...(9) HD3 LYS 24 - HD3 PRO 86 OK 20 99 - 20 - 3818/3.0=2, 3826/3.0=2...(9) HD3 LYS 24 - HD2 PRO 86 OK 20 99 - 20 - 3818/3.0=2, 3826/3.0=2...(9) HD2 LYS 13 - HD3 PRO 86 OK 11 96 - 11 - HD2 LYS 13 - HD2 PRO 86 OK 11 95 - 11 - HD3 LYS 13 - HD3 PRO 86 OK 10 92 - 11 - HD3 LYS 13 - HD2 PRO 86 OK 10 91 - 11 - HD2 LYS 12 - HD3 PRO 86 lone 8 96 - 8 - 10315/4.9=2 HD3 LYS 12 - HD3 PRO 86 lone 8 96 - 8 - 10315/4.9=2 HD3 LYS 12 - HD2 PRO 86 lone 8 95 - 8 - 10315/4.9=2 HD2 LYS 12 - HD2 PRO 86 lone 8 95 - 8 - 10315/4.9=2 HB3 LYS 53 - HD3 PRO 86 lone 7 97 - 8 - 9203/3.8=2 HB3 LYS 53 - HD2 PRO 86 lone 7 97 - 8 - 9203/3.8=2 HD3 LYS 47 - HD3 PRO 86 lone 7 90 - 8 - HD3 LYS 47 - HD2 PRO 86 lone 7 89 - 8 - HG12 ILE 15 - HD3 PRO 86 lone 7 100 - 7 - 10315/4.9=1 HG12 ILE 15 - HD2 PRO 86 lone 7 100 - 7 - 10315/4.9=1 HD2 LYS 47 - HD3 PRO 86 lone 7 87 - 7 - HD2 LYS 47 - HD2 PRO 86 lone 7 86 - 7 - HB3 LYS 40 - HD3 PRO 86 lone 4 94 - 4 - HB3 LYS 40 - HD2 PRO 86 lone 4 94 - 4 - HD2 LYS 20 - HD3 PRO 86 lone 3 77 - 4 - HD2 LYS 20 - HD2 PRO 86 lone 3 77 - 4 - HG3 LYS 20 - HD3 PRO 86 lone 3 65 - 4 - 903/4.8=1 HG3 LYS 20 - HD2 PRO 86 lone 3 65 - 4 - 903/4.8=1 HD3 LYS 20 - HD3 PRO 86 lone 2 65 - 3 - HD3 LYS 20 - HD2 PRO 86 lone 2 65 - 3 - Peak 3803 from cnoeabs.peaks (2.19, 3.98, 50.67 ppm; 3.39 A): 2 out of 16 assignments used, quality = 1.00: * HG3 PRO 86 + HD3 PRO 86 OK 100 100 - 100 - 2.3=100 HG3 PRO 86 + HD2 PRO 86 OK 100 100 - 100 - 2.3=100 HB3 GLU 75 - HD3 PRO 86 OK 29 98 - 30 - 3827/3.0=4, 3845=4...(10) HB3 GLU 75 - HD2 PRO 86 OK 29 98 - 30 - 3827/3.0=4, 3845=4...(10) HG2 MET 1 - HD3 PRO 86 OK 17 100 - 18 - ~12333=4, 3819/3.0=3...(6) HG2 MET 1 - HD2 PRO 86 OK 17 100 - 18 - ~12333=4, 3819/3.0=3...(6) HG2 GLU 35 - HD3 PRO 86 OK 14 100 - 14 - 3819/3.0=2, 3827/3.0=2...(7) HG3 GLU 35 - HD3 PRO 86 OK 14 100 - 14 - 3819/3.0=2, 3827/3.0=2...(7) HG2 GLU 35 - HD2 PRO 86 OK 14 100 - 14 - 3819/3.0=2, 3827/3.0=2...(7) HG3 GLU 35 - HD2 PRO 86 OK 14 100 - 14 - 3819/3.0=2, 3827/3.0=2...(7) HB2 GLU 63 - HD3 PRO 86 OK 12 100 - 12 - 3819/3.0=2, 3827/3.0=2...(6) HB2 GLU 63 - HD2 PRO 86 OK 12 100 - 12 - 3819/3.0=2, 3827/3.0=2...(6) HG2 GLU 43 - HD3 PRO 86 lone 5 97 - 5 - HG2 GLU 43 - HD2 PRO 86 lone 5 97 - 5 - HB2 GLU 95 - HD3 PRO 86 lone 5 94 - 5 - HB2 GLU 95 - HD2 PRO 86 lone 5 94 - 5 - Peak 3804 from cnoeabs.peaks (3.98, 3.98, 50.67 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 86 + HD3 PRO 86 OK 100 100 - 100 HD2 PRO 86 + HD2 PRO 86 OK 100 100 - 100 Reference assignment not found: HD2 PRO 86 - HD3 PRO 86 Peak 3805 from cnoeabs.peaks (3.98, 3.98, 50.67 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 86 + HD3 PRO 86 OK 100 100 - 100 HD2 PRO 86 + HD2 PRO 86 OK 100 100 - 100 Peak 3806 from cnoeabs.peaks (8.13, 3.98, 50.67 ppm; 4.18 A): 4 out of 6 assignments used, quality = 0.99: * H ASP 87 + HD3 PRO 86 OK 80 100 - 80 - 7382=23, 7382/1.8=20...(14) H ASP 87 + HD2 PRO 86 OK 80 100 - 80 - 7382=23, 7382/1.8=20...(14) H TRP 92 + HD3 PRO 86 OK 46 99 - 47 - 3830/3.0=9, 3822/3.0=8...(9) H TRP 92 + HD2 PRO 86 OK 46 99 - 47 - 3830/3.0=9, 3822/3.0=8...(9) H GLY 100 - HD3 PRO 86 OK 29 97 - 30 - 7618/4.9=5, 3822/3.0=5...(8) H GLY 100 - HD2 PRO 86 OK 29 97 - 30 - 7618/4.9=5, 3822/3.0=5...(8) Peak 3807 from cnoeabs.peaks (4.09, 4.09, 65.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 86 + HA PRO 86 OK 100 100 - 100 Peak 3808 from cnoeabs.peaks (2.12, 4.09, 65.04 ppm; 3.24 A): 2 out of 11 assignments used, quality = 1.00: * HB2 PRO 86 + HA PRO 86 OK 100 100 - 100 - 2.3=100 HB3 PRO 86 + HA PRO 86 OK 77 77 - 100 - 2.3=100 HB2 GLU 69 - HA PRO 86 OK 26 97 - 27 - 3094=5, 1.8/3094=4...(9) HB3 GLU 69 - HA PRO 86 OK 26 97 - 27 - 3094=5, 1.8/3094=4...(9) HB VAL 83 - HA PRO 86 OK 17 97 - 18 - 2.1/9823=5, ~3756=2...(8) HG2 GLU 69 - HA PRO 86 OK 16 97 - 16 - 3.0/3094=3, 3.0/3102=3...(6) HB2 LEU 64 - HA PRO 86 OK 13 97 - 14 - ~2820=2, ~10957=1...(6) HB2 GLU 75 - HA PRO 86 OK 13 73 - 18 - 1.8/3811=3, ~3827=3...(5) HB3 GLU 37 - HA PRO 86 lone 4 98 - 4 - HG3 GLU 37 - HA PRO 86 lone 3 92 - 3 - HG2 GLU 44 - HA PRO 86 lone 1 77 - 2 - Peak 3809 from cnoeabs.peaks (2.10, 4.09, 65.04 ppm; 3.32 A): 2 out of 9 assignments used, quality = 1.00: * HB3 PRO 86 + HA PRO 86 OK 100 100 - 100 - 2.3=100 HB2 PRO 86 + HA PRO 86 OK 77 77 - 100 - 2.3=100 HB VAL 83 - HA PRO 86 OK 19 96 - 20 - 2.1/9823=5, ~3756=2...(8) QE MET 21 - HA PRO 86 OK 19 98 - 19 - 8540=3, 7378/3.5=2...(7) HB2 LEU 64 - HA PRO 86 OK 15 96 - 16 - ~2820=2, ~10957=2...(8) HG3 GLU 37 - HA PRO 86 lone 4 99 - 4 - HB2 GLU 23 - HA PRO 86 lone 4 65 - 6 - 4.6/9853=2 HG3 GLU 104 - HA PRO 86 lone 3 97 - 3 - HB3 GLU 62 - HA PRO 86 lone 2 73 - 2 - Peak 3810 from cnoeabs.peaks (1.69, 4.09, 65.04 ppm; 4.23 A): 2 out of 20 assignments used, quality = 1.00: * HG2 PRO 86 + HA PRO 86 OK 100 100 - 100 - 3.8=100 HD3 LYS 66 + HA PRO 86 OK 46 94 - 49 - 1.8/2931=8, 2942=8...(19) HD3 LYS 90 - HA PRO 86 OK 44 99 - 44 - ~12334=13, 6.1/9852=10...(13) HD2 LYS 24 - HA PRO 86 OK 33 100 - 33 - 3.0/1096=4, 3.0/1085=3...(15) HD3 LYS 24 - HA PRO 86 OK 33 99 - 33 - 3.0/1096=4, 3.0/1085=3...(15) HG LEU 70 - HA PRO 86 OK 31 98 - 31 - ~10278=5, 4.9/7139=4...(11) HB3 ARG 91 - HA PRO 86 OK 25 92 - 28 - 4.3/3814=6, 4043/3.5=5...(8) HB2 LEU 2 - HA PRO 86 OK 21 94 - 22 - ~9882=5, 1.8/9880=3...(6) HD2 LYS 13 - HA PRO 86 OK 17 96 - 18 - 3.6/9894=2, 3.6/9894=2...(6) HD3 LYS 13 - HA PRO 86 OK 16 92 - 17 - 3.6/9894=2, 3.6/9894=2...(6) HD3 LYS 47 - HA PRO 86 OK 16 90 - 18 - 3.0/12306=3, 3.0/12306=3...(5) HD2 LYS 47 - HA PRO 86 OK 15 87 - 17 - 3.0/12306=3, 3.0/12306=3...(4) HD3 LYS 12 - HA PRO 86 OK 11 96 - 12 - HD2 LYS 12 - HA PRO 86 OK 11 96 - 12 - HG12 ILE 15 - HA PRO 86 lone 9 100 - 9 - 3979/9852=1, 3826/2.3=1 HB3 LYS 53 - HA PRO 86 lone 8 97 - 8 - 9203/4.8=2, 3818/2.3=1 HD2 LYS 20 - HA PRO 86 lone 5 77 - 6 - 3.5/9894=2 HB3 LYS 40 - HA PRO 86 lone 4 94 - 5 - HD3 LYS 20 - HA PRO 86 lone 4 65 - 5 - 3.5/9894=2 HG3 LYS 20 - HA PRO 86 lone 3 65 - 5 - 3.0/9894=2 Peak 3811 from cnoeabs.peaks (2.19, 4.09, 65.04 ppm; 4.21 A): 1 out of 8 assignments used, quality = 1.00: * HG3 PRO 86 + HA PRO 86 OK 100 100 - 100 - 3.8=100 HB3 GLU 75 - HA PRO 86 OK 35 98 - 36 - 3827/2.3=6, 3819/2.3=6...(11) HG2 MET 1 - HA PRO 86 OK 25 100 - 25 - ~12333=8, 3819/2.3=4...(8) HG2 GLU 35 - HA PRO 86 OK 19 100 - 19 - 3819/2.3=4, 3827/2.3=4...(8) HG3 GLU 35 - HA PRO 86 OK 19 100 - 19 - 3819/2.3=4, 3827/2.3=4...(8) HB2 GLU 63 - HA PRO 86 OK 15 100 - 15 - 3819/2.3=3, 3827/2.3=3...(5) HG2 GLU 43 - HA PRO 86 lone 7 97 - 6 - 3819/2.3=1, 3827/2.3=1 HB2 GLU 95 - HA PRO 86 lone 6 94 - 6 - 3819/2.3=1, 3827/2.3=1 Peak 3812 from cnoeabs.peaks (3.98, 4.09, 65.04 ppm; 4.16 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 86 + HA PRO 86 OK 100 100 - 100 - 3.6=100 HD3 PRO 86 + HA PRO 86 OK 100 100 - 100 - 3.6=100 HA GLU 69 - HA PRO 86 OK 22 65 - 34 - 3.0/7119=6, 3.6/7139=5...(13) HB3 SER 97 - HA PRO 86 lone 9 97 - 9 - 3828/2.3=2, 3820/2.3=2 Peak 3813 from cnoeabs.peaks (3.98, 4.09, 65.04 ppm; 4.16 A): 2 out of 4 assignments used, quality = 1.00: * HD3 PRO 86 + HA PRO 86 OK 100 100 - 100 - 3.6=100 HD2 PRO 86 + HA PRO 86 OK 100 100 - 100 - 3.6=100 HA GLU 69 - HA PRO 86 OK 21 61 - 34 - 3.0/7119=6, 3.6/7139=5...(13) HB3 SER 97 - HA PRO 86 lone 9 96 - 9 - 3828/2.3=2, 3820/2.3=2 Peak 3814 from cnoeabs.peaks (8.13, 4.09, 65.04 ppm; 5.02 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 87 + HA PRO 86 OK 100 100 - 100 - 3.5=100 H TRP 92 + HA PRO 86 OK 61 99 - 62 - 3830/2.3=13, 3822/2.3=12...(15) H GLY 100 - HA PRO 86 OK 33 97 - 34 - 3822/2.3=7, 3830/2.3=7...(9) Peak 3815 from cnoeabs.peaks (4.09, 2.12, 31.71 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 86 + HB2 PRO 86 OK 100 100 - 100 - 2.3=100 HA LYS 66 - HB2 PRO 86 OK 34 87 - 40 - 3823/1.8=6, 2883=5...(19) HA LYS 24 - HB2 PRO 86 OK 32 90 - 36 - 3823/1.8=7, 7376/3.9=4...(13) HA ARG 46 - HB2 PRO 86 poor 8 73 - 10 - 3823/1.8=2, ~9852=1, 2882=1 Peak 3816 from cnoeabs.peaks (2.12, 2.12, 31.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 86 + HB2 PRO 86 OK 100 100 - 100 Peak 3817 from cnoeabs.peaks (2.10, 2.12, 31.71 ppm; diagonal): 1 out of 1 assignment used, quality = 0.77: HB2 PRO 86 + HB2 PRO 86 OK 77 77 - 100 Reference assignment not found: HB3 PRO 86 - HB2 PRO 86 Peak 3818 from cnoeabs.peaks (1.69, 2.12, 31.71 ppm; 3.73 A): 2 out of 20 assignments used, quality = 1.00: * HG2 PRO 86 + HB2 PRO 86 OK 100 100 - 100 - 2.3=100 HD3 LYS 66 + HB2 PRO 86 OK 47 94 - 50 - 2942/2.3=7, ~12288=5...(26) HD3 LYS 90 - HB2 PRO 86 OK 37 99 - 38 - 3.0/12334=12, 5.2/9886=5...(14) HG LEU 70 - HB2 PRO 86 OK 31 98 - 32 - ~10278=4, 3.0/10275=3...(16) HB3 ARG 91 - HB2 PRO 86 OK 31 92 - 34 - 10313/4.9=6, 4.3/3822=5...(10) HD2 LYS 24 - HB2 PRO 86 OK 31 100 - 31 - 4.9/3815=3, 3826/1.8=3...(15) HD3 LYS 24 - HB2 PRO 86 OK 31 99 - 31 - 4.9/3815=3, 3826/1.8=3...(15) HB2 LEU 2 - HB2 PRO 86 OK 24 94 - 26 - 1.8/9882=5, 3842/2.3=2...(10) HD2 LYS 13 - HB2 PRO 86 OK 13 96 - 14 - 2.9/12335=1, 2.9/12335=1...(4) HD3 LYS 13 - HB2 PRO 86 OK 13 92 - 14 - 2.9/12335=1, 2.9/12335=1 HD3 LYS 47 - HB2 PRO 86 OK 12 90 - 13 - ~12306=1, 10313/4.9=1...(4) HD2 LYS 47 - HB2 PRO 86 OK 11 87 - 13 - ~12306=1, 10313/4.9=1...(4) HB3 LYS 53 - HB2 PRO 86 OK 11 97 - 11 - 3.6/10958=3, 2411/10958=1 HD2 LYS 12 - HB2 PRO 86 poor 10 96 - 10 - HD3 LYS 12 - HB2 PRO 86 poor 10 96 - 10 - HG12 ILE 15 - HB2 PRO 86 lone 8 100 - 8 - 3987/12334=1 HB3 LYS 40 - HB2 PRO 86 lone 5 94 - 6 - HD2 LYS 20 - HB2 PRO 86 lone 4 77 - 5 - HG3 LYS 20 - HB2 PRO 86 lone 3 65 - 5 - HD3 LYS 20 - HB2 PRO 86 lone 3 65 - 4 - Peak 3819 from cnoeabs.peaks (2.19, 2.12, 31.71 ppm; 3.31 A): 1 out of 8 assignments used, quality = 1.00: * HG3 PRO 86 + HB2 PRO 86 OK 100 100 - 100 - 2.3=100 HB3 GLU 75 - HB2 PRO 86 OK 28 98 - 28 - 3827/1.8=5, 3811/2.3=3...(11) HG2 MET 1 - HB2 PRO 86 OK 21 100 - 21 - 1.8/12333=6, 3827/1.8=3...(9) HG2 GLU 35 - HB2 PRO 86 OK 17 100 - 17 - 3827/1.8=3, 3835/2.3=2...(7) HG3 GLU 35 - HB2 PRO 86 OK 17 100 - 17 - 3827/1.8=3, 3835/2.3=2...(7) HB2 GLU 63 - HB2 PRO 86 OK 13 100 - 13 - 3827/1.8=2, 3811/2.3=1...(6) HG2 GLU 43 - HB2 PRO 86 lone 5 97 - 5 - HB2 GLU 95 - HB2 PRO 86 lone 5 94 - 5 - Peak 3820 from cnoeabs.peaks (3.98, 2.12, 31.71 ppm; 3.92 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 86 + HB2 PRO 86 OK 100 100 - 100 - 3.0=100 HD3 PRO 86 + HB2 PRO 86 OK 100 100 - 100 - 3.0=100 HA GLU 69 - HB2 PRO 86 OK 22 65 - 33 - ~7119=4, 3828/1.8=3...(15) HB3 SER 97 - HB2 PRO 86 OK 10 97 - 10 - 3828/1.8=2, 3812/2.3=1...(7) Peak 3821 from cnoeabs.peaks (3.98, 2.12, 31.71 ppm; 3.92 A): 2 out of 4 assignments used, quality = 1.00: * HD3 PRO 86 + HB2 PRO 86 OK 100 100 - 100 - 3.0=100 HD2 PRO 86 + HB2 PRO 86 OK 100 100 - 100 - 3.0=100 HA GLU 69 - HB2 PRO 86 OK 20 61 - 33 - ~7119=4, 3828/1.8=3...(14) HB3 SER 97 - HB2 PRO 86 lone 10 96 - 10 - 3828/1.8=2, 3812/2.3=1...(7) Peak 3822 from cnoeabs.peaks (8.13, 2.12, 31.71 ppm; 4.35 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 87 + HB2 PRO 86 OK 100 100 - 100 - 3.9=100 H TRP 92 + HB2 PRO 86 OK 50 99 - 51 - 3830/1.8=12, 3814/2.3=9...(11) H GLY 100 - HB2 PRO 86 OK 28 97 - 29 - 3830/1.8=6, 3814/2.3=5...(8) Peak 3823 from cnoeabs.peaks (4.09, 2.10, 31.71 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 86 + HB3 PRO 86 OK 100 100 - 100 - 2.3=100 HA LYS 24 - HB3 PRO 86 OK 32 90 - 36 - 3815/1.8=7, 7376/3.9=4...(12) HA LYS 66 - HB3 PRO 86 OK 28 87 - 32 - 3815/1.8=7, 3831/2.3=3...(16) HA ARG 46 - HB3 PRO 86 lone 7 73 - 9 - 3815/1.8=2, ~9852=1 Peak 3824 from cnoeabs.peaks (2.12, 2.10, 31.71 ppm; diagonal): 1 out of 1 assignment used, quality = 0.77: HB3 PRO 86 + HB3 PRO 86 OK 77 77 - 100 Reference assignment not found: HB2 PRO 86 - HB3 PRO 86 Peak 3825 from cnoeabs.peaks (2.10, 2.10, 31.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 86 + HB3 PRO 86 OK 100 100 - 100 Peak 3826 from cnoeabs.peaks (1.69, 2.10, 31.71 ppm; 3.74 A): 2 out of 20 assignments used, quality = 1.00: * HG2 PRO 86 + HB3 PRO 86 OK 100 100 - 100 - 2.3=100 HD3 LYS 66 + HB3 PRO 86 OK 45 94 - 48 - 2942/2.3=7, 1.8/12288=7...(24) HD3 LYS 90 - HB3 PRO 86 OK 38 99 - 39 - ~12334=10, 3818/1.8=3...(16) HB3 ARG 91 - HB3 PRO 86 OK 33 92 - 36 - 10313/4.9=6, 4.3/3830=5...(11) HD2 LYS 24 - HB3 PRO 86 OK 30 100 - 31 - 4.9/3823=3, 3818/1.8=3...(15) HD3 LYS 24 - HB3 PRO 86 OK 30 99 - 31 - 4.9/3823=3, 3818/1.8=3...(15) HG LEU 70 - HB3 PRO 86 OK 30 98 - 30 - 2.1/10278=4, 3833=3...(14) HB2 LEU 2 - HB3 PRO 86 OK 24 94 - 26 - ~9882=4, 3842/2.3=2...(10) HD2 LYS 13 - HB3 PRO 86 OK 14 96 - 15 - 6.0/10953=2, 3818/1.8=1...(4) HD3 LYS 13 - HB3 PRO 86 OK 13 92 - 15 - 6.0/10953=2, ~12335=1 HG12 ILE 15 - HB3 PRO 86 OK 12 100 - 12 - 4.6/10953=5 HD3 LYS 47 - HB3 PRO 86 OK 11 90 - 12 - ~12306=1, 10313/4.9=1 HD2 LYS 47 - HB3 PRO 86 OK 11 87 - 12 - ~12306=1, 10313/4.9=1 HD2 LYS 12 - HB3 PRO 86 poor 10 96 - 10 - HD3 LYS 12 - HB3 PRO 86 poor 10 96 - 10 - HB3 LYS 53 - HB3 PRO 86 lone 8 97 - 8 - HB3 LYS 40 - HB3 PRO 86 lone 6 94 - 7 - 4.3/8880=1 HD2 LYS 20 - HB3 PRO 86 lone 4 77 - 6 - HG3 LYS 20 - HB3 PRO 86 lone 4 65 - 6 - HD3 LYS 20 - HB3 PRO 86 lone 3 65 - 5 - Peak 3827 from cnoeabs.peaks (2.19, 2.10, 31.71 ppm; 3.26 A): 1 out of 8 assignments used, quality = 1.00: * HG3 PRO 86 + HB3 PRO 86 OK 100 100 - 100 - 2.3=100 HB3 GLU 75 - HB3 PRO 86 OK 30 98 - 31 - 3819/1.8=5, 3841=4...(12) HG2 MET 1 - HB3 PRO 86 OK 19 100 - 20 - ~12333=5, 3819/1.8=3...(9) HG2 GLU 35 - HB3 PRO 86 OK 17 100 - 17 - 3819/1.8=3, 3835/2.3=2...(7) HG3 GLU 35 - HB3 PRO 86 OK 17 100 - 17 - 3819/1.8=3, 3835/2.3=2...(7) HB2 GLU 63 - HB3 PRO 86 OK 13 100 - 13 - 3819/1.8=2, 3811/2.3=1...(6) HG2 GLU 43 - HB3 PRO 86 lone 5 97 - 5 - HB2 GLU 95 - HB3 PRO 86 lone 5 94 - 5 - Peak 3828 from cnoeabs.peaks (3.98, 2.10, 31.71 ppm; 3.99 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 86 + HB3 PRO 86 OK 100 100 - 100 - 3.0=100 HD3 PRO 86 + HB3 PRO 86 OK 100 100 - 100 - 3.0=100 HA GLU 69 - HB3 PRO 86 OK 22 65 - 33 - ~7119=4, 3820/1.8=4...(15) HB3 SER 97 - HB3 PRO 86 OK 10 97 - 10 - 3820/1.8=2, 3812/2.3=1...(7) Peak 3829 from cnoeabs.peaks (3.98, 2.10, 31.71 ppm; 3.99 A): 2 out of 4 assignments used, quality = 1.00: * HD3 PRO 86 + HB3 PRO 86 OK 100 100 - 100 - 3.0=100 HD2 PRO 86 + HB3 PRO 86 OK 100 100 - 100 - 3.0=100 HA GLU 69 - HB3 PRO 86 OK 20 61 - 33 - ~7119=4, 3820/1.8=4...(15) HB3 SER 97 - HB3 PRO 86 OK 10 96 - 10 - 3820/1.8=2, 3812/2.3=1...(7) Peak 3830 from cnoeabs.peaks (8.13, 2.10, 31.71 ppm; 4.38 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 87 + HB3 PRO 86 OK 100 100 - 100 - 3.9=100 H TRP 92 + HB3 PRO 86 OK 57 99 - 57 - 3822/1.8=11, 3814/2.3=9...(19) H GLY 100 - HB3 PRO 86 OK 28 97 - 29 - 3822/1.8=6, 3814/2.3=5...(7) Peak 3831 from cnoeabs.peaks (4.09, 1.69, 27.30 ppm; 4.35 A): 1 out of 8 assignments used, quality = 1.00: * HA PRO 86 + HG2 PRO 86 OK 100 100 - 100 - 3.8=100 HA LYS 24 - HG2 PRO 86 OK 37 90 - 41 - 3823/2.3=8, 3815/2.3=8...(12) HA LYS 66 - HG2 PRO 86 OK 36 87 - 42 - 3815/2.3=9, 3823/2.3=7...(14) HA LYS 66 - HG LEU 70 OK 19 46 - 42 - 7139/4.9=8, ~9514=4...(16) HA PRO 86 - HG LEU 70 OK 19 61 - 31 - 7139/4.9=5, ~10278=5...(10) HA ARG 46 - HG2 PRO 86 poor 8 73 - 11 - 3815/2.3=2, 3823/2.3=2 HA ARG 46 - HG LEU 70 poor 4 37 - 10 - 7139/4.9=4 HA LYS 24 - HG LEU 70 lone 3 48 - 5 - Peak 3832 from cnoeabs.peaks (2.12, 1.69, 27.30 ppm; 3.73 A): 2 out of 22 assignments used, quality = 1.00: * HB2 PRO 86 + HG2 PRO 86 OK 100 100 - 100 - 2.3=100 HB3 PRO 86 + HG2 PRO 86 OK 77 77 - 100 - 2.3=100 HB3 GLU 69 - HG2 PRO 86 OK 41 97 - 42 - 10802=8, 1.8/10802=7...(22) HB2 GLU 69 - HG2 PRO 86 OK 41 97 - 42 - 10802=8, 1.8/10802=7...(22) HG2 GLU 69 - HG2 PRO 86 OK 27 97 - 28 - 3.0/10802=5, 3.0/10802=5...(10) HB2 GLU 75 - HG2 PRO 86 OK 21 73 - 29 - 1.8/3835=4, ~3827=3...(17) HB2 PRO 86 - HG LEU 70 OK 19 61 - 32 - ~10278=4, 3818=4...(15) HB2 LEU 64 - HG2 PRO 86 OK 17 97 - 18 - ~2820=3, ~10957=2...(9) HB3 GLU 69 - HG LEU 70 OK 16 55 - 30 - 3109/4.9=7, 10802=5...(10) HB2 GLU 69 - HG LEU 70 OK 16 55 - 30 - 3109/4.9=7, 10802=5...(10) HB3 GLU 37 - HG LEU 70 OK 15 57 - 26 - 8840/2.1=4, 8840/2.1=4...(13) HB VAL 83 - HG2 PRO 86 OK 14 97 - 14 - ~3756=2, ~3750=2...(7) HG2 GLU 69 - HG LEU 70 OK 13 55 - 24 - 3116/4.9=8, 3.0/10802=3...(9) HG2 GLU 44 - HG LEU 70 OK 13 40 - 34 - ~8981=9, 1.8/10187=7...(12) HG3 GLU 37 - HG LEU 70 OK 11 50 - 22 - 8850/2.1=3, 8850/2.1=3...(11) HB3 PRO 86 - HG LEU 70 OK 10 40 - 26 - 1.8/3818=3, 2.3/3842=2...(13) HB3 GLU 37 - HG2 PRO 86 lone 9 98 - 9 - 3.0/1586=1 HG3 GLU 37 - HG2 PRO 86 lone 6 92 - 7 - HB VAL 83 - HG LEU 70 lone 5 55 - 10 - 9804/2.1=2, 9804/2.1=2...(4) HB2 GLU 75 - HG LEU 70 lone 3 37 - 7 - HG2 GLU 44 - HG2 PRO 86 lone 3 77 - 3 - HB2 LEU 64 - HG LEU 70 lone 2 55 - 4 - Peak 3833 from cnoeabs.peaks (2.10, 1.69, 27.30 ppm; 3.80 A): 2 out of 18 assignments used, quality = 1.00: * HB3 PRO 86 + HG2 PRO 86 OK 100 100 - 100 - 2.3=100 HB2 PRO 86 + HG2 PRO 86 OK 77 77 - 100 - 2.3=100 QE MET 21 - HG2 PRO 86 OK 21 98 - 22 - 8540/3.8=6, 3841/1.8=2...(8) HB2 LEU 64 - HG2 PRO 86 OK 19 96 - 20 - ~2820=3, 3841/1.8=3...(11) HB3 PRO 86 - HG LEU 70 OK 19 61 - 31 - 10278/2.1=4, 3826=3...(14) HB VAL 83 - HG2 PRO 86 OK 16 96 - 17 - ~3756=3, ~3750=2...(8) HG3 GLU 37 - HG LEU 70 OK 13 58 - 23 - 8850/2.1=3, 8850/2.1=3...(13) HB2 PRO 86 - HG LEU 70 OK 12 40 - 30 - ~10278=4, 1.8/3826=3...(14) HG3 GLU 37 - HG2 PRO 86 lone 8 99 - 8 - QE MET 21 - HG LEU 70 lone 5 57 - 10 - 10444/3.0=3, 10278/2.1=2 HB VAL 83 - HG LEU 70 lone 5 54 - 9 - 9804/2.1=2, 9804/2.1=2...(4) HB2 GLU 23 - HG2 PRO 86 lone 4 65 - 5 - HG3 GLU 104 - HG2 PRO 86 lone 4 97 - 4 - HB2 LEU 64 - HG LEU 70 lone 2 54 - 4 - HB3 GLU 62 - HG2 PRO 86 lone 2 73 - 3 - HB3 GLU 62 - HG LEU 70 lone 1 37 - 3 - HG3 GLU 104 - HG LEU 70 lone 1 55 - 1 - HB2 GLU 23 - HG LEU 70 lone 1 33 - 2 - Peak 3834 from cnoeabs.peaks (1.69, 1.69, 27.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 PRO 86 + HG2 PRO 86 OK 100 100 - 100 HG LEU 70 + HG LEU 70 OK 57 57 - 100 Peak 3835 from cnoeabs.peaks (2.19, 1.69, 27.30 ppm; 3.30 A): 1 out of 16 assignments used, quality = 1.00: * HG3 PRO 86 + HG2 PRO 86 OK 100 100 - 100 - 1.8=100 HB3 GLU 75 - HG2 PRO 86 OK 26 98 - 27 - 3827/2.3=5, 3819/2.3=4...(11) HG2 MET 1 - HG2 PRO 86 OK 20 100 - 20 - ~12333=4, 3819/2.3=3...(10) HG3 GLU 35 - HG2 PRO 86 OK 17 100 - 17 - 3819/2.3=3, 3827/2.3=3...(9) HG2 GLU 35 - HG2 PRO 86 OK 17 100 - 17 - 3819/2.3=3, 3827/2.3=3...(9) HG3 PRO 86 - HG LEU 70 OK 14 61 - 23 - 3842=3, ~10278=3...(11) HG2 GLU 35 - HG LEU 70 OK 13 60 - 22 - ~10278=3, 9548/2.1=2...(13) HG3 GLU 35 - HG LEU 70 OK 13 60 - 22 - ~10278=3, 9548/2.1=2...(13) HB2 GLU 63 - HG2 PRO 86 OK 11 100 - 11 - 3819/2.3=2, 3827/2.3=2...(5) HB2 GLU 95 - HG LEU 70 poor 7 52 - 14 - 4286/3.7=3, ~3167=2...(7) HG2 GLU 43 - HG LEU 70 poor 6 55 - 10 - ~10606=2, ~10608=2...(5) HG2 GLU 43 - HG2 PRO 86 lone 6 97 - 6 - HB2 GLU 95 - HG2 PRO 86 lone 5 94 - 5 - HB3 GLU 75 - HG LEU 70 lone 4 57 - 6 - HB2 GLU 63 - HG LEU 70 lone 3 60 - 5 - ~10746=1, ~10745=1 HG2 MET 1 - HG LEU 70 lone 2 60 - 4 - Peak 3836 from cnoeabs.peaks (3.98, 1.69, 27.30 ppm; 3.83 A): 2 out of 8 assignments used, quality = 1.00: * HD2 PRO 86 + HG2 PRO 86 OK 100 100 - 100 - 2.3=100 HD3 PRO 86 + HG2 PRO 86 OK 100 100 - 100 - 2.3=100 HA GLU 69 - HG2 PRO 86 OK 20 65 - 31 - 3.0/10802=5, 3.0/10802=5...(13) HD2 PRO 86 - HG LEU 70 OK 16 61 - 26 - ~10278=3, 2.3/3842=2...(13) HD3 PRO 86 - HG LEU 70 OK 16 60 - 26 - ~10278=3, 2.3/3842=2...(12) HB3 SER 97 - HG2 PRO 86 lone 9 97 - 8 - 3828/2.3=1, 3820/2.3=1...(5) HA GLU 69 - HG LEU 70 poor 8 33 - 25 - 7144/4.9=9, ~9535=4...(7) HB3 SER 97 - HG LEU 70 lone 1 55 - 2 - Peak 3837 from cnoeabs.peaks (3.98, 1.69, 27.30 ppm; 3.83 A): 2 out of 8 assignments used, quality = 1.00: * HD3 PRO 86 + HG2 PRO 86 OK 100 100 - 100 - 2.3=100 HD2 PRO 86 + HG2 PRO 86 OK 100 100 - 100 - 2.3=100 HA GLU 69 - HG2 PRO 86 OK 19 61 - 30 - 3.0/10802=5, 3.0/10802=5...(13) HD2 PRO 86 - HG LEU 70 OK 16 60 - 26 - ~10278=3, 2.3/3842=2...(12) HD3 PRO 86 - HG LEU 70 OK 16 61 - 26 - ~10278=3, 2.3/3842=2...(12) HB3 SER 97 - HG2 PRO 86 lone 8 96 - 8 - 3828/2.3=1, 3820/2.3=1...(5) HA GLU 69 - HG LEU 70 poor 7 30 - 25 - 3.6/7152=9, ~9535=4...(7) HB3 SER 97 - HG LEU 70 lone 1 54 - 2 - Peak 3838 from cnoeabs.peaks (8.13, 1.69, 27.30 ppm; 6.50 A): 3 out of 6 assignments used, quality = 0.97: * H ASP 87 + HG2 PRO 86 OK 83 100 - 83 - 7380/1.8=24, 7382/2.3=23...(14) H TRP 92 + HG2 PRO 86 OK 67 99 - 68 - 3830/2.3=15, 3822/2.3=14...(18) H GLY 100 + HG2 PRO 86 OK 40 97 - 41 - 3822/2.3=8, 3846/1.8=8...(7) H ASP 87 - HG LEU 70 OK 13 61 - 22 - 3.5/3831=4, 3.9/3818=3...(5) H TRP 92 - HG LEU 70 poor 7 58 - 12 - 8.7/10003=2, 7473/3157=1 H GLY 100 - HG LEU 70 poor 6 55 - 10 - ~9541=1 Peak 3839 from cnoeabs.peaks (4.09, 2.19, 27.30 ppm; 4.56 A): 1 out of 8 assignments used, quality = 1.00: * HA PRO 86 + HG3 PRO 86 OK 100 100 - 100 - 3.8=100 HA LYS 24 - HG3 PRO 86 OK 38 90 - 43 - 3823/2.3=9, 3815/2.3=8...(16) HA LYS 66 - HG3 PRO 86 OK 38 87 - 43 - 3815/2.3=9, 3823/2.3=8...(13) HA PRO 86 - HB3 GLU 75 OK 31 77 - 40 - 3811=8, 2.3/3827=7...(11) HA ARG 46 - HG3 PRO 86 lone 8 73 - 10 - 3815/2.3=2, 3823/2.3=2 HA LYS 24 - HB3 GLU 75 poor 7 63 - 11 - 1049/4.1=2, ~3387=1, ~3380=1 HA LYS 66 - HB3 GLU 75 lone 3 60 - 4 - HA ARG 46 - HB3 GLU 75 lone 1 49 - 3 - Peak 3840 from cnoeabs.peaks (2.12, 2.19, 27.30 ppm; 2.62 A): 3 out of 22 assignments used, quality = 1.00: * HB2 PRO 86 + HG3 PRO 86 OK 100 100 - 100 - 2.3=100 HB3 PRO 86 + HG3 PRO 86 OK 77 77 - 100 - 2.3=100 HB2 GLU 75 + HB3 GLU 75 OK 49 49 - 100 - 1.8=100 HB3 GLU 69 - HG3 PRO 86 OK 17 97 - 18 - 10802/1.8=3, ~10802=2...(5) HB2 GLU 69 - HG3 PRO 86 OK 17 97 - 18 - 10802/1.8=3, ~10802=2...(5) HB2 PRO 86 - HB3 GLU 75 OK 14 77 - 19 - 3819=3, 1.8/3827=3...(7) HB2 GLU 75 - HG3 PRO 86 OK 11 73 - 15 - 3384=2, ~3827=2...(5) HB2 LEU 64 - HG3 PRO 86 poor 10 97 - 10 - 3.9/7031=1, ~2820=1, 3.0/9888=1 HG2 GLU 69 - HG3 PRO 86 lone 10 97 - 10 - 3111/2.3=2, 3111/2.3=1, ~10802=1 HB3 PRO 86 - HB3 GLU 75 poor 9 52 - 17 - 1.8/3819=3, 3827=2...(8) HB3 GLU 69 - HB3 GLU 75 poor 9 71 - 12 - ~3382=1, 3096/2.9=1, 3.0/3389=1 HB2 GLU 69 - HB3 GLU 75 poor 9 71 - 12 - ~3382=1, 3096/2.9=1, 3.0/3389=1 HB VAL 83 - HG3 PRO 86 lone 6 97 - 7 - ~3756=1 HG2 GLU 69 - HB3 GLU 75 lone 6 71 - 8 - 3111/2.9=2 HB3 GLU 37 - HG3 PRO 86 lone 4 98 - 4 - HG3 GLU 37 - HG3 PRO 86 lone 2 92 - 2 - HB3 GLU 37 - HB3 GLU 75 lone 2 73 - 3 - HG2 GLU 44 - HG3 PRO 86 lone 1 77 - 1 - HG2 GLU 44 - HB3 GLU 75 lone 1 52 - 1 - HG3 GLU 37 - HB3 GLU 75 lone 1 65 - 1 - HB2 LEU 64 - HB3 GLU 75 lone 1 71 - 1 - HB VAL 83 - HB3 GLU 75 lone 0 71 - 1 - Peak 3841 from cnoeabs.peaks (2.10, 2.19, 27.30 ppm; 2.97 A): 2 out of 18 assignments used, quality = 1.00: * HB3 PRO 86 + HG3 PRO 86 OK 100 100 - 100 - 2.3=100 HB2 PRO 86 + HG3 PRO 86 OK 77 77 - 100 - 2.3=100 HB3 PRO 86 - HB3 GLU 75 OK 20 77 - 26 - 3827=5, 1.8/3819=4...(10) HB2 LEU 64 - HG3 PRO 86 OK 14 96 - 15 - 3.9/7031=2, 3.0/9888=2...(6) QE MET 21 - HG3 PRO 86 OK 12 98 - 12 - 8540/3.8=3, 10444/1.8=2 HB2 PRO 86 - HB3 GLU 75 OK 11 52 - 21 - 1.8/3827=4, 3819=3...(8) HB VAL 83 - HG3 PRO 86 poor 10 96 - 10 - ~3756=1, ~9812=1...(5) HG3 GLU 37 - HG3 PRO 86 lone 4 99 - 4 - HG3 GLU 104 - HG3 PRO 86 lone 2 97 - 2 - HB2 GLU 23 - HG3 PRO 86 lone 2 65 - 3 - QE MET 21 - HB3 GLU 75 lone 2 73 - 2 - 8538/4.1=1 HB3 GLU 62 - HG3 PRO 86 lone 2 73 - 2 - HB2 GLU 23 - HB3 GLU 75 lone 1 43 - 3 - HG3 GLU 37 - HB3 GLU 75 lone 1 74 - 1 - HB2 LEU 64 - HB3 GLU 75 lone 1 69 - 1 - HG3 GLU 104 - HB3 GLU 75 lone 1 71 - 1 - HB VAL 83 - HB3 GLU 75 lone 1 69 - 1 - HB3 GLU 62 - HB3 GLU 75 lone 0 49 - 1 - Peak 3842 from cnoeabs.peaks (1.69, 2.19, 27.30 ppm; 3.29 A): 1 out of 40 assignments used, quality = 1.00: * HG2 PRO 86 + HG3 PRO 86 OK 100 100 - 100 - 1.8=100 HD3 LYS 66 - HG3 PRO 86 OK 27 94 - 29 - 2942/3.8=4, 1.8/12289=4...(15) HD3 LYS 90 - HG3 PRO 86 OK 24 99 - 24 - ~12334=7, 5.2/9890=2...(9) HG LEU 70 - HG3 PRO 86 OK 22 98 - 23 - ~10278=3, 3835=3...(11) HG2 PRO 86 - HB3 GLU 75 OK 22 77 - 29 - 3835=5, 2.3/3827=5...(11) HB2 LEU 2 - HG3 PRO 86 OK 19 94 - 21 - ~9882=3, 3.1/8054=2...(8) HB3 ARG 91 - HG3 PRO 86 OK 18 92 - 20 - 4.3/3846=3, 3826/2.3=2...(7) HD2 LYS 24 - HG3 PRO 86 OK 16 100 - 16 - 3818/2.3=2, 3826/2.3=2...(7) HD3 LYS 24 - HG3 PRO 86 OK 16 99 - 16 - 3818/2.3=2, 3826/2.3=2...(7) HD2 LYS 13 - HG3 PRO 86 lone 8 96 - 8 - HB3 LYS 53 - HG3 PRO 86 lone 7 97 - 8 - 3.0/9888=1 HD3 LYS 13 - HG3 PRO 86 lone 7 92 - 8 - HD3 LYS 12 - HG3 PRO 86 lone 6 96 - 6 - HD2 LYS 12 - HG3 PRO 86 lone 6 96 - 6 - HD3 LYS 47 - HG3 PRO 86 lone 6 90 - 6 - HD2 LYS 47 - HG3 PRO 86 lone 5 87 - 6 - HG12 ILE 15 - HG3 PRO 86 lone 5 100 - 5 - HG LEU 70 - HB3 GLU 75 lone 5 73 - 7 - HB3 LYS 40 - HG3 PRO 86 lone 4 94 - 4 - HD2 LYS 20 - HG3 PRO 86 lone 2 77 - 3 - HD2 LYS 13 - HB3 GLU 75 lone 2 69 - 3 - HB2 LEU 2 - HB3 GLU 75 lone 2 67 - 3 - HD3 LYS 13 - HB3 GLU 75 lone 2 65 - 3 - HD3 LYS 20 - HG3 PRO 86 lone 2 65 - 3 - HD2 LYS 24 - HB3 GLU 75 lone 2 76 - 2 - HG3 LYS 20 - HG3 PRO 86 lone 2 65 - 3 - HD3 LYS 24 - HB3 GLU 75 lone 2 75 - 2 - HG12 ILE 15 - HB3 GLU 75 lone 2 77 - 2 - HD3 LYS 66 - HB3 GLU 75 lone 1 67 - 2 - HD3 LYS 12 - HB3 GLU 75 lone 1 69 - 2 - HD2 LYS 12 - HB3 GLU 75 lone 1 69 - 2 - HD3 LYS 90 - HB3 GLU 75 lone 1 75 - 2 - HB3 ARG 91 - HB3 GLU 75 lone 1 65 - 2 - HB3 LYS 53 - HB3 GLU 75 lone 1 71 - 1 - HB3 LYS 40 - HB3 GLU 75 lone 1 67 - 1 - HD3 LYS 47 - HB3 GLU 75 lone 1 63 - 1 - HD2 LYS 47 - HB3 GLU 75 lone 0 60 - 1 - HD2 LYS 20 - HB3 GLU 75 lone 0 52 - 1 - HG3 LYS 20 - HB3 GLU 75 lone 0 43 - 1 - HD3 LYS 20 - HB3 GLU 75 lone 0 43 - 1 - Peak 3843 from cnoeabs.peaks (2.19, 2.19, 27.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 86 + HG3 PRO 86 OK 100 100 - 100 HB3 GLU 75 + HB3 GLU 75 OK 73 73 - 100 Peak 3844 from cnoeabs.peaks (3.98, 2.19, 27.30 ppm; 3.37 A): 2 out of 8 assignments used, quality = 1.00: * HD2 PRO 86 + HG3 PRO 86 OK 100 100 - 100 - 2.3=100 HD3 PRO 86 + HG3 PRO 86 OK 100 100 - 100 - 2.3=100 HD2 PRO 86 - HB3 GLU 75 OK 22 77 - 28 - 3.0/3827=4, 3795=4...(10) HD3 PRO 86 - HB3 GLU 75 OK 22 77 - 28 - 3.0/3827=4, 3803=4...(10) HA GLU 69 - HG3 PRO 86 OK 13 65 - 20 - ~10802=2, 3820/2.3=2...(8) HB3 SER 97 - HG3 PRO 86 lone 7 97 - 7 - 3820/2.3=1, 3828/2.3=1, ~4353=1 HA GLU 69 - HB3 GLU 75 poor 5 43 - 12 - 7240/4.0=1, ~7132=1...(4) HB3 SER 97 - HB3 GLU 75 lone 1 71 - 1 - Peak 3845 from cnoeabs.peaks (3.98, 2.19, 27.30 ppm; 3.37 A): 2 out of 8 assignments used, quality = 1.00: * HD3 PRO 86 + HG3 PRO 86 OK 100 100 - 100 - 2.3=100 HD2 PRO 86 + HG3 PRO 86 OK 100 100 - 100 - 2.3=100 HD3 PRO 86 - HB3 GLU 75 OK 22 77 - 28 - 3.0/3827=4, 3803=4...(10) HD2 PRO 86 - HB3 GLU 75 OK 22 77 - 28 - 3.0/3827=4, 3795=4...(10) HA GLU 69 - HG3 PRO 86 OK 12 61 - 20 - ~10802=2, 3820/2.3=2...(8) HB3 SER 97 - HG3 PRO 86 lone 7 96 - 7 - 3820/2.3=1, 3828/2.3=1, ~4353=1 HA GLU 69 - HB3 GLU 75 poor 5 40 - 12 - ~7132=1, 7240/4.0=1, ~3376=1 HB3 SER 97 - HB3 GLU 75 lone 1 69 - 1 - Peak 3846 from cnoeabs.peaks (8.13, 2.19, 27.30 ppm; 4.87 A): 4 out of 6 assignments used, quality = 0.95: * H ASP 87 + HG3 PRO 86 OK 79 100 - 79 - 7380=24, 7382/2.3=22...(13) H TRP 92 + HG3 PRO 86 OK 53 99 - 54 - 3830/2.3=13, 3822/2.3=12...(12) H GLY 100 + HG3 PRO 86 OK 31 97 - 31 - 3822/2.3=7, 3830/2.3=6...(8) H ASP 87 + HB3 GLU 75 OK 24 77 - 31 - 7380=8, 3.9/3827=6...(7) H TRP 92 - HB3 GLU 75 lone 6 74 - 7 - H GLY 100 - HB3 GLU 75 lone 3 71 - 3 - Peak 3847 from cnoeabs.peaks (8.13, 4.22, 57.31 ppm; 3.58 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 87 + HA ASP 87 OK 100 100 - 100 - 2.9=100 H TRP 92 - HA ASP 87 OK 42 99 - 43 - 4.6/9963=12, 7453/9951=8...(12) H GLY 100 - HA ASP 87 OK 10 97 - 10 - 3822/4.9=2, 3830/4.9=2 Peak 3848 from cnoeabs.peaks (4.22, 4.22, 57.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 87 + HA ASP 87 OK 100 100 - 100 Peak 3849 from cnoeabs.peaks (2.50, 4.22, 57.31 ppm; 2.90 A): 2 out of 8 assignments used, quality = 0.99: * HB2 ASP 87 + HA ASP 87 OK 92 100 - 92 - 3.0=89, 7384/2.9=8...(7) HB3 ASP 87 + HA ASP 87 OK 92 100 - 92 - 3.0=89, 7384/2.9=8...(7) HD2 ARG 91 - HA ASP 87 OK 25 90 - 28 - 3.5/10313=5, 6.1/9963=4...(11) HG3 GLU 23 - HA ASP 87 lone 9 97 - 9 - 1048/3.6=4, 7384/2.9=1 HB2 ASP 36 - HA ASP 87 lone 6 96 - 6 - HB3 ASP 36 - HA ASP 87 lone 6 94 - 6 - HG3 GLU 63 - HA ASP 87 lone 1 65 - 2 - HB2 ASP 61 - HA ASP 87 lone 1 87 - 1 - Peak 3850 from cnoeabs.peaks (2.50, 4.22, 57.31 ppm; 2.90 A): 2 out of 8 assignments used, quality = 0.99: HB2 ASP 87 + HA ASP 87 OK 92 100 - 92 - 3.0=89, 7384/2.9=8...(7) * HB3 ASP 87 + HA ASP 87 OK 92 100 - 92 - 3.0=89, 7384/2.9=8...(7) HD2 ARG 91 - HA ASP 87 OK 25 90 - 28 - 3.5/10313=5, 6.1/9963=4...(11) HG3 GLU 23 - HA ASP 87 lone 9 97 - 9 - 1048/3.6=4, 7384/2.9=1 HB2 ASP 36 - HA ASP 87 lone 6 96 - 6 - HB3 ASP 36 - HA ASP 87 lone 6 94 - 6 - HG3 GLU 63 - HA ASP 87 lone 1 65 - 2 - HB2 ASP 61 - HA ASP 87 lone 1 87 - 1 - Peak 3851 from cnoeabs.peaks (7.57, 4.22, 57.31 ppm; 4.29 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 88 + HA ASP 87 OK 100 100 - 100 - 3.6=100 H LYS 24 - HA ASP 87 OK 45 100 - 45 - 7389=13, 7386/2.9=12...(13) H LEU 14 - HA ASP 87 OK 13 61 - 21 - ~9903=5, 7386/2.9=4...(6) H ILE 76 - HA ASP 87 OK 11 90 - 12 - 7386/2.9=4, 9856/4.9=2...(4) Peak 3852 from cnoeabs.peaks (8.13, 2.50, 40.10 ppm; 3.22 A): 4 out of 12 assignments used, quality = 0.94: * H ASP 87 + HB2 ASP 87 OK 71 100 - 71 - 4.0=51, 7385/1.8=14...(6) H ASP 87 + HB3 ASP 87 OK 71 100 - 71 - 4.0=51, 7385/1.8=14...(6) H TRP 92 + HB3 ASP 87 OK 17 99 - 18 - 3847/3.0=6, 7388/4.6=3...(5) H TRP 92 + HB2 ASP 87 OK 17 99 - 18 - 3847/3.0=6, 7388/4.6=3...(5) H ASP 87 - HB2 ASP 36 lone 5 70 - 6 - 7385=2, 7384/1.8=1 H ASP 87 - HB3 ASP 36 lone 4 62 - 6 - 7384=2, 7385/1.8=1 H GLY 100 - HB2 ASP 87 lone 4 97 - 4 - 3847/3.0=2 H GLY 100 - HB3 ASP 87 lone 4 97 - 4 - 3847/3.0=2 H TRP 92 - HB2 ASP 36 lone 1 67 - 2 - H TRP 92 - HB3 ASP 36 lone 1 59 - 2 - H GLY 100 - HB2 ASP 36 lone 0 64 - 1 - H GLY 100 - HB3 ASP 36 lone 0 57 - 1 - Peak 3853 from cnoeabs.peaks (4.22, 2.50, 40.10 ppm; 3.05 A): 2 out of 8 assignments used, quality = 1.00: * HA ASP 87 + HB2 ASP 87 OK 100 100 - 100 - 3.0=100 HA ASP 87 + HB3 ASP 87 OK 100 100 - 100 - 3.0=100 HA ASP 87 - HB2 ASP 36 lone 5 70 - 6 - 3850=1 HA ASP 87 - HB3 ASP 36 lone 4 62 - 6 - 3850=1 HB THR 31 - HB2 ASP 87 lone 1 70 - 1 - HB THR 31 - HB3 ASP 87 lone 1 70 - 1 - HB THR 31 - HB2 ASP 36 lone 0 41 - 0 - HB THR 31 - HB3 ASP 36 lone 0 36 - 0 - Peak 3854 from cnoeabs.peaks (2.50, 2.50, 40.10 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 ASP 87 + HB2 ASP 87 OK 100 100 - 100 HB3 ASP 87 + HB3 ASP 87 OK 100 100 - 100 HB2 ASP 36 + HB2 ASP 36 OK 62 62 - 100 HB3 ASP 36 + HB3 ASP 36 OK 54 54 - 100 Peak 3855 from cnoeabs.peaks (2.50, 2.50, 40.10 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 ASP 87 + HB2 ASP 87 OK 100 100 - 100 HB3 ASP 87 + HB3 ASP 87 OK 100 100 - 100 HB2 ASP 36 + HB2 ASP 36 OK 62 62 - 100 HB3 ASP 36 + HB3 ASP 36 OK 54 54 - 100 Reference assignment not found: HB3 ASP 87 - HB2 ASP 87 Peak 3856 from cnoeabs.peaks (7.57, 2.50, 40.10 ppm; 3.56 A): 4 out of 16 assignments used, quality = 0.94: * H GLU 88 + HB2 ASP 87 OK 66 100 - 66 - 4.6=46, 3.6/3849=11...(8) H GLU 88 + HB3 ASP 87 OK 66 100 - 66 - 4.6=46, 3.6/3849=11...(8) H LYS 24 + HB2 ASP 87 OK 27 100 - 27 - 7389/3.0=7, 7386/4.0=6...(8) H LYS 24 + HB3 ASP 87 OK 27 100 - 27 - 7389/3.0=7, 7386/4.0=6...(8) H GLU 88 - HB2 ASP 36 lone 6 70 - 9 - 8772/3.6=4, 7391=1, 7390/1.8=1 H LEU 14 - HB2 ASP 87 lone 6 61 - 9 - 7386/4.0=2, 3.0/9905=2...(4) H LEU 14 - HB3 ASP 87 lone 6 61 - 9 - 7386/4.0=2, 3.0/9905=2...(4) H ILE 76 - HB2 ASP 36 lone 6 56 - 10 - 8772/3.6=6, 9643/4.0=3 H GLU 88 - HB3 ASP 36 lone 5 62 - 9 - 8772/3.6=4, 7391=1, 7391/1.8=1 H ILE 76 - HB2 ASP 87 lone 5 90 - 6 - 7386/4.0=2, 3851/3.0=1 H ILE 76 - HB3 ASP 87 lone 5 90 - 6 - 7386/4.0=2, 3851/3.0=1 H ILE 76 - HB3 ASP 36 lone 5 50 - 10 - 8772/3.6=6, 9643/4.0=3 H LYS 24 - HB2 ASP 36 lone 2 69 - 3 - H LYS 24 - HB3 ASP 36 lone 2 62 - 3 - H LEU 14 - HB2 ASP 36 lone 1 36 - 4 - 8772/3.6=3 H LEU 14 - HB3 ASP 36 lone 1 31 - 4 - 8772/3.6=3 Peak 3857 from cnoeabs.peaks (8.13, 2.50, 40.10 ppm; 3.22 A): 4 out of 12 assignments used, quality = 0.94: H ASP 87 + HB2 ASP 87 OK 71 100 - 71 - 4.0=51, 7385/1.8=14...(6) * H ASP 87 + HB3 ASP 87 OK 71 100 - 71 - 4.0=51, 7385/1.8=14...(6) H TRP 92 + HB3 ASP 87 OK 17 99 - 18 - 3847/3.0=6, 7388/4.6=3...(5) H TRP 92 + HB2 ASP 87 OK 17 99 - 18 - 3847/3.0=6, 7388/4.6=3...(5) H ASP 87 - HB2 ASP 36 lone 5 70 - 6 - 7385=2, 7384/1.8=1 H ASP 87 - HB3 ASP 36 lone 4 62 - 6 - 7384=2, 7385/1.8=1 H GLY 100 - HB2 ASP 87 lone 4 97 - 4 - 3847/3.0=2 H GLY 100 - HB3 ASP 87 lone 4 97 - 4 - 3847/3.0=2 H TRP 92 - HB2 ASP 36 lone 1 67 - 2 - H TRP 92 - HB3 ASP 36 lone 1 59 - 2 - H GLY 100 - HB2 ASP 36 lone 0 64 - 1 - H GLY 100 - HB3 ASP 36 lone 0 57 - 1 - Peak 3858 from cnoeabs.peaks (4.22, 2.50, 40.10 ppm; 3.05 A): 2 out of 8 assignments used, quality = 1.00: HA ASP 87 + HB2 ASP 87 OK 100 100 - 100 - 3.0=100 * HA ASP 87 + HB3 ASP 87 OK 100 100 - 100 - 3.0=100 HA ASP 87 - HB2 ASP 36 lone 5 70 - 6 - 3850=1 HA ASP 87 - HB3 ASP 36 lone 4 62 - 6 - 3850=1 HB THR 31 - HB2 ASP 87 lone 1 70 - 1 - HB THR 31 - HB3 ASP 87 lone 1 70 - 1 - HB THR 31 - HB2 ASP 36 lone 0 41 - 0 - HB THR 31 - HB3 ASP 36 lone 0 36 - 0 - Peak 3859 from cnoeabs.peaks (2.50, 2.50, 40.10 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 ASP 87 + HB2 ASP 87 OK 100 100 - 100 HB3 ASP 87 + HB3 ASP 87 OK 100 100 - 100 HB2 ASP 36 + HB2 ASP 36 OK 62 62 - 100 HB3 ASP 36 + HB3 ASP 36 OK 54 54 - 100 Reference assignment not found: HB2 ASP 87 - HB3 ASP 87 Peak 3860 from cnoeabs.peaks (2.50, 2.50, 40.10 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 ASP 87 + HB2 ASP 87 OK 100 100 - 100 * HB3 ASP 87 + HB3 ASP 87 OK 100 100 - 100 HB2 ASP 36 + HB2 ASP 36 OK 62 62 - 100 HB3 ASP 36 + HB3 ASP 36 OK 54 54 - 100 Peak 3861 from cnoeabs.peaks (7.57, 2.50, 40.10 ppm; 3.56 A): 4 out of 16 assignments used, quality = 0.94: H GLU 88 + HB2 ASP 87 OK 66 100 - 66 - 4.6=46, 3.6/3849=11...(8) * H GLU 88 + HB3 ASP 87 OK 66 100 - 66 - 4.6=46, 3.6/3849=11...(8) H LYS 24 + HB2 ASP 87 OK 27 100 - 27 - 7389/3.0=7, 7386/4.0=6...(8) H LYS 24 + HB3 ASP 87 OK 27 100 - 27 - 7389/3.0=7, 7386/4.0=6...(8) H GLU 88 - HB2 ASP 36 lone 6 70 - 9 - 8772/3.6=4, 7391=1, 7390/1.8=1 H LEU 14 - HB2 ASP 87 lone 6 61 - 9 - 7386/4.0=2, 3.0/9905=2...(4) H LEU 14 - HB3 ASP 87 lone 6 61 - 9 - 7386/4.0=2, 3.0/9905=2...(4) H ILE 76 - HB2 ASP 36 lone 6 56 - 10 - 8772/3.6=6, 9643/4.0=3 H GLU 88 - HB3 ASP 36 lone 5 62 - 9 - 8772/3.6=4, 7391=1, 7391/1.8=1 H ILE 76 - HB2 ASP 87 lone 5 90 - 6 - 7386/4.0=2, 3851/3.0=1 H ILE 76 - HB3 ASP 87 lone 5 90 - 6 - 7386/4.0=2, 3851/3.0=1 H ILE 76 - HB3 ASP 36 lone 5 50 - 10 - 8772/3.6=6, 9643/4.0=3 H LYS 24 - HB2 ASP 36 lone 2 69 - 3 - H LYS 24 - HB3 ASP 36 lone 2 62 - 3 - H LEU 14 - HB2 ASP 36 lone 1 36 - 4 - 8772/3.6=3 H LEU 14 - HB3 ASP 36 lone 1 31 - 4 - 8772/3.6=3 Peak 3862 from cnoeabs.peaks (7.57, 3.66, 58.73 ppm; 3.50 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 88 + HA GLU 88 OK 100 100 - 100 - 3.0=100 H LYS 24 + HA GLU 88 OK 52 100 - 52 - 7392=11, 7400/3.6=9...(12) H ILE 76 - HA GLU 88 OK 17 90 - 19 - 4.5/9958=4, 3879/3.0=2...(7) H LEU 14 - HA GLU 88 poor 10 61 - 15 - 4.6/8393=3, 4.6/8393=3...(5) Peak 3863 from cnoeabs.peaks (3.66, 3.66, 58.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 88 + HA GLU 88 OK 100 100 - 100 Peak 3864 from cnoeabs.peaks (1.81, 3.66, 58.73 ppm; 3.60 A): 4 out of 8 assignments used, quality = 1.00: * HB2 GLU 88 + HA GLU 88 OK 100 100 - 100 - 3.0=100 HB2 LYS 90 + HA GLU 88 OK 74 100 - 75 - 3925=13, 4.1/3869=11...(30) HB ILE 93 + HA GLU 88 OK 46 98 - 47 - 4129=9, 3.2/10025=9...(17) HB2 GLU 104 + HA GLU 88 OK 45 100 - 46 - 3873=8, 3881/3.0=6...(17) HB2 LEU 42 - HA GLU 88 OK 14 100 - 14 - 7402/3.6=1, 3881/3.0=1 HB3 LEU 57 - HA GLU 88 OK 12 77 - 15 - 7402/3.6=2, 3.0/3870=1 HG2 ARG 46 - HA GLU 88 poor 9 73 - 13 - 3.6/3869=3, 3.0/3867=1 HB2 LYS 39 - HA GLU 88 lone 8 90 - 9 - Peak 3865 from cnoeabs.peaks (2.08, 3.66, 58.73 ppm; 3.39 A): 2 out of 10 assignments used, quality = 1.00: * HB3 GLU 88 + HA GLU 88 OK 100 100 - 100 - 3.0=100 HB2 GLU 23 + HA GLU 88 OK 53 94 - 57 - 1.8/3866=8, 1026/3.0=7...(25) HB3 GLU 35 - HA GLU 88 OK 17 100 - 17 - 3.0/9956=3, 3875/3.0=2...(7) HB3 LEU 38 - HA GLU 88 lone 10 99 - 10 - 3875/3.0=1 HB2 GLU 16 - HA GLU 88 lone 8 100 - 8 - HB3 GLU 43 - HA GLU 88 lone 7 84 - 8 - 3.0/9956=2 HB3 GLU 62 - HA GLU 88 lone 6 90 - 7 - 7403/3.6=1 HB2 MET 74 - HA GLU 88 lone 5 77 - 7 - HG3 GLU 28 - HA GLU 88 lone 1 81 - 1 - HG2 GLU 28 - HA GLU 88 lone 1 81 - 1 - Peak 3866 from cnoeabs.peaks (2.14, 3.66, 58.73 ppm; 3.58 A): 3 out of 10 assignments used, quality = 0.96: * HG2 GLU 88 + HA GLU 88 OK 88 100 - 88 - 4.2=62, 1.8/3894=22...(16) HB3 GLU 23 + HA GLU 88 OK 50 87 - 58 - 1.8/3865=10, 1034/3.0=7...(23) HG2 GLU 104 + HA GLU 88 OK 35 98 - 36 - 4537/3.0=6, 3883/3.0=6...(13) HB2 GLU 75 - HA GLU 88 OK 11 98 - 11 - 4.1/3862=2, 3387/3.0=2...(4) HB3 GLU 95 - HA GLU 88 lone 3 70 - 5 - HG2 GLU 44 - HA GLU 88 lone 3 97 - 3 - HB2 GLU 69 - HA GLU 88 lone 2 77 - 2 - HB3 GLU 69 - HA GLU 88 lone 2 77 - 2 - HG2 GLU 69 - HA GLU 88 lone 2 77 - 2 - HB3 GLU 37 - HA GLU 88 lone 1 73 - 2 - Peak 3867 from cnoeabs.peaks (1.94, 3.66, 58.73 ppm; 3.44 A): 5 out of 13 assignments used, quality = 0.91: * HG3 GLU 88 + HA GLU 88 OK 83 100 - 83 - 4.2=55, 1.8/3887=19...(15) HB2 LYS 24 + HA GLU 88 OK 20 61 - 33 - 4.0/3862=6, ~1049=3...(21) HB3 LYS 24 + HA GLU 88 OK 20 61 - 33 - 4.0/3862=6, ~1049=3...(21) HB3 LYS 20 + HA GLU 88 OK 12 94 - 13 - 4.6/8550=3, 3884/3.0=2...(4) HB VAL 32 + HA GLU 88 OK 11 100 - 11 - 10158/3.0=4, 3877/3.0=1...(5) HB3 LYS 47 - HA GLU 88 poor 9 61 - 15 - 4.0/3869=3, 3.0/3870=3...(4) HB3 ARG 46 - HA GLU 88 poor 9 73 - 12 - 4.7/3869=3, 4.5/3869=2 HB3 LYS 73 - HA GLU 88 lone 8 84 - 9 - 2.9/3870=2 HB2 LYS 73 - HA GLU 88 lone 7 81 - 9 - 2.9/3870=2 HB2 GLU 17 - HA GLU 88 lone 6 100 - 6 - 3884/3.0=1 HB3 MET 74 - HA GLU 88 lone 3 61 - 5 - HB3 ARG 19 - HA GLU 88 lone 3 81 - 4 - HB2 MET 1 - HA GLU 88 lone 3 100 - 3 - Peak 3868 from cnoeabs.peaks (7.42, 3.66, 58.73 ppm; 4.32 A): 2 out of 3 assignments used, quality = 1.00: * H ALA 89 + HA GLU 88 OK 100 100 - 100 - 3.6=100 HE3 TRP 92 + HA GLU 88 OK 48 98 - 49 - 3885/3.0=10, 3878/3.0=8...(14) HE22 GLN 72 - HA GLU 88 OK 12 73 - 16 - 3885/3.0=3, 3892/4.2=2...(7) Peak 3869 from cnoeabs.peaks (7.47, 3.66, 58.73 ppm; 4.17 A): 3 out of 5 assignments used, quality = 0.92: * H ARG 91 + HA GLU 88 OK 86 100 - 86 - 7429/3.6=31, 7428=23...(27) H LYS 47 + HA GLU 88 OK 27 100 - 27 - 7409/3.6=3, 4.9/3870=3...(13) HE ARG 46 + HA GLU 88 OK 19 100 - 19 - 7409/3.6=3, 11042/3.0=2...(6) HD22 ASN 26 - HA GLU 88 lone 6 100 - 6 - 7409/3.6=1 HE ARG 19 - HA GLU 88 lone 2 65 - 4 - Peak 3870 from cnoeabs.peaks (1.49, 3.66, 58.73 ppm; 3.50 A): 3 out of 11 assignments used, quality = 0.74: * HB2 ARG 91 + HA GLU 88 OK 64 100 - 64 - 4024=19, 3.9/3869=11...(13) HG2 LYS 47 + HA GLU 88 OK 16 99 - 16 - 4.9/3869=2, 3.0/4034=2...(5) HG3 LYS 13 + HA GLU 88 OK 14 90 - 16 - 3.0/8393=3, 3.0/8393=3...(5) HG2 LYS 73 - HA GLU 88 lone 8 98 - 8 - 2.9/3867=1, 2.9/3867=1 HG LEU 57 - HA GLU 88 lone 7 77 - 9 - HB3 LEU 64 - HA GLU 88 lone 7 99 - 7 - 3.0/10245=3 HG LEU 64 - HA GLU 88 lone 7 98 - 7 - 10245=3 HG2 LYS 66 - HA GLU 88 lone 6 99 - 6 - HG3 LYS 66 - HA GLU 88 lone 6 97 - 6 - HG3 LYS 53 - HA GLU 88 lone 2 65 - 3 - HG3 LYS 33 - HA GLU 88 lone 1 65 - 1 - Peak 3871 from cnoeabs.peaks (1.68, 3.66, 58.73 ppm; 3.56 A): 8 out of 22 assignments used, quality = 0.93: * HB3 ARG 91 + HA GLU 88 OK 65 100 - 65 - 1.8/4024=18, 4034=11...(13) HD3 LYS 90 + HA GLU 88 OK 36 81 - 45 - 3.6/3925=6, 2.9/3947=6...(20) HD2 LYS 24 + HA GLU 88 OK 20 84 - 24 - 6.3/3862=3, 3.6/3867=2...(11) HD3 LYS 47 + HA GLU 88 OK 19 100 - 19 - 4034=3, 3.0/3870=3...(4) HD2 LYS 47 + HA GLU 88 OK 19 100 - 19 - 4034=3, 3.0/3870=3...(4) HD3 LYS 24 + HA GLU 88 OK 19 81 - 24 - 6.3/3862=3, 3.6/3867=2...(11) HG2 PRO 86 + HA GLU 88 OK 19 92 - 21 - 3.8/9885=4, 2.3/9886=3...(7) HD2 LYS 13 + HA GLU 88 OK 11 65 - 16 - 3.6/8393=3, 3.6/8393=3 HG3 LYS 20 - HA GLU 88 lone 9 96 - 9 - 3.0/3867=2, 2.8/4034=1 HD2 LYS 20 - HA GLU 88 lone 8 99 - 9 - 4034=2, 3.5/3867=2, 1.8/4034=1 HD3 LYS 20 - HA GLU 88 lone 8 96 - 8 - 3.5/3867=2, 1.8/4034=1, 4034=1 HG12 ILE 15 - HA GLU 88 lone 6 90 - 6 - ~8437=1 HD2 LYS 73 - HA GLU 88 lone 5 77 - 6 - 3.0/3870=2 HB3 LYS 53 - HA GLU 88 lone 5 100 - 5 - HD3 LYS 73 - HA GLU 88 lone 4 70 - 6 - 3.0/3870=2 HD3 LYS 66 - HA GLU 88 lone 4 61 - 6 - 2.9/3870=1, 2.9/3870=1 HD3 LYS 12 - HA GLU 88 lone 3 65 - 5 - HD2 LYS 12 - HA GLU 88 lone 3 65 - 5 - HB ILE 52 - HA GLU 88 lone 2 87 - 3 - HB3 LYS 40 - HA GLU 88 lone 2 100 - 2 - HG LEU 70 - HA GLU 88 lone 2 73 - 3 - HB2 LEU 2 - HA GLU 88 lone 2 61 - 3 - Peak 3872 from cnoeabs.peaks (7.57, 1.81, 30.05 ppm; 4.11 A): 2 out of 8 assignments used, quality = 1.00: * H GLU 88 + HB2 GLU 88 OK 100 100 - 100 - 3.9=100 H LYS 24 + HB2 GLU 88 OK 59 100 - 59 - 3879/1.8=13, 3886/3.0=10...(12) H GLU 88 - HB2 GLU 104 OK 33 90 - 37 - 3.0/3873=6, 3.9/3881=6...(12) H ILE 76 - HB2 GLU 88 OK 19 90 - 21 - 3879/1.8=4, 3862/3.0=3...(7) H LYS 24 - HB2 GLU 104 OK 15 90 - 17 - 7393=2, 3.6/4522=2...(5) H LEU 14 - HB2 GLU 88 poor 7 61 - 12 - 7400/4.3=3, 3862/3.0=2...(5) H ILE 76 - HB2 GLU 104 lone 3 76 - 4 - H LEU 14 - HB2 GLU 104 lone 1 50 - 2 - Peak 3873 from cnoeabs.peaks (3.66, 1.81, 30.05 ppm; 3.82 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 88 + HB2 GLU 88 OK 100 100 - 100 - 3.0=100 HA LYS 90 + HB2 GLU 88 OK 72 92 - 78 - 3880/1.8=14, 3887/3.0=9...(27) HA GLU 88 - HB2 GLU 104 OK 45 90 - 50 - 3864=7, 3.0/3881=6...(18) HA LYS 90 - HB2 GLU 104 OK 21 78 - 27 - 3913=3, 3.0/7417=2...(12) Peak 3874 from cnoeabs.peaks (1.81, 1.81, 30.05 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 88 + HB2 GLU 88 OK 100 100 - 100 HB2 GLU 104 + HB2 GLU 104 OK 90 90 - 100 Peak 3875 from cnoeabs.peaks (2.08, 1.81, 30.05 ppm; 2.82 A): 1 out of 20 assignments used, quality = 1.00: * HB3 GLU 88 + HB2 GLU 88 OK 100 100 - 100 - 1.8=100 HB3 GLU 88 - HB2 GLU 104 OK 34 90 - 38 - 3881=7, 3883/3.0=4...(16) HB2 GLU 23 - HB2 GLU 88 OK 32 94 - 34 - 3865/3.0=4, 3889/3.0=4...(14) HB2 GLU 23 - HB2 GLU 104 OK 16 81 - 20 - ~4532=3, 1.8/4525=2...(8) HB3 GLU 35 - HB2 GLU 88 OK 15 100 - 15 - 3889/3.0=2, 3865/3.0=1...(5) HB3 GLU 62 - HB2 GLU 104 OK 12 76 - 17 - 2742/3.0=3, ~2735=2...(8) HB3 LEU 38 - HB2 GLU 88 lone 8 99 - 8 - HB3 GLU 43 - HB2 GLU 88 lone 6 84 - 7 - HB2 GLU 16 - HB2 GLU 88 lone 5 100 - 5 - HB3 GLU 62 - HB2 GLU 88 lone 5 90 - 5 - HB2 MET 74 - HB2 GLU 88 lone 4 77 - 5 - HB3 LEU 38 - HB2 GLU 104 lone 3 87 - 3 - HB3 GLU 35 - HB2 GLU 104 lone 2 89 - 3 - HB2 GLU 16 - HB2 GLU 104 lone 1 90 - 1 - HG2 GLU 28 - HB2 GLU 88 lone 1 81 - 1 - HG3 GLU 28 - HB2 GLU 88 lone 1 81 - 1 - HB3 GLU 43 - HB2 GLU 104 lone 1 70 - 1 - HB2 MET 74 - HB2 GLU 104 lone 0 64 - 1 - HG2 GLU 28 - HB2 GLU 104 lone 0 67 - 0 - HG3 GLU 28 - HB2 GLU 104 lone 0 67 - 0 - Peak 3876 from cnoeabs.peaks (2.14, 1.81, 30.05 ppm; 3.15 A): 2 out of 20 assignments used, quality = 1.00: * HG2 GLU 88 + HB2 GLU 88 OK 100 100 - 100 - 3.0=100 HG2 GLU 104 + HB2 GLU 104 OK 86 86 - 100 - 3.0=100 HG2 GLU 104 - HB2 GLU 88 OK 43 98 - 44 - 4537=8, 3883/1.8=7...(19) HG2 GLU 88 - HB2 GLU 104 OK 37 90 - 41 - 3888=6, 4532/1.8=6...(17) HB3 GLU 23 - HB2 GLU 88 OK 35 87 - 41 - 3883/1.8=8, 3866/3.0=5...(15) HB3 GLU 23 - HB2 GLU 104 OK 22 73 - 31 - 4532/1.8=5, 4546/3.0=3...(11) HB2 GLU 75 - HB2 GLU 88 lone 8 98 - 8 - 3883/1.8=2, 3866/3.0=1...(4) HB3 GLU 95 - HB2 GLU 104 poor 6 57 - 11 - 4518/3.0=2, 4532/1.8=2...(5) HB3 GLU 95 - HB2 GLU 88 lone 3 70 - 4 - HG2 GLU 44 - HB2 GLU 88 lone 2 97 - 2 - HB3 GLU 37 - HB2 GLU 88 lone 2 73 - 2 - HB3 GLU 69 - HB2 GLU 88 lone 2 77 - 2 - HB2 GLU 69 - HB2 GLU 88 lone 2 77 - 2 - HB2 GLU 75 - HB2 GLU 104 lone 1 86 - 2 - HG2 GLU 69 - HB2 GLU 88 lone 1 77 - 2 - HB3 GLU 37 - HB2 GLU 104 lone 1 60 - 1 - HG2 GLU 44 - HB2 GLU 104 lone 1 84 - 1 - HB2 GLU 69 - HB2 GLU 104 lone 0 64 - 1 - HB3 GLU 69 - HB2 GLU 104 lone 0 64 - 1 - HG2 GLU 69 - HB2 GLU 104 lone 0 64 - 0 - Peak 3877 from cnoeabs.peaks (1.94, 1.81, 30.05 ppm; 4.26 A): 2 out of 26 assignments used, quality = 1.00: * HG3 GLU 88 + HB2 GLU 88 OK 100 100 - 100 - 3.0=100 HG3 GLU 88 + HB2 GLU 104 OK 55 90 - 62 - 3895=10, 1.8/3888=9...(21) HB VAL 32 - HB2 GLU 88 OK 22 100 - 23 - 10158/1.8=7, ~10156=3...(9) HB2 LYS 24 - HB2 GLU 88 OK 20 61 - 33 - 4.0/3872=6, 4.4/10297=5...(13) HB3 LYS 24 - HB2 GLU 88 OK 20 61 - 33 - 4.0/3872=6, 4.4/10297=5...(13) HB3 LYS 20 - HB2 GLU 88 OK 17 94 - 18 - 4.6/10297=4, 3884/1.8=3...(6) HB3 ARG 46 - HB2 GLU 88 OK 11 73 - 15 - 3867/3.0=2, 4.5/11042=2...(4) HB2 GLU 17 - HB2 GLU 88 OK 11 100 - 11 - 3884/1.8=2, 7405/4.3=1 HB3 LYS 73 - HB2 GLU 88 poor 9 84 - 11 - 3867/3.0=2, 3884/1.8=1 HB2 LYS 73 - HB2 GLU 88 poor 9 81 - 10 - 3867/3.0=1, 3884/1.8=1 HB3 LYS 47 - HB2 GLU 88 poor 6 61 - 10 - ~3870=2, 3867/3.0=2 HB3 MET 74 - HB2 GLU 88 lone 6 61 - 9 - HB2 MET 1 - HB2 GLU 88 lone 5 100 - 5 - HB VAL 32 - HB2 GLU 104 lone 5 89 - 6 - 10158/3.0=1 HB3 ARG 19 - HB2 GLU 88 lone 5 81 - 6 - HB3 LYS 20 - HB2 GLU 104 lone 4 81 - 5 - 4.6/10297=1 HB3 LYS 24 - HB2 GLU 104 lone 3 50 - 5 - 4.0/3872=2 HB2 LYS 24 - HB2 GLU 104 lone 3 50 - 5 - 4.0/3872=2 HB3 ARG 46 - HB2 GLU 104 lone 2 60 - 4 - HB2 GLU 17 - HB2 GLU 104 lone 2 90 - 2 - HB3 LYS 47 - HB2 GLU 104 lone 1 50 - 3 - HB3 LYS 73 - HB2 GLU 104 lone 1 70 - 2 - HB2 LYS 73 - HB2 GLU 104 lone 1 67 - 2 - HB2 MET 1 - HB2 GLU 104 lone 1 90 - 1 - HB3 ARG 19 - HB2 GLU 104 lone 1 67 - 1 - HB3 MET 74 - HB2 GLU 104 lone 1 50 - 1 - Peak 3878 from cnoeabs.peaks (7.42, 1.81, 30.05 ppm; 4.31 A): 2 out of 6 assignments used, quality = 1.00: * H ALA 89 + HB2 GLU 88 OK 100 100 - 100 - 4.3=100 HE3 TRP 92 + HB2 GLU 88 OK 57 98 - 59 - 3885/1.8=13...(15) H ALA 89 - HB2 GLU 104 OK 38 90 - 42 - 9923/3.0=9, 7404/3.0=6...(11) HE22 GLN 72 - HB2 GLU 88 OK 15 73 - 20 - 3885/1.8=3, 3892/3.0=3...(8) HE3 TRP 92 - HB2 GLU 104 OK 13 86 - 16 - 5.3/12226=3, 5.1/12224=2 HE22 GLN 72 - HB2 GLU 104 lone 3 60 - 4 - Peak 3879 from cnoeabs.peaks (7.57, 2.08, 30.05 ppm; 3.73 A): 2 out of 4 assignments used, quality = 0.98: * H GLU 88 + HB3 GLU 88 OK 96 100 - 96 - 3.9=90, 3886/3.0=15...(13) H LYS 24 + HB3 GLU 88 OK 55 100 - 55 - 3862/3.0=9, 3886/3.0=9...(12) H ILE 76 - HB3 GLU 88 OK 16 90 - 17 - 3862/3.0=3, 3886/3.0=3...(6) H LEU 14 - HB3 GLU 88 poor 7 61 - 11 - 7400/4.3=2, 3862/3.0=2 Peak 3880 from cnoeabs.peaks (3.66, 2.08, 30.05 ppm; 4.00 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 88 + HB3 GLU 88 OK 100 100 - 100 - 3.0=100 HA LYS 90 + HB3 GLU 88 OK 66 92 - 72 - 3873/1.8=12, 3887/3.0=10...(22) Peak 3881 from cnoeabs.peaks (1.81, 2.08, 30.05 ppm; 3.05 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLU 88 + HB3 GLU 88 OK 100 100 - 100 - 1.8=100 HB2 LYS 90 + HB3 GLU 88 OK 52 100 - 52 - 10308=7, 3.0/3880=7...(22) HB2 GLU 104 - HB3 GLU 88 OK 43 100 - 44 - 3875=7, 3.0/3883=5...(19) HB ILE 93 - HB3 GLU 88 OK 24 98 - 25 - 4129/3.0=5, ~10027=4...(13) HB2 LEU 42 - HB3 GLU 88 lone 9 100 - 9 - HB3 LEU 57 - HB3 GLU 88 lone 7 77 - 10 - 7402/4.3=1 HB2 LYS 39 - HB3 GLU 88 lone 6 90 - 6 - HG2 ARG 46 - HB3 GLU 88 lone 5 73 - 7 - Peak 3882 from cnoeabs.peaks (2.08, 2.08, 30.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 88 + HB3 GLU 88 OK 100 100 - 100 Peak 3883 from cnoeabs.peaks (2.14, 2.08, 30.05 ppm; 2.78 A): 3 out of 10 assignments used, quality = 0.93: * HG2 GLU 88 + HB3 GLU 88 OK 86 100 - 86 - 3.0=78, 3887/3.0=9...(9) HB3 GLU 23 + HB3 GLU 88 OK 30 87 - 35 - 3866/3.0=4, 1030=4...(17) HG2 GLU 104 + HB3 GLU 88 OK 28 98 - 29 - 4537/1.8=5, 3.0/3881=3...(12) HB2 GLU 75 - HB3 GLU 88 lone 6 98 - 6 - 4.1/3879=1 HB3 GLU 95 - HB3 GLU 88 lone 2 70 - 3 - HG2 GLU 44 - HB3 GLU 88 lone 1 97 - 1 - HB3 GLU 37 - HB3 GLU 88 lone 1 73 - 2 - HB2 GLU 69 - HB3 GLU 88 lone 1 77 - 1 - HB3 GLU 69 - HB3 GLU 88 lone 1 77 - 1 - HG2 GLU 69 - HB3 GLU 88 lone 1 77 - 1 - Peak 3884 from cnoeabs.peaks (1.94, 2.08, 30.05 ppm; 3.02 A): 1 out of 13 assignments used, quality = 1.00: * HG3 GLU 88 + HB3 GLU 88 OK 100 100 - 100 - 3.0=100 HB3 LYS 24 - HB3 GLU 88 OK 12 61 - 20 - 4.4/10299=5, 4.0/3879=4...(8) HB2 LYS 24 - HB3 GLU 88 OK 12 61 - 20 - 4.4/10299=5, 4.0/3879=4...(8) HB VAL 32 - HB3 GLU 88 OK 12 100 - 12 - 10158=3, 2.1/10156=1...(5) HB3 LYS 20 - HB3 GLU 88 lone 9 94 - 10 - 4.6/10299=2, 3867/3.0=1...(4) HB2 GLU 17 - HB3 GLU 88 lone 6 100 - 6 - HB3 ARG 46 - HB3 GLU 88 lone 5 73 - 6 - HB3 LYS 73 - HB3 GLU 88 lone 4 84 - 5 - HB2 LYS 73 - HB3 GLU 88 lone 4 81 - 5 - HB3 MET 74 - HB3 GLU 88 lone 3 61 - 5 - HB3 LYS 47 - HB3 GLU 88 lone 3 61 - 5 - HB2 MET 1 - HB3 GLU 88 lone 3 100 - 2 - HB3 ARG 19 - HB3 GLU 88 lone 2 81 - 3 - Peak 3885 from cnoeabs.peaks (7.42, 2.08, 30.05 ppm; 4.13 A): 2 out of 3 assignments used, quality = 0.99: * H ALA 89 + HB3 GLU 88 OK 98 100 - 98 - 4.3=92, 2.9/9933=16...(22) HE3 TRP 92 + HB3 GLU 88 OK 51 98 - 53 - 5.3/12227=11, 3878/1.8=9...(13) HE22 GLN 72 - HB3 GLU 88 OK 13 73 - 17 - 3878/1.8=2, 3892/3.0=2...(8) Peak 3886 from cnoeabs.peaks (7.57, 2.14, 36.78 ppm; 3.83 A): 3 out of 4 assignments used, quality = 0.92: * H GLU 88 + HG2 GLU 88 OK 83 100 - 83 - 4.9=47, 3.9/3889=18...(11) H LYS 24 + HG2 GLU 88 OK 48 100 - 49 - 3893/1.8=10, 3879/3.0=9...(13) H ILE 76 + HG2 GLU 88 OK 15 90 - 17 - 7249=3, 3893/1.8=3...(5) H LEU 14 - HG2 GLU 88 lone 5 61 - 7 - ~592=1, 3862/4.2=1...(4) Peak 3887 from cnoeabs.peaks (3.66, 2.14, 36.78 ppm; 3.96 A): 2 out of 2 assignments used, quality = 0.98: * HA GLU 88 + HG2 GLU 88 OK 96 100 - 96 - 4.2=85, 3894/1.8=26...(16) HA LYS 90 + HG2 GLU 88 OK 51 92 - 55 - 3894/1.8=13, 3880/3.0=12...(14) Peak 3888 from cnoeabs.peaks (1.81, 2.14, 36.78 ppm; 3.70 A): 3 out of 8 assignments used, quality = 1.00: * HB2 GLU 88 + HG2 GLU 88 OK 100 100 - 100 - 3.0=100 HB2 GLU 104 + HG2 GLU 88 OK 52 100 - 53 - 1.8/4532=8, 3895/1.8=7...(20) HB2 LYS 90 + HG2 GLU 88 OK 52 100 - 52 - 3.0/3887=9, 10308/3.0=8...(17) HB ILE 93 - HG2 GLU 88 OK 22 98 - 23 - 4129/4.2=6, 3881/3.0=3...(10) HB2 LEU 42 - HG2 GLU 88 lone 9 100 - 9 - 3895/1.8=1, 3881/3.0=1 HB3 LEU 57 - HG2 GLU 88 poor 8 77 - 11 - 3895/1.8=1 HG2 ARG 46 - HG2 GLU 88 lone 6 73 - 8 - HB2 LYS 39 - HG2 GLU 88 lone 6 90 - 6 - Peak 3889 from cnoeabs.peaks (2.08, 2.14, 36.78 ppm; 2.65 A): 2 out of 10 assignments used, quality = 0.83: * HB3 GLU 88 + HG2 GLU 88 OK 78 100 - 78 - 3.0=68, 3.0/3887=8...(8) HB2 GLU 23 + HG2 GLU 88 OK 25 94 - 27 - 3896/1.8=5, 1023=3...(10) HB3 GLU 35 - HG2 GLU 88 lone 10 100 - 10 - 3896/1.8=2, 3875/3.0=1 HB3 LEU 38 - HG2 GLU 88 lone 5 99 - 4 - HB2 GLU 16 - HG2 GLU 88 lone 4 100 - 4 - HB3 GLU 43 - HG2 GLU 88 lone 3 84 - 4 - HB2 MET 74 - HG2 GLU 88 lone 3 77 - 4 - HB3 GLU 62 - HG2 GLU 88 lone 3 90 - 3 - HG3 GLU 28 - HG2 GLU 88 lone 1 81 - 1 - HG2 GLU 28 - HG2 GLU 88 lone 1 81 - 1 - Peak 3890 from cnoeabs.peaks (2.14, 2.14, 36.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 88 + HG2 GLU 88 OK 100 100 - 100 Peak 3891 from cnoeabs.peaks (1.94, 2.14, 36.78 ppm; 2.75 A): 1 out of 13 assignments used, quality = 1.00: * HG3 GLU 88 + HG2 GLU 88 OK 100 100 - 100 - 1.8=100 HB VAL 32 - HG2 GLU 88 lone 8 100 - 8 - 10158/3.0=2 HB2 LYS 24 - HG2 GLU 88 poor 7 61 - 12 - 4.0/3886=3, 4.4/10301=2...(4) HB3 LYS 24 - HG2 GLU 88 poor 7 61 - 12 - 4.0/3886=3, 4.4/10301=2...(4) HB3 LYS 20 - HG2 GLU 88 lone 6 94 - 6 - 4.6/10301=1, 3884/3.0=1 HB2 GLU 17 - HG2 GLU 88 lone 3 100 - 3 - HB3 ARG 46 - HG2 GLU 88 lone 3 73 - 3 - HB3 MET 74 - HG2 GLU 88 lone 2 61 - 4 - HB3 LYS 73 - HG2 GLU 88 lone 2 84 - 3 - HB2 LYS 73 - HG2 GLU 88 lone 2 81 - 3 - HB3 ARG 19 - HG2 GLU 88 lone 2 81 - 3 - HB2 MET 1 - HG2 GLU 88 lone 2 100 - 2 - HB3 LYS 47 - HG2 GLU 88 lone 1 61 - 2 - Peak 3892 from cnoeabs.peaks (7.42, 2.14, 36.78 ppm; 5.12 A): 2 out of 3 assignments used, quality = 0.95: * H ALA 89 + HG2 GLU 88 OK 90 100 - 90 - 3.6/3887=26, 4.3/3889=26...(17) HE3 TRP 92 + HG2 GLU 88 OK 56 98 - 57 - 3899/1.8=15, 3885/3.0=13...(10) HE22 GLN 72 - HG2 GLU 88 OK 17 73 - 23 - 3899/1.8=4, ~9922=4...(8) Peak 3893 from cnoeabs.peaks (7.57, 1.94, 36.78 ppm; 4.35 A): 2 out of 4 assignments used, quality = 0.97: * H GLU 88 + HG3 GLU 88 OK 93 100 - 93 - 4.9=69, 3886/1.8=24...(13) H LYS 24 + HG3 GLU 88 OK 54 100 - 55 - 3886/1.8=14, 3879/3.0=11...(11) H ILE 76 - HG3 GLU 88 OK 17 90 - 19 - 3886/1.8=5, 3879/3.0=3...(6) H LEU 14 - HG3 GLU 88 poor 6 61 - 10 - 3.0/592=3, 3862/4.2=2...(5) Peak 3894 from cnoeabs.peaks (3.66, 1.94, 36.78 ppm; 3.86 A): 2 out of 2 assignments used, quality = 0.97: * HA GLU 88 + HG3 GLU 88 OK 94 100 - 94 - 4.2=78, 3887/1.8=24...(16) HA LYS 90 + HG3 GLU 88 OK 47 92 - 51 - 3887/1.8=12, 3880/3.0=11...(13) Peak 3895 from cnoeabs.peaks (1.81, 1.94, 36.78 ppm; 3.53 A): 3 out of 8 assignments used, quality = 1.00: * HB2 GLU 88 + HG3 GLU 88 OK 100 100 - 100 - 3.0=100 HB2 LYS 90 + HG3 GLU 88 OK 48 100 - 48 - 3.0/3894=8, 10308/3.0=7...(16) HB2 GLU 104 + HG3 GLU 88 OK 46 100 - 47 - 3888/1.8=7, 3881/3.0=5...(19) HB ILE 93 - HG3 GLU 88 OK 20 98 - 20 - 4129/4.2=5, 3881/3.0=3...(10) HB2 LEU 42 - HG3 GLU 88 lone 8 100 - 8 - 3888/1.8=1, 3881/3.0=1 HB3 LEU 57 - HG3 GLU 88 lone 7 77 - 10 - 3888/1.8=1 HG2 ARG 46 - HG3 GLU 88 lone 5 73 - 7 - HB2 LYS 39 - HG3 GLU 88 lone 5 90 - 5 - Peak 3896 from cnoeabs.peaks (2.08, 1.94, 36.78 ppm; 3.18 A): 1 out of 10 assignments used, quality = 1.00: * HB3 GLU 88 + HG3 GLU 88 OK 100 100 - 100 - 3.0=100 HB2 GLU 23 - HG3 GLU 88 OK 34 94 - 37 - 3889/1.8=8, 1.8/3897=6...(13) HB3 GLU 35 - HG3 GLU 88 OK 13 100 - 13 - 3889/1.8=3, 3875/3.0=2...(4) HB3 LEU 38 - HG3 GLU 88 lone 7 99 - 7 - 3889/1.8=1 HB2 GLU 16 - HG3 GLU 88 lone 6 100 - 6 - 3889/1.8=1 HB3 GLU 43 - HG3 GLU 88 lone 4 84 - 5 - 3889/1.8=1 HB3 GLU 62 - HG3 GLU 88 lone 4 90 - 4 - HB2 MET 74 - HG3 GLU 88 lone 4 77 - 5 - HG3 GLU 28 - HG3 GLU 88 lone 1 81 - 1 - HG2 GLU 28 - HG3 GLU 88 lone 1 81 - 1 - Peak 3897 from cnoeabs.peaks (2.14, 1.94, 36.78 ppm; 2.82 A): 1 out of 10 assignments used, quality = 1.00: * HG2 GLU 88 + HG3 GLU 88 OK 100 100 - 100 - 1.8=100 HG2 GLU 104 - HG3 GLU 88 OK 25 98 - 26 - 3883/3.0=4, 4537/3.0=4...(11) HB3 GLU 23 - HG3 GLU 88 OK 24 87 - 28 - 1.8/3896=5, 3883/3.0=4...(10) HB2 GLU 75 - HG3 GLU 88 lone 5 98 - 5 - HB3 GLU 95 - HG3 GLU 88 lone 1 70 - 2 - HG2 GLU 44 - HG3 GLU 88 lone 1 97 - 1 - HB3 GLU 37 - HG3 GLU 88 lone 1 73 - 1 - HB2 GLU 69 - HG3 GLU 88 lone 1 77 - 1 - HB3 GLU 69 - HG3 GLU 88 lone 1 77 - 1 - HG2 GLU 69 - HG3 GLU 88 lone 1 77 - 1 - Peak 3898 from cnoeabs.peaks (1.94, 1.94, 36.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 88 + HG3 GLU 88 OK 100 100 - 100 Peak 3899 from cnoeabs.peaks (7.42, 1.94, 36.78 ppm; 5.22 A): 2 out of 3 assignments used, quality = 0.97: * H ALA 89 + HG3 GLU 88 OK 90 100 - 90 - 3.6/3894=27, 7403/3.0=26...(20) HE3 TRP 92 + HG3 GLU 88 OK 67 98 - 68 - 5.3/9973=17, 3892/1.8=14...(11) HE22 GLN 72 - HG3 GLU 88 OK 19 73 - 25 - 1.7/9922=5, 3892/1.8=5...(8) Peak 3900 from cnoeabs.peaks (7.42, 3.90, 55.61 ppm; 3.57 A): 2 out of 3 assignments used, quality = 1.00: * H ALA 89 + HA ALA 89 OK 100 100 - 100 - 3.0=100 HE3 TRP 92 + HA ALA 89 OK 50 98 - 51 - 4.2/3905=13, 4.2/3906=9...(13) HE22 GLN 72 - HA ALA 89 poor 9 73 - 12 - 1.7/9935=2, 3907/2.1=2 Peak 3901 from cnoeabs.peaks (3.90, 3.90, 55.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 89 + HA ALA 89 OK 100 100 - 100 Peak 3902 from cnoeabs.peaks (1.34, 3.90, 55.61 ppm; 2.92 A): 1 out of 10 assignments used, quality = 1.00: * QB ALA 89 + HA ALA 89 OK 100 100 - 100 - 2.1=100 HG LEU 14 - HA ALA 89 OK 26 90 - 29 - ~8402=5, 2.1/9930=4...(11) QB ALA 25 - HA ALA 89 OK 12 100 - 13 - 7407/3.0=3, ~9938=2...(4) HG2 LYS 94 - HA ALA 89 OK 12 100 - 12 - 2.9/4196=1, 7415/3.6=1...(4) HB3 LEU 2 - HA ALA 89 lone 10 98 - 10 - 3.1/9929=2, 7407/3.0=1 HB2 LYS 82 - HA ALA 89 lone 8 99 - 8 - 9810/9928=2 HB3 LEU 27 - HA ALA 89 lone 6 99 - 6 - HG2 LYS 39 - HA ALA 89 lone 6 98 - 6 - QB ALA 67 - HA ALA 89 lone 6 100 - 5 - HG3 LYS 68 - HA ALA 89 lone 4 92 - 5 - 7415/3.6=1 Peak 3903 from cnoeabs.peaks (8.05, 3.90, 55.61 ppm; 4.57 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 90 + HA ALA 89 OK 100 100 - 100 - 3.6=100 H SER 102 - HA ALA 89 OK 20 84 - 24 - 7408/3.0=5, 3911/4.8=5...(8) H GLU 17 - HA ALA 89 OK 10 70 - 15 - 3910/2.1=5, 3911/4.8=4 Peak 3904 from cnoeabs.peaks (8.14, 3.90, 55.61 ppm; 4.73 A): 2 out of 4 assignments used, quality = 0.97: * H TRP 92 + HA ALA 89 OK 89 100 - 89 - 7453/3.6=30, 4.0/3905=25...(18) H ASP 87 + HA ALA 89 OK 71 99 - 72 - 10963/3.6=23...(18) H GLY 100 - HA ALA 89 OK 18 100 - 18 - 10304/3.0=3, 7426/3.6=3...(5) H HIS 106 - HA ALA 89 lone 2 65 - 3 - Peak 3905 from cnoeabs.peaks (3.10, 3.90, 55.61 ppm; 4.47 A): 1 out of 3 assignments used, quality = 0.74: * HB2 TRP 92 + HA ALA 89 OK 74 100 - 74 - 1.8/3906=23, 3.9/9935=17...(14) HB2 PHE 96 - HA ALA 89 poor 10 100 - 10 - 7484/7478=2...(5) HD3 ARG 30 - HA ALA 89 lone 2 70 - 3 - Peak 3906 from cnoeabs.peaks (3.19, 3.90, 55.61 ppm; 5.05 A): 2 out of 6 assignments used, quality = 0.88: * HB3 TRP 92 + HA ALA 89 OK 85 100 - 85 - 1.8/3905=39, 3.9/9935=21...(14) HD3 ARG 46 + HA ALA 89 OK 22 100 - 22 - ~7409=3, 4098/3905=2...(9) HB2 HIS 106 - HA ALA 89 lone 3 90 - 3 - HD2 ARG 19 - HA ALA 89 lone 3 61 - 5 - HD3 ARG 19 - HA ALA 89 lone 3 61 - 5 - HB2 ASP 77 - HA ALA 89 lone 3 84 - 3 - Peak 3907 from cnoeabs.peaks (7.42, 1.34, 17.35 ppm; 3.00 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 89 + QB ALA 89 OK 100 100 - 100 - 2.9=100 HE3 TRP 92 - QB ALA 89 OK 25 98 - 26 - 3900/2.1=8, 5.1/9936=4...(7) HE22 GLN 72 - QB ALA 89 lone 5 73 - 6 - 3900/2.1=1 Peak 3908 from cnoeabs.peaks (3.90, 1.34, 17.35 ppm; 2.87 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 89 + QB ALA 89 OK 100 100 - 100 - 2.1=100 HA ARG 91 - QB ALA 89 OK 26 84 - 31 - 3.0/10991=5, ~7429=5...(9) HB2 SER 85 - QB ALA 89 OK 17 100 - 17 - ~9848=3, 7406/2.9=3...(6) HA GLU 63 - QB ALA 89 lone 8 84 - 10 - 2.9/9939=2, 3.6/9938=2...(5) HA3 GLY 101 - QB ALA 89 lone 5 96 - 5 - 3.6/3910=1 HA GLU 35 - QB ALA 89 lone 5 81 - 6 - 3.0/9933=1 HB2 SER 102 - QB ALA 89 lone 4 97 - 4 - 4.0/3910=1 HA GLU 43 - QB ALA 89 lone 3 65 - 5 - Peak 3909 from cnoeabs.peaks (1.34, 1.34, 17.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 89 + QB ALA 89 OK 100 100 - 100 Peak 3910 from cnoeabs.peaks (8.05, 1.34, 17.35 ppm; 3.33 A): 2 out of 3 assignments used, quality = 0.88: * H LYS 90 + QB ALA 89 OK 87 100 - 87 - 3.6=77, 7408/2.9=23...(10) H GLU 17 + QB ALA 89 OK 10 70 - 15 - 4.6/9940=9, 7408/2.9=2 H SER 102 - QB ALA 89 poor 9 84 - 10 - 7408/2.9=3, 3903/2.1=3 Peak 3911 from cnoeabs.peaks (8.05, 3.67, 60.35 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 90 + HA LYS 90 OK 100 100 - 100 - 3.0=100 H SER 102 - HA LYS 90 OK 26 84 - 31 - 3924/3.0=6, 3935/3.0=4...(10) H GLU 17 - HA LYS 90 OK 24 70 - 34 - 6245=4, 3924/3.0=4...(16) Peak 3912 from cnoeabs.peaks (3.67, 3.67, 60.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 90 + HA LYS 90 OK 100 100 - 100 Peak 3913 from cnoeabs.peaks (1.81, 3.67, 60.35 ppm; 3.05 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LYS 90 + HA LYS 90 OK 100 100 - 100 - 3.0=100 HB2 GLU 88 + HA LYS 90 OK 58 100 - 59 - 1.8/3880=7, 3873=6...(24) HB ILE 93 + HA LYS 90 OK 49 94 - 53 - 4129=10, 3.2/10025=8...(20) HB2 LEU 42 - HA LYS 90 OK 34 99 - 35 - 1.8/3915=5, 7417/3.0=3...(15) HB2 GLU 104 - HA LYS 90 OK 17 100 - 17 - 3873=2, 7417/3.0=1...(4) HG2 ARG 46 - HA LYS 90 OK 15 84 - 18 - 3.6/3921=3, 7433/3.6=3...(7) HB3 LEU 57 - HA LYS 90 OK 11 87 - 13 - 10973/4.8=1, ~2612=1...(4) HB2 LYS 39 - HA LYS 90 lone 8 81 - 9 - Peak 3914 from cnoeabs.peaks (1.83, 3.67, 60.35 ppm; 3.26 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 90 + HA LYS 90 OK 100 100 - 100 - 3.0=100 HB2 LYS 68 - HA LYS 90 OK 39 99 - 39 - 3936=5, 3927/3.0=5...(18) HG2 ARG 46 - HA LYS 90 OK 25 94 - 27 - 7434/3.6=5, 3927/3.0=4...(12) HB2 LYS 53 - HA LYS 90 OK 25 97 - 26 - 3927/3.0=3, 3949/4.0=3...(12) HB3 LEU 57 - HA LYS 90 OK 16 92 - 17 - 3927/3.0=2, 7418/3.0=2...(6) Peak 3915 from cnoeabs.peaks (1.29, 3.67, 60.35 ppm; 3.54 A): 1 out of 4 assignments used, quality = 0.95: * HG2 LYS 90 + HA LYS 90 OK 95 100 - 95 - 4.0=71, 7419/3.0=17...(28) HB3 LEU 42 - HA LYS 90 OK 30 73 - 41 - 1.8/3923=5, 3928/3.0=5...(20) HG2 ARG 30 - HA LYS 90 OK 27 97 - 28 - 3928/3.0=5, 7419/3.0=4...(10) HG LEU 3 - HA LYS 90 OK 22 87 - 26 - 3928/3.0=4, 7419/3.0=3...(11) Peak 3916 from cnoeabs.peaks (1.58, 3.67, 60.35 ppm; 3.80 A): 1 out of 14 assignments used, quality = 0.99: * HG3 LYS 90 + HA LYS 90 OK 99 100 - 99 - 4.0=89, 1.8/3915=22...(26) HG2 LYS 24 - HA LYS 90 OK 32 100 - 33 - 7420/3.0=5, 3929/3.0=4...(12) HG3 LYS 12 - HA LYS 90 OK 21 92 - 23 - 3929/3.0=3, 3951/4.0=2...(10) HD3 LYS 94 - HA LYS 90 OK 20 81 - 25 - 6.3/10979=6, 7436/3.6=2...(7) HB2 ARG 30 - HA LYS 90 OK 13 61 - 20 - 2.9/3915=5, ~3928=2...(9) HB2 LEU 103 - HA LYS 90 OK 11 100 - 11 - 3929/3.0=2, 7420/3.0=1 HG LEU 103 - HA LYS 90 lone 10 100 - 10 - 3929/3.0=1, 7420/3.0=1 HG2 ARG 19 - HA LYS 90 lone 9 100 - 9 - 3929/3.0=1, 7420/3.0=1 HG LEU 27 - HA LYS 90 poor 8 81 - 10 - 2.1/9947=1, ~9942=1, 7420/3.0=1 HG3 LYS 73 - HA LYS 90 poor 8 81 - 10 - 4.0/3920=2, 4.0/3920=1 HB3 LEU 29 - HA LYS 90 lone 8 87 - 9 - 3951/4.0=1, 3929/3.0=1 HD2 LYS 66 - HA LYS 90 poor 8 70 - 11 - 7436/3.6=1 HB2 ARG 79 - HA LYS 90 lone 3 73 - 4 - 4.6/7306=1 HD3 LYS 82 - HA LYS 90 lone 2 65 - 4 - Peak 3917 from cnoeabs.peaks (1.74, 3.67, 60.35 ppm; 3.98 A): 2 out of 6 assignments used, quality = 0.98: * HD2 LYS 90 + HA LYS 90 OK 96 100 - 96 - 5.2=45, 3930/3.0=20...(31) HB ILE 15 + HA LYS 90 OK 48 92 - 53 - 3930/3.0=7, 7421/3.0=7...(20) HB2 GLU 28 - HA LYS 90 OK 22 100 - 22 - 3930/3.0=4, 3941/3.0=3...(11) HD3 LYS 33 - HA LYS 90 OK 11 77 - 14 - 3930/3.0=2, 3941/3.0=2...(7) HD2 LYS 33 - HA LYS 90 OK 11 77 - 14 - 3930/3.0=2, 3941/3.0=2...(7) HD2 ARG 81 - HA LYS 90 lone 7 81 - 9 - 7437/3.6=1, 3930/3.0=1 Peak 3918 from cnoeabs.peaks (1.70, 3.67, 60.35 ppm; 4.22 A): 4 out of 19 assignments used, quality = 1.00: * HD3 LYS 90 + HA LYS 90 OK 98 100 - 98 - 5.2=54, 1.8/3917=20...(33) HG2 PRO 86 + HA LYS 90 OK 59 99 - 59 - 2.3/9886=13, 9887=11...(17) HG12 ILE 15 + HA LYS 90 OK 53 100 - 53 - 2.9/3917=8, 3980=5...(18) HB3 ARG 91 + HA LYS 90 OK 48 81 - 60 - 3.9/7432=16, 1.8/4024=13...(14) HD3 LYS 24 - HA LYS 90 OK 33 100 - 33 - 3.0/3916=4, ~7420=3...(19) HD2 LYS 24 - HA LYS 90 OK 33 100 - 33 - 3.0/3916=4, ~7420=3...(19) HD3 LYS 12 - HA LYS 90 OK 32 99 - 33 - 3.0/3916=3, 3931/3.0=3...(20) HD2 LYS 12 - HA LYS 90 OK 32 99 - 33 - 3.0/3916=3, 3931/3.0=3...(20) HB3 LYS 53 - HA LYS 90 OK 31 90 - 35 - 2406/3.0=6, 1.8/3914=6...(15) HD2 LYS 13 - HA LYS 90 OK 16 99 - 16 - 3.6/8393=3, 3.6/8393=3...(4) HD3 LYS 66 - HA LYS 90 OK 16 99 - 16 - 7438/3.6=2, 10781/9959=1 HD3 LYS 13 - HA LYS 90 OK 16 98 - 16 - 3.6/8393=3, 3.6/8393=3...(4) HD3 LYS 47 - HA LYS 90 OK 12 77 - 16 - 7443/3.6=3, 6.3/3921=3...(4) HD2 LYS 47 - HA LYS 90 OK 11 73 - 15 - 7443/3.6=3, 6.3/3921=3...(4) HG LEU 70 - HA LYS 90 OK 10 100 - 10 - 3157/7501=1, 9887=1 HB2 LEU 2 - HA LYS 90 OK 10 99 - 10 - HB3 LEU 70 - HA LYS 90 lone 5 61 - 9 - 4.1/10979=3 HD2 LYS 20 - HA LYS 90 lone 4 61 - 7 - 7443/3.6=1 HB3 LYS 40 - HA LYS 90 lone 4 84 - 4 - Peak 3920 from cnoeabs.peaks (2.94, 3.67, 60.35 ppm; 3.81 A): 2 out of 7 assignments used, quality = 0.97: * HE3 LYS 90 + HA LYS 90 OK 89 100 - 89 - 6.2=23, 3.8/3915=14...(26) HG2 MET 21 + HA LYS 90 OK 77 99 - 78 - 8546=20, 1.8/9949=14...(23) HE3 LYS 73 - HA LYS 90 OK 16 92 - 17 - 3933/3.0=2, 3955/4.0=2...(7) HE2 LYS 94 - HA LYS 90 OK 14 73 - 20 - 7.3/10979=4, 3.0/3916=2...(7) HE2 LYS 73 - HA LYS 90 OK 12 77 - 15 - 3933/3.0=2, 3955/4.0=2...(9) HB2 ASN 51 - HA LYS 90 poor 9 92 - 10 - 964/8549=1, 997/8543=1 HB2 ASN 10 - HA LYS 90 lone 8 96 - 8 - Peak 3921 from cnoeabs.peaks (7.47, 3.67, 60.35 ppm; 4.31 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 91 + HA LYS 90 OK 100 100 - 100 - 3.6=100 HE ARG 46 - HA LYS 90 OK 42 100 - 42 - 11042/3.0=8, 7425/3.0=6...(12) H LYS 47 - HA LYS 90 OK 38 100 - 39 - 6765/3.0=7, 3934/3.0=6...(10) HD22 ASN 26 - HA LYS 90 OK 15 100 - 14 - 7425/3.0=3, 3934/3.0=2...(6) HE ARG 19 - HA LYS 90 lone 5 65 - 8 - 3.6/3916=1 Peak 3922 from cnoeabs.peaks (8.36, 3.67, 60.35 ppm; 4.53 A): 3 out of 3 assignments used, quality = 0.89: * H ILE 93 + HA LYS 90 OK 78 100 - 78 - 7479=28, 3.9/4129=16...(15) H GLU 95 + HA LYS 90 OK 37 100 - 37 - 4.6/7501=13, 7449/3.6=9...(9) H TYR 4 + HA LYS 90 OK 19 100 - 19 - 6036/4.0=3, 7449/3.6=3...(7) Peak 3923 from cnoeabs.peaks (1.80, 3.67, 60.35 ppm; 3.10 A): 3 out of 7 assignments used, quality = 0.99: HB2 LYS 90 + HA LYS 90 OK 94 94 - 100 - 3.0=100 HB2 GLU 88 + HA LYS 90 OK 58 98 - 59 - 1.8/3880=7, 3873=7...(24) * HB ILE 93 + HA LYS 90 OK 54 100 - 54 - 4129=12, 3.2/10025=8...(21) HB2 LEU 42 - HA LYS 90 OK 35 99 - 35 - 1.8/3915=5, 7417/3.0=3...(15) HB2 GLU 104 - HA LYS 90 OK 17 98 - 17 - 3873=2, 7417/3.0=1, 10307/4.8=1 HG3 ARG 46 - HA LYS 90 OK 13 73 - 17 - 3.6/3921=3, 2099/3.0=2...(8) HB2 LYS 39 - HA LYS 90 lone 10 99 - 10 - Peak 3924 from cnoeabs.peaks (8.05, 1.81, 32.09 ppm; 3.39 A): 3 out of 3 assignments used, quality = 0.93: * H LYS 90 + HB2 LYS 90 OK 89 100 - 89 - 4.1=58, 7418/1.8=21...(16) H SER 102 + HB2 LYS 90 OK 26 84 - 31 - 3935/1.8=6, 3946/2.8=4...(10) H GLU 17 + HB2 LYS 90 OK 16 70 - 23 - 3911/3.0=4, 3935/1.8=4...(9) Peak 3925 from cnoeabs.peaks (3.67, 1.81, 32.09 ppm; 3.69 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 90 + HB2 LYS 90 OK 100 100 - 100 - 3.0=100 HA GLU 88 + HB2 LYS 90 OK 69 92 - 76 - 3864=10, 3869/4.1=10...(30) HB THR 80 - HB2 LYS 90 OK 24 92 - 26 - ~10259=4, 3947/2.8=3...(11) HA LEU 14 - HB2 LYS 90 OK 17 84 - 20 - 7416/4.1=2, 3947/2.8=2...(12) Peak 3926 from cnoeabs.peaks (1.81, 1.81, 32.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 90 + HB2 LYS 90 OK 100 100 - 100 Peak 3927 from cnoeabs.peaks (1.83, 1.81, 32.09 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 90 + HB2 LYS 90 OK 100 100 - 100 - 1.8=100 HB2 LYS 68 - HB2 LYS 90 OK 27 99 - 28 - 3937=5, 3914/3.0=2...(13) HG2 ARG 46 - HB2 LYS 90 OK 22 94 - 24 - 1.8/2099=2, 3.6/3934=2...(12) HB2 LYS 53 - HB2 LYS 90 OK 18 97 - 19 - ~2406=2, 3949/2.8=2...(8) HB3 LEU 57 - HB2 LYS 90 OK 13 92 - 14 - 1.8/2612=1, ~2612=1, 3914/3.0=1 Peak 3928 from cnoeabs.peaks (1.29, 1.81, 32.09 ppm; 3.56 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 90 + HB2 LYS 90 OK 100 100 - 100 - 2.8=100 HB3 LEU 42 - HB2 LYS 90 OK 39 73 - 54 - 3939/1.8=5, 3915/3.0=5...(27) HG2 ARG 30 - HB2 LYS 90 OK 39 97 - 40 - 3939/1.8=5, 3961/2.8=5...(15) HG LEU 3 - HB2 LYS 90 OK 28 87 - 32 - ~8115=4, 3939/1.8=4...(14) Peak 3929 from cnoeabs.peaks (1.58, 1.81, 32.09 ppm; 3.57 A): 1 out of 14 assignments used, quality = 1.00: * HG3 LYS 90 + HB2 LYS 90 OK 100 100 - 100 - 2.8=100 HG2 LYS 24 - HB2 LYS 90 OK 37 100 - 37 - 3951/2.8=4, 3959=4...(14) HG3 LYS 12 - HB2 LYS 90 OK 25 92 - 27 - 3951/2.8=3, 3973/3.6=3...(10) HD3 LYS 94 - HB2 LYS 90 OK 18 81 - 22 - 3916/3.0=2, 7436/4.1=2...(9) HB2 ARG 30 - HB2 LYS 90 OK 17 61 - 27 - 2.9/3928=5, ~1333=3...(11) HB2 LEU 103 - HB2 LYS 90 OK 13 100 - 13 - 3951/2.8=1, 3916/3.0=1...(4) HB3 LEU 29 - HB2 LYS 90 OK 11 87 - 13 - 3951/2.8=2, 3973/3.6=1...(4) HG LEU 103 - HB2 LYS 90 OK 11 100 - 11 - 3951/2.8=1, 3940/1.8=1 HG2 ARG 19 - HB2 LYS 90 lone 9 100 - 9 - HG3 LYS 73 - HB2 LYS 90 poor 9 81 - 11 - 4.0/3933=2, 4.0/3933=1 HD2 LYS 66 - HB2 LYS 90 poor 8 70 - 11 - 7436/4.1=1 HG LEU 27 - HB2 LYS 90 lone 6 81 - 7 - HB2 ARG 79 - HB2 LYS 90 lone 2 73 - 3 - HD3 LYS 82 - HB2 LYS 90 lone 2 65 - 3 - Peak 3930 from cnoeabs.peaks (1.74, 1.81, 32.09 ppm; 3.22 A): 2 out of 6 assignments used, quality = 0.95: * HD2 LYS 90 + HB2 LYS 90 OK 93 100 - 93 - 3.6=70, 3941/1.8=17...(27) HB ILE 15 + HB2 LYS 90 OK 35 92 - 38 - 3941/1.8=6, 3952/2.8=6...(12) HB2 GLU 28 - HB2 LYS 90 OK 16 100 - 16 - 3941/1.8=3, 3952/2.8=3...(8) HD3 LYS 33 - HB2 LYS 90 poor 9 77 - 11 - 3941/1.8=2, 3952/2.8=1...(4) HD2 LYS 33 - HB2 LYS 90 poor 9 77 - 11 - 3941/1.8=2, 3952/2.8=1...(4) HD2 ARG 81 - HB2 LYS 90 lone 5 81 - 6 - Peak 3931 from cnoeabs.peaks (1.70, 1.81, 32.09 ppm; 3.72 A): 1 out of 19 assignments used, quality = 1.00: * HD3 LYS 90 + HB2 LYS 90 OK 100 100 - 100 - 3.6=100 HG12 ILE 15 - HB2 LYS 90 OK 43 100 - 44 - 2.9/3930=7, 3982/1.8=5...(16) HG2 PRO 86 - HB2 LYS 90 OK 36 99 - 36 - 9887/3.0=6, ~9886=5...(17) HD2 LYS 12 - HB2 LYS 90 OK 34 99 - 34 - 3.0/3929=3, 3953/2.8=3...(16) HD3 LYS 12 - HB2 LYS 90 OK 34 99 - 34 - 3.0/3929=3, 3953/2.8=3...(16) HB3 LYS 53 - HB2 LYS 90 OK 32 90 - 36 - 2406/1.8=7, 1.8/3927=5...(17) HD2 LYS 24 - HB2 LYS 90 OK 32 100 - 33 - 3.0/3929=4, 3953/2.8=2...(18) HD3 LYS 24 - HB2 LYS 90 OK 32 100 - 33 - 3.0/3929=4, 3953/2.8=2...(18) HB3 ARG 91 - HB2 LYS 90 OK 30 81 - 38 - 3.9/3934=10, ~4024=6...(13) HD3 LYS 66 - HB2 LYS 90 OK 11 99 - 11 - 7438/4.1=1, 1.8/3929=1 HD3 LYS 47 - HB2 LYS 90 poor 8 77 - 10 - 7443/4.1=2, 6.3/3934=2 HD2 LYS 13 - HB2 LYS 90 lone 7 99 - 7 - HD2 LYS 47 - HB2 LYS 90 poor 7 73 - 10 - 7443/4.1=2, 6.3/3934=2 HD3 LYS 13 - HB2 LYS 90 lone 7 98 - 7 - HB2 LEU 2 - HB2 LYS 90 lone 5 99 - 5 - HG LEU 70 - HB2 LYS 90 lone 5 100 - 5 - HB3 LYS 40 - HB2 LYS 90 lone 4 84 - 4 - HD2 LYS 20 - HB2 LYS 90 lone 2 61 - 4 - HB3 LEU 70 - HB2 LYS 90 lone 2 61 - 4 - Peak 3932 from cnoeabs.peaks (2.81, 1.81, 32.09 ppm; 5.02 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 90 + HB2 LYS 90 OK 100 100 - 100 - 4.8=100 HE2 LYS 53 - HB2 LYS 90 OK 30 61 - 49 - 3954/2.8=8, 3943/1.8=7...(13) Peak 3933 from cnoeabs.peaks (2.94, 1.81, 32.09 ppm; 3.99 A): 2 out of 7 assignments used, quality = 0.99: * HE3 LYS 90 + HB2 LYS 90 OK 96 100 - 96 - 4.8=56, 3.0/3930=20...(25) HG2 MET 21 + HB2 LYS 90 OK 76 99 - 77 - 8556=16, 8546/3.0=16...(22) HE3 LYS 73 - HB2 LYS 90 OK 22 92 - 23 - 3955/2.8=3, 3944/1.8=3...(12) HE2 LYS 73 - HB2 LYS 90 OK 17 77 - 21 - 3955/2.8=2, 3944/1.8=2...(11) HE2 LYS 94 - HB2 LYS 90 OK 15 73 - 21 - 3.0/3929=2, 3955/2.8=2...(9) HB2 ASN 10 - HB2 LYS 90 lone 8 96 - 8 - 3977/3.6=1, 3920/3.0=1...(4) HB2 ASN 51 - HB2 LYS 90 lone 8 92 - 8 - 3920/3.0=1, 3955/2.8=1 Peak 3934 from cnoeabs.peaks (7.47, 1.81, 32.09 ppm; 3.97 A): 2 out of 5 assignments used, quality = 0.99: * H ARG 91 + HB2 LYS 90 OK 98 100 - 98 - 4.1=89, 7434/1.8=22...(16) HE ARG 46 + HB2 LYS 90 OK 51 100 - 51 - 11042=10, 3945/1.8=7...(16) H LYS 47 - HB2 LYS 90 OK 39 100 - 39 - 6765/1.8=7, 6765=6...(12) HD22 ASN 26 - HB2 LYS 90 OK 13 100 - 13 - 3921/3.0=2, 3945/1.8=2...(7) HE ARG 19 - HB2 LYS 90 lone 5 65 - 7 - 3.6/3929=1 Peak 3935 from cnoeabs.peaks (8.05, 1.83, 32.09 ppm; 3.40 A): 3 out of 6 assignments used, quality = 0.94: * H LYS 90 + HB3 LYS 90 OK 89 100 - 89 - 4.1=58, 3924/1.8=24...(13) H LYS 90 + HB2 LYS 68 OK 29 93 - 32 - 7418=9, 3.0/3914=5...(11) H SER 102 + HB3 LYS 90 OK 27 84 - 32 - 3924/1.8=7, 3946/2.8=4...(9) H GLU 17 - HB3 LYS 90 OK 17 70 - 25 - 3924/1.8=4, 3911/3.0=4...(10) H SER 102 - HB2 LYS 68 lone 5 73 - 6 - 7641/3.0=1 H GLU 17 - HB2 LYS 68 lone 2 60 - 3 - Peak 3936 from cnoeabs.peaks (3.67, 1.83, 32.09 ppm; 3.69 A): 4 out of 8 assignments used, quality = 1.00: * HA LYS 90 + HB3 LYS 90 OK 100 100 - 100 - 3.0=100 HA GLU 88 + HB3 LYS 90 OK 67 92 - 73 - 3925/1.8=12, 3.0/8603=10...(28) HB THR 80 + HB2 LYS 68 OK 51 82 - 63 - 2.1/10259=9, ~10256=9...(17) HA LYS 90 + HB2 LYS 68 OK 47 93 - 50 - 3914=9, 3.0/3927=6...(19) HB THR 80 - HB3 LYS 90 OK 25 92 - 27 - 2.1/10259=4, 3925/1.8=4...(11) HA LEU 14 - HB3 LYS 90 OK 18 84 - 21 - 3925/1.8=3, 7416/4.1=2...(12) HA GLU 88 - HB2 LYS 68 poor 9 82 - 11 - 3.0/8603=2, 9918/10259=1 HA LEU 14 - HB2 LYS 68 lone 6 73 - 8 - 587/2.9=1 Peak 3937 from cnoeabs.peaks (1.81, 1.83, 32.09 ppm; 2.40 A): 1 out of 16 assignments used, quality = 1.00: * HB2 LYS 90 + HB3 LYS 90 OK 100 100 - 100 - 1.8=100 HB2 GLU 88 - HB3 LYS 90 OK 36 100 - 37 - 1.8/10309=3, 3873/3.0=3...(21) HB2 LYS 90 - HB2 LYS 68 OK 28 93 - 30 - 3927=8, 3.0/3914=2...(13) HB ILE 93 - HB3 LYS 90 OK 23 94 - 25 - 4129/3.0=4, ~10027=2...(14) HB2 LYS 39 - HB2 LYS 68 OK 23 70 - 33 - 1.8/3001=4, 1683/1.8=3...(12) HB2 LEU 42 - HB3 LYS 90 OK 21 99 - 22 - 1913/2.8=2, 1.8/3939=2...(9) HG2 ARG 46 - HB3 LYS 90 OK 18 84 - 22 - 1.8/2099=3, 3.0/2081=2...(8) HB3 LEU 57 - HB3 LYS 90 OK 11 87 - 13 - 1.8/2612=2, ~2612=1 HB2 GLU 104 - HB3 LYS 90 OK 10 100 - 10 - HB2 LYS 39 - HB3 LYS 90 lone 5 81 - 6 - HB2 LEU 42 - HB2 LYS 68 lone 4 91 - 5 - 1917/4.0=1 HB2 GLU 104 - HB2 LYS 68 lone 4 92 - 4 - HG2 ARG 46 - HB2 LYS 68 lone 4 73 - 5 - HB2 GLU 88 - HB2 LYS 68 lone 4 92 - 4 - HB3 LEU 57 - HB2 LYS 68 lone 4 76 - 5 - HB ILE 93 - HB2 LYS 68 lone 2 84 - 3 - Peak 3938 from cnoeabs.peaks (1.83, 1.83, 32.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 90 + HB3 LYS 90 OK 100 100 - 100 HB2 LYS 68 + HB2 LYS 68 OK 92 92 - 100 Peak 3939 from cnoeabs.peaks (1.29, 1.83, 32.09 ppm; 3.54 A): 2 out of 8 assignments used, quality = 1.00: * HG2 LYS 90 + HB3 LYS 90 OK 100 100 - 100 - 2.8=100 HG2 LYS 90 + HB2 LYS 68 OK 47 93 - 51 - 3949=9, 1.8/3960=6...(17) HG2 ARG 30 - HB3 LYS 90 OK 39 97 - 40 - 3928/1.8=7, 3961/2.8=5...(16) HB3 LEU 42 - HB3 LYS 90 OK 36 73 - 49 - 3928/1.8=7, 3915/3.0=5...(24) HG LEU 3 - HB3 LYS 90 OK 30 87 - 35 - 2.1/8115=7, 3928/1.8=5...(14) HB3 LEU 42 - HB2 LYS 68 poor 7 63 - 11 - 1926/4.0=2, 4.6/2998=2, ~10788=1 HG LEU 3 - HB2 LYS 68 lone 5 76 - 7 - 2.1/8115=2 HG2 ARG 30 - HB2 LYS 68 lone 4 88 - 4 - Peak 3940 from cnoeabs.peaks (1.58, 1.83, 32.09 ppm; 3.34 A): 1 out of 28 assignments used, quality = 1.00: * HG3 LYS 90 + HB3 LYS 90 OK 100 100 - 100 - 2.8=100 HG3 LYS 90 - HB2 LYS 68 OK 43 93 - 46 - 3960=7, 1.8/3949=6...(16) HG2 LYS 24 - HB3 LYS 90 OK 35 100 - 35 - 3960=4, 3929/1.8=4...(15) HD3 LYS 94 - HB2 LYS 68 OK 24 70 - 34 - 4245/2.9=2, 3.0/3078=2...(9) HG3 LYS 12 - HB3 LYS 90 OK 22 92 - 25 - 3929/1.8=3, 3951/2.8=2...(10) HB3 LEU 29 - HB2 LYS 68 OK 20 76 - 26 - 3.1/8671=3, ~8512=2...(14) HG2 ARG 19 - HB2 LYS 68 OK 19 93 - 20 - 809/3.0=4, 4.0/2988=3...(6) HG3 LYS 12 - HB2 LYS 68 OK 17 82 - 21 - 3.0/3012=2, 3.0/3001=2...(5) HD3 LYS 94 - HB3 LYS 90 OK 15 81 - 19 - 3929/1.8=2, 3916/3.0=2...(7) HB2 ARG 30 - HB3 LYS 90 OK 15 61 - 24 - 2.9/3939=4, ~3928=3...(10) HD2 LYS 66 - HB2 LYS 68 OK 13 60 - 22 - ~2944=2, 2933/1.8=2...(6) HB2 LEU 103 - HB2 LYS 68 OK 12 93 - 13 - 3.0/2997=3, ~3009=2...(4) HB2 LEU 103 - HB3 LYS 90 OK 12 100 - 12 - 3929/1.8=2, 3951/2.8=1 HB3 LEU 29 - HB3 LYS 90 OK 11 87 - 12 - 3951/2.8=1, 3929/1.8=1...(4) HG LEU 103 - HB3 LYS 90 OK 11 100 - 11 - 3929/1.8=1, 3951/2.8=1 HG2 ARG 19 - HB3 LYS 90 lone 9 100 - 9 - 3929/1.8=1 HG LEU 27 - HB2 LYS 68 poor 8 70 - 11 - ~8640=1, ~10484=1 HG LEU 103 - HB2 LYS 68 lone 8 93 - 8 - 3.7/2997=2, ~12320=2 HG3 LYS 73 - HB3 LYS 90 lone 8 81 - 9 - 4.0/3944=1, 3929/1.8=1 HD2 LYS 66 - HB3 LYS 90 lone 7 70 - 10 - HG LEU 27 - HB3 LYS 90 lone 5 81 - 6 - HG2 LYS 24 - HB2 LYS 68 lone 4 93 - 5 - HB2 ARG 79 - HB2 LYS 68 lone 2 63 - 4 - HD3 LYS 82 - HB2 LYS 68 lone 2 56 - 4 - HD3 LYS 82 - HB3 LYS 90 lone 2 65 - 3 - HB2 ARG 79 - HB3 LYS 90 lone 2 73 - 2 - HG3 LYS 73 - HB2 LYS 68 lone 2 70 - 2 - HB2 ARG 30 - HB2 LYS 68 lone 1 52 - 2 - Peak 3941 from cnoeabs.peaks (1.74, 1.83, 32.09 ppm; 2.99 A): 4 out of 12 assignments used, quality = 0.95: * HD2 LYS 90 + HB3 LYS 90 OK 87 100 - 87 - 3.6=57, 3930/1.8=17...(26) HB ILE 15 + HB3 LYS 90 OK 31 92 - 35 - 3930/1.8=6, 3952/2.8=5...(11) HD2 LYS 90 + HB2 LYS 68 OK 27 93 - 29 - 3971=5, 2.9/3949=4...(9) HB2 GLU 28 + HB3 LYS 90 OK 15 100 - 15 - 3930/1.8=3, 3952/2.8=2...(7) HD3 LYS 33 - HB3 LYS 90 poor 8 77 - 10 - 3930/1.8=2, 3952/2.8=1, ~3930=1 HD2 LYS 33 - HB3 LYS 90 poor 8 77 - 10 - 3930/1.8=2, 3952/2.8=1, ~3930=1 HB2 GLU 28 - HB2 LYS 68 lone 7 92 - 7 - 3.0/2997=2, ~3009=1, 1236/2856=1 HB ILE 15 - HB2 LYS 68 lone 5 82 - 6 - HD2 ARG 81 - HB3 LYS 90 lone 4 81 - 5 - HD2 ARG 81 - HB2 LYS 68 lone 1 70 - 1 - HD3 LYS 33 - HB2 LYS 68 lone 1 67 - 1 - HD2 LYS 33 - HB2 LYS 68 lone 1 67 - 1 - Peak 3942 from cnoeabs.peaks (1.70, 1.83, 32.09 ppm; 2.99 A): 3 out of 38 assignments used, quality = 0.94: * HD3 LYS 90 + HB3 LYS 90 OK 87 100 - 87 - 3.6=56, 1.8/3941=15...(24) HB3 LYS 53 + HB3 LYS 90 OK 31 90 - 35 - 2406=7, 3.0/2384=3...(16) HG12 ILE 15 + HB3 LYS 90 OK 30 100 - 31 - 3982=5, 2.9/3941=4...(16) HD3 LYS 90 - HB2 LYS 68 OK 26 93 - 28 - 3982=5, 1.8/3941=5...(9) HD3 LYS 12 - HB3 LYS 90 OK 24 99 - 24 - 3982=3, 3931/1.8=2...(7) HD2 LYS 12 - HB3 LYS 90 OK 24 99 - 24 - 3982=3, 3931/1.8=2...(7) HG2 PRO 86 - HB3 LYS 90 OK 23 99 - 24 - 9887/3.0=4, ~9886=3...(12) HD2 LYS 24 - HB3 LYS 90 OK 21 100 - 22 - 3.0/3960=2, 3931/1.8=2...(6) HD3 LYS 24 - HB3 LYS 90 OK 21 100 - 22 - 3.0/3960=2, 3931/1.8=2...(7) HB3 ARG 91 - HB3 LYS 90 OK 21 81 - 26 - 3.9/7434=7, ~4024=4...(10) HD3 LYS 66 - HB2 LYS 68 OK 17 91 - 18 - 2944/1.8=2, ~2933=2, 2.9/3078=1 HB3 LYS 53 - HB2 LYS 68 OK 16 79 - 20 - 2406=4, 3.0/2384=2...(9) HB3 LYS 40 - HB2 LYS 68 OK 16 73 - 21 - 1797/2.9=2, 1800/2.9=2...(6) HD3 LYS 12 - HB2 LYS 68 OK 13 92 - 14 - 3982=2, 3.6/3012=2...(4) HD2 LYS 12 - HB2 LYS 68 OK 13 92 - 14 - 3982=2, 3.6/3012=2...(4) HD3 LYS 66 - HB3 LYS 90 lone 7 99 - 7 - HD2 LYS 20 - HB2 LYS 68 poor 6 52 - 12 - 3.0/3078=1, 3.0/3067=1 HG12 ILE 15 - HB2 LYS 68 lone 5 92 - 5 - HD3 LYS 47 - HB3 LYS 90 lone 5 77 - 6 - 7443/4.1=1 HD2 LYS 13 - HB3 LYS 90 lone 5 99 - 5 - HD2 LYS 47 - HB3 LYS 90 lone 5 73 - 6 - 7443/4.1=1 HD3 LYS 13 - HB3 LYS 90 lone 4 98 - 4 - HB2 LEU 2 - HB3 LYS 90 lone 3 99 - 3 - HG LEU 70 - HB3 LYS 90 lone 3 100 - 3 - HB3 ARG 91 - HB2 LYS 68 lone 3 70 - 4 - 3.9/7434=2 HG2 PRO 86 - HB2 LYS 68 lone 2 92 - 2 - HB3 LYS 40 - HB3 LYS 90 lone 2 84 - 3 - HD2 LYS 24 - HB2 LYS 68 lone 2 93 - 2 - HD3 LYS 24 - HB2 LYS 68 lone 2 93 - 2 - HB2 LEU 2 - HB2 LYS 68 lone 2 91 - 2 - HG LEU 70 - HB2 LYS 68 lone 2 93 - 2 - HD2 LYS 20 - HB3 LYS 90 lone 2 61 - 3 - HD2 LYS 13 - HB2 LYS 68 lone 1 92 - 1 - HB3 LEU 70 - HB3 LYS 90 lone 1 61 - 2 - HD3 LYS 13 - HB2 LYS 68 lone 1 89 - 1 - HD3 LYS 47 - HB2 LYS 68 lone 1 67 - 1 - HD2 LYS 47 - HB2 LYS 68 lone 1 63 - 1 - HB3 LEU 70 - HB2 LYS 68 lone 1 52 - 1 - Peak 3943 from cnoeabs.peaks (2.81, 1.83, 32.09 ppm; 5.16 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 90 + HB3 LYS 90 OK 100 100 - 100 - 4.8=100 HE2 LYS 90 + HB2 LYS 68 OK 49 93 - 53 - 3993=9, 1.8/4004=9...(10) HE2 LYS 53 - HB3 LYS 90 OK 36 61 - 59 - 3932/1.8=10, 3954/2.8=9...(17) HE2 LYS 53 - HB2 LYS 68 OK 14 52 - 27 - 3.0/2450=4, 3.0/2439=4...(8) Peak 3944 from cnoeabs.peaks (2.94, 1.83, 32.09 ppm; 3.84 A): 2 out of 14 assignments used, quality = 0.98: * HE3 LYS 90 + HB3 LYS 90 OK 94 100 - 94 - 4.8=50, 4006/2.8=19...(24) HG2 MET 21 + HB3 LYS 90 OK 67 99 - 68 - 8546/3.0=15, 8556/1.8=12...(19) HE3 LYS 90 - HB2 LYS 68 OK 34 93 - 36 - 1.8/3993=7, 4004=7...(9) HE2 LYS 94 - HB2 LYS 68 OK 24 63 - 37 - 1.8/3078=3, ~3029=2...(17) HG2 MET 21 - HB2 LYS 68 OK 21 92 - 23 - 8545/3.0=10, ~8542=4...(5) HE3 LYS 73 - HB3 LYS 90 OK 21 92 - 22 - 3933/1.8=3, 3955/2.8=3...(10) HE2 LYS 73 - HB3 LYS 90 OK 16 77 - 20 - 3933/1.8=2, ~3933=2...(10) HE2 LYS 94 - HB3 LYS 90 OK 13 73 - 18 - 3933/1.8=2, 3955/2.8=2...(9) HB2 ASN 10 - HB3 LYS 90 lone 8 96 - 8 - 3933/1.8=1, 3977/3.6=1 HB2 ASN 51 - HB3 LYS 90 lone 7 92 - 8 - 3920/3.0=1, 3933/1.8=1 HE3 LYS 73 - HB2 LYS 68 lone 2 82 - 3 - HB2 ASN 51 - HB2 LYS 68 lone 2 82 - 2 - HE2 LYS 73 - HB2 LYS 68 lone 2 67 - 2 - HB2 ASN 10 - HB2 LYS 68 lone 1 86 - 1 - Peak 3945 from cnoeabs.peaks (7.47, 1.83, 32.09 ppm; 4.08 A): 2 out of 10 assignments used, quality = 1.00: * H ARG 91 + HB3 LYS 90 OK 99 100 - 99 - 4.1=96, 7431/4.1=22...(14) HE ARG 46 + HB3 LYS 90 OK 51 100 - 51 - 3934/1.8=10, 3921/3.0=6...(17) H LYS 47 - HB3 LYS 90 OK 44 100 - 44 - 6765=9, 3934/1.8=7...(12) H ARG 91 - HB2 LYS 68 OK 26 93 - 28 - 3.6/3914=6, 7434=5...(8) HD22 ASN 26 - HB3 LYS 90 OK 14 100 - 14 - 3934/1.8=3, 3921/3.0=2...(7) HE ARG 46 - HB2 LYS 68 OK 11 93 - 12 - 2.9/2108=1, 2.9/2117=1 H LYS 47 - HB2 LYS 68 OK 11 93 - 11 - 6765=2, 3.6/2061=1 HE ARG 19 - HB2 LYS 68 poor 6 56 - 11 - 6.5/2999=2, ~784=2...(7) HE ARG 19 - HB3 LYS 90 lone 5 65 - 8 - HD22 ASN 26 - HB2 LYS 68 lone 3 93 - 3 - Peak 3946 from cnoeabs.peaks (8.05, 1.29, 25.29 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.97: * H LYS 90 + HG2 LYS 90 OK 97 100 - 97 - 4.9=66, 3924/2.8=27...(19) H SER 102 - HG2 LYS 90 OK 36 84 - 42 - 3924/2.8=8, 3957/1.8=8...(10) H GLU 17 - HG2 LYS 90 OK 26 70 - 38 - 4.0/10310=6, 3957/1.8=6...(9) Peak 3947 from cnoeabs.peaks (3.67, 1.29, 25.29 ppm; 3.96 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 90 + HG2 LYS 90 OK 100 100 - 100 - 4.0=100 HA GLU 88 + HG2 LYS 90 OK 61 92 - 67 - 3925/2.8=11, 7412/4.9=8...(23) HB THR 80 - HG2 LYS 90 OK 24 92 - 26 - ~10259=4, 3925/2.8=4...(9) HA LEU 14 - HG2 LYS 90 OK 16 84 - 19 - 3925/2.8=3, 3969/2.9=3...(8) Peak 3948 from cnoeabs.peaks (1.81, 1.29, 25.29 ppm; 3.56 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LYS 90 + HG2 LYS 90 OK 100 100 - 100 - 2.8=100 HB2 GLU 88 + HG2 LYS 90 OK 60 100 - 60 - 3.0/3947=7, 3959/1.8=6...(25) HB2 LEU 42 + HG2 LYS 90 OK 49 99 - 49 - 3959/1.8=5, 1913=5...(24) HB ILE 93 - HG2 LYS 90 OK 42 94 - 45 - 4129/4.0=9, 3.0/10310=6...(15) HB2 GLU 104 - HG2 LYS 90 OK 20 100 - 20 - 3959/1.8=2, 3.0/11077=2...(10) HG2 ARG 46 - HG2 LYS 90 OK 20 84 - 23 - 3.6/3956=3, 3937/2.8=2...(11) HB3 LEU 57 - HG2 LYS 90 OK 13 87 - 15 - ~2612=2, 3937/2.8=1...(5) HB2 LYS 39 - HG2 LYS 90 OK 11 81 - 13 - 3.0/1679=1, 3959/1.8=1 Peak 3949 from cnoeabs.peaks (1.83, 1.29, 25.29 ppm; 3.80 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 90 + HG2 LYS 90 OK 100 100 - 100 - 2.8=100 HB2 LYS 68 + HG2 LYS 90 OK 55 99 - 56 - 3939=9, 3960/1.8=7...(18) HB2 LYS 53 - HG2 LYS 90 OK 44 97 - 46 - 3960/1.8=6, 3971/2.9=5...(19) HG2 ARG 46 - HG2 LYS 90 OK 33 94 - 36 - 3927/2.8=5, 3960/1.8=4...(15) HB3 LEU 57 - HG2 LYS 90 OK 21 92 - 23 - 3927/2.8=3, 3960/1.8=3...(13) Peak 3950 from cnoeabs.peaks (1.29, 1.29, 25.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 90 + HG2 LYS 90 OK 100 100 - 100 Peak 3951 from cnoeabs.peaks (1.58, 1.29, 25.29 ppm; 3.04 A): 1 out of 14 assignments used, quality = 1.00: * HG3 LYS 90 + HG2 LYS 90 OK 100 100 - 100 - 1.8=100 HG2 LYS 24 - HG2 LYS 90 OK 32 100 - 32 - 3961=6, 3973/2.9=3...(13) HG3 LYS 12 - HG2 LYS 90 OK 20 92 - 22 - 3973/2.9=2, 3929/2.8=2...(8) HB2 ARG 30 - HG2 LYS 90 OK 18 61 - 29 - 1.8/1333=4, 3.0/1315=2...(14) HD3 LYS 94 - HG2 LYS 90 OK 13 81 - 16 - 3.5/10310=2, 3929/2.8=1...(5) HB3 LEU 29 - HG2 LYS 90 OK 12 87 - 13 - 3.0/10285=2, 4.3/6485=2 HB2 LEU 103 - HG2 LYS 90 lone 9 100 - 9 - 3929/2.8=1 HG LEU 103 - HG2 LYS 90 lone 8 100 - 8 - HG2 ARG 19 - HG2 LYS 90 lone 7 100 - 7 - HG3 LYS 73 - HG2 LYS 90 lone 7 81 - 8 - 4.0/3955=1 HD2 LYS 66 - HG2 LYS 90 lone 5 70 - 7 - HG LEU 27 - HG2 LYS 90 lone 4 81 - 4 - HB2 ARG 79 - HG2 LYS 90 lone 2 73 - 2 - HD3 LYS 82 - HG2 LYS 90 lone 1 65 - 2 - Peak 3952 from cnoeabs.peaks (1.74, 1.29, 25.29 ppm; 3.52 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 90 + HG2 LYS 90 OK 100 100 - 100 - 2.9=100 HB ILE 15 + HG2 LYS 90 OK 47 92 - 52 - 3963/1.8=7, 3930/2.8=6...(22) HB2 GLU 28 - HG2 LYS 90 OK 22 100 - 22 - 3963/1.8=3, 3930/2.8=3...(11) HD3 LYS 33 - HG2 LYS 90 OK 11 77 - 14 - 3963/1.8=2, 3930/2.8=2...(5) HD2 LYS 33 - HG2 LYS 90 OK 11 77 - 14 - 3963/1.8=2, 3930/2.8=2...(5) HD2 ARG 81 - HG2 LYS 90 lone 7 81 - 8 - 3963/1.8=1 Peak 3953 from cnoeabs.peaks (1.70, 1.29, 25.29 ppm; 3.51 A): 2 out of 19 assignments used, quality = 1.00: * HD3 LYS 90 + HG2 LYS 90 OK 100 100 - 100 - 2.9=100 HG12 ILE 15 + HG2 LYS 90 OK 48 100 - 48 - 2.9/3952=7, 3983=6...(21) HD3 LYS 12 - HG2 LYS 90 OK 35 99 - 36 - 3983=3, 3975/2.9=3...(14) HD2 LYS 12 - HG2 LYS 90 OK 35 99 - 36 - 3983=3, 3975/2.9=3...(14) HB3 LYS 53 - HG2 LYS 90 OK 33 90 - 37 - 1.8/3949=6, 2406/2.8=5...(16) HD2 LYS 24 - HG2 LYS 90 OK 32 100 - 33 - 3.0/3951=4, 3975/2.9=2...(17) HD3 LYS 24 - HG2 LYS 90 OK 32 100 - 33 - 3.0/3951=4, 3975/2.9=2...(17) HG2 PRO 86 - HG2 LYS 90 OK 26 99 - 26 - 9887/4.0=4, 2.3/11077=3...(15) HB3 ARG 91 - HG2 LYS 90 OK 19 81 - 24 - 3.9/7435=9, 4034/4.0=3...(8) HD3 LYS 66 - HG2 LYS 90 lone 10 99 - 10 - HD2 LYS 13 - HG2 LYS 90 lone 7 99 - 7 - HD3 LYS 13 - HG2 LYS 90 lone 7 98 - 7 - HB2 LEU 2 - HG2 LYS 90 lone 7 99 - 7 - 4.6/6027=1 HD3 LYS 47 - HG2 LYS 90 lone 5 77 - 7 - 6.3/3956=1 HD2 LYS 47 - HG2 LYS 90 lone 5 73 - 7 - 6.3/3956=1 HG LEU 70 - HG2 LYS 90 lone 5 100 - 5 - HB3 LYS 40 - HG2 LYS 90 lone 3 84 - 3 - HB3 LEU 70 - HG2 LYS 90 lone 2 61 - 3 - HD2 LYS 20 - HG2 LYS 90 lone 2 61 - 3 - Peak 3954 from cnoeabs.peaks (2.81, 1.29, 25.29 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 90 + HG2 LYS 90 OK 100 100 - 100 - 3.8=100 HE2 LYS 53 - HG2 LYS 90 OK 31 61 - 50 - 3932/2.8=7, 3965/1.8=7...(17) Peak 3955 from cnoeabs.peaks (2.94, 1.29, 25.29 ppm; 4.48 A): 2 out of 7 assignments used, quality = 1.00: * HE3 LYS 90 + HG2 LYS 90 OK 100 100 - 100 - 3.8=100 HG2 MET 21 + HG2 LYS 90 OK 66 99 - 66 - 8546/4.0=16, 8556/2.8=12...(15) HE3 LYS 73 - HG2 LYS 90 OK 28 92 - 30 - 3977/2.9=3, 3933/2.8=3...(15) HE2 LYS 73 - HG2 LYS 90 OK 21 77 - 28 - 3977/2.9=3, 3933/2.8=3...(15) HE2 LYS 94 - HG2 LYS 90 OK 20 73 - 27 - 4.8/10310=4, 3.0/3951=2...(11) HB2 ASN 10 - HG2 LYS 90 poor 10 96 - 10 - 3977/2.9=2, 3933/2.8=1...(5) HB2 ASN 51 - HG2 LYS 90 poor 10 92 - 10 - 3977/2.9=1, 3920/4.0=1...(4) Peak 3956 from cnoeabs.peaks (7.47, 1.29, 25.29 ppm; 5.85 A): 3 out of 5 assignments used, quality = 0.98: * H ARG 91 + HG2 LYS 90 OK 92 100 - 92 - 7431/4.9=32, 7437/2.9=28...(15) HE ARG 46 + HG2 LYS 90 OK 58 100 - 58 - 11042/2.8=13, 3978/2.9=9...(11) H LYS 47 + HG2 LYS 90 OK 48 100 - 48 - 6765/2.8=10, 3934/2.8=9...(9) HD22 ASN 26 - HG2 LYS 90 OK 23 100 - 22 - 3978/2.9=4, 3967/1.8=3...(7) HE ARG 19 - HG2 LYS 90 poor 9 65 - 13 - 3967/1.8=2, 3978/2.9=2...(5) Peak 3957 from cnoeabs.peaks (8.05, 1.58, 25.29 ppm; 3.96 A): 2 out of 6 assignments used, quality = 0.96: * H LYS 90 + HG3 LYS 90 OK 94 100 - 94 - 4.9=52, 7419/1.8=26...(17) H SER 102 + HG3 LYS 90 OK 33 84 - 40 - 3946/1.8=8, 3924/2.8=7...(9) H LYS 90 - HG2 LYS 24 OK 30 77 - 40 - 9950/3.7=8, 7420=8...(14) H GLU 17 - HG3 LYS 90 OK 25 70 - 36 - 3946/1.8=6, 4.0/12027=5...(10) H SER 102 - HG2 LYS 24 lone 3 58 - 5 - H GLU 17 - HG2 LYS 24 lone 3 46 - 6 - 7398/5.1=1 Peak 3958 from cnoeabs.peaks (3.67, 1.58, 25.29 ppm; 4.42 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 90 + HG3 LYS 90 OK 100 100 - 100 - 4.0=100 HA GLU 88 + HG3 LYS 90 OK 69 92 - 75 - 3947/1.8=13, 3925/2.8=13...(24) HA LYS 90 - HG2 LYS 24 OK 32 77 - 42 - 3916=6, 3.0/7420=6...(15) HB THR 80 - HG3 LYS 90 OK 30 92 - 32 - 3947/1.8=5, ~10259=5...(10) HA GLU 88 - HG2 LYS 24 OK 29 65 - 44 - 3862/5.1=6, ~1095=5...(20) HA LEU 14 - HG3 LYS 90 OK 21 84 - 25 - 3947/1.8=4, 3925/2.8=3...(11) HA LEU 14 - HG2 LYS 24 OK 12 58 - 21 - 8422/3.7=7, ~6192=2...(4) HB THR 80 - HG2 LYS 24 lone 3 65 - 4 - Peak 3959 from cnoeabs.peaks (1.81, 1.58, 25.29 ppm; 3.50 A): 3 out of 16 assignments used, quality = 1.00: * HB2 LYS 90 + HG3 LYS 90 OK 100 100 - 100 - 2.8=100 HB2 GLU 88 + HG3 LYS 90 OK 59 100 - 59 - 3948/1.8=7, 3873/4.0=6...(24) HB2 LEU 42 + HG3 LYS 90 OK 46 99 - 47 - 1913/1.8=6, 1.8/3961=5...(22) HB ILE 93 - HG3 LYS 90 OK 40 94 - 42 - 4129/4.0=8, 2.1/11000=5...(15) HB2 LYS 90 - HG2 LYS 24 OK 28 77 - 37 - 3929=6, 2.8/3951=4...(14) HB2 GLU 104 - HG3 LYS 90 OK 20 100 - 20 - 3948/1.8=2, 3873/4.0=2...(9) HG2 ARG 46 - HG3 LYS 90 OK 18 84 - 22 - 3937/2.8=2, ~2099=2...(11) HB2 GLU 88 - HG2 LYS 24 OK 13 76 - 17 - 3872/5.1=3, 3.9/6385=2...(8) HB3 LEU 57 - HG3 LYS 90 OK 12 87 - 14 - ~2612=2, 3948/1.8=1...(5) HB2 LYS 39 - HG3 LYS 90 poor 10 81 - 12 - 3948/1.8=1, ~1679=1 HG2 ARG 46 - HG2 LYS 24 lone 5 58 - 8 - HB ILE 93 - HG2 LYS 24 lone 3 68 - 5 - HB2 LEU 42 - HG2 LYS 24 lone 3 74 - 5 - HB2 GLU 104 - HG2 LYS 24 lone 3 76 - 3 - HB3 LEU 57 - HG2 LYS 24 lone 2 61 - 4 - HB2 LYS 39 - HG2 LYS 24 lone 1 55 - 2 - Peak 3960 from cnoeabs.peaks (1.83, 1.58, 25.29 ppm; 3.50 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 90 + HG3 LYS 90 OK 100 100 - 100 - 2.8=100 HB2 LYS 68 + HG3 LYS 90 OK 48 99 - 48 - 3949/1.8=7, 3927/2.8=6...(17) HB2 LYS 53 - HG3 LYS 90 OK 39 97 - 40 - 3949/1.8=6, 3971/2.9=5...(17) HB3 LYS 90 - HG2 LYS 24 OK 28 77 - 37 - 1.8/3929=5, 2.8/3951=4...(16) HG2 ARG 46 - HG3 LYS 90 OK 28 94 - 30 - 3927/2.8=5, 3949/1.8=4...(14) HB3 LEU 57 - HG3 LYS 90 OK 18 92 - 19 - 3927/2.8=3, 3949/1.8=3...(11) HG2 ARG 46 - HG2 LYS 24 lone 6 68 - 9 - 2089/2.9=1, 2089/2.9=1 HB2 LYS 68 - HG2 LYS 24 lone 4 75 - 5 - HB3 LEU 57 - HG2 LYS 24 lone 3 65 - 4 - HB2 LYS 53 - HG2 LYS 24 lone 3 71 - 4 - Peak 3961 from cnoeabs.peaks (1.29, 1.58, 25.29 ppm; 3.09 A): 1 out of 8 assignments used, quality = 1.00: * HG2 LYS 90 + HG3 LYS 90 OK 100 100 - 100 - 1.8=100 HG2 ARG 30 - HG3 LYS 90 OK 31 97 - 32 - 3928/2.8=4, 3972/2.9=4...(13) HB3 LEU 42 - HG3 LYS 90 OK 28 73 - 38 - 3928/2.8=4, 1.8/3959=4...(20) HG2 LYS 90 - HG2 LYS 24 OK 26 77 - 34 - 3951=7, 2.9/3973=3...(13) HG LEU 3 - HG3 LYS 90 OK 23 87 - 26 - 3928/2.8=3, 3972/2.9=3...(13) HG2 ARG 30 - HG2 LYS 24 lone 2 71 - 2 - HG LEU 3 - HG2 LYS 24 lone 1 61 - 2 - HB3 LEU 42 - HG2 LYS 24 lone 1 49 - 3 - Peak 3962 from cnoeabs.peaks (1.58, 1.58, 25.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 90 + HG3 LYS 90 OK 100 100 - 100 HG2 LYS 24 + HG2 LYS 24 OK 77 77 - 100 Peak 3963 from cnoeabs.peaks (1.74, 1.58, 25.29 ppm; 3.20 A): 1 out of 12 assignments used, quality = 1.00: * HD2 LYS 90 + HG3 LYS 90 OK 100 100 - 100 - 2.9=100 HB ILE 15 - HG3 LYS 90 OK 41 92 - 45 - 3952/1.8=7, 3930/2.8=5...(18) HD2 LYS 90 - HG2 LYS 24 OK 26 77 - 34 - 3973=6, 2.9/3951=4...(12) HB2 GLU 28 - HG3 LYS 90 OK 18 100 - 18 - 3952/1.8=3, 3930/2.8=3...(8) HD3 LYS 33 - HG3 LYS 90 poor 10 77 - 12 - 3952/1.8=2, 3930/2.8=1...(4) HD2 LYS 33 - HG3 LYS 90 poor 10 77 - 12 - 3952/1.8=2, 3930/2.8=1...(4) HD2 LYS 33 - HG2 LYS 24 poor 6 52 - 11 - 3.0/1099=1, ~1451=1 HD3 LYS 33 - HG2 LYS 24 poor 6 52 - 11 - 3.0/1099=1, ~1451=1 HD2 ARG 81 - HG3 LYS 90 lone 6 81 - 7 - 3952/1.8=1 HB ILE 15 - HG2 LYS 24 lone 5 65 - 7 - HB2 GLU 28 - HG2 LYS 24 lone 1 76 - 2 - HD2 ARG 81 - HG2 LYS 24 lone 0 55 - 1 - Peak 3964 from cnoeabs.peaks (1.70, 1.58, 25.29 ppm; 2.92 A): 3 out of 38 assignments used, quality = 1.00: * HD3 LYS 90 + HG3 LYS 90 OK 99 100 - 99 - 2.9=98, 3.0/4006=11...(20) HD3 LYS 24 + HG2 LYS 24 OK 76 77 - 99 - 3.0=97, 1101/1.8=9...(25) HD2 LYS 24 + HG2 LYS 24 OK 76 77 - 99 - 3.0=97, 1101/1.8=9...(25) HG12 ILE 15 - HG3 LYS 90 OK 34 100 - 35 - 2.9/3963=4, 3975/2.9=3...(16) HD3 LYS 24 - HG3 LYS 90 OK 25 100 - 26 - 3.0/1099=2, 3953/1.8=2...(12) HD2 LYS 24 - HG3 LYS 90 OK 25 100 - 26 - 3.0/1099=2, 3953/1.8=2...(12) HD3 LYS 12 - HG2 LYS 24 OK 25 75 - 33 - 3.0/464=3, 1102/1.8=2...(8) HD2 LYS 12 - HG2 LYS 24 OK 25 75 - 33 - 3.0/464=3, 1102/1.8=2...(8) HD3 LYS 12 - HG3 LYS 90 OK 24 99 - 24 - 3953/1.8=2, 3975/2.9=2...(9) HD2 LYS 12 - HG3 LYS 90 OK 24 99 - 24 - 3953/1.8=2, 3975/2.9=2...(9) HB3 LYS 53 - HG3 LYS 90 OK 23 90 - 25 - 1.8/3960=4, 2406/2.8=4...(14) HD3 LYS 90 - HG2 LYS 24 OK 20 77 - 27 - 1.8/3973=4, 2.9/3951=3...(10) HD2 LYS 13 - HG2 LYS 24 OK 19 75 - 26 - 1102/1.8=2, 1121=1...(7) HD3 LYS 13 - HG2 LYS 24 OK 19 73 - 26 - 1102/1.8=2, ~1102=1...(8) HG2 PRO 86 - HG3 LYS 90 OK 18 99 - 19 - 9887/4.0=3, 3953/1.8=2...(8) HB3 ARG 91 - HG3 LYS 90 OK 11 81 - 14 - 3.9/7436=4, 4034/4.0=2...(6) HD3 LYS 47 - HG2 LYS 24 OK 10 52 - 20 - 1101/1.8=1 HD2 LYS 47 - HG2 LYS 24 poor 10 49 - 20 - 1101/1.8=1 HD3 LYS 66 - HG3 LYS 90 lone 7 99 - 7 - HG2 PRO 86 - HG2 LYS 24 lone 7 75 - 9 - 3831/3.7=2 HD3 LYS 66 - HG2 LYS 24 lone 7 74 - 9 - HD2 LYS 13 - HG3 LYS 90 lone 6 99 - 5 - HB2 LEU 2 - HG2 LYS 24 lone 6 74 - 7 - 56/1.8=1 HD3 LYS 13 - HG3 LYS 90 lone 5 98 - 5 - HG12 ILE 15 - HG2 LYS 24 lone 4 76 - 6 - HB2 LEU 2 - HG3 LYS 90 lone 4 99 - 4 - HD3 LYS 47 - HG3 LYS 90 lone 3 77 - 4 - HD2 LYS 47 - HG3 LYS 90 lone 3 73 - 4 - HG LEU 70 - HG3 LYS 90 lone 3 100 - 3 - HB3 ARG 91 - HG2 LYS 24 lone 2 55 - 4 - 3.9/7436=1 HG LEU 70 - HG2 LYS 24 lone 2 77 - 2 - HB3 LYS 40 - HG3 LYS 90 lone 2 84 - 2 - HB3 LYS 53 - HG2 LYS 24 lone 1 63 - 2 - HB3 LEU 70 - HG3 LYS 90 lone 1 61 - 2 - HD2 LYS 20 - HG3 LYS 90 lone 1 61 - 2 - HB3 LEU 70 - HG2 LYS 24 lone 1 40 - 2 - HB3 LYS 40 - HG2 LYS 24 lone 1 58 - 1 - HD2 LYS 20 - HG2 LYS 24 lone 0 40 - 1 - Peak 3965 from cnoeabs.peaks (2.81, 1.58, 25.29 ppm; 4.96 A): 1 out of 4 assignments used, quality = 1.00: * HE2 LYS 90 + HG3 LYS 90 OK 100 100 - 100 - 3.8=100 HE2 LYS 90 - HG2 LYS 24 OK 36 77 - 48 - 3995=7, 3.0/3973=6...(18) HE2 LYS 53 - HG3 LYS 90 OK 31 61 - 51 - 3954/1.8=10, 3932/2.8=8...(17) HE2 LYS 53 - HG2 LYS 24 lone 3 40 - 8 - Peak 3966 from cnoeabs.peaks (2.94, 1.58, 25.29 ppm; 4.35 A): 2 out of 14 assignments used, quality = 1.00: * HE3 LYS 90 + HG3 LYS 90 OK 100 100 - 100 - 3.8=100 HG2 MET 21 + HG3 LYS 90 OK 65 99 - 66 - 8546/4.0=15, 8556/2.8=12...(16) HE3 LYS 90 - HG2 LYS 24 OK 31 77 - 41 - 1.8/3965=7, 4006=6...(17) HE3 LYS 73 - HG2 LYS 24 OK 28 65 - 43 - 6.7/9954=5, 3319/1.8=3...(22) HE3 LYS 73 - HG3 LYS 90 OK 28 92 - 30 - 3955/1.8=4, 3977/2.9=3...(15) HE2 LYS 73 - HG3 LYS 90 OK 22 77 - 28 - 3955/1.8=3, ~3955=3...(14) HE2 LYS 73 - HG2 LYS 24 OK 21 52 - 41 - 6.7/9954=5, 1.8/3320=2...(20) HE2 LYS 94 - HG3 LYS 90 OK 19 73 - 25 - 3955/1.8=3, 3933/2.8=2...(9) HB2 ASN 10 - HG3 LYS 90 lone 10 96 - 10 - 3977/2.9=2, 3955/1.8=2...(4) HB2 ASN 51 - HG3 LYS 90 lone 9 92 - 10 - 3955/1.8=1, 3977/2.9=1...(4) HG2 MET 21 - HG2 LYS 24 poor 8 75 - 11 - 3.9/8565=2 HE2 LYS 94 - HG2 LYS 24 lone 3 49 - 5 - HB2 ASN 51 - HG2 LYS 24 lone 2 65 - 3 - HB2 ASN 10 - HG2 LYS 24 lone 1 70 - 2 - Peak 3967 from cnoeabs.peaks (7.47, 1.58, 25.29 ppm; 5.69 A): 3 out of 10 assignments used, quality = 0.98: * H ARG 91 + HG3 LYS 90 OK 91 100 - 91 - 7431/4.9=31, 7437/2.9=28...(12) HE ARG 46 + HG3 LYS 90 OK 58 100 - 58 - 11042/2.8=13...(10) H LYS 47 + HG3 LYS 90 OK 49 100 - 49 - 6765/2.8=10, 3934/2.8=9...(7) H LYS 47 - HG2 LYS 24 OK 32 77 - 41 - ~2124=4, 6764/2.9=4...(17) H ARG 91 - HG2 LYS 24 OK 29 77 - 37 - 4.6/7420=6, 4.1/3929=6...(10) HD22 ASN 26 - HG3 LYS 90 OK 23 100 - 22 - 3956/1.8=4, 3978/2.9=4...(7) HE ARG 46 - HG2 LYS 24 OK 13 77 - 16 - 11041/2.9=2, 11041/2.9=2...(7) HE ARG 19 - HG3 LYS 90 OK 11 65 - 16 - 3956/1.8=2, 3978/2.9=1...(7) HD22 ASN 26 - HG2 LYS 24 lone 5 77 - 7 - 5.5/8618=2 HE ARG 19 - HG2 LYS 24 lone 3 43 - 6 - Peak 3968 from cnoeabs.peaks (8.05, 1.74, 29.44 ppm; 4.50 A): 1 out of 3 assignments used, quality = 0.96: * H LYS 90 + HD2 LYS 90 OK 96 100 - 96 - 6.1=40, 7419/2.9=25...(18) H SER 102 - HD2 LYS 90 OK 36 84 - 43 - 3946/2.9=8, 3924/3.6=7...(9) H GLU 17 - HD2 LYS 90 OK 29 70 - 42 - 5.1/12232=10, 3946/2.9=6...(11) Peak 3969 from cnoeabs.peaks (3.67, 1.74, 29.44 ppm; 4.86 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 90 + HD2 LYS 90 OK 100 100 - 100 - 5.2=82, 3.0/3930=25...(32) HA GLU 88 + HD2 LYS 90 OK 66 92 - 72 - 3925/3.6=13, 3947/2.9=12...(22) HB THR 80 - HD2 LYS 90 OK 33 92 - 35 - 2.1/9729=5, 3947/2.9=5...(11) HA LEU 14 - HD2 LYS 90 OK 25 84 - 30 - 3.6/6217=5, 3947/2.9=3...(12) Peak 3970 from cnoeabs.peaks (1.81, 1.74, 29.44 ppm; 3.36 A): 1 out of 8 assignments used, quality = 0.96: * HB2 LYS 90 + HD2 LYS 90 OK 96 100 - 96 - 3.6=80, 1.8/3941=18...(27) HB2 GLU 88 - HD2 LYS 90 OK 40 100 - 41 - 3948/2.9=5, 3.0/3969=4...(17) HB2 LEU 42 - HD2 LYS 90 OK 36 99 - 36 - 1.8/3972=5, 1913/2.9=4...(16) HB ILE 93 - HD2 LYS 90 OK 30 94 - 32 - 4129/5.2=5, ~11000=4...(12) HG2 ARG 46 - HD2 LYS 90 OK 12 84 - 14 - 3.6/3978=3, 3937/3.6=2...(5) HB2 GLU 104 - HD2 LYS 90 OK 12 100 - 11 - 3948/2.9=2, 3959/2.9=1...(6) HB3 LEU 57 - HD2 LYS 90 lone 7 87 - 8 - 3948/2.9=1, 3937/3.6=1 HB2 LYS 39 - HD2 LYS 90 lone 6 81 - 8 - Peak 3971 from cnoeabs.peaks (1.83, 1.74, 29.44 ppm; 3.60 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 90 + HD2 LYS 90 OK 100 100 - 100 - 3.6=98, 1.8/3930=23...(26) HB2 LYS 68 - HD2 LYS 90 OK 39 99 - 39 - 3941=7, 3949/2.9=6...(9) HB2 LYS 53 - HD2 LYS 90 OK 38 97 - 39 - 3982/1.8=5, 3949/2.9=5...(16) HG2 ARG 46 - HD2 LYS 90 OK 23 94 - 25 - 3927/3.6=4, 3.6/3978=3...(10) HB3 LEU 57 - HD2 LYS 90 OK 13 92 - 14 - 3927/3.6=2, 3949/2.9=2...(7) Peak 3972 from cnoeabs.peaks (1.29, 1.74, 29.44 ppm; 3.63 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 90 + HD2 LYS 90 OK 100 100 - 100 - 2.9=100 HG2 ARG 30 - HD2 LYS 90 OK 38 97 - 39 - 3961/2.9=5, 3928/3.6=5...(15) HB3 LEU 42 - HD2 LYS 90 OK 34 73 - 46 - 1.8/3970=6, 3928/3.6=5...(20) HG LEU 3 - HD2 LYS 90 OK 28 87 - 32 - 3961/2.9=4, 4005/3.0=3...(15) Peak 3973 from cnoeabs.peaks (1.58, 1.74, 29.44 ppm; 3.34 A): 1 out of 14 assignments used, quality = 1.00: * HG3 LYS 90 + HD2 LYS 90 OK 100 100 - 100 - 2.9=100 HG2 LYS 24 - HD2 LYS 90 OK 35 100 - 36 - 3963=6, 3951/2.9=4...(14) HG3 LYS 12 - HD2 LYS 90 OK 26 92 - 29 - 4006/3.0=3, 3951/2.9=2...(9) HB2 ARG 30 - HD2 LYS 90 OK 15 61 - 24 - 2.9/3972=5, ~1333=2...(11) HB3 LEU 29 - HD2 LYS 90 OK 12 87 - 14 - 4.0/6463=2, 3.1/10499=2 HD3 LYS 94 - HD2 LYS 90 OK 12 81 - 15 - 3951/2.9=2, 3929/3.6=1...(6) HB2 LEU 103 - HD2 LYS 90 OK 10 100 - 10 - 3951/2.9=1, 4006/3.0=1 HG LEU 103 - HD2 LYS 90 lone 9 100 - 9 - 3951/2.9=1 HG3 LYS 73 - HD2 LYS 90 lone 8 81 - 10 - 4.0/3977=2, 4.0/3977=1 HG2 ARG 19 - HD2 LYS 90 lone 8 100 - 8 - HD2 LYS 66 - HD2 LYS 90 lone 6 70 - 8 - HG LEU 27 - HD2 LYS 90 lone 4 81 - 5 - HB2 ARG 79 - HD2 LYS 90 lone 2 73 - 2 - HD3 LYS 82 - HD2 LYS 90 lone 2 65 - 2 - Peak 3974 from cnoeabs.peaks (1.74, 1.74, 29.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 90 + HD2 LYS 90 OK 100 100 - 100 Peak 3975 from cnoeabs.peaks (1.70, 1.74, 29.44 ppm; 2.40 A): 1 out of 19 assignments used, quality = 1.00: * HD3 LYS 90 + HD2 LYS 90 OK 100 100 - 100 - 1.8=100 HG12 ILE 15 - HD2 LYS 90 OK 29 100 - 29 - 3985=4, 2.1/679=3...(9) HD3 LYS 12 - HD2 LYS 90 OK 17 99 - 17 - 3985=2, 3.0/3973=1...(6) HD2 LYS 12 - HD2 LYS 90 OK 17 99 - 17 - 3985=2, 3.0/3973=1...(6) HB3 LYS 53 - HD2 LYS 90 OK 15 90 - 17 - 1.8/3971=3, 2406/3.6=2...(8) HD2 LYS 24 - HD2 LYS 90 OK 13 100 - 13 - 3.0/3973=2 HD3 LYS 24 - HD2 LYS 90 OK 13 100 - 13 - 3.0/3973=2 HG2 PRO 86 - HD2 LYS 90 OK 12 99 - 12 - ~12334=3, 9887/5.2=1 HB3 ARG 91 - HD2 LYS 90 lone 8 81 - 9 - 3.9/7437=5 HD3 LYS 66 - HD2 LYS 90 lone 4 99 - 4 - HD2 LYS 13 - HD2 LYS 90 lone 3 99 - 3 - HD3 LYS 13 - HD2 LYS 90 lone 3 98 - 3 - HB2 LEU 2 - HD2 LYS 90 lone 2 99 - 2 - HG LEU 70 - HD2 LYS 90 lone 2 100 - 2 - HD3 LYS 47 - HD2 LYS 90 lone 2 77 - 2 - HD2 LYS 47 - HD2 LYS 90 lone 2 73 - 2 - HB3 LYS 40 - HD2 LYS 90 lone 1 84 - 1 - HB3 LEU 70 - HD2 LYS 90 lone 1 61 - 1 - HD2 LYS 20 - HD2 LYS 90 lone 0 61 - 1 - Peak 3976 from cnoeabs.peaks (2.81, 1.74, 29.44 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 90 + HD2 LYS 90 OK 100 100 - 100 - 3.0=100 HE2 LYS 53 - HD2 LYS 90 OK 19 61 - 31 - 3954/2.9=5, 3932/3.6=4...(13) Peak 3977 from cnoeabs.peaks (2.94, 1.74, 29.44 ppm; 3.70 A): 2 out of 7 assignments used, quality = 1.00: * HE3 LYS 90 + HD2 LYS 90 OK 100 100 - 100 - 3.0=100 HG2 MET 21 + HD2 LYS 90 OK 48 99 - 48 - 8546/5.2=8, 8556/3.6=7...(16) HE3 LYS 73 - HD2 LYS 90 OK 18 92 - 19 - 3955/2.9=2, 3988/1.8=2...(8) HE2 LYS 73 - HD2 LYS 90 OK 13 77 - 17 - 3955/2.9=2, ~3955=2...(9) HE2 LYS 94 - HD2 LYS 90 OK 10 73 - 14 - 3955/2.9=2, 3.0/3973=2...(5) HB2 ASN 10 - HD2 LYS 90 lone 8 96 - 9 - HB2 ASN 51 - HD2 LYS 90 lone 7 92 - 7 - Peak 3978 from cnoeabs.peaks (7.47, 1.74, 29.44 ppm; 4.84 A): 3 out of 5 assignments used, quality = 0.94: * H ARG 91 + HD2 LYS 90 OK 85 100 - 85 - 7437=28, 4.1/3930=21...(13) HE ARG 46 + HD2 LYS 90 OK 39 100 - 40 - 11042/3.6=9, 3945/3.6=7...(8) H LYS 47 + HD2 LYS 90 OK 36 100 - 36 - 6765/3.6=7, 3934/3.6=7...(7) HD22 ASN 26 - HD2 LYS 90 OK 15 100 - 15 - 3956/2.9=3, 3934/3.6=2...(7) HE ARG 19 - HD2 LYS 90 lone 6 65 - 9 - 3.6/3973=1 Peak 3979 from cnoeabs.peaks (8.05, 1.70, 29.44 ppm; 3.65 A): 3 out of 12 assignments used, quality = 0.93: * H LYS 90 + HD3 LYS 90 OK 85 100 - 85 - 6.1=21, 7419/2.9=18...(18) H LYS 90 + HG12 ILE 15 OK 32 98 - 33 - 7421/2.9=6, 7422=4...(14) H SER 102 + HD3 LYS 90 OK 27 84 - 32 - 3968/1.8=6, 3946/2.9=5...(8) H GLU 17 - HD3 LYS 90 OK 21 70 - 31 - 3968/1.8=5, 3946/2.9=4...(12) H GLU 17 - HG12 ILE 15 OK 15 65 - 23 - 6247/4.1=11, 4.6/668=4...(5) H LYS 90 - HD3 LYS 12 OK 11 61 - 18 - 7422=2, 7420/3.0=2...(7) H LYS 90 - HD2 LYS 12 OK 11 61 - 18 - 7422=2, 7420/3.0=2...(7) H SER 102 - HG12 ILE 15 lone 5 79 - 6 - 4.6/668=3 H GLU 17 - HD2 LYS 12 lone 2 35 - 5 - H GLU 17 - HD3 LYS 12 lone 2 35 - 5 - H SER 102 - HD2 LYS 12 lone 1 44 - 3 - H SER 102 - HD3 LYS 12 lone 1 44 - 3 - Peak 3980 from cnoeabs.peaks (3.67, 1.70, 29.44 ppm; 4.53 A): 3 out of 16 assignments used, quality = 1.00: * HA LYS 90 + HD3 LYS 90 OK 99 100 - 99 - 5.2=66, 3915/2.9=22...(33) HA GLU 88 + HD3 LYS 90 OK 63 92 - 69 - 3925/3.6=11, 3947/2.9=11...(21) HA LYS 90 + HG12 ILE 15 OK 56 98 - 57 - 3917/2.9=9, 3.0/3979=6...(18) HA LEU 14 - HG12 ILE 15 OK 34 79 - 43 - 3.6/6219=10, ~8437=7...(11) HB THR 80 - HD3 LYS 90 OK 29 92 - 32 - 3969/1.8=5, 3947/2.9=4...(10) HA LEU 14 - HD3 LYS 90 OK 24 84 - 29 - 3969/1.8=4, 3947/2.9=3...(11) HA LYS 90 - HD2 LYS 12 OK 22 61 - 37 - 3916/3.0=3, 3918=3...(21) HA LYS 90 - HD3 LYS 12 OK 22 61 - 37 - 3916/3.0=3, 3918=3...(21) HA LEU 14 - HD2 LYS 12 OK 14 44 - 31 - 3.0/6194=4, 3.6/6219=3...(10) HA LEU 14 - HD3 LYS 12 OK 14 44 - 31 - 3.0/6194=4, 3.6/6219=3...(10) HA GLU 88 - HG12 ILE 15 OK 11 88 - 13 - ~8437=2, ~8440=2, 7412/3979=1 HB THR 80 - HG12 ILE 15 OK 10 88 - 12 - 6210/4.6=5 HA GLU 88 - HD2 LYS 12 lone 5 51 - 10 - HA GLU 88 - HD3 LYS 12 lone 5 51 - 10 - HB THR 80 - HD3 LYS 12 lone 4 51 - 8 - 9718/3.6=1, 9718/3.6=1 HB THR 80 - HD2 LYS 12 lone 4 51 - 8 - 9718/3.6=1, 9718/3.6=1 Peak 3981 from cnoeabs.peaks (1.81, 1.70, 29.44 ppm; 3.18 A): 2 out of 32 assignments used, quality = 0.95: * HB2 LYS 90 + HD3 LYS 90 OK 92 100 - 92 - 3.6=68, 3930/1.8=19...(24) HB2 GLU 88 + HD3 LYS 90 OK 37 100 - 37 - 3970/1.8=5, 3948/2.9=4...(16) HB2 LEU 42 - HD3 LYS 90 OK 34 99 - 34 - 3970/1.8=5, 1913/2.9=4...(15) HB2 LYS 90 - HG12 ILE 15 OK 32 98 - 33 - 3930/2.9=5, 2.8/3983=3...(16) HB ILE 93 - HD3 LYS 90 OK 28 94 - 30 - 4129/5.2=5, 3970/1.8=4...(12) HB2 LYS 90 - HD3 LYS 12 OK 16 61 - 26 - 3931=2, 3931/1.8=2...(11) HB2 LYS 90 - HD2 LYS 12 OK 16 61 - 26 - 3931=2, 3931/1.8=2...(11) HG2 ARG 46 - HD3 LYS 90 OK 11 84 - 13 - 3.6/3989=2, 3970/1.8=2...(5) HB2 LYS 39 - HD2 LYS 12 OK 11 42 - 26 - 1683/3.6=2, 1683/3.6=2...(7) HB2 LYS 39 - HD3 LYS 12 OK 11 42 - 26 - 1683/3.6=2, 1683/3.6=2...(7) HB2 GLU 104 - HD3 LYS 90 OK 11 100 - 10 - 3970/1.8=2, 3948/2.9=1...(4) HB2 LEU 42 - HG12 ILE 15 OK 10 96 - 10 - 1916/2.1=1 HB ILE 93 - HG12 ILE 15 poor 9 90 - 10 - 4136/2.1=1 HG2 ARG 46 - HG12 ILE 15 lone 7 79 - 9 - 4.9/668=2, ~10120=1...(4) HB2 LYS 39 - HG12 ILE 15 lone 7 76 - 9 - 1680/4.6=1, 8956/3.2=1 HB3 LEU 57 - HD3 LYS 90 lone 7 87 - 8 - HB2 LYS 39 - HD3 LYS 90 lone 6 81 - 7 - HB3 LEU 57 - HG12 ILE 15 lone 5 82 - 6 - HB2 LEU 42 - HD3 LYS 12 lone 4 58 - 7 - HB2 LEU 42 - HD2 LYS 12 lone 4 58 - 7 - HB2 GLU 88 - HG12 ILE 15 lone 3 97 - 3 - HB2 GLU 104 - HD2 LYS 12 lone 2 60 - 4 - HB2 GLU 104 - HD3 LYS 12 lone 2 60 - 4 - HB ILE 93 - HD3 LYS 12 lone 2 52 - 4 - HB ILE 93 - HD2 LYS 12 lone 2 52 - 4 - HB2 GLU 88 - HD2 LYS 12 lone 2 60 - 3 - HB2 GLU 88 - HD3 LYS 12 lone 2 60 - 3 - HB2 GLU 104 - HG12 ILE 15 lone 1 97 - 1 - HG2 ARG 46 - HD3 LYS 12 lone 1 44 - 3 - HG2 ARG 46 - HD2 LYS 12 lone 1 44 - 3 - HB3 LEU 57 - HD3 LYS 12 lone 1 47 - 2 - HB3 LEU 57 - HD2 LYS 12 lone 1 47 - 2 - Peak 3982 from cnoeabs.peaks (1.83, 1.70, 29.44 ppm; 2.95 A): 4 out of 20 assignments used, quality = 0.94: * HB3 LYS 90 + HD3 LYS 90 OK 85 100 - 85 - 3.6=54, 3941/1.8=15...(23) HB2 LYS 53 + HD3 LYS 90 OK 31 97 - 32 - 3971/1.8=4, 2396=4...(11) HB3 LYS 90 + HG12 ILE 15 OK 28 98 - 29 - 3941/2.9=4, 3942=3...(16) HB2 LYS 68 + HD3 LYS 90 OK 25 99 - 26 - 3941/1.8=5, 3949/2.9=4...(8) HG2 ARG 46 - HD3 LYS 90 OK 17 94 - 18 - 3971/1.8=3, 3927/3.6=3...(8) HB3 LYS 90 - HD3 LYS 12 OK 14 61 - 23 - 3942=3, 1.8/3931=2...(7) HB3 LYS 90 - HD2 LYS 12 OK 14 61 - 23 - 3942=3, 1.8/3931=2...(7) HB3 LEU 57 - HD3 LYS 90 poor 10 92 - 10 - 3971/1.8=2, 3927/3.6=2...(5) HB2 LYS 68 - HD3 LYS 12 poor 8 59 - 14 - 3001/3.6=2, 3001/3.6=1, 3942=1 HB2 LYS 68 - HD2 LYS 12 poor 8 59 - 14 - 3001/3.6=2, 3001/3.6=1, 3942=1 HG2 ARG 46 - HG12 ILE 15 lone 8 90 - 8 - 4.9/668=1, 9023/3.2=1 HB2 LYS 68 - HG12 ILE 15 lone 5 97 - 5 - HB3 LEU 57 - HG12 ILE 15 lone 4 88 - 5 - HB2 LYS 53 - HG12 ILE 15 lone 4 93 - 4 - HB2 LYS 53 - HD3 LYS 12 lone 2 56 - 4 - HB2 LYS 53 - HD2 LYS 12 lone 2 56 - 4 - HG2 ARG 46 - HD3 LYS 12 lone 1 52 - 3 - HG2 ARG 46 - HD2 LYS 12 lone 1 52 - 3 - HB3 LEU 57 - HD2 LYS 12 lone 1 51 - 1 - HB3 LEU 57 - HD3 LYS 12 lone 1 51 - 1 - Peak 3983 from cnoeabs.peaks (1.29, 1.70, 29.44 ppm; 3.73 A): 2 out of 16 assignments used, quality = 1.00: * HG2 LYS 90 + HD3 LYS 90 OK 100 100 - 100 - 2.9=100 HG2 LYS 90 + HG12 ILE 15 OK 51 98 - 52 - 3952/2.9=7, 3953=6...(24) HG2 ARG 30 - HD3 LYS 90 OK 41 97 - 42 - 3972/1.8=7, 3961/2.9=5...(14) HB3 LEU 42 - HD3 LYS 90 OK 36 73 - 50 - 3972/1.8=6, 3928/3.6=5...(23) HG LEU 3 - HD3 LYS 90 OK 31 87 - 35 - 3972/1.8=5, 3961/2.9=4...(15) HG2 LYS 90 - HD2 LYS 12 OK 24 61 - 40 - 3953=4, 3953/1.8=3...(17) HG2 LYS 90 - HD3 LYS 12 OK 24 61 - 40 - 3953=4, 3953/1.8=3...(17) HG LEU 3 - HG12 ILE 15 poor 9 82 - 11 - ~8467=2, 8109/1.8=1...(4) HB3 LEU 42 - HG12 ILE 15 poor 9 69 - 13 - 1.8/3981=1, 4.0/8914=1, ~1916=1 HG2 ARG 30 - HG12 ILE 15 lone 6 93 - 7 - HB3 LEU 42 - HD2 LYS 12 lone 4 37 - 9 - HB3 LEU 42 - HD3 LYS 12 lone 4 37 - 9 - HG2 ARG 30 - HD2 LYS 12 lone 2 56 - 4 - HG2 ARG 30 - HD3 LYS 12 lone 2 56 - 4 - HG LEU 3 - HD2 LYS 12 lone 1 47 - 3 - HG LEU 3 - HD3 LYS 12 lone 1 47 - 3 - Peak 3984 from cnoeabs.peaks (1.58, 1.70, 29.44 ppm; 2.71 A): 3 out of 56 assignments used, quality = 0.97: * HG3 LYS 90 + HD3 LYS 90 OK 90 100 - 90 - 2.9=79, 4006/3.0=10...(19) HG3 LYS 12 + HD3 LYS 12 OK 45 51 - 90 - 3.0=76, 1.8/421=9...(27) HG3 LYS 12 + HD2 LYS 12 OK 45 51 - 90 - 3.0=76, 1.8/422=9...(27) HG3 LYS 90 - HG12 ILE 15 OK 29 98 - 30 - 3963/2.9=3, 2.9/3975=3...(14) HG2 LYS 24 - HD3 LYS 90 OK 22 100 - 23 - 3973/1.8=3, 3951/2.9=3...(8) HG3 LYS 12 - HG12 ILE 15 OK 18 88 - 21 - 3.7/386=2, ~8466=2...(8) HG2 LYS 24 - HD2 LYS 12 OK 17 60 - 29 - 1.8/1102=2, 464/3.0=2...(7) HG2 LYS 24 - HD3 LYS 12 OK 17 60 - 29 - 1.8/1102=2, 464/3.0=2...(7) HG3 LYS 12 - HD3 LYS 90 OK 16 92 - 17 - 3973/1.8=2, 4006/3.0=2...(6) HG3 LYS 90 - HD2 LYS 12 OK 13 61 - 21 - 1.8/3953=2, 2.9/3975=2...(9) HG3 LYS 90 - HD3 LYS 12 OK 13 61 - 21 - 1.8/3953=2, 2.9/3975=2...(9) HB3 LEU 29 - HG12 ILE 15 OK 11 82 - 13 - ~8469=2, ~8467=2...(6) HB2 ARG 30 - HD3 LYS 90 poor 9 61 - 15 - 2.9/3983=2, ~3972=2...(5) HD2 LYS 66 - HD3 LYS 12 poor 9 35 - 25 - 2937=2, 420/3.0=2...(11) HD2 LYS 66 - HD2 LYS 12 poor 9 35 - 25 - 2937=2, 420/3.0=2...(11) HD3 LYS 82 - HG12 ILE 15 poor 8 61 - 14 - ~8462=4, ~8463=3...(6) HD3 LYS 94 - HD3 LYS 90 lone 8 81 - 10 - 3973/1.8=1, 3951/2.9=1 HB3 LEU 29 - HD3 LYS 90 lone 7 87 - 8 - 3973/1.8=1 HB2 LEU 103 - HD3 LYS 90 lone 7 100 - 7 - HG2 ARG 19 - HG12 ILE 15 lone 6 98 - 7 - ~10120=1, ~8519=1 HG LEU 103 - HD3 LYS 90 lone 6 100 - 6 - HG3 LYS 73 - HD2 LYS 12 poor 5 42 - 13 - 420/3.0=1, 464/3.0=1 HG3 LYS 73 - HD3 LYS 12 poor 5 42 - 13 - 420/3.0=1, 464/3.0=1 HB3 LEU 29 - HD3 LYS 12 poor 5 47 - 12 - 420/3.0=2 HB3 LEU 29 - HD2 LYS 12 poor 5 47 - 12 - 420/3.0=2 HG3 LYS 73 - HD3 LYS 90 lone 5 81 - 6 - HG2 ARG 19 - HD3 LYS 90 lone 5 100 - 5 - HG LEU 27 - HD2 LYS 12 poor 5 42 - 11 - ~10392=1, 420/3.0=1 HG LEU 27 - HD3 LYS 12 poor 5 42 - 11 - ~10392=1, 420/3.0=1 HG2 LYS 24 - HG12 ILE 15 lone 5 98 - 5 - HD2 LYS 66 - HD3 LYS 90 lone 4 70 - 6 - HD2 LYS 66 - HG12 ILE 15 lone 4 65 - 6 - HG LEU 27 - HG12 ILE 15 lone 4 76 - 5 - HG LEU 27 - HD3 LYS 90 lone 2 81 - 3 - HG3 LYS 73 - HG12 ILE 15 lone 2 76 - 3 - HB2 LEU 103 - HG12 ILE 15 lone 2 98 - 2 - HD3 LYS 94 - HD2 LYS 12 lone 2 42 - 4 - HD3 LYS 94 - HD3 LYS 12 lone 2 42 - 4 - HG LEU 103 - HG12 ILE 15 lone 2 98 - 2 - HD3 LYS 94 - HG12 ILE 15 lone 2 76 - 2 - HB2 ARG 30 - HG12 ILE 15 lone 1 58 - 2 - HG2 ARG 19 - HD2 LYS 12 lone 1 61 - 2 - HG2 ARG 19 - HD3 LYS 12 lone 1 61 - 2 - HB2 ARG 79 - HD3 LYS 90 lone 1 73 - 1 - HB2 LEU 103 - HD3 LYS 12 lone 1 61 - 1 - HB2 LEU 103 - HD2 LYS 12 lone 1 61 - 1 - HD3 LYS 82 - HD3 LYS 90 lone 1 65 - 1 - HG LEU 103 - HD3 LYS 12 lone 1 60 - 1 - HG LEU 103 - HD2 LYS 12 lone 1 60 - 1 - HB2 ARG 30 - HD3 LYS 12 lone 0 30 - 2 - HB2 ARG 30 - HD2 LYS 12 lone 0 30 - 2 - HB2 ARG 79 - HD3 LYS 12 lone 0 37 - 1 - HB2 ARG 79 - HD2 LYS 12 lone 0 37 - 1 - HB2 ARG 79 - HG12 ILE 15 lone 0 69 - 0 - HD3 LYS 82 - HD3 LYS 12 lone 0 33 - 1 - HD3 LYS 82 - HD2 LYS 12 lone 0 33 - 1 - Peak 3985 from cnoeabs.peaks (1.74, 1.70, 29.44 ppm; 2.40 A): 2 out of 24 assignments used, quality = 1.00: * HD2 LYS 90 + HD3 LYS 90 OK 100 100 - 100 - 1.8=100 HB ILE 15 + HG12 ILE 15 OK 67 88 - 77 - 2.9=57, 679/2.1=8...(18) HD2 LYS 90 - HG12 ILE 15 OK 28 98 - 29 - 3975=6, 679/2.1=3...(9) HB ILE 15 - HD3 LYS 90 OK 28 92 - 31 - 3952/2.9=3, 4007/3.0=3...(14) HD2 LYS 90 - HD3 LYS 12 OK 12 61 - 19 - 3975=3, 3975/1.8=2...(6) HD2 LYS 90 - HD2 LYS 12 OK 12 61 - 19 - 3975=3, 3975/1.8=2...(6) HB ILE 15 - HD2 LYS 12 OK 10 51 - 20 - 392/5.2=3, 649=2...(6) HB ILE 15 - HD3 LYS 12 OK 10 51 - 20 - 392/5.2=3, 649=2...(6) HB2 GLU 28 - HD3 LYS 90 lone 10 100 - 9 - 3952/2.9=1, 3963/2.9=1...(5) HD2 ARG 81 - HG12 ILE 15 poor 8 76 - 11 - 671/1.8=2, 679/2.1=2, 655/3.2=1 HD3 LYS 33 - HG12 ILE 15 lone 6 73 - 8 - 679/2.1=1, 671/1.8=1 HD2 LYS 33 - HG12 ILE 15 lone 6 73 - 8 - 679/2.1=1, 671/1.8=1 HD3 LYS 33 - HD3 LYS 90 lone 5 77 - 6 - HD2 LYS 33 - HD3 LYS 90 lone 5 77 - 6 - HD2 ARG 81 - HD3 LYS 90 lone 3 81 - 4 - HB2 GLU 28 - HG12 ILE 15 lone 2 97 - 2 - HD2 LYS 33 - HD3 LYS 12 lone 1 40 - 3 - HD2 LYS 33 - HD2 LYS 12 lone 1 40 - 3 - HD3 LYS 33 - HD2 LYS 12 lone 1 40 - 3 - HD3 LYS 33 - HD3 LYS 12 lone 1 40 - 3 - HB2 GLU 28 - HD3 LYS 12 lone 0 60 - 1 - HB2 GLU 28 - HD2 LYS 12 lone 0 60 - 1 - HD2 ARG 81 - HD2 LYS 12 lone 0 42 - 1 - HD2 ARG 81 - HD3 LYS 12 lone 0 42 - 1 - Peak 3986 from cnoeabs.peaks (1.70, 1.70, 29.44 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 90 + HD3 LYS 90 OK 100 100 - 100 HG12 ILE 15 + HG12 ILE 15 OK 97 97 - 100 HD2 LYS 12 + HD2 LYS 12 OK 59 59 - 100 HD3 LYS 12 + HD3 LYS 12 OK 59 59 - 100 Peak 3987 from cnoeabs.peaks (2.81, 1.70, 29.44 ppm; 4.08 A): 2 out of 8 assignments used, quality = 1.00: * HE2 LYS 90 + HD3 LYS 90 OK 100 100 - 100 - 3.0=100 HE2 LYS 90 + HG12 ILE 15 OK 51 98 - 52 - 3996/2.9=8, 3997=6...(23) HE2 LYS 90 - HD2 LYS 12 OK 23 61 - 38 - 3997=4, 3997/1.8=4...(14) HE2 LYS 90 - HD3 LYS 12 OK 23 61 - 38 - 3997=4, 3997/1.8=4...(14) HE2 LYS 53 - HD3 LYS 90 OK 22 61 - 35 - 3976/1.8=6, 3954/2.9=6...(11) HE2 LYS 53 - HG12 ILE 15 lone 2 58 - 4 - HE2 LYS 53 - HD2 LYS 12 lone 1 30 - 4 - HE2 LYS 53 - HD3 LYS 12 lone 1 30 - 4 - Peak 3988 from cnoeabs.peaks (2.94, 1.70, 29.44 ppm; 3.09 A): 1 out of 28 assignments used, quality = 1.00: * HE3 LYS 90 + HD3 LYS 90 OK 100 100 - 100 - 3.0=100 HG2 MET 21 - HD3 LYS 90 OK 36 99 - 37 - 3977/1.8=6, 8546/5.2=5...(12) HE3 LYS 90 - HG12 ILE 15 OK 34 98 - 35 - 4008=6, 4007/2.9=5...(13) HB2 ASN 10 - HG12 ILE 15 OK 17 92 - 18 - ~8449=9, ~8356=3...(5) HE3 LYS 90 - HD3 LYS 12 OK 15 61 - 24 - 4008=4, 4008/1.8=3...(9) HE3 LYS 90 - HD2 LYS 12 OK 15 61 - 24 - 4008=4, 4008/1.8=3...(9) HE3 LYS 73 - HD3 LYS 90 OK 13 92 - 14 - 3977/1.8=2, 3955/2.9=2...(7) HE2 LYS 73 - HD3 LYS 90 poor 10 77 - 13 - 3977/1.8=2, ~3977=1...(5) HG2 MET 21 - HG12 ILE 15 lone 8 97 - 8 - 8558/1.8=1, 8558/2.1=1 HE2 LYS 94 - HD3 LYS 90 lone 7 73 - 10 - 3977/1.8=1, 3955/2.9=1 HB2 ASN 10 - HD3 LYS 90 lone 6 96 - 6 - 3977/1.8=1 HB2 ASN 51 - HD3 LYS 90 lone 5 92 - 5 - HE3 LYS 73 - HD2 LYS 12 lone 3 51 - 6 - HE3 LYS 73 - HD3 LYS 12 lone 3 51 - 6 - HG2 MET 21 - HD3 LYS 12 lone 2 59 - 4 - HG2 MET 21 - HD2 LYS 12 lone 2 59 - 4 - HE2 LYS 73 - HD2 LYS 12 lone 2 40 - 5 - HE2 LYS 73 - HD3 LYS 12 lone 2 40 - 5 - HE2 LYS 94 - HG12 ILE 15 lone 1 69 - 2 - HE3 LYS 73 - HG12 ILE 15 lone 1 88 - 1 - HB2 ASN 51 - HG12 ILE 15 lone 1 88 - 1 - HE2 LYS 73 - HG12 ILE 15 lone 1 73 - 1 - HB2 ASN 10 - HD3 LYS 12 lone 1 54 - 2 - HB2 ASN 10 - HD2 LYS 12 lone 1 54 - 2 - HE2 LYS 94 - HD3 LYS 12 lone 1 37 - 2 - HE2 LYS 94 - HD2 LYS 12 lone 1 37 - 2 - HB2 ASN 51 - HD3 LYS 12 lone 0 51 - 1 - HB2 ASN 51 - HD2 LYS 12 lone 0 51 - 1 - Peak 3989 from cnoeabs.peaks (7.47, 1.70, 29.44 ppm; 3.60 A): 4 out of 20 assignments used, quality = 0.84: * H ARG 91 + HD3 LYS 90 OK 64 100 - 64 - 7437/1.8=19, 7435/2.9=12...(9) HE ARG 46 + HD3 LYS 90 OK 24 100 - 24 - 3934/3.6=5, 3978/1.8=4...(8) H ARG 91 + HG12 ILE 15 OK 23 98 - 24 - 7437/2.9=6, 7438=3...(8) H LYS 47 + HD3 LYS 90 OK 23 100 - 23 - 6765/3.6=4, 3978/1.8=4...(9) HD22 ASN 26 - HD3 LYS 90 lone 9 100 - 8 - 3978/1.8=2, 3934/3.6=1...(4) H ARG 91 - HD2 LYS 12 poor 9 61 - 14 - 7438=2, 7436/3.0=2...(6) H ARG 91 - HD3 LYS 12 poor 9 61 - 14 - 7438=2, 7436/3.0=2...(6) H LYS 47 - HG12 ILE 15 lone 8 98 - 8 - 4.6/668=3 HE ARG 46 - HG12 ILE 15 lone 7 98 - 7 - ~10120=2, 6.8/668=1 HE ARG 19 - HG12 ILE 15 lone 5 61 - 8 - ~10120=3, 11048/3.2=2 H LYS 47 - HD2 LYS 12 lone 4 60 - 6 - H LYS 47 - HD3 LYS 12 lone 4 60 - 6 - HE ARG 19 - HD3 LYS 90 lone 3 65 - 5 - HD22 ASN 26 - HG12 ILE 15 lone 1 98 - 1 - HE ARG 46 - HD2 LYS 12 lone 1 61 - 2 - HE ARG 46 - HD3 LYS 12 lone 1 61 - 2 - HD22 ASN 26 - HD2 LYS 12 lone 1 60 - 1 - HD22 ASN 26 - HD3 LYS 12 lone 1 60 - 1 - HE ARG 19 - HD2 LYS 12 lone 0 33 - 1 - HE ARG 19 - HD3 LYS 12 lone 0 33 - 1 - Peak 3990 from cnoeabs.peaks (8.05, 2.81, 41.80 ppm; 5.24 A): 1 out of 3 assignments used, quality = 0.96: * H LYS 90 + HE2 LYS 90 OK 96 100 - 96 - 7.0=42, 7419/3.8=25...(17) H SER 102 - HE2 LYS 90 OK 40 84 - 48 - 4001/1.8=10, 3968/3.0=9...(9) H GLU 17 - HE2 LYS 90 OK 29 70 - 42 - 3968/3.0=7, 5.1/12236=7...(10) Peak 3991 from cnoeabs.peaks (3.67, 2.81, 41.80 ppm; 5.99 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 90 + HE2 LYS 90 OK 100 100 - 100 - 6.2=91, 3.0/7423=35...(32) HA GLU 88 + HE2 LYS 90 OK 66 92 - 71 - 3947/3.8=14, 3925/4.8=13...(16) HB THR 80 - HE2 LYS 90 OK 35 92 - 38 - 3969/3.0=7, 3947/3.8=5...(12) HA LEU 14 - HE2 LYS 90 OK 29 84 - 34 - 9886/12334=5, 3969/3.0=5...(12) Peak 3992 from cnoeabs.peaks (1.81, 2.81, 41.80 ppm; 3.84 A): 2 out of 8 assignments used, quality = 0.96: * HB2 LYS 90 + HE2 LYS 90 OK 93 100 - 93 - 4.8=50, 3930/3.0=19...(25) HB2 GLU 88 + HE2 LYS 90 OK 37 100 - 37 - 3970/3.0=6, 4003/1.8=6...(13) HB2 LEU 42 - HE2 LYS 90 OK 35 99 - 36 - 4003/1.8=5, 1.8/3994=5...(11) HB ILE 93 - HE2 LYS 90 OK 29 94 - 32 - 4129/6.2=5, 4003/1.8=5...(10) HB2 GLU 104 - HE2 LYS 90 OK 12 100 - 11 - 4003/1.8=2, 3948/3.8=2...(5) HG2 ARG 46 - HE2 LYS 90 poor 9 84 - 11 - 3970/3.0=2, 3948/3.8=2...(6) HB3 LEU 57 - HE2 LYS 90 lone 7 87 - 8 - 3948/3.8=1, 4003/1.8=1 HB2 LYS 39 - HE2 LYS 90 lone 6 81 - 7 - Peak 3993 from cnoeabs.peaks (1.83, 2.81, 41.80 ppm; 3.97 A): 2 out of 5 assignments used, quality = 0.97: * HB3 LYS 90 + HE2 LYS 90 OK 94 100 - 95 - 4.8=55, 3941/3.0=17...(24) HB2 LYS 68 + HE2 LYS 90 OK 38 99 - 38 - 4004/1.8=6, 3971/3.0=6...(10) HB2 LYS 53 - HE2 LYS 90 OK 36 97 - 37 - 4004/1.8=6, 3971/3.0=6...(13) HG2 ARG 46 - HE2 LYS 90 OK 19 94 - 21 - 3971/3.0=4, 4004/1.8=3...(8) HB3 LEU 57 - HE2 LYS 90 OK 13 92 - 14 - 4004/1.8=2, 3949/3.8=2...(6) Peak 3994 from cnoeabs.peaks (1.29, 2.81, 41.80 ppm; 4.25 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 90 + HE2 LYS 90 OK 100 100 - 100 - 3.8=100 HG2 ARG 30 - HE2 LYS 90 OK 34 97 - 35 - 3972/3.0=7, 4005/1.8=7...(11) HB3 LEU 42 - HE2 LYS 90 OK 33 73 - 44 - 1.8/3992=7, 4005/1.8=6...(14) HG LEU 3 - HE2 LYS 90 OK 30 87 - 34 - 2.1/8098=7, 4005/1.8=6...(11) Peak 3995 from cnoeabs.peaks (1.58, 2.81, 41.80 ppm; 3.66 A): 1 out of 14 assignments used, quality = 0.98: * HG3 LYS 90 + HE2 LYS 90 OK 98 100 - 98 - 3.8=91, 4006/1.8=22...(21) HG2 LYS 24 - HE2 LYS 90 OK 32 100 - 32 - 4006/1.8=6, 3973/3.0=4...(13) HG3 LYS 12 - HE2 LYS 90 OK 23 92 - 25 - 4006/1.8=4, 3973/3.0=3...(8) HB2 ARG 30 - HE2 LYS 90 OK 11 61 - 18 - 2.9/3994=4, ~4005=3...(8) HD3 LYS 94 - HE2 LYS 90 poor 10 81 - 12 - 4006/1.8=2, 3973/3.0=2...(4) HB2 LEU 103 - HE2 LYS 90 lone 9 100 - 9 - 4006/1.8=2, 3973/3.0=1 HB3 LEU 29 - HE2 LYS 90 lone 8 87 - 10 - 3973/3.0=2, 4006/1.8=1...(4) HG LEU 103 - HE2 LYS 90 lone 8 100 - 8 - 4006/1.8=1, 3973/3.0=1 HG3 LYS 73 - HE2 LYS 90 lone 7 81 - 9 - 4006/1.8=1, 4.0/3999=1 HG2 ARG 19 - HE2 LYS 90 lone 6 100 - 6 - 4006/1.8=1 HD2 LYS 66 - HE2 LYS 90 lone 5 70 - 7 - HG LEU 27 - HE2 LYS 90 lone 3 81 - 4 - HB2 ARG 79 - HE2 LYS 90 lone 1 73 - 2 - HD3 LYS 82 - HE2 LYS 90 lone 1 65 - 2 - Peak 3996 from cnoeabs.peaks (1.74, 2.81, 41.80 ppm; 3.48 A): 1 out of 6 assignments used, quality = 1.00: * HD2 LYS 90 + HE2 LYS 90 OK 100 100 - 100 - 3.0=100 HB ILE 15 - HE2 LYS 90 OK 41 92 - 45 - 4007/1.8=8, 2.9/3987=5...(20) HB2 GLU 28 - HE2 LYS 90 OK 16 100 - 16 - 4007/1.8=3, 3952/3.8=2...(8) HD3 LYS 33 - HE2 LYS 90 lone 7 77 - 9 - 4007/1.8=2, 3952/3.8=1 HD2 LYS 33 - HE2 LYS 90 lone 7 77 - 9 - 4007/1.8=2, 3952/3.8=1 HD2 ARG 81 - HE2 LYS 90 lone 5 81 - 6 - 4007/1.8=1 Peak 3997 from cnoeabs.peaks (1.70, 2.81, 41.80 ppm; 3.51 A): 1 out of 19 assignments used, quality = 1.00: * HD3 LYS 90 + HE2 LYS 90 OK 100 100 - 100 - 3.0=100 HG12 ILE 15 - HE2 LYS 90 OK 43 100 - 43 - 3987=7, 2.9/3996=6...(18) HD3 LYS 12 - HE2 LYS 90 OK 29 99 - 30 - 3987=3, 4008/1.8=3...(12) HD2 LYS 12 - HE2 LYS 90 OK 29 99 - 30 - 3987=3, 4008/1.8=3...(12) HB3 LYS 53 - HE2 LYS 90 OK 26 90 - 29 - 1.8/3993=5, ~4004=3...(10) HG2 PRO 86 - HE2 LYS 90 OK 24 99 - 24 - 2.3/12334=10, 4008/1.8=3...(9) HD3 LYS 24 - HE2 LYS 90 OK 24 100 - 24 - 3.0/3995=4, 4008/1.8=3...(11) HD2 LYS 24 - HE2 LYS 90 OK 24 100 - 24 - 3.0/3995=4, 4008/1.8=3...(11) HB3 ARG 91 - HE2 LYS 90 OK 10 81 - 13 - 10313/9907=2, 4034/6.2=1...(6) HD3 LYS 66 - HE2 LYS 90 lone 7 99 - 7 - HD2 LYS 13 - HE2 LYS 90 lone 5 99 - 5 - HD3 LYS 13 - HE2 LYS 90 lone 5 98 - 5 - HB2 LEU 2 - HE2 LYS 90 lone 4 99 - 4 - HG LEU 70 - HE2 LYS 90 lone 4 100 - 4 - HD3 LYS 47 - HE2 LYS 90 lone 3 77 - 4 - HD2 LYS 47 - HE2 LYS 90 lone 3 73 - 3 - HB3 LEU 70 - HE2 LYS 90 lone 2 61 - 3 - HB3 LYS 40 - HE2 LYS 90 lone 2 84 - 2 - HD2 LYS 20 - HE2 LYS 90 lone 1 61 - 2 - Peak 3998 from cnoeabs.peaks (2.81, 2.81, 41.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 90 + HE2 LYS 90 OK 100 100 - 100 Peak 3999 from cnoeabs.peaks (2.94, 2.81, 41.80 ppm; 2.55 A): 1 out of 7 assignments used, quality = 1.00: * HE3 LYS 90 + HE2 LYS 90 OK 100 100 - 100 - 1.8=100 HG2 MET 21 - HE2 LYS 90 OK 21 99 - 21 - 3977/3.0=3, 8556/4.8=2...(10) HE3 LYS 73 - HE2 LYS 90 lone 6 92 - 6 - 3977/3.0=1 HE2 LYS 73 - HE2 LYS 90 lone 4 77 - 5 - HE2 LYS 94 - HE2 LYS 90 lone 4 73 - 5 - HB2 ASN 10 - HE2 LYS 90 lone 3 96 - 3 - HB2 ASN 51 - HE2 LYS 90 lone 3 92 - 3 - Peak 4001 from cnoeabs.peaks (8.05, 2.94, 41.80 ppm; 5.08 A): 1 out of 3 assignments used, quality = 0.95: * H LYS 90 + HE3 LYS 90 OK 95 100 - 95 - 7.0=39, 7423/1.8=32...(17) H SER 102 - HE3 LYS 90 OK 38 84 - 46 - 3990/1.8=9, 3968/3.0=9...(9) H GLU 17 - HE3 LYS 90 OK 26 70 - 37 - 3968/3.0=7, 3990/1.8=7...(8) Peak 4003 from cnoeabs.peaks (1.81, 2.94, 41.80 ppm; 4.00 A): 1 out of 8 assignments used, quality = 0.96: * HB2 LYS 90 + HE3 LYS 90 OK 96 100 - 96 - 4.8=57, 3930/3.0=20...(25) HB2 GLU 88 - HE3 LYS 90 OK 39 100 - 39 - 3992/1.8=6, 3970/3.0=6...(13) HB2 LEU 42 - HE3 LYS 90 OK 38 99 - 39 - 3992/1.8=6, 1.8/4005=6...(12) HB ILE 93 - HE3 LYS 90 OK 36 94 - 38 - 4129/6.2=6, 10011=5...(11) HB2 GLU 104 - HE3 LYS 90 OK 12 100 - 12 - 3992/1.8=2, 3948/3.8=2...(6) HG2 ARG 46 - HE3 LYS 90 poor 10 84 - 11 - 3970/3.0=2, 3948/3.8=2...(6) HB3 LEU 57 - HE3 LYS 90 lone 7 87 - 8 - 3992/1.8=1, 3948/3.8=1 HB2 LYS 39 - HE3 LYS 90 lone 7 81 - 8 - 3992/1.8=1 Peak 4004 from cnoeabs.peaks (1.83, 2.94, 41.80 ppm; 4.33 A): 1 out of 5 assignments used, quality = 0.98: * HB3 LYS 90 + HE3 LYS 90 OK 98 100 - 98 - 4.8=72, 2.8/4005=22...(24) HB2 LYS 68 - HE3 LYS 90 OK 41 99 - 42 - 3993/1.8=8, 3971/3.0=7...(9) HB2 LYS 53 - HE3 LYS 90 OK 41 97 - 42 - 3993/1.8=8, 3971/3.0=7...(14) HG2 ARG 46 - HE3 LYS 90 OK 22 94 - 24 - 3971/3.0=4, 3993/1.8=4...(8) HB3 LEU 57 - HE3 LYS 90 OK 15 92 - 16 - 3993/1.8=3, 3949/3.8=3...(7) Peak 4005 from cnoeabs.peaks (1.29, 2.94, 41.80 ppm; 3.61 A): 1 out of 4 assignments used, quality = 0.97: * HG2 LYS 90 + HE3 LYS 90 OK 97 100 - 97 - 3.8=87, 1.8/4006=22...(22) HG2 ARG 30 - HE3 LYS 90 OK 25 97 - 26 - 3972/3.0=5, 3994/1.8=5...(8) HB3 LEU 42 - HE3 LYS 90 OK 24 73 - 32 - 1.8/4003=5, 3972/3.0=5...(12) HG LEU 3 - HE3 LYS 90 OK 21 87 - 24 - 3994/1.8=4, 3972/3.0=4...(9) Peak 4006 from cnoeabs.peaks (1.58, 2.94, 41.80 ppm; 3.02 A): 3 out of 14 assignments used, quality = 0.87: * HG3 LYS 90 + HE3 LYS 90 OK 81 100 - 81 - 3.8=51, 1.8/4005=15...(18) HG2 LYS 24 + HE3 LYS 90 OK 21 100 - 21 - 3995/1.8=4, 3973/3.0=3...(9) HG3 LYS 12 + HE3 LYS 90 OK 16 92 - 17 - 3995/1.8=3, 3973/3.0=2...(6) HB2 ARG 30 - HE3 LYS 90 poor 8 61 - 12 - 2.9/4005=3, ~3994=2...(6) HD3 LYS 94 - HE3 LYS 90 lone 6 81 - 8 - 3995/1.8=1, 3973/3.0=1 HB2 LEU 103 - HE3 LYS 90 lone 6 100 - 6 - 3995/1.8=1 HB3 LEU 29 - HE3 LYS 90 lone 5 87 - 6 - 3973/3.0=1 HG LEU 103 - HE3 LYS 90 lone 5 100 - 5 - HG3 LYS 73 - HE3 LYS 90 lone 4 81 - 5 - HG2 ARG 19 - HE3 LYS 90 lone 4 100 - 4 - HD2 LYS 66 - HE3 LYS 90 lone 3 70 - 4 - HG LEU 27 - HE3 LYS 90 lone 2 81 - 3 - HB2 ARG 79 - HE3 LYS 90 lone 1 73 - 1 - HD3 LYS 82 - HE3 LYS 90 lone 1 65 - 1 - Peak 4007 from cnoeabs.peaks (1.74, 2.94, 41.80 ppm; 3.37 A): 1 out of 6 assignments used, quality = 1.00: * HD2 LYS 90 + HE3 LYS 90 OK 100 100 - 100 - 3.0=100 HB ILE 15 - HE3 LYS 90 OK 39 92 - 43 - 3996/1.8=8, 3952/3.8=5...(19) HB2 GLU 28 - HE3 LYS 90 OK 15 100 - 15 - 3996/1.8=3, 3952/3.8=2...(7) HD3 LYS 33 - HE3 LYS 90 lone 7 77 - 9 - 3996/1.8=1, 3952/3.8=1 HD2 LYS 33 - HE3 LYS 90 lone 7 77 - 9 - 3996/1.8=1, 3952/3.8=1 HD2 ARG 81 - HE3 LYS 90 lone 5 81 - 6 - 3996/1.8=1 Peak 4008 from cnoeabs.peaks (1.70, 2.94, 41.80 ppm; 2.96 A): 1 out of 19 assignments used, quality = 1.00: * HD3 LYS 90 + HE3 LYS 90 OK 100 100 - 100 - 3.0=100 HG12 ILE 15 - HE3 LYS 90 OK 32 100 - 32 - 3988=5, 2.9/4007=5...(11) HD3 LYS 12 - HE3 LYS 90 OK 20 99 - 21 - 3988=2, 3.0/4006=2...(9) HD2 LYS 12 - HE3 LYS 90 OK 20 99 - 21 - 3988=2, 3.0/4006=2...(9) HB3 LYS 53 - HE3 LYS 90 OK 19 90 - 21 - 1.8/4004=3, ~3993=3...(10) HD3 LYS 24 - HE3 LYS 90 OK 17 100 - 18 - 3.0/4006=3, 3997/1.8=2...(7) HD2 LYS 24 - HE3 LYS 90 OK 17 100 - 18 - 3.0/4006=3, 3997/1.8=2...(7) HG2 PRO 86 - HE3 LYS 90 OK 16 99 - 16 - ~12334=6, 3997/1.8=2...(4) HB3 ARG 91 - HE3 LYS 90 lone 6 81 - 8 - HD3 LYS 66 - HE3 LYS 90 lone 5 99 - 5 - HD2 LYS 13 - HE3 LYS 90 lone 3 99 - 3 - HD3 LYS 13 - HE3 LYS 90 lone 3 98 - 3 - HB2 LEU 2 - HE3 LYS 90 lone 3 99 - 3 - HG LEU 70 - HE3 LYS 90 lone 3 100 - 3 - HD3 LYS 47 - HE3 LYS 90 lone 2 77 - 2 - HD2 LYS 47 - HE3 LYS 90 lone 2 73 - 2 - HB3 LEU 70 - HE3 LYS 90 lone 1 61 - 2 - HB3 LYS 40 - HE3 LYS 90 lone 1 84 - 1 - HD2 LYS 20 - HE3 LYS 90 lone 1 61 - 1 - Peak 4009 from cnoeabs.peaks (2.81, 2.94, 41.80 ppm; 2.46 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 90 + HE3 LYS 90 OK 100 100 - 100 - 1.8=100 HE2 LYS 53 - HE3 LYS 90 lone 6 61 - 10 - 3976/3.0=2, 3954/3.8=1...(4) Peak 4010 from cnoeabs.peaks (2.94, 2.94, 41.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 90 + HE3 LYS 90 OK 100 100 - 100 Peak 4012 from cnoeabs.peaks (7.47, 3.89, 59.16 ppm; 3.42 A): 2 out of 15 assignments used, quality = 1.00: * H ARG 91 + HA ARG 91 OK 100 100 - 100 - 3.0=100 H LYS 47 + HA ARG 91 OK 48 100 - 48 - 4025/3.0=7, 6757=5...(17) HE ARG 46 - HA ARG 91 OK 32 100 - 32 - 7455/3.6=4, 4025/3.0=3...(16) H LYS 47 - HA GLU 43 OK 27 91 - 30 - 6778/3.6=7, 6757=4...(10) H ARG 91 - HA GLU 35 OK 24 99 - 25 - 7441=4, 3.9/4026=3...(11) H ARG 91 - HA GLU 43 OK 24 91 - 26 - 7441=5, 12311/3.0=3...(5) HE ARG 46 - HA GLU 43 OK 20 91 - 22 - 12311/3.0=4, 12312/3.0=3...(9) H LYS 47 - HA GLU 35 OK 12 99 - 12 - 6757=2 HD22 ASN 26 - HA ARG 91 OK 10 100 - 10 - 3.5/10481=2, 4025/3.0=1...(4) HE ARG 46 - HA GLU 35 lone 8 99 - 8 - HE ARG 19 - HA ARG 91 lone 3 65 - 4 - HD22 ASN 26 - HA GLU 43 lone 2 91 - 2 - HE ARG 19 - HA GLU 43 lone 2 54 - 3 - HD22 ASN 26 - HA GLU 35 lone 2 99 - 2 - HE ARG 19 - HA GLU 35 lone 1 64 - 1 - Peak 4013 from cnoeabs.peaks (3.89, 3.89, 59.16 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA ARG 91 + HA ARG 91 OK 100 100 - 100 HA GLU 35 + HA GLU 35 OK 99 99 - 100 HA GLU 43 + HA GLU 43 OK 89 89 - 100 Peak 4014 from cnoeabs.peaks (1.49, 3.89, 59.16 ppm; 3.09 A): 1 out of 33 assignments used, quality = 1.00: * HB2 ARG 91 + HA ARG 91 OK 100 100 - 100 - 3.0=100 HG2 LYS 47 - HA ARG 91 OK 40 99 - 41 - 7442/3.0=5, 3.0/4184=4...(20) HB2 ARG 91 - HA GLU 35 OK 25 99 - 25 - 4026=4, 2.8/4045=3...(10) HG2 LYS 66 - HA ARG 91 OK 19 99 - 20 - 7442/3.0=2, 4046/4.0=2...(7) HG3 LYS 66 - HA ARG 91 OK 19 97 - 19 - 7442/3.0=2, 4046/4.0=2...(7) HB2 ARG 91 - HA GLU 43 OK 17 91 - 18 - 4026=3, 2.8/4045=2...(7) HG2 LYS 66 - HA GLU 35 OK 16 98 - 17 - 12156/3.0=2, 12157/3.0=1...(9) HG3 LYS 66 - HA GLU 35 OK 16 96 - 17 - 12156/3.0=2, 12157/3.0=1...(9) HG3 LYS 53 - HA ARG 91 OK 11 65 - 17 - 7442/3.0=1, 1.8/4017=1 HG LEU 57 - HA ARG 91 poor 10 77 - 13 - 2.1/10698=4, 2.1/10697=2...(4) HG2 LYS 47 - HA GLU 43 poor 9 89 - 11 - 2167/3.6=2, 4.9/6757=2...(4) HG LEU 64 - HA ARG 91 lone 9 98 - 9 - 7442/3.0=1 HB3 LEU 64 - HA ARG 91 lone 9 99 - 9 - HG2 LYS 73 - HA ARG 91 lone 8 98 - 8 - HG LEU 57 - HA GLU 35 poor 8 75 - 10 - 2.1/10698=3, ~8775=1...(4) HG2 LYS 47 - HA GLU 35 lone 7 98 - 7 - HG3 LYS 13 - HA ARG 91 lone 5 90 - 6 - HG2 LYS 66 - HA GLU 43 lone 4 89 - 4 - HG3 LYS 66 - HA GLU 43 lone 4 86 - 4 - HG2 LYS 73 - HA GLU 35 lone 2 97 - 3 - HG LEU 64 - HA GLU 35 lone 2 97 - 2 - HG3 LYS 13 - HA GLU 43 lone 2 77 - 3 - HG LEU 57 - HA GLU 43 lone 2 65 - 3 - 2.1/10698=1 HB3 LEU 64 - HA GLU 35 lone 2 98 - 2 - HB3 LEU 64 - HA GLU 43 lone 2 90 - 2 - HG2 LYS 73 - HA GLU 43 lone 2 87 - 2 - HG3 LYS 13 - HA GLU 35 lone 2 88 - 2 - HG LEU 64 - HA GLU 43 lone 1 87 - 1 - HG3 LYS 33 - HA ARG 91 lone 1 65 - 2 - HG3 LYS 53 - HA GLU 35 lone 1 64 - 2 - HG3 LYS 53 - HA GLU 43 lone 1 54 - 1 - HG3 LYS 33 - HA GLU 43 lone 1 54 - 1 - HG3 LYS 33 - HA GLU 35 lone 1 64 - 1 - Peak 4015 from cnoeabs.peaks (1.68, 3.89, 59.16 ppm; 2.94 A): 1 out of 66 assignments used, quality = 0.97: * HB3 ARG 91 + HA ARG 91 OK 97 100 - 97 - 3.0=94, 2.8/4045=7...(17) HD3 LYS 47 - HA ARG 91 OK 36 100 - 36 - 4036=3, 4028/3.0=3...(17) HD2 LYS 47 - HA ARG 91 OK 36 100 - 36 - 4036=3, 4028/3.0=3...(17) HB3 ARG 91 - HA GLU 35 OK 23 99 - 23 - 1.8/4026=3, 2.8/4045=2...(9) HD3 LYS 90 - HA ARG 91 OK 22 81 - 28 - ~7437=6, 3989/3.0=4...(9) HG3 LYS 20 - HA ARG 91 OK 17 96 - 18 - 4028/3.0=2, 1.8/4017=1...(4) HB3 LYS 40 - HA GLU 43 OK 16 91 - 18 - ~1779=3, 10610/2.9=2...(8) HD2 LYS 20 - HA ARG 91 OK 16 99 - 16 - 4028/3.0=1, 4036=1, 4039/4.0=1 HB3 ARG 91 - HA GLU 43 OK 15 91 - 17 - 1.8/4026=2, 2.8/4045=2...(5) HD3 LYS 20 - HA ARG 91 OK 15 96 - 16 - 4028/3.0=1, 1.8/4036=1, 4036=1 HB3 LYS 53 - HA ARG 91 OK 13 100 - 13 - 7443/3.0=1, 4028/3.0=1, ~7434=1 HG2 PRO 86 - HA ARG 91 OK 11 92 - 12 - 7458/3.6=2, ~10990=2 HG LEU 70 - HA GLU 35 OK 10 72 - 14 - ~10278=2, 2.1/10167=2...(6) HD2 LYS 47 - HA GLU 43 lone 9 91 - 10 - 8972/3.6=1 HD3 LYS 47 - HA GLU 43 lone 9 91 - 10 - 8972/3.6=1 HD3 LYS 47 - HA GLU 35 lone 7 99 - 7 - HD2 LYS 47 - HA GLU 35 lone 7 99 - 7 - HD3 LYS 66 - HA ARG 91 poor 7 61 - 12 - 2.9/4014=1, 2.9/4014=1 HB3 LYS 40 - HA ARG 91 lone 6 100 - 6 - HB ILE 52 - HA ARG 91 lone 6 87 - 7 - HD3 LYS 66 - HA GLU 35 lone 6 60 - 10 - 1.8/9509=1 HG12 ILE 15 - HA ARG 91 lone 6 90 - 6 - 3989/3.0=1, ~7437=1 HB3 LYS 40 - HA GLU 35 lone 5 99 - 5 - HD2 LYS 20 - HA GLU 43 lone 5 89 - 6 - HD3 LYS 20 - HA GLU 43 lone 5 84 - 6 - HG3 LYS 20 - HA GLU 43 lone 5 84 - 6 - HD2 LYS 20 - HA GLU 35 lone 5 98 - 5 - HD3 LYS 20 - HA GLU 35 lone 5 94 - 5 - HB2 LEU 2 - HA GLU 35 lone 4 60 - 8 - 3.1/10124=2, 3.1/10125=1 HD2 LYS 73 - HA ARG 91 lone 4 77 - 6 - HG LEU 70 - HA GLU 43 lone 4 61 - 7 - ~10608=1, 10610/2.9=1 HG2 PRO 86 - HA GLU 35 lone 4 90 - 5 - HG3 LYS 20 - HA GLU 35 lone 4 94 - 4 - HD3 LYS 90 - HA GLU 35 lone 4 79 - 5 - HD2 LYS 24 - HA ARG 91 lone 4 84 - 5 - HD3 LYS 73 - HA ARG 91 lone 4 70 - 5 - HB ILE 52 - HA GLU 43 lone 4 74 - 5 - ~6690=1 HD3 LYS 24 - HA ARG 91 lone 4 81 - 5 - HD2 LYS 12 - HA ARG 91 lone 3 65 - 5 - HD3 LYS 12 - HA ARG 91 lone 3 65 - 5 - HB2 LEU 2 - HA GLU 43 lone 3 51 - 6 - 3.1/10124=2, ~10608=1 HD3 LYS 90 - HA GLU 43 lone 2 68 - 4 - HG12 ILE 15 - HA GLU 43 lone 2 77 - 3 - HD2 LYS 13 - HA ARG 91 lone 2 65 - 4 - HG2 PRO 86 - HA GLU 43 lone 2 80 - 3 - HB2 LEU 2 - HA ARG 91 lone 2 61 - 4 - HB ILE 52 - HA GLU 35 lone 2 85 - 3 - HG LEU 70 - HA ARG 91 lone 2 73 - 3 - HB3 LYS 53 - HA GLU 35 lone 2 99 - 2 - HD2 LYS 73 - HA GLU 35 lone 2 75 - 2 - HG12 ILE 15 - HA GLU 35 lone 2 88 - 2 - HB3 LYS 53 - HA GLU 43 lone 2 90 - 2 - HD3 LYS 73 - HA GLU 35 lone 1 68 - 2 - HD3 LYS 66 - HA GLU 43 lone 1 51 - 3 - HD2 LYS 24 - HA GLU 35 lone 1 82 - 1 - HD2 LYS 13 - HA GLU 43 lone 1 54 - 2 - HD3 LYS 24 - HA GLU 35 lone 1 79 - 1 - HD2 LYS 73 - HA GLU 43 lone 1 65 - 1 - HD2 LYS 24 - HA GLU 43 lone 1 71 - 1 - HD3 LYS 73 - HA GLU 43 lone 1 58 - 1 - HD3 LYS 24 - HA GLU 43 lone 1 68 - 1 - HD2 LYS 13 - HA GLU 35 lone 1 64 - 1 - HD3 LYS 12 - HA GLU 43 lone 1 54 - 1 - HD2 LYS 12 - HA GLU 43 lone 1 54 - 1 - HD2 LYS 12 - HA GLU 35 lone 0 64 - 1 - HD3 LYS 12 - HA GLU 35 lone 0 64 - 1 - Peak 4016 from cnoeabs.peaks (1.08, 3.89, 59.16 ppm; 3.84 A): 1 out of 9 assignments used, quality = 0.97: * HG2 ARG 91 + HA ARG 91 OK 97 100 - 97 - 4.0=89, 7444/3.0=15...(23) HG12 ILE 76 - HA ARG 91 OK 45 90 - 50 - 4029/3.0=9, 7444/3.0=7...(15) HG2 ARG 91 - HA GLU 35 OK 30 99 - 31 - 4045=6, 2.8/4026=4...(11) HG2 LYS 82 - HA ARG 91 OK 19 77 - 25 - 4029/3.0=4, 7444/3.0=3...(9) HG2 ARG 91 - HA GLU 43 OK 19 91 - 21 - 4045=4, 2.8/4026=3...(8) HG12 ILE 76 - HA GLU 43 OK 12 77 - 16 - ~10608=3, 9664/3.0=2...(6) HG12 ILE 76 - HA GLU 35 poor 9 88 - 10 - HG2 LYS 82 - HA GLU 35 lone 2 75 - 2 - HG2 LYS 82 - HA GLU 43 lone 1 65 - 2 - Peak 4017 from cnoeabs.peaks (1.45, 3.89, 59.16 ppm; 2.97 A): 5 out of 51 assignments used, quality = 0.93: * HG3 ARG 91 + HA ARG 91 OK 72 100 - 72 - 4.0=41, 4055/3.0=10...(19) HB2 LEU 38 + HA GLU 43 OK 34 90 - 38 - 1629/3.0=4, 3.8/12057=4...(20) HB2 LEU 38 + HA GLU 35 OK 31 99 - 32 - 3.8/12057=6, 1629/3.0=3...(11) HG LEU 38 + HA GLU 43 OK 26 86 - 30 - 2.1/10168=3, 2.1/10167=3...(17) HG LEU 38 + HA GLU 35 OK 25 96 - 26 - 5.3/12057=4, 2.1/10167=3...(11) HB2 LEU 38 - HA ARG 91 OK 25 100 - 25 - 3.8/12057=3, 4030/3.0=2...(10) HG LEU 38 - HA ARG 91 OK 22 97 - 22 - 4030/3.0=2, 2.1/10168=2...(10) HG3 ARG 91 - HA GLU 35 OK 19 99 - 19 - 1.8/4045=3, 2.8/4026=3...(8) HG13 ILE 76 - HA ARG 91 OK 18 73 - 25 - 1.8/4016=4, ~4029=3...(13) HG2 LYS 20 - HA ARG 91 OK 17 99 - 17 - 4030/3.0=2, 4049/4.0=1...(4) HD2 LYS 53 - HA ARG 91 OK 14 97 - 15 - 2440/3.0=2, 7445/3.0=2 HG2 LYS 53 - HA ARG 91 OK 14 90 - 16 - 4030/3.0=2, 7445/3.0=1 HG3 LYS 39 - HA GLU 35 OK 14 88 - 16 - 10565/4.9=5, 12073/3.0=3...(6) HG3 ARG 91 - HA GLU 43 OK 12 91 - 13 - 1.8/4045=2, 2.8/4026=2...(5) HD2 LYS 82 - HA ARG 91 OK 11 97 - 11 - 4030/3.0=2, 2.9/4016=1...(5) HG3 LYS 53 - HA ARG 91 poor 10 73 - 14 - 4030/3.0=1 HG13 ILE 52 - HA ARG 91 lone 9 99 - 9 - 4030/3.0=1 HG3 LYS 39 - HA GLU 43 poor 8 77 - 10 - 10574/3.7=2, ~6687=1...(4) HD2 LYS 40 - HA ARG 91 lone 6 87 - 6 - HD3 LYS 40 - HA ARG 91 lone 5 84 - 6 - HG13 ILE 52 - HA GLU 43 lone 5 89 - 6 - ~6690=2 HG2 LYS 20 - HA GLU 43 lone 5 89 - 5 - HG13 ILE 76 - HA GLU 43 lone 5 61 - 8 - ~10608=1, 2.1/10609=1...(4) HG2 LYS 12 - HA ARG 91 lone 4 97 - 5 - HG2 LYS 20 - HA GLU 35 lone 4 98 - 4 - HB2 LEU 27 - HA ARG 91 lone 4 99 - 4 - HD2 LYS 40 - HA GLU 35 lone 4 85 - 4 - HD3 LYS 40 - HA GLU 35 lone 4 82 - 4 - HG13 ILE 76 - HA GLU 35 lone 4 72 - 5 - HG3 LYS 39 - HA ARG 91 lone 3 90 - 4 - HG13 ILE 52 - HA GLU 35 lone 3 98 - 3 - HD2 LYS 40 - HA GLU 43 lone 3 74 - 4 - HD3 LYS 40 - HA GLU 43 lone 3 71 - 4 - HD2 LYS 53 - HA GLU 35 lone 2 96 - 2 - HG2 LYS 53 - HA GLU 35 lone 2 88 - 2 - QB ALA 22 - HA ARG 91 lone 2 70 - 3 - HD2 LYS 82 - HA GLU 35 lone 2 96 - 2 - HD2 LYS 53 - HA GLU 43 lone 2 86 - 2 - HG2 LYS 53 - HA GLU 43 lone 1 77 - 2 - HB2 LEU 27 - HA GLU 35 lone 1 98 - 1 - HG2 LYS 12 - HA GLU 35 lone 1 96 - 1 - HG3 LYS 53 - HA GLU 35 lone 1 72 - 2 - HB2 LEU 27 - HA GLU 43 lone 1 89 - 1 - HD2 LYS 82 - HA GLU 43 lone 1 86 - 1 - HG2 LYS 12 - HA GLU 43 lone 1 86 - 1 - HG3 LYS 53 - HA GLU 43 lone 1 61 - 2 - HG LEU 29 - HA ARG 91 lone 1 70 - 1 - QB ALA 22 - HA GLU 35 lone 1 68 - 1 - QB ALA 22 - HA GLU 43 lone 1 58 - 1 - HG LEU 29 - HA GLU 35 lone 1 68 - 1 - HG LEU 29 - HA GLU 43 lone 0 58 - 1 - Peak 4018 from cnoeabs.peaks (2.49, 3.89, 59.16 ppm; 5.04 A): 3 out of 21 assignments used, quality = 1.00: * HD2 ARG 91 + HA ARG 91 OK 100 100 - 100 - 4.8=100 HB2 ASP 87 + HA ARG 91 OK 66 90 - 74 - ~9963=19, ~9896=14...(19) HB3 ASP 87 + HA ARG 91 OK 66 90 - 74 - ~9963=19, ~9896=14...(19) HG3 GLU 23 - HA ARG 91 OK 43 99 - 44 - 10459/4.0=7, 4031/3.0=6...(15) HD2 ARG 91 - HA GLU 35 OK 43 99 - 43 - 4063=7, 1.8/4019=7...(15) HB2 ASP 36 - HA GLU 35 OK 31 60 - 52 - 6563/3.6=12, 4.0/8821=11...(12) HB3 ASP 36 - HA GLU 35 OK 29 56 - 52 - 6563/3.6=12, 4.0/8821=11...(12) HD2 ARG 91 - HA GLU 43 OK 27 91 - 30 - 4063=5, 1.8/4019=4...(8) HG3 GLU 23 - HA GLU 35 OK 15 98 - 15 - 1044/3.0=2, 2.9/1542=1 HB2 ASP 36 - HA GLU 43 OK 13 51 - 25 - 3.6/6557=8, 4.0/8821=6...(7) HB3 ASP 36 - HA GLU 43 OK 12 47 - 25 - 3.6/6557=8, 4.0/8821=6...(7) HB3 ASP 87 - HA GLU 35 OK 11 88 - 12 - 4.6/8599=2, 6563/3.6=1...(4) HB2 ASP 87 - HA GLU 35 OK 11 88 - 12 - 4.6/8599=2, 6563/3.6=1...(4) HB2 ASP 36 - HA ARG 91 OK 10 61 - 17 - 4.0/8821=4, 3.6/6557=3, ~8797=1 HB3 ASP 36 - HA ARG 91 poor 9 57 - 16 - 4.0/8821=4, 3.6/6557=3, ~8797=1 HG3 GLU 23 - HA GLU 43 lone 5 90 - 6 - HB2 ASP 87 - HA GLU 43 lone 5 77 - 6 - HB3 ASP 87 - HA GLU 43 lone 5 77 - 6 - HG3 GLU 98 - HA ARG 91 lone 5 84 - 5 - HG3 GLU 98 - HA GLU 35 lone 2 82 - 2 - HG3 GLU 98 - HA GLU 43 lone 1 71 - 2 - Peak 4019 from cnoeabs.peaks (2.66, 3.89, 59.16 ppm; 5.08 A): 1 out of 9 assignments used, quality = 1.00: * HD3 ARG 91 + HA ARG 91 OK 100 100 - 100 - 4.8=100 HD3 ARG 91 - HA GLU 35 OK 42 99 - 43 - 4072=8, 2.9/4045=6...(15) HB3 ASN 51 - HA ARG 91 OK 35 84 - 41 - 4032/3.0=8, 4051/4.0=7...(11) HD2 ARG 30 - HA ARG 91 OK 32 90 - 36 - 4032/3.0=7, 7447/3.0=7...(8) HD3 ARG 91 - HA GLU 43 OK 27 91 - 30 - 4072=5, 3.5/4026=4...(9) HD2 ARG 30 - HA GLU 43 lone 6 77 - 8 - ~6688=3, ~10511=2 HB3 ASN 51 - HA GLU 35 lone 5 82 - 6 - HD2 ARG 30 - HA GLU 35 lone 4 88 - 4 - HB3 ASN 51 - HA GLU 43 lone 3 71 - 5 - Peak 4020 from cnoeabs.peaks (8.14, 3.89, 59.16 ppm; 3.95 A): 2 out of 12 assignments used, quality = 1.00: * H TRP 92 + HA ARG 91 OK 100 100 - 100 - 3.6=100 H ASP 87 + HA ARG 91 OK 60 99 - 61 - 7448/3.0=13, ~9963=11...(14) H GLY 100 - HA ARG 91 OK 25 100 - 24 - 7448/3.0=4, 4033/3.0=4...(8) H TRP 92 - HA GLU 35 OK 19 99 - 19 - 7456=3, 4.3/4026=3...(6) H TRP 92 - HA GLU 43 OK 17 91 - 19 - 7456=3, 4.3/4026=2...(6) H ASP 87 - HA GLU 35 lone 10 98 - 10 - 7380/4.1=2, 7380/4.1=2 H GLY 100 - HA GLU 43 lone 9 91 - 10 - ~6686=2, 4.6/1958=1 H ASP 87 - HA GLU 43 lone 6 89 - 7 - H GLY 100 - HA GLU 35 lone 5 99 - 5 - H HIS 106 - HA ARG 91 lone 3 65 - 4 - H HIS 106 - HA GLU 35 lone 1 64 - 1 - H HIS 106 - HA GLU 43 lone 1 54 - 1 - Peak 4021 from cnoeabs.peaks (8.26, 3.89, 59.16 ppm; 3.99 A): 6 out of 12 assignments used, quality = 0.92: * H LYS 94 + HA ARG 91 OK 49 100 - 49 - 7473/3.6=15, 7502=12...(8) H LYS 94 + HA GLU 43 OK 48 91 - 52 - 7502=13, 6698/2.9=9...(15) H PHE 45 + HA GLU 43 OK 35 90 - 39 - 6722/3.6=17, 6698/2.9=11...(4) H LYS 94 + HA GLU 35 OK 28 99 - 28 - 7502=7, 4.0/4196=4...(10) H ALA 71 + HA GLU 43 OK 24 90 - 27 - 6715/3.6=8, 6698/2.9=8, 6721=4 H PHE 45 + HA ARG 91 OK 21 99 - 21 - 10980/3.0=5, 6721=4...(5) H PHE 45 - HA GLU 35 OK 14 98 - 15 - 4.6/6705=3, 6721=3...(5) H ALA 71 - HA ARG 91 OK 14 99 - 14 - 10980/3.0=3, 7473/3.6=3, 6721=2 H GLU 23 - HA ARG 91 OK 14 87 - 16 - 7473/3.6=3, 10980/3.0=3...(6) H ALA 71 - HA GLU 35 lone 9 98 - 9 - 6721=1 H GLU 23 - HA GLU 35 lone 6 85 - 7 - 1020/3.0=1 H GLU 23 - HA GLU 43 lone 4 74 - 5 - Peak 4022 from cnoeabs.peaks (1.92, 3.89, 59.16 ppm; 3.16 A): 9 out of 36 assignments used, quality = 0.95: HB2 GLU 43 + HA GLU 43 OK 61 61 - 100 - 3.0=100 HB3 LYS 47 + HA ARG 91 OK 40 100 - 40 - 4184=6, 2146/3.0=4...(16) HB2 GLU 43 + HA GLU 35 OK 29 72 - 42 - 1.8/1971=6, 3.0/1985=4...(18) HB2 LYS 94 + HA GLU 43 OK 28 91 - 31 - 1.8/4196=7, 4184=5...(8) * HB2 LYS 94 + HA ARG 91 OK 21 100 - 22 - 1.8/4196=5, 4.0/7502=4...(6) HB2 LYS 94 + HA GLU 35 OK 17 99 - 17 - 1.8/4196=4, 4184=3...(5) HB3 LYS 47 + HA GLU 43 OK 14 91 - 16 - 2156/3.6=3, 4184=2...(5) HB2 GLU 43 + HA ARG 91 OK 13 73 - 18 - 1.8/1971=3, ~12312=2...(5) HB3 LYS 20 + HA ARG 91 OK 11 87 - 13 - HB2 MET 1 - HA GLU 35 poor 10 60 - 17 - 1.8/1529=2, 3.0/10353=2...(6) HB3 LYS 47 - HA GLU 35 lone 8 99 - 8 - 4184=1 HB VAL 32 - HA GLU 35 lone 5 64 - 8 - ~8775=3, 2.1/10162=2 HB2 LYS 13 - HA ARG 91 lone 5 98 - 5 - HB3 LYS 13 - HA ARG 91 lone 5 96 - 5 - HB2 GLU 17 - HA GLU 35 lone 4 60 - 6 - 1.8/1535=1 HB2 LYS 13 - HA GLU 43 lone 4 87 - 4 - HB3 LYS 20 - HA GLU 43 lone 3 74 - 5 - HB3 LYS 13 - HA GLU 43 lone 3 84 - 4 - HB3 LYS 20 - HA GLU 35 lone 3 85 - 3 - HB3 ARG 19 - HA ARG 91 lone 3 97 - 3 - HB3 ARG 19 - HA GLU 43 lone 3 86 - 3 - HB2 LYS 33 - HA GLU 43 lone 2 89 - 2 - HB2 LYS 13 - HA GLU 35 lone 2 97 - 2 - HB3 LYS 13 - HA GLU 35 lone 2 94 - 2 - HB3 LYS 33 - HA GLU 43 lone 2 86 - 2 - HB2 MET 1 - HA GLU 43 lone 2 51 - 4 - HB2 MET 1 - HA ARG 91 lone 2 61 - 3 - HB2 LYS 33 - HA ARG 91 lone 1 99 - 1 - HB3 LYS 33 - HA ARG 91 lone 1 97 - 1 - HB VAL 32 - HA ARG 91 lone 1 65 - 2 - HB2 LYS 33 - HA GLU 35 lone 1 98 - 1 - HB3 LYS 33 - HA GLU 35 lone 1 96 - 1 - HB2 GLU 17 - HA GLU 43 lone 1 51 - 2 - HB3 ARG 19 - HA GLU 35 lone 1 96 - 1 - HB2 GLU 17 - HA ARG 91 lone 1 61 - 2 - HB VAL 32 - HA GLU 43 lone 1 54 - 2 - Peak 4023 from cnoeabs.peaks (2.02, 3.89, 59.16 ppm; 2.93 A): 6 out of 21 assignments used, quality = 0.90: HB2 GLU 35 + HA GLU 35 OK 72 75 - 96 - 3.0=92, 1534/3.0=9...(22) HB2 GLU 35 + HA GLU 43 OK 26 65 - 40 - 1.8/1542=5, 1535=5...(17) HB3 LYS 94 + HA GLU 43 OK 23 91 - 25 - 4196=6, 1.8/4184=4...(6) * HB3 LYS 94 + HA ARG 91 OK 17 100 - 17 - 4196=4, 4.0/7502=3...(6) HB3 LYS 94 + HA GLU 35 OK 14 99 - 14 - 4196=4, 1.8/4184=2...(4) HB2 GLU 35 + HA ARG 91 OK 11 77 - 15 - 1.8/1542=2, 1535=2...(4) HB2 GLU 62 - HA GLU 35 lone 8 96 - 8 - 2737/3.0=2 HG12 ILE 93 - HA ARG 91 lone 7 77 - 9 - 4.6/7481=2, ~9955=2, 2.1/10325=2 HB3 GLU 17 - HA GLU 35 lone 5 72 - 6 - HG12 ILE 93 - HA GLU 43 lone 4 65 - 6 - 2.1/10325=1 HB2 GLN 50 - HA GLU 35 lone 2 99 - 2 - HG12 ILE 93 - HA GLU 35 lone 2 75 - 3 - HB2 GLN 50 - HA GLU 43 lone 2 91 - 2 - HB3 GLU 99 - HA ARG 91 lone 2 77 - 2 - HB2 GLU 62 - HA ARG 91 lone 1 97 - 2 - HB3 GLU 17 - HA GLU 43 lone 1 61 - 2 - HB2 GLU 62 - HA GLU 43 lone 1 86 - 2 - HB3 GLU 17 - HA ARG 91 lone 1 73 - 1 - HB2 GLN 50 - HA ARG 91 lone 1 100 - 1 - HB3 GLU 99 - HA GLU 43 lone 1 65 - 1 - HB3 GLU 99 - HA GLU 35 lone 0 75 - 1 - Peak 4024 from cnoeabs.peaks (3.66, 1.49, 29.27 ppm; 4.10 A): 2 out of 2 assignments used, quality = 0.88: * HA GLU 88 + HB2 ARG 91 OK 77 100 - 77 - 3870=23, 9960/3.5=15...(19) HA LYS 90 + HB2 ARG 91 OK 50 92 - 54 - 7428/3.9=16, 7451/4.3=10...(12) Peak 4025 from cnoeabs.peaks (7.47, 1.49, 29.27 ppm; 3.65 A): 2 out of 5 assignments used, quality = 0.97: * H ARG 91 + HB2 ARG 91 OK 94 100 - 94 - 3.9=82, 7444/2.8=13...(16) H LYS 47 + HB2 ARG 91 OK 50 100 - 51 - 6772=9, 4044/2.8=6...(20) HE ARG 46 - HB2 ARG 91 OK 24 100 - 25 - 7455/4.3=3, 4044/2.8=3...(10) HD22 ASN 26 - HB2 ARG 91 lone 9 100 - 9 - 4044/2.8=1, 4053/2.8=1...(5) HE ARG 19 - HB2 ARG 91 lone 3 65 - 4 - Peak 4026 from cnoeabs.peaks (3.89, 1.49, 29.27 ppm; 3.76 A): 1 out of 8 assignments used, quality = 1.00: * HA ARG 91 + HB2 ARG 91 OK 100 100 - 100 - 3.0=100 HA GLU 35 - HB2 ARG 91 OK 35 100 - 36 - 4045/2.8=4, 4014=4...(16) HA ALA 89 - HB2 ARG 91 OK 29 84 - 35 - 4.8/4024=6, 7430/3.9=6...(13) HA LEU 38 - HB2 ARG 91 OK 29 81 - 36 - 3.0/4030=4, 4045/2.8=3...(15) HA GLU 43 - HB2 ARG 91 OK 26 99 - 26 - 4045/2.8=3, 7441/3.9=2...(9) HB2 SER 85 - HB2 ARG 91 OK 15 77 - 19 - 9846/4.3=3, ~9872=2...(9) HA3 GLY 101 - HB2 ARG 91 OK 12 99 - 12 - 7456/4.3=2, 10102=1...(5) HB2 SER 102 - HB2 ARG 91 lone 5 98 - 5 - Peak 4027 from cnoeabs.peaks (1.49, 1.49, 29.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 91 + HB2 ARG 91 OK 100 100 - 100 Peak 4028 from cnoeabs.peaks (1.68, 1.49, 29.27 ppm; 2.86 A): 1 out of 22 assignments used, quality = 1.00: * HB3 ARG 91 + HB2 ARG 91 OK 100 100 - 100 - 1.8=100 HD3 LYS 47 - HB2 ARG 91 OK 39 100 - 40 - 3.0/2172=3, 4037=3...(17) HD2 LYS 47 - HB2 ARG 91 OK 39 100 - 40 - 3.0/2172=3, 4037=3...(17) HG3 LYS 20 - HB2 ARG 91 OK 22 96 - 23 - 1.8/4030=3, 897/2.8=2 HD2 LYS 20 - HB2 ARG 91 OK 19 99 - 19 - 2.8/4030=2, 4039/2.8=1, 4037=1 HD3 LYS 20 - HB2 ARG 91 OK 18 96 - 19 - 2.8/4030=2, 4047/2.8=1, 2183=1 HB3 LYS 53 - HB2 ARG 91 OK 17 100 - 17 - 3.0/4030=1, ~2396=1, 3.0/4030=1 HG2 PRO 86 - HB2 ARG 91 OK 13 92 - 14 - 7458/4.3=1, ~9962=1, 2.3/10957=1 HD3 LYS 90 - HB2 ARG 91 poor 10 81 - 12 - 5.2/4024=3, 3989/3.9=3 HD3 LYS 66 - HB2 ARG 91 poor 8 61 - 14 - 1.8/2934=2 HB ILE 52 - HB2 ARG 91 lone 8 87 - 9 - 3.0/4030=1 HB3 LYS 40 - HB2 ARG 91 lone 8 100 - 8 - HD2 LYS 73 - HB2 ARG 91 lone 6 77 - 8 - HD3 LYS 73 - HB2 ARG 91 lone 5 70 - 8 - HG12 ILE 15 - HB2 ARG 91 lone 3 90 - 4 - 3989/3.9=1 HD2 LYS 24 - HB2 ARG 91 lone 3 84 - 3 - HD2 LYS 12 - HB2 ARG 91 lone 3 65 - 4 - HD3 LYS 12 - HB2 ARG 91 lone 3 65 - 4 - HD2 LYS 13 - HB2 ARG 91 lone 3 65 - 4 - HD3 LYS 24 - HB2 ARG 91 lone 3 81 - 3 - HB2 LEU 2 - HB2 ARG 91 lone 2 61 - 4 - HG LEU 70 - HB2 ARG 91 lone 2 73 - 3 - Peak 4029 from cnoeabs.peaks (1.08, 1.49, 29.27 ppm; 3.59 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 91 + HB2 ARG 91 OK 100 100 - 100 - 2.8=100 HG12 ILE 76 + HB2 ARG 91 OK 52 90 - 58 - 4057/2.8=7, 4066/3.5=7...(25) HG2 LYS 82 - HB2 ARG 91 OK 25 77 - 32 - 4057/2.8=3, 4075/3.5=3...(15) Peak 4030 from cnoeabs.peaks (1.45, 1.49, 29.27 ppm; 2.40 A): 7 out of 17 assignments used, quality = 0.87: * HG3 ARG 91 + HB2 ARG 91 OK 68 100 - 68 - 2.8=60, 4040/1.8=3...(8) HG LEU 38 + HB2 ARG 91 OK 17 97 - 18 - 4055=4, 4057/2.8=1...(4) HB2 LEU 38 + HB2 ARG 91 OK 17 100 - 17 - 4049/2.8=1, 3.0/4055=1 HG13 ILE 76 + HB2 ARG 91 OK 16 73 - 22 - 1.8/4029=4, 3445/2.8=2...(12) HG2 LYS 20 + HB2 ARG 91 OK 14 99 - 14 - 1.8/4028=2, 4049/2.8=1 HG2 LYS 53 + HB2 ARG 91 OK 11 90 - 12 - HD2 LYS 82 + HB2 ARG 91 OK 10 97 - 11 - 2.9/4029=2, 4049/2.8=1 HD2 LYS 53 - HB2 ARG 91 poor 10 97 - 10 - 2440/1.8=2 HG3 LYS 53 - HB2 ARG 91 poor 8 73 - 11 - HG13 ILE 52 - HB2 ARG 91 lone 7 99 - 7 - 4055=1 HD2 LYS 40 - HB2 ARG 91 lone 5 87 - 5 - HD3 LYS 40 - HB2 ARG 91 lone 4 84 - 5 - HG2 LYS 12 - HB2 ARG 91 lone 3 97 - 2 - HB2 LEU 27 - HB2 ARG 91 lone 2 99 - 2 - HG3 LYS 39 - HB2 ARG 91 lone 1 90 - 1 - QB ALA 22 - HB2 ARG 91 lone 1 70 - 1 - HG LEU 29 - HB2 ARG 91 lone 0 70 - 1 - Peak 4031 from cnoeabs.peaks (2.49, 1.49, 29.27 ppm; 4.71 A): 4 out of 7 assignments used, quality = 1.00: * HD2 ARG 91 + HB2 ARG 91 OK 100 100 - 100 - 3.5=100 HB2 ASP 87 + HB2 ARG 91 OK 52 90 - 59 - ~10313=12, 4.0/4033=10...(20) HB3 ASP 87 + HB2 ARG 91 OK 52 90 - 59 - ~10313=12, 4.0/4033=10...(20) HG3 GLU 23 + HB2 ARG 91 OK 49 99 - 49 - 10459/2.8=8, 2.9/10461=8...(17) HB2 ASP 36 - HB2 ARG 91 poor 7 61 - 11 - HB3 ASP 36 - HB2 ARG 91 poor 6 57 - 10 - HG3 GLU 98 - HB2 ARG 91 lone 5 84 - 6 - Peak 4032 from cnoeabs.peaks (2.66, 1.49, 29.27 ppm; 4.56 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 91 + HB2 ARG 91 OK 100 100 - 100 - 3.5=100 HB3 ASN 51 - HB2 ARG 91 OK 38 84 - 45 - 4051/2.8=8, 4060/2.8=6...(16) HD2 ARG 30 - HB2 ARG 91 OK 33 90 - 36 - 4051/2.8=6, 4060/2.8=5...(12) Peak 4033 from cnoeabs.peaks (8.14, 1.49, 29.27 ppm; 4.03 A): 2 out of 4 assignments used, quality = 0.97: * H TRP 92 + HB2 ARG 91 OK 93 100 - 93 - 4.3=82, 7455/3.9=18...(10) H ASP 87 + HB2 ARG 91 OK 55 99 - 56 - 7448/3.9=11, ~10313=9...(14) H GLY 100 - HB2 ARG 91 OK 24 100 - 23 - 4052/2.8=4, 4061/2.8=4...(7) H HIS 106 - HB2 ARG 91 lone 3 65 - 4 - Peak 4034 from cnoeabs.peaks (3.66, 1.68, 29.27 ppm; 4.04 A): 4 out of 10 assignments used, quality = 0.93: * HA GLU 88 + HB3 ARG 91 OK 75 100 - 75 - 4024/1.8=22, 9960/3.5=14...(18) HA LYS 90 + HB3 ARG 91 OK 53 92 - 57 - 7428/3.9=15, 4024/1.8=15...(14) HA GLU 88 + HD3 LYS 47 OK 23 100 - 23 - 3870/3.0=4, 3871=4...(6) HA GLU 88 + HD2 LYS 47 OK 23 99 - 23 - 3870/3.0=4, 3871=4...(6) HA LYS 90 - HD3 LYS 47 OK 12 91 - 13 - 3.6/7443=4, 3921/6.3=2 HA LYS 90 - HD2 LYS 47 OK 12 90 - 13 - 3.6/7443=4, 3921/6.3=2 HA GLU 88 - HD2 LYS 20 OK 10 90 - 11 - 3867/3.5=2, 3871=2...(4) HA GLU 88 - HD3 LYS 20 poor 8 71 - 11 - 3867/3.5=2, 3871=1...(4) HA LYS 90 - HD2 LYS 20 lone 5 78 - 6 - 3.6/7443=1 HA LYS 90 - HD3 LYS 20 lone 3 60 - 6 - 3.6/7443=1 Peak 4035 from cnoeabs.peaks (7.47, 1.68, 29.27 ppm; 3.37 A): 3 out of 25 assignments used, quality = 0.99: * H ARG 91 + HB3 ARG 91 OK 87 100 - 87 - 3.9=64, 7442/1.8=18...(16) H LYS 47 + HD3 LYS 47 OK 70 100 - 70 - 6773/3.0=18, 6.3=15...(21) H LYS 47 + HD2 LYS 47 OK 69 99 - 70 - 6773/3.0=18, 6.3=15...(21) H ARG 91 - HD3 LYS 47 OK 41 100 - 41 - 2168/3.0=6, 7442/3.0=6...(16) H LYS 47 - HB3 ARG 91 OK 40 100 - 41 - 4025/1.8=9, 4044/2.8=5...(12) H ARG 91 - HD2 LYS 47 OK 40 99 - 41 - 2168/3.0=6, 7442/3.0=6...(16) HE ARG 46 - HB3 ARG 91 OK 23 100 - 23 - 4025/1.8=4, 7455/4.3=3...(10) HE ARG 46 - HD3 LYS 47 OK 16 100 - 16 - 2168/3.0=4, 2134/3.9=2...(8) HE ARG 46 - HD2 LYS 47 OK 16 99 - 16 - 2168/3.0=4, 2134/3.9=2...(8) H ARG 91 - HD2 LYS 20 OK 14 90 - 15 - 7443=2, 7445/2.8=2...(6) H LYS 47 - HD2 LYS 20 OK 11 90 - 12 - 6774=1, 2.9/2128=1, 6774/1.8=1 H ARG 91 - HD3 LYS 20 OK 10 71 - 14 - 7443=2, 7445/2.8=2...(5) HD22 ASN 26 - HB3 ARG 91 lone 9 100 - 9 - 4025/1.8=2, 4044/2.8=1 H LYS 47 - HD3 LYS 20 poor 8 71 - 12 - 6774=1, 2.9/2128=1, 6774/1.8=1 HD22 ASN 26 - HD3 LYS 47 lone 6 100 - 6 - 2168/3.0=1 HD22 ASN 26 - HD2 LYS 47 lone 6 99 - 6 - 2168/3.0=1 HE ARG 19 - HD2 LYS 20 lone 4 53 - 7 - 11044/3.5=2, 11047/3.5=2 HE ARG 19 - HD3 LYS 20 lone 3 39 - 7 - 11044/3.5=2, 11047/3.5=2 HE ARG 19 - HB3 ARG 91 lone 2 65 - 4 - HE ARG 46 - HD2 LYS 20 lone 2 90 - 2 - HE ARG 19 - HD3 LYS 47 lone 1 65 - 2 - HE ARG 19 - HD2 LYS 47 lone 1 64 - 2 - HE ARG 46 - HD3 LYS 20 lone 1 71 - 2 - HD22 ASN 26 - HD2 LYS 20 lone 1 90 - 1 - HD22 ASN 26 - HD3 LYS 20 lone 1 71 - 1 - Peak 4036 from cnoeabs.peaks (3.89, 1.68, 29.27 ppm; 3.46 A): 3 out of 40 assignments used, quality = 1.00: * HA ARG 91 + HB3 ARG 91 OK 100 100 - 100 - 3.0=100 HA ARG 91 + HD3 LYS 47 OK 48 100 - 48 - 3.0/4028=4, 4184/3.9=4...(23) HA ARG 91 + HD2 LYS 47 OK 47 99 - 48 - 3.0/4028=4, 4184/3.9=4...(23) HA GLU 35 - HB3 ARG 91 OK 31 100 - 31 - 4026/1.8=4, 4045/2.8=3...(13) HA LEU 38 - HB3 ARG 91 OK 25 81 - 31 - 4026/1.8=4, 3.8/12070=3...(13) HA ALA 89 - HB3 ARG 91 OK 23 84 - 28 - 7430/3.9=5, 3904/4.3=5...(11) HA GLU 43 - HB3 ARG 91 OK 23 99 - 23 - 4026/1.8=3, 4045/2.8=2...(9) HA ARG 91 - HD2 LYS 20 OK 21 90 - 23 - 3.0/4028=2, 4.0/4039=2...(8) HA ARG 91 - HD3 LYS 20 OK 16 71 - 23 - 3.0/4028=2, 4015=1...(6) HA GLU 43 - HD3 LYS 47 OK 13 99 - 14 - 3.6/8972=2, 4184/3.9=1...(4) HB2 SER 85 - HB3 ARG 91 OK 13 77 - 18 - 9846/4.3=3, ~9872=2...(6) HA GLU 43 - HD2 LYS 47 OK 13 98 - 14 - 3.6/8972=2, 4184/3.9=1...(4) HA3 GLY 101 - HB3 ARG 91 OK 11 99 - 11 - 4026/1.8=2, 7456/4.3=1 HA GLU 35 - HD3 LYS 47 OK 10 100 - 10 - HA GLU 35 - HD2 LYS 47 OK 10 99 - 10 - HA GLU 43 - HD2 LYS 20 lone 8 87 - 9 - HA GLU 35 - HD2 LYS 20 lone 7 90 - 7 - HA LEU 38 - HD2 LYS 20 lone 6 67 - 9 - 3.8/12070=1 HA GLU 43 - HD3 LYS 20 lone 6 69 - 8 - HA GLU 35 - HD3 LYS 20 lone 5 71 - 7 - HB2 SER 102 - HB3 ARG 91 lone 5 98 - 5 - HA LEU 38 - HD3 LYS 20 lone 4 50 - 9 - 3.8/12070=1 HA LEU 38 - HD3 LYS 47 lone 4 80 - 5 - HA LEU 38 - HD2 LYS 47 lone 4 79 - 5 - HA3 GLY 101 - HD3 LYS 47 lone 4 99 - 4 - HA3 GLY 101 - HD2 LYS 47 lone 4 98 - 4 - HA ALA 89 - HD3 LYS 47 lone 4 83 - 4 - HA ALA 89 - HD2 LYS 47 lone 4 82 - 4 - HB2 SER 85 - HD2 LYS 47 lone 2 75 - 3 - HB2 SER 85 - HD3 LYS 47 lone 2 77 - 3 - HA3 GLY 101 - HD2 LYS 20 lone 2 87 - 2 - HB2 SER 85 - HD2 LYS 20 lone 2 64 - 3 - HA ALA 89 - HD2 LYS 20 lone 2 70 - 2 - HA3 GLY 101 - HD3 LYS 20 lone 1 69 - 2 - HB2 SER 85 - HD3 LYS 20 lone 1 48 - 2 - HA ALA 89 - HD3 LYS 20 lone 1 53 - 2 - HB2 SER 102 - HD3 LYS 47 lone 1 98 - 1 - HB2 SER 102 - HD2 LYS 47 lone 1 97 - 1 - HB2 SER 102 - HD2 LYS 20 lone 0 86 - 1 - HB2 SER 102 - HD3 LYS 20 lone 0 67 - 1 - Peak 4037 from cnoeabs.peaks (1.49, 1.68, 29.27 ppm; 2.40 A): 3 out of 55 assignments used, quality = 1.00: * HB2 ARG 91 + HB3 ARG 91 OK 100 100 - 100 - 1.8=100 HG2 LYS 47 + HD3 LYS 47 OK 76 99 - 77 - 3.0=53, 1.8/2174=8...(17) HG2 LYS 47 + HD2 LYS 47 OK 75 98 - 77 - 3.0=53, 1.8/2174=8...(17) HB2 ARG 91 - HD3 LYS 47 OK 29 100 - 29 - 4028=3, 4028/1.8=3...(6) HB2 ARG 91 - HD2 LYS 47 OK 29 99 - 29 - 4028=3, 4028/1.8=3...(6) HG2 LYS 47 - HB3 ARG 91 OK 25 99 - 26 - 1.8/2174=3, 4046/2.8=2...(9) HG2 LYS 73 - HD2 LYS 47 OK 15 97 - 16 - 2162/3.0=2, 2163=1 HG2 LYS 73 - HD3 LYS 47 OK 15 98 - 15 - 2162/3.0=2, 2163=1 HG3 LYS 13 - HD2 LYS 47 OK 14 88 - 16 - 2172/3.0=2, 2163=1 HB2 ARG 91 - HD2 LYS 20 OK 14 90 - 15 - 4028=2, 4030/2.8=1...(4) HG3 LYS 13 - HD3 LYS 47 OK 14 89 - 15 - 2172/3.0=2, 2163=1 HG2 LYS 66 - HB3 ARG 91 OK 12 99 - 13 - 4046/2.8=1, 4055/2.8=1...(4) HG3 LYS 66 - HB3 ARG 91 OK 12 97 - 12 - 4046/2.8=1, 4055/2.8=1 HB2 ARG 91 - HD3 LYS 20 OK 11 71 - 15 - 4028=2, 4030/2.8=1...(4) HG2 LYS 47 - HD2 LYS 20 OK 10 87 - 12 - 1.8/2174=1, 2163=1 HG3 LYS 53 - HB3 ARG 91 poor 9 65 - 14 - 3.0/2440=1, 1.8/2429=1 HG2 LYS 47 - HD3 LYS 20 poor 8 69 - 12 - 1.8/2174=1, 2163=1 HG3 LYS 53 - HD2 LYS 20 poor 8 53 - 15 - 3.0/2440=1, 1.8/2429=1 HB3 LEU 64 - HB3 ARG 91 lone 6 99 - 6 - HG LEU 64 - HB3 ARG 91 lone 6 98 - 6 - HG3 LYS 53 - HD3 LYS 20 poor 6 39 - 15 - 3.0/2440=1 HG2 LYS 73 - HB3 ARG 91 lone 5 98 - 5 - HG LEU 57 - HB3 ARG 91 lone 5 77 - 6 - HG3 LYS 13 - HB3 ARG 91 lone 3 90 - 3 - HG2 LYS 73 - HD2 LYS 20 lone 2 86 - 3 - HG2 LYS 66 - HD3 LYS 47 lone 2 99 - 2 - HG2 LYS 66 - HD2 LYS 47 lone 2 98 - 2 - HG3 LYS 66 - HD3 LYS 47 lone 2 97 - 2 - HG3 LYS 66 - HD2 LYS 47 lone 2 96 - 2 - HG2 LYS 66 - HD2 LYS 20 lone 2 87 - 2 - HG3 LYS 66 - HD2 LYS 20 lone 2 84 - 2 - HG3 LYS 53 - HD3 LYS 47 lone 2 65 - 3 - HG3 LYS 33 - HD3 LYS 47 lone 2 65 - 3 - HG3 LYS 53 - HD2 LYS 47 lone 2 64 - 3 - HG3 LYS 33 - HD2 LYS 47 lone 2 64 - 3 - HG2 LYS 73 - HD3 LYS 20 lone 2 67 - 2 - HB3 LEU 64 - HD3 LYS 47 lone 2 99 - 2 - HB3 LEU 64 - HD2 LYS 47 lone 2 98 - 2 - HG LEU 64 - HD3 LYS 47 lone 2 98 - 2 - HG LEU 64 - HD2 LYS 47 lone 2 97 - 1 - HG2 LYS 66 - HD3 LYS 20 lone 2 69 - 2 - HG3 LYS 66 - HD3 LYS 20 lone 1 66 - 2 - HG LEU 57 - HD3 LYS 47 lone 1 77 - 1 - HG LEU 57 - HD2 LYS 47 lone 1 75 - 1 - HG3 LYS 33 - HB3 ARG 91 lone 1 65 - 1 - HG3 LYS 13 - HD2 LYS 20 lone 1 76 - 1 - HB3 LEU 64 - HD2 LYS 20 lone 0 88 - 1 - HG LEU 64 - HD2 LYS 20 lone 0 86 - 1 - HG3 LYS 13 - HD3 LYS 20 lone 0 58 - 1 - HB3 LEU 64 - HD3 LYS 20 lone 0 70 - 1 - HG LEU 64 - HD3 LYS 20 lone 0 67 - 0 - HG LEU 57 - HD2 LYS 20 lone 0 64 - 0 - HG3 LYS 33 - HD2 LYS 20 lone 0 53 - 0 - HG LEU 57 - HD3 LYS 20 lone 0 48 - 0 - HG3 LYS 33 - HD3 LYS 20 lone 0 39 - 0 - Peak 4038 from cnoeabs.peaks (1.68, 1.68, 29.27 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 ARG 91 + HB3 ARG 91 OK 100 100 - 100 HD3 LYS 47 + HD3 LYS 47 OK 100 100 - 100 HD2 LYS 47 + HD2 LYS 47 OK 99 99 - 100 HD2 LYS 20 + HD2 LYS 20 OK 87 87 - 100 HD3 LYS 20 + HD3 LYS 20 OK 64 64 - 100 Peak 4039 from cnoeabs.peaks (1.08, 1.68, 29.27 ppm; 3.95 A): 4 out of 15 assignments used, quality = 1.00: * HG2 ARG 91 + HB3 ARG 91 OK 100 100 - 100 - 2.8=100 HG12 ILE 76 + HB3 ARG 91 OK 59 90 - 66 - 4029/1.8=12, 4066/3.5=8...(24) HG2 ARG 91 + HD3 LYS 47 OK 57 100 - 58 - 4047=6, 4046/3.0=6...(30) HG2 ARG 91 + HD2 LYS 47 OK 57 99 - 58 - 4047=6, 4046/3.0=6...(29) HG2 ARG 91 - HD2 LYS 20 OK 37 90 - 42 - 10992/5.3=6, 4047=4...(19) HG2 LYS 82 - HB3 ARG 91 OK 30 77 - 38 - 4029/1.8=6, 4075/3.5=4...(15) HG2 ARG 91 - HD3 LYS 20 OK 29 71 - 41 - 10992/5.3=6, 4047=4...(19) HG12 ILE 76 - HD2 LYS 47 lone 6 88 - 7 - HG12 ILE 76 - HD3 LYS 47 lone 6 89 - 7 - HG12 ILE 76 - HD2 LYS 20 lone 3 76 - 4 - HG2 LYS 82 - HD2 LYS 20 lone 2 64 - 3 - HG12 ILE 76 - HD3 LYS 20 lone 2 58 - 3 - HG2 LYS 82 - HD3 LYS 47 lone 2 77 - 2 - HG2 LYS 82 - HD2 LYS 47 lone 2 75 - 2 - HG2 LYS 82 - HD3 LYS 20 lone 2 48 - 3 - Peak 4040 from cnoeabs.peaks (1.45, 1.68, 29.27 ppm; 2.41 A): 3 out of 85 assignments used, quality = 0.95: * HG3 ARG 91 + HB3 ARG 91 OK 71 100 - 71 - 2.8=60, 4055/1.8=11...(9) HG2 LYS 20 + HD2 LYS 20 OK 65 87 - 74 - 2.8=60, 889/1.8=5...(16) HG2 LYS 20 + HD3 LYS 20 OK 51 69 - 74 - 2.8=60, 889/1.8=5...(16) HG3 ARG 91 - HD3 LYS 47 OK 23 100 - 23 - 4055/3.0=2, 2.8/4028=2...(9) HG3 ARG 91 - HD2 LYS 47 OK 23 99 - 23 - 4055/3.0=2, 2.8/4028=2...(9) HB2 LEU 38 - HB3 ARG 91 OK 19 100 - 19 - 4030/1.8=3, 4049/2.8=1 HG LEU 38 - HB3 ARG 91 OK 17 97 - 18 - 4030/1.8=3, 2.1/12070=1...(4) HG13 ILE 76 - HB3 ARG 91 OK 16 73 - 22 - ~4029=3, 4030/1.8=2...(13) HG2 LYS 53 - HB3 ARG 91 OK 15 90 - 16 - 4030/1.8=2, 888=1...(4) HG2 LYS 20 - HB3 ARG 91 OK 14 99 - 15 - 4030/1.8=2, 888=1, 4049/2.8=1 HD2 LYS 53 - HD2 LYS 20 OK 14 84 - 17 - 2440=2, 2440/1.8=2...(4) HD2 LYS 53 - HB3 ARG 91 OK 14 97 - 14 - 2440=2, 4030/1.8=2, 1.8/2451=1 HG2 LYS 53 - HD2 LYS 20 OK 14 76 - 18 - 897/2.8=1, 888=1...(6) HG3 ARG 91 - HD2 LYS 20 OK 14 90 - 15 - 897/2.8=1, 1.8/4047=1 HD2 LYS 82 - HB3 ARG 91 OK 11 97 - 12 - 4030/1.8=2, 4049/2.8=1 HD2 LYS 53 - HD3 LYS 20 OK 11 66 - 17 - 2440=2, 2440/1.8=2...(4) HG3 ARG 91 - HD3 LYS 20 OK 11 71 - 15 - 897/2.8=1, 1.8/4047=1 HG3 LYS 53 - HD2 LYS 20 OK 11 60 - 18 - 3.0/2440=1, 897/2.8=1...(5) HG2 LYS 20 - HD3 LYS 47 OK 10 99 - 10 - 888=1 HG2 LYS 20 - HD2 LYS 47 OK 10 98 - 10 - 888=1 HG2 LYS 53 - HD3 LYS 20 OK 10 58 - 18 - 897/2.8=1, 888=1...(5) HG3 LYS 53 - HB3 ARG 91 OK 10 73 - 14 - 4030/1.8=1, 3.0/2440=1 HG13 ILE 52 - HD2 LYS 20 poor 9 87 - 11 - 897/2.8=1 HG13 ILE 52 - HB3 ARG 91 lone 8 99 - 8 - 4030/1.8=1 HG3 LYS 53 - HD3 LYS 20 poor 8 45 - 17 - 897/2.8=1, 3.0/2440=1, 2429=1 HD2 LYS 40 - HD2 LYS 20 poor 7 73 - 10 - HG13 ILE 52 - HD3 LYS 20 poor 7 69 - 11 - 897/2.8=1 HD3 LYS 40 - HD2 LYS 20 poor 7 70 - 10 - HD2 LYS 40 - HB3 ARG 91 lone 6 87 - 7 - HB2 LEU 38 - HD2 LYS 20 lone 6 89 - 7 - HG LEU 38 - HD2 LYS 20 lone 6 84 - 7 - HD3 LYS 40 - HB3 ARG 91 lone 6 84 - 7 - HD2 LYS 40 - HD3 LYS 20 lone 6 56 - 10 - HD3 LYS 40 - HD3 LYS 20 lone 5 53 - 10 - HB2 LEU 38 - HD3 LYS 20 lone 5 70 - 7 - HG LEU 38 - HD3 LYS 20 lone 5 66 - 7 - HG13 ILE 52 - HD3 LYS 47 lone 4 99 - 4 - HG13 ILE 52 - HD2 LYS 47 lone 4 98 - 4 - HD2 LYS 53 - HD3 LYS 47 lone 3 97 - 3 - HD2 LYS 53 - HD2 LYS 47 lone 3 96 - 3 - HB2 LEU 27 - HD2 LYS 20 lone 3 87 - 4 - HG2 LYS 53 - HD3 LYS 47 lone 3 89 - 3 - HG2 LYS 53 - HD2 LYS 47 lone 3 88 - 3 - HD2 LYS 40 - HD3 LYS 47 lone 2 86 - 3 - HD2 LYS 40 - HD2 LYS 47 lone 2 85 - 3 - HB2 LEU 27 - HD3 LYS 20 lone 2 69 - 4 - HG2 LYS 12 - HB3 ARG 91 lone 2 97 - 2 - HD3 LYS 40 - HD3 LYS 47 lone 2 83 - 3 - HD3 LYS 40 - HD2 LYS 47 lone 2 82 - 3 - HB2 LEU 27 - HB3 ARG 91 lone 2 99 - 2 - HB2 LEU 38 - HD3 LYS 47 lone 2 100 - 2 - HB2 LEU 38 - HD2 LYS 47 lone 2 99 - 2 - HG3 LYS 53 - HD3 LYS 47 lone 2 73 - 3 - HG3 LYS 53 - HD2 LYS 47 lone 2 71 - 3 - HG2 LYS 12 - HD2 LYS 47 lone 2 96 - 2 - HG LEU 38 - HD3 LYS 47 lone 2 97 - 2 - HG2 LYS 12 - HD3 LYS 47 lone 2 97 - 2 - HG LEU 38 - HD2 LYS 47 lone 2 96 - 2 - HG3 LYS 39 - HB3 ARG 91 lone 2 90 - 2 - HD2 LYS 82 - HD2 LYS 20 lone 1 84 - 2 - HG13 ILE 76 - HD2 LYS 47 lone 1 71 - 2 - HG13 ILE 76 - HD3 LYS 47 lone 1 73 - 2 - HD2 LYS 82 - HD3 LYS 20 lone 1 66 - 2 - HG2 LYS 12 - HD2 LYS 20 lone 1 84 - 1 - QB ALA 22 - HB3 ARG 91 lone 1 70 - 1 - HG3 LYS 39 - HD2 LYS 20 lone 1 76 - 1 - QB ALA 22 - HD2 LYS 20 lone 1 57 - 1 - HG2 LYS 12 - HD3 LYS 20 lone 1 66 - 1 - HD2 LYS 82 - HD3 LYS 47 lone 1 97 - 1 - HD2 LYS 82 - HD2 LYS 47 lone 1 96 - 1 - HG3 LYS 39 - HD3 LYS 20 lone 1 58 - 1 - QB ALA 22 - HD3 LYS 47 lone 1 69 - 1 - QB ALA 22 - HD2 LYS 47 lone 1 68 - 1 - HB2 LEU 27 - HD3 LYS 47 lone 0 99 - 0 - HB2 LEU 27 - HD2 LYS 47 lone 0 98 - 0 - QB ALA 22 - HD3 LYS 20 lone 1 42 - 1 - HG LEU 29 - HB3 ARG 91 lone 0 70 - 1 - HG3 LYS 39 - HD3 LYS 47 lone 0 89 - 1 - HG3 LYS 39 - HD2 LYS 47 lone 0 88 - 1 - HG13 ILE 76 - HD2 LYS 20 lone 0 60 - 1 - HG13 ILE 76 - HD3 LYS 20 lone 0 45 - 1 - HG LEU 29 - HD3 LYS 47 lone 0 69 - 0 - HG LEU 29 - HD2 LYS 47 lone 0 68 - 0 - HG LEU 29 - HD2 LYS 20 lone 0 57 - 0 - HG LEU 29 - HD3 LYS 20 lone 0 42 - 0 - Peak 4041 from cnoeabs.peaks (2.49, 1.68, 29.27 ppm; 4.55 A): 6 out of 35 assignments used, quality = 1.00: * HD2 ARG 91 + HB3 ARG 91 OK 100 100 - 100 - 3.5=100 HD2 ARG 91 + HD3 LYS 47 OK 64 100 - 65 - 4064/3.0=6, 4065=6...(29) HD2 ARG 91 + HD2 LYS 47 OK 64 99 - 65 - 4064/3.0=6, 4065=6...(29) HB3 ASP 87 + HB3 ARG 91 OK 53 90 - 60 - 3.0/10313=15, 4031/1.8=7...(20) HB2 ASP 87 + HB3 ARG 91 OK 53 90 - 60 - 3.0/10313=15, 4031/1.8=7...(20) HG3 GLU 23 + HB3 ARG 91 OK 47 99 - 48 - 10459/2.8=7, 4031/1.8=7...(16) HD2 ARG 91 - HD2 LYS 20 OK 39 90 - 44 - 4065=4, 2.9/4039=4...(20) HD2 ARG 91 - HD3 LYS 20 OK 31 71 - 43 - 4065=3, 4065/1.8=3...(19) HG3 GLU 23 - HD2 LYS 20 OK 12 88 - 14 - 10471/5.3=5, ~10461=1...(5) HG3 GLU 23 - HD3 LYS 47 lone 10 99 - 10 - 1043/5.1=1 HG3 GLU 23 - HD2 LYS 47 lone 10 98 - 10 - 1043/5.1=1 HG3 GLU 23 - HD3 LYS 20 poor 10 70 - 14 - 10471/5.3=5, ~10461=1...(4) HB2 ASP 87 - HD3 LYS 47 lone 9 89 - 10 - 3.0/10313=3, ~10313=2 HB3 ASP 87 - HD3 LYS 47 lone 9 89 - 10 - 3.0/10313=3, ~10313=2 HB2 ASP 87 - HD2 LYS 47 lone 8 88 - 9 - 3.0/10313=3, ~10313=2 HB3 ASP 87 - HD2 LYS 47 lone 8 88 - 9 - 3.0/10313=3, ~10313=2 HB2 ASP 36 - HB3 ARG 91 poor 8 61 - 12 - 4.0/8828=2 HB3 ASP 36 - HB3 ARG 91 poor 7 57 - 12 - 4.0/8828=2 HG3 GLU 98 - HB3 ARG 91 lone 6 84 - 6 - HB3 ASP 87 - HD2 LYS 20 lone 5 76 - 7 - 3.0/10313=2 HB2 ASP 87 - HD2 LYS 20 lone 5 76 - 7 - 3.0/10313=2 HB2 ASP 87 - HD3 LYS 20 lone 4 58 - 6 - ~10313=1, 3.0/10313=1 HB3 ASP 87 - HD3 LYS 20 lone 4 58 - 6 - ~10313=1, 3.0/10313=1 HB2 ASP 36 - HD2 LYS 20 lone 3 50 - 6 - 4.0/8828=1 HB3 ASP 36 - HD2 LYS 20 lone 3 46 - 6 - 4.0/8828=1 HG3 GLU 98 - HD2 LYS 20 lone 2 70 - 3 - 4397/5.9=1 HB2 ASP 36 - HD3 LYS 47 lone 2 61 - 3 - 4.0/8828=1 HB2 ASP 36 - HD3 LYS 20 lone 2 37 - 6 - 4.0/8828=1 HB2 ASP 36 - HD2 LYS 47 lone 2 60 - 3 - 4.0/8828=1 HB3 ASP 36 - HD3 LYS 20 lone 2 34 - 6 - 4.0/8828=1 HB3 ASP 36 - HD3 LYS 47 lone 2 57 - 3 - 4.0/8828=1 HB3 ASP 36 - HD2 LYS 47 lone 2 56 - 3 - 4.0/8828=1 HG3 GLU 98 - HD3 LYS 20 lone 2 53 - 3 - 4397/5.9=1 HG3 GLU 98 - HD3 LYS 47 lone 1 83 - 2 - HG3 GLU 98 - HD2 LYS 47 lone 1 82 - 2 - Peak 4042 from cnoeabs.peaks (2.66, 1.68, 29.27 ppm; 4.71 A): 3 out of 15 assignments used, quality = 1.00: * HD3 ARG 91 + HB3 ARG 91 OK 100 100 - 100 - 3.5=100 HD3 ARG 91 + HD3 LYS 47 OK 66 100 - 67 - 4073/3.0=7, 4074=6...(31) HD3 ARG 91 + HD2 LYS 47 OK 66 99 - 67 - 4073/3.0=7, 4074=6...(31) HB3 ASN 51 - HB3 ARG 91 OK 44 84 - 52 - 4032/1.8=9, 4051/2.8=8...(18) HD3 ARG 91 - HD2 LYS 20 OK 41 90 - 46 - 2.9/4039=4, 4074=4...(20) HD2 ARG 30 - HB3 ARG 91 OK 37 90 - 41 - 4032/1.8=8, 4051/2.8=7...(12) HD3 ARG 91 - HD3 LYS 20 OK 32 71 - 45 - 4074=4, 4074/1.8=3...(19) HB3 ASN 51 - HD2 LYS 20 OK 13 70 - 19 - ~903=3, ~892=2...(7) HB3 ASN 51 - HD3 LYS 20 poor 9 53 - 18 - ~903=3, ~892=2...(7) HD2 ARG 30 - HD2 LYS 20 lone 7 76 - 9 - ~893=2, ~882=1 HB3 ASN 51 - HD3 LYS 47 lone 6 83 - 8 - HB3 ASN 51 - HD2 LYS 47 lone 6 82 - 7 - HD2 ARG 30 - HD3 LYS 20 lone 5 58 - 9 - ~893=2, ~882=1 HD2 ARG 30 - HD3 LYS 47 lone 3 89 - 3 - HD2 ARG 30 - HD2 LYS 47 lone 3 88 - 3 - Peak 4043 from cnoeabs.peaks (8.14, 1.68, 29.27 ppm; 3.87 A): 2 out of 20 assignments used, quality = 0.96: * H TRP 92 + HB3 ARG 91 OK 90 100 - 90 - 4.3=73, 7457/1.8=24...(11) H ASP 87 + HB3 ARG 91 OK 56 99 - 57 - 4033/1.8=11...(16) H GLY 100 - HB3 ARG 91 OK 24 100 - 24 - 4033/1.8=5, 4052/2.8=4...(7) H TRP 92 - HD3 LYS 47 OK 22 100 - 23 - 7458=4, 7457/3.0=4...(7) H TRP 92 - HD2 LYS 47 OK 22 99 - 23 - 7457/3.0=4, 7458=4...(7) H ASP 87 - HD3 LYS 47 OK 11 99 - 11 - 2.9/10313=2, ~10313=1 H TRP 92 - HD2 LYS 20 OK 11 90 - 12 - 7460/2.8=2, 7458=2...(6) H ASP 87 - HD2 LYS 47 OK 11 98 - 11 - 2.9/10313=2, ~10313=1 H TRP 92 - HD3 LYS 20 poor 8 71 - 11 - 7460/2.8=2, 7458=2...(5) H ASP 87 - HD2 LYS 20 lone 6 87 - 7 - 2.9/10313=1 H ASP 87 - HD3 LYS 20 lone 5 69 - 7 - H GLY 100 - HD2 LYS 20 lone 3 90 - 4 - 7619/5.9=1 H GLY 100 - HD3 LYS 47 lone 3 100 - 3 - H GLY 100 - HD2 LYS 47 lone 3 99 - 3 - H GLY 100 - HD3 LYS 20 lone 3 71 - 4 - 7619/5.9=1 H HIS 106 - HB3 ARG 91 lone 3 65 - 4 - H HIS 106 - HD3 LYS 47 lone 1 65 - 1 - H HIS 106 - HD2 LYS 47 lone 1 64 - 1 - H HIS 106 - HD2 LYS 20 lone 0 53 - 1 - H HIS 106 - HD3 LYS 20 lone 0 39 - 1 - Peak 4044 from cnoeabs.peaks (7.47, 1.08, 26.80 ppm; 4.43 A): 2 out of 5 assignments used, quality = 0.98: * H ARG 91 + HG2 ARG 91 OK 96 100 - 96 - 4.8=81, 4025/2.8=20...(15) H LYS 47 + HG2 ARG 91 OK 51 100 - 52 - 4025/2.8=11, 4053/1.8=9...(16) HE ARG 46 - HG2 ARG 91 OK 28 100 - 28 - 4025/2.8=5, 3.6/10176=5...(8) HD22 ASN 26 - HG2 ARG 91 OK 12 100 - 12 - 4053/1.8=2, 4025/2.8=2...(5) HE ARG 19 - HG2 ARG 91 lone 4 65 - 6 - Peak 4045 from cnoeabs.peaks (3.89, 1.08, 26.80 ppm; 3.95 A): 1 out of 8 assignments used, quality = 0.99: * HA ARG 91 + HG2 ARG 91 OK 99 100 - 99 - 4.0=97, 3.0/7444=15...(24) HA GLU 35 - HG2 ARG 91 OK 32 100 - 32 - 4016=6, 4026/2.8=5...(11) HA LEU 38 - HG2 ARG 91 OK 27 81 - 34 - 4026/2.8=4, 3.0/4049=3...(20) HA GLU 43 - HG2 ARG 91 OK 22 99 - 22 - 4016=4, 4026/2.8=3...(8) HA ALA 89 - HG2 ARG 91 OK 21 84 - 25 - 7430/4.8=5, 4.8/9959=5...(9) HB2 SER 85 - HG2 ARG 91 OK 13 77 - 17 - ~9872=3, 9868/2.9=2...(8) HA3 GLY 101 - HG2 ARG 91 lone 8 99 - 8 - 10102/2.8=2, 7441/4.8=1 HB2 SER 102 - HG2 ARG 91 lone 4 98 - 4 - Peak 4046 from cnoeabs.peaks (1.49, 1.08, 26.80 ppm; 2.87 A): 1 out of 11 assignments used, quality = 1.00: * HB2 ARG 91 + HG2 ARG 91 OK 100 100 - 100 - 2.8=100 HG2 LYS 47 - HG2 ARG 91 OK 31 99 - 32 - 4055/1.8=4, 4073/2.9=3...(11) HG2 LYS 66 - HG2 ARG 91 OK 18 99 - 18 - 2.9/10781=3, 4055/1.8=3...(5) HG3 LYS 66 - HG2 ARG 91 OK 18 97 - 18 - 2.9/10781=3, 4055/1.8=3...(7) HG3 LYS 53 - HG2 ARG 91 OK 11 65 - 18 - 1.8/4049=2, 4055/1.8=1...(5) HG LEU 64 - HG2 ARG 91 lone 8 98 - 8 - 4055/1.8=1 HB3 LEU 64 - HG2 ARG 91 lone 8 99 - 8 - 4055/1.8=1 HG2 LYS 73 - HG2 ARG 91 lone 7 98 - 7 - HG3 LYS 13 - HG2 ARG 91 lone 4 90 - 4 - HG LEU 57 - HG2 ARG 91 lone 3 77 - 4 - HG3 LYS 33 - HG2 ARG 91 lone 1 65 - 1 - Peak 4047 from cnoeabs.peaks (1.68, 1.08, 26.80 ppm; 3.61 A): 3 out of 22 assignments used, quality = 1.00: * HB3 ARG 91 + HG2 ARG 91 OK 100 100 - 100 - 2.8=100 HD3 LYS 47 + HG2 ARG 91 OK 51 100 - 52 - 4039=6, 3.0/4046=5...(26) HD2 LYS 47 + HG2 ARG 91 OK 51 100 - 52 - 4039=5, 3.0/4046=5...(25) HG3 LYS 20 - HG2 ARG 91 OK 36 96 - 38 - 3.7/10992=6, 897/1.8=3...(13) HD2 LYS 20 - HG2 ARG 91 OK 34 99 - 35 - 5.3/10992=5, 4039=4...(13) HD3 LYS 20 - HG2 ARG 91 OK 33 96 - 34 - 5.3/10992=5, 1.8/4039=3...(14) HB3 LYS 53 - HG2 ARG 91 OK 23 100 - 23 - 3.0/4046=2, 4028/2.8=2...(10) HG2 PRO 86 - HG2 ARG 91 OK 16 92 - 17 - ~9962=2, ~9888=2...(7) HB ILE 52 - HG2 ARG 91 OK 14 87 - 16 - 3.0/4049=1, 2347/1.8=1 HD3 LYS 66 - HG2 ARG 91 OK 13 61 - 21 - 2.9/4046=3, 2.9/4046=3...(7) HB3 LYS 40 - HG2 ARG 91 OK 13 100 - 12 - HD3 LYS 90 - HG2 ARG 91 OK 12 81 - 15 - 5.2/9959=4, 3989/4.8=4...(4) HD2 LYS 73 - HG2 ARG 91 poor 8 77 - 10 - 3.0/4046=1 HD3 LYS 73 - HG2 ARG 91 poor 7 70 - 10 - 3.0/4046=1 HG12 ILE 15 - HG2 ARG 91 lone 4 90 - 5 - 3989/4.8=1 HD2 LYS 12 - HG2 ARG 91 lone 4 65 - 6 - HD3 LYS 12 - HG2 ARG 91 lone 4 65 - 6 - HD2 LYS 24 - HG2 ARG 91 lone 4 84 - 4 - HD2 LYS 13 - HG2 ARG 91 lone 4 65 - 5 - HD3 LYS 24 - HG2 ARG 91 lone 3 81 - 4 - HB2 LEU 2 - HG2 ARG 91 lone 3 61 - 4 - HG LEU 70 - HG2 ARG 91 lone 3 73 - 3 - Peak 4048 from cnoeabs.peaks (1.08, 1.08, 26.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 91 + HG2 ARG 91 OK 100 100 - 100 Peak 4049 from cnoeabs.peaks (1.45, 1.08, 26.80 ppm; 2.55 A): 1 out of 17 assignments used, quality = 1.00: * HG3 ARG 91 + HG2 ARG 91 OK 100 100 - 100 - 1.8=100 HG13 ILE 76 - HG2 ARG 91 OK 23 73 - 32 - 2.1/3453=5, 3445=4...(15) HB2 LEU 38 - HG2 ARG 91 OK 20 100 - 21 - 4030/2.8=2, 3.0/4057=1...(5) HG LEU 38 - HG2 ARG 91 OK 18 97 - 19 - 4057=4, 4030/2.8=2...(5) HG2 LYS 20 - HG2 ARG 91 OK 17 99 - 18 - 3.7/10992=2, 4030/2.8=2...(8) HD2 LYS 82 - HG2 ARG 91 OK 16 97 - 16 - 1.8/3707=1, 4030/2.8=1...(4) HG2 LYS 53 - HG2 ARG 91 OK 12 90 - 14 - 1.8/4046=1, 4030/2.8=1 HD2 LYS 53 - HG2 ARG 91 OK 11 97 - 12 - 2440/2.8=1, 4030/2.8=1 HG13 ILE 52 - HG2 ARG 91 lone 9 99 - 9 - 4057=1 HG3 LYS 53 - HG2 ARG 91 poor 8 73 - 11 - HD2 LYS 40 - HG2 ARG 91 lone 6 87 - 7 - HD3 LYS 40 - HG2 ARG 91 lone 6 84 - 7 - HG2 LYS 12 - HG2 ARG 91 lone 3 97 - 3 - HB2 LEU 27 - HG2 ARG 91 lone 2 99 - 2 - HG3 LYS 39 - HG2 ARG 91 lone 2 90 - 2 - QB ALA 22 - HG2 ARG 91 lone 1 70 - 1 - HG LEU 29 - HG2 ARG 91 lone 1 70 - 1 - Peak 4050 from cnoeabs.peaks (2.49, 1.08, 26.80 ppm; 3.82 A): 1 out of 7 assignments used, quality = 1.00: * HD2 ARG 91 + HG2 ARG 91 OK 100 100 - 100 - 2.9=100 HB2 ASP 87 - HG2 ARG 91 OK 35 90 - 40 - ~10313=6, 4.0/4052=6...(16) HB3 ASP 87 - HG2 ARG 91 OK 35 90 - 40 - ~10313=6, 4.0/4052=6...(16) HG3 GLU 23 - HG2 ARG 91 OK 35 99 - 35 - 10459/1.8=6, 4031/2.8=4...(13) HB2 ASP 36 - HG2 ARG 91 lone 4 61 - 6 - HG3 GLU 98 - HG2 ARG 91 lone 3 84 - 4 - HB3 ASP 36 - HG2 ARG 91 lone 3 57 - 6 - Peak 4051 from cnoeabs.peaks (2.66, 1.08, 26.80 ppm; 3.90 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 91 + HG2 ARG 91 OK 100 100 - 100 - 2.9=100 HB3 ASN 51 - HG2 ARG 91 OK 31 84 - 37 - 4060/1.8=6, 4032/2.8=5...(15) HD2 ARG 30 - HG2 ARG 91 OK 26 90 - 29 - 4060/1.8=5, 4032/2.8=5...(11) Peak 4052 from cnoeabs.peaks (8.14, 1.08, 26.80 ppm; 4.95 A): 2 out of 4 assignments used, quality = 0.94: * H TRP 92 + HG2 ARG 91 OK 83 100 - 83 - 7459=28, 7457/2.8=26...(10) H ASP 87 + HG2 ARG 91 OK 67 99 - 68 - 4061/1.8=13, 4033/2.8=13...(13) H GLY 100 - HG2 ARG 91 OK 31 100 - 31 - 4061/1.8=6, 4033/2.8=6...(7) H HIS 106 - HG2 ARG 91 lone 4 65 - 5 - Peak 4053 from cnoeabs.peaks (7.47, 1.45, 26.80 ppm; 3.96 A): 2 out of 15 assignments used, quality = 0.93: * H ARG 91 + HG3 ARG 91 OK 87 100 - 87 - 4.8=58, 7444/1.8=19...(12) H LYS 47 + HG3 ARG 91 OK 44 100 - 45 - 4025/2.8=9, 4044/1.8=8...(13) HE ARG 46 - HG3 ARG 91 OK 25 100 - 25 - 4044/1.8=5, 4025/2.8=4...(10) H ARG 91 - HG LEU 38 OK 20 68 - 29 - 7445=4, 7445/3.0=3...(15) HD22 ASN 26 - HG3 ARG 91 OK 11 100 - 11 - 4044/1.8=2, 4025/2.8=2...(4) HE ARG 46 - HG LEU 38 lone 7 68 - 10 - 3.6/10177=2, 3.6/10178=2...(5) H LYS 47 - HG LEU 38 lone 6 68 - 8 - 6757/3.7=1, 4.7/10180=1 H ARG 91 - HG13 ILE 52 poor 6 48 - 11 - 7445=2, 9955/3.2=1...(4) HE ARG 19 - HG3 ARG 91 lone 3 65 - 5 - H LYS 47 - HG13 ILE 52 lone 3 48 - 6 - HE ARG 46 - HG13 ILE 52 lone 3 48 - 5 - 4.5/10179=1, 4.5/10180=1 HD22 ASN 26 - HG LEU 38 lone 2 68 - 2 - HD22 ASN 26 - HG13 ILE 52 lone 1 48 - 2 - HE ARG 19 - HG LEU 38 lone 1 37 - 2 - HE ARG 19 - HG13 ILE 52 lone 0 25 - 2 - Peak 4054 from cnoeabs.peaks (3.89, 1.45, 26.80 ppm; 3.56 A): 2 out of 24 assignments used, quality = 0.95: * HA ARG 91 + HG3 ARG 91 OK 91 100 - 91 - 4.0=71, 3.0/4055=14...(19) HA LEU 38 + HG LEU 38 OK 47 48 - 98 - 3.7=92, 1621/2.1=16...(17) HA GLU 43 - HG LEU 38 OK 27 65 - 42 - 10168/2.1=5, 10167/2.1=5...(17) HA GLU 35 - HG3 ARG 91 OK 27 100 - 27 - 4045/1.8=4, 4026/2.8=4...(10) HA GLU 35 - HG LEU 38 OK 25 68 - 37 - 12057/5.3=6, 10168/2.1=5...(16) HA LEU 38 - HG3 ARG 91 OK 22 81 - 28 - 4045/1.8=4, 4026/2.8=3...(13) HA ARG 91 - HG LEU 38 OK 21 68 - 32 - 3.0/4030=3, 10168/2.1=3...(14) HA GLU 43 - HG3 ARG 91 OK 18 99 - 18 - 4045/1.8=3, 4026/2.8=3...(7) HA ALA 89 - HG3 ARG 91 OK 14 84 - 17 - 7430/4.8=4, 4026/2.8=3...(8) HB2 SER 85 - HG3 ARG 91 OK 11 77 - 14 - ~9872=3, 4045/1.8=2...(6) HA3 GLY 101 - HG3 ARG 91 lone 7 99 - 7 - 10102/2.8=1, 4045/1.8=1 HA LEU 38 - HG13 ILE 52 poor 7 33 - 22 - ~8856=3, ~8857=2...(12) HA ARG 91 - HG13 ILE 52 poor 6 48 - 12 - 3.0/4030=1, 3.6/7460=1 HA GLU 43 - HG13 ILE 52 lone 4 46 - 9 - ~6690=2 HB2 SER 102 - HG3 ARG 91 lone 4 98 - 3 - HA3 GLY 101 - HG LEU 38 lone 3 65 - 5 - HA GLU 35 - HG13 ILE 52 lone 2 48 - 5 - HA ALA 89 - HG LEU 38 lone 2 50 - 3 - HA ALA 89 - HG13 ILE 52 lone 2 35 - 5 - 9930/2.1=2, ~9925=1 HB2 SER 85 - HG13 ILE 52 lone 1 31 - 5 - 10955/2.1=1, ~9867=1 HA3 GLY 101 - HG13 ILE 52 lone 1 46 - 3 - HB2 SER 102 - HG LEU 38 lone 1 64 - 1 - HB2 SER 85 - HG LEU 38 lone 1 45 - 1 - HB2 SER 102 - HG13 ILE 52 lone 0 45 - 1 - Peak 4055 from cnoeabs.peaks (1.49, 1.45, 26.80 ppm; 2.40 A): 5 out of 33 assignments used, quality = 0.83: * HB2 ARG 91 + HG3 ARG 91 OK 68 100 - 68 - 2.8=60, 1.8/4040=3...(8) HG2 LYS 47 + HG3 ARG 91 OK 20 99 - 21 - 4046/1.8=3, 4073/2.9=2...(6) HB2 ARG 91 + HG LEU 38 OK 13 68 - 20 - 4030=4, 4030/3.0=2...(5) HG2 LYS 66 + HG3 ARG 91 OK 12 99 - 12 - 4046/1.8=2, ~10781=2...(5) HG3 LYS 66 + HG3 ARG 91 OK 12 97 - 12 - 4046/1.8=2, ~10781=2...(5) HG3 LYS 53 - HG3 ARG 91 poor 7 65 - 10 - 4046/1.8=1 HG LEU 64 - HG LEU 38 poor 6 64 - 10 - 2831/2.1=3, ~2847=1 HB3 LEU 64 - HG LEU 38 lone 6 66 - 10 - 2823/2.1=3, ~2815=2 HB3 LEU 64 - HG3 ARG 91 lone 5 99 - 5 - HG LEU 64 - HG3 ARG 91 lone 5 98 - 5 - HG2 LYS 73 - HG3 ARG 91 lone 4 98 - 4 - HB2 ARG 91 - HG13 ILE 52 lone 4 48 - 8 - 4030=2 HG3 LYS 13 - HG3 ARG 91 lone 2 90 - 2 - HG3 LYS 53 - HG13 ILE 52 lone 2 25 - 9 - 3.9/2388=1 HG LEU 57 - HG3 ARG 91 lone 2 77 - 3 - HG3 LYS 13 - HG LEU 38 lone 1 55 - 2 - HG LEU 57 - HG LEU 38 lone 1 45 - 2 - HB3 LEU 64 - HG13 ILE 52 lone 1 47 - 2 - 9477/2.1=1 HG3 LYS 53 - HG LEU 38 lone 1 37 - 3 - HG2 LYS 73 - HG13 ILE 52 lone 1 45 - 2 - HG2 LYS 47 - HG LEU 38 lone 1 65 - 1 - HG2 LYS 66 - HG LEU 38 lone 1 65 - 1 - HG3 LYS 66 - HG LEU 38 lone 1 63 - 1 - HG2 LYS 47 - HG13 ILE 52 lone 1 46 - 2 - HG LEU 57 - HG13 ILE 52 lone 1 31 - 2 - HG LEU 64 - HG13 ILE 52 lone 1 45 - 1 - HG2 LYS 73 - HG LEU 38 lone 0 64 - 1 - HG3 LYS 33 - HG3 ARG 91 lone 0 65 - 1 - HG2 LYS 66 - HG13 ILE 52 lone 0 46 - 1 - HG3 LYS 66 - HG13 ILE 52 lone 0 44 - 1 - HG3 LYS 13 - HG13 ILE 52 lone 0 38 - 1 - HG3 LYS 33 - HG LEU 38 lone 0 37 - 0 - HG3 LYS 33 - HG13 ILE 52 lone 0 25 - 0 - Peak 4056 from cnoeabs.peaks (1.68, 1.45, 26.80 ppm; 3.12 A): 1 out of 66 assignments used, quality = 1.00: * HB3 ARG 91 + HG3 ARG 91 OK 100 100 - 100 - 2.8=100 HD3 LYS 47 - HG3 ARG 91 OK 38 100 - 39 - 3.0/4055=3, 4039/1.8=3...(20) HD2 LYS 47 - HG3 ARG 91 OK 38 100 - 39 - 3.0/4055=3, 4039/1.8=3...(20) HB ILE 52 - HG13 ILE 52 OK 37 37 - 100 - 3.0=100 HG3 LYS 20 - HG3 ARG 91 OK 28 96 - 30 - 897=4, 4047/1.8=2...(11) HB3 LYS 40 - HG LEU 38 OK 26 68 - 39 - 12070/2.1=4, 1796/3.7=3...(21) HD2 LYS 20 - HG3 ARG 91 OK 26 99 - 26 - 4039/1.8=2, 2.8/897=2...(10) HD3 LYS 20 - HG3 ARG 91 OK 25 96 - 26 - 2.8/897=2, 4047/1.8=2...(10) HB3 ARG 91 - HG LEU 38 OK 21 68 - 31 - 1.8/4030=4, 12070/2.1=3...(12) HB3 LYS 53 - HG3 ARG 91 OK 18 100 - 18 - 2410=2, 4047/1.8=1...(6) HB ILE 52 - HG LEU 38 OK 14 53 - 27 - 12070/2.1=3, 3.0/2363=3...(11) HB ILE 52 - HG3 ARG 91 OK 12 87 - 13 - 3.0/2363=1, 3.8/6863=1 HB3 LYS 53 - HG13 ILE 52 OK 12 48 - 25 - 3.0/2388=3, ~9199=3...(11) HG2 PRO 86 - HG3 ARG 91 OK 11 92 - 13 - ~9962=2, ~9888=1, 4028/2.8=1 HG3 LYS 20 - HG LEU 38 OK 11 61 - 18 - 897=2, 12070/2.1=2...(5) HG3 LYS 20 - HG13 ILE 52 poor 10 43 - 23 - 897=3, 2376/2.1=2...(9) HB3 LYS 40 - HG3 ARG 91 lone 9 100 - 9 - HD3 LYS 66 - HG3 ARG 91 poor 9 61 - 15 - 10781/1.8=3, 2.9/4055=2...(4) HD2 LYS 20 - HG LEU 38 poor 8 65 - 13 - 2.8/897=1, 12070/2.1=1 HD2 LYS 20 - HG13 ILE 52 poor 8 46 - 18 - 2.8/897=2, 2376/2.1=1...(7) HD3 LYS 20 - HG LEU 38 poor 8 61 - 13 - 2.8/897=1, 12070/2.1=1 HD3 LYS 20 - HG13 ILE 52 poor 8 43 - 18 - 2.8/897=2, 2376/2.1=1...(7) HB2 LEU 2 - HG13 ILE 52 poor 8 24 - 32 - ~8052=7, 3.1/12039=6...(9) HB3 ARG 91 - HG13 ILE 52 poor 7 48 - 14 - 1.8/4030=2, 2.8/4049=1 HD3 LYS 90 - HG3 ARG 91 lone 7 81 - 8 - 3989/4.8=3 HD2 LYS 73 - HG3 ARG 91 lone 6 77 - 8 - HB3 LYS 40 - HG13 ILE 52 poor 6 48 - 13 - 2376/2.1=1, 2360/1.8=1 HD3 LYS 73 - HG3 ARG 91 lone 5 70 - 8 - HB3 LYS 53 - HG LEU 38 lone 5 67 - 7 - HG LEU 70 - HG LEU 38 poor 4 43 - 10 - ~10278=2 HD3 LYS 47 - HG13 ILE 52 lone 4 48 - 7 - HD2 LYS 47 - HG13 ILE 52 lone 4 48 - 7 - HD2 LYS 73 - HG13 ILE 52 poor 3 31 - 11 - 2360/1.8=1, 2376/2.1=1, ~2360=1 HD2 LYS 12 - HG3 ARG 91 lone 3 65 - 5 - HD3 LYS 12 - HG3 ARG 91 lone 3 65 - 5 - HG12 ILE 15 - HG LEU 38 lone 3 55 - 6 - HG12 ILE 15 - HG3 ARG 91 lone 3 90 - 4 - HD3 LYS 73 - HG13 ILE 52 poor 3 27 - 11 - 2360/1.8=1, 2376/2.1=1, ~2360=1 HD3 LYS 47 - HG LEU 38 lone 3 68 - 4 - HD2 LYS 47 - HG LEU 38 lone 3 68 - 4 - HB2 LEU 2 - HG LEU 38 lone 3 35 - 8 - 3.1/12040=2, 3.1/12039=2 HD2 LYS 24 - HG3 ARG 91 lone 3 84 - 3 - HD2 LYS 13 - HG3 ARG 91 lone 3 65 - 4 - HD3 LYS 24 - HG3 ARG 91 lone 2 81 - 3 - HB2 LEU 2 - HG3 ARG 91 lone 2 61 - 4 - HD3 LYS 12 - HG13 ILE 52 lone 1 25 - 6 - HD2 LYS 12 - HG13 ILE 52 lone 1 25 - 6 - HG LEU 70 - HG3 ARG 91 lone 1 73 - 2 - HD2 LYS 12 - HG LEU 38 lone 1 37 - 3 - HD3 LYS 12 - HG LEU 38 lone 1 37 - 3 - HG2 PRO 86 - HG LEU 38 lone 1 57 - 2 - HG LEU 70 - HG13 ILE 52 lone 1 29 - 3 - ~9544=1 HD2 LYS 73 - HG LEU 38 lone 1 45 - 2 - HG12 ILE 15 - HG13 ILE 52 lone 1 38 - 2 - HD3 LYS 73 - HG LEU 38 lone 1 40 - 2 - HD2 LYS 13 - HG LEU 38 lone 1 37 - 2 - HD2 LYS 24 - HG13 ILE 52 lone 1 35 - 2 - HD3 LYS 90 - HG LEU 38 lone 1 48 - 1 - HD3 LYS 24 - HG13 ILE 52 lone 1 33 - 2 - HD2 LYS 13 - HG13 ILE 52 lone 1 25 - 2 - HD2 LYS 24 - HG LEU 38 lone 0 50 - 1 - HD3 LYS 24 - HG LEU 38 lone 0 48 - 1 - HD3 LYS 66 - HG LEU 38 lone 0 35 - 1 - HG2 PRO 86 - HG13 ILE 52 lone 0 40 - 1 - HD3 LYS 90 - HG13 ILE 52 lone 0 33 - 1 - HD3 LYS 66 - HG13 ILE 52 lone 0 24 - 1 - Peak 4057 from cnoeabs.peaks (1.08, 1.45, 26.80 ppm; 2.58 A): 1 out of 9 assignments used, quality = 1.00: * HG2 ARG 91 + HG3 ARG 91 OK 100 100 - 100 - 1.8=100 HG12 ILE 76 - HG3 ARG 91 OK 31 90 - 34 - 4029/2.8=4, 4066/2.9=4...(14) HG2 LYS 82 - HG3 ARG 91 OK 16 77 - 20 - 4029/2.8=2, 4066/2.9=2...(7) HG2 ARG 91 - HG LEU 38 OK 13 68 - 20 - 4049=3, 2.8/4030=2...(6) HG2 LYS 82 - HG LEU 38 poor 6 45 - 13 - ~9756=2, ~9758=2, ~10942=2 HG2 ARG 91 - HG13 ILE 52 lone 5 48 - 10 - 4049=2 HG12 ILE 76 - HG13 ILE 52 lone 2 38 - 5 - 9667/2.1=1, ~10640=1 HG2 LYS 82 - HG13 ILE 52 lone 2 31 - 5 - HG12 ILE 76 - HG LEU 38 lone 1 55 - 2 - Peak 4058 from cnoeabs.peaks (1.45, 1.45, 26.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 91 + HG3 ARG 91 OK 100 100 - 100 HG LEU 38 + HG LEU 38 OK 63 63 - 100 HG13 ILE 52 + HG13 ILE 52 OK 46 46 - 100 Peak 4059 from cnoeabs.peaks (2.49, 1.45, 26.80 ppm; 4.02 A): 1 out of 21 assignments used, quality = 1.00: * HD2 ARG 91 + HG3 ARG 91 OK 100 100 - 100 - 2.9=100 HG3 GLU 23 - HG3 ARG 91 OK 43 99 - 44 - 4050/1.8=6, 1.8/10460=5...(18) HB2 ASP 87 - HG3 ARG 91 OK 40 90 - 45 - ~10313=7, 4050/1.8=7...(16) HB3 ASP 87 - HG3 ARG 91 OK 40 90 - 45 - ~10313=7, 4050/1.8=7...(16) HD2 ARG 91 - HG LEU 38 OK 26 68 - 39 - 1.8/4060=5, 4067=4...(20) HG3 GLU 23 - HG LEU 38 poor 9 66 - 14 - 4.2/10463=2, 1.8/10460=2...(4) HD2 ARG 91 - HG13 ILE 52 poor 9 48 - 18 - 4067=2, 1.8/4076=2...(5) HB2 ASP 36 - HG3 ARG 91 lone 5 61 - 8 - HB3 ASP 36 - HG3 ARG 91 lone 5 57 - 8 - HB2 ASP 36 - HG LEU 38 poor 4 35 - 13 - 3.0/8802=3, ~8802=2...(4) HB3 ASP 36 - HG LEU 38 poor 4 32 - 13 - 3.0/8802=3, ~8802=2...(4) HG3 GLU 98 - HG3 ARG 91 lone 4 84 - 4 - HG3 GLU 23 - HG13 ILE 52 lone 3 47 - 5 - ~11013=1 HG3 GLU 98 - HG13 ILE 52 lone 2 35 - 5 - ~9177=1 HB2 ASP 87 - HG LEU 38 lone 2 55 - 3 - HB3 ASP 87 - HG LEU 38 lone 2 55 - 3 - HB2 ASP 87 - HG13 ILE 52 lone 1 38 - 2 - HB3 ASP 87 - HG13 ILE 52 lone 1 38 - 2 - HB2 ASP 36 - HG13 ILE 52 lone 1 24 - 3 - HB3 ASP 36 - HG13 ILE 52 lone 1 22 - 3 - HG3 GLU 98 - HG LEU 38 lone 0 50 - 1 - Peak 4060 from cnoeabs.peaks (2.66, 1.45, 26.80 ppm; 3.96 A): 1 out of 9 assignments used, quality = 1.00: * HD3 ARG 91 + HG3 ARG 91 OK 100 100 - 100 - 2.9=100 HB3 ASN 51 - HG3 ARG 91 OK 33 84 - 39 - 4051/1.8=8, 4032/2.8=6...(15) HD2 ARG 30 - HG3 ARG 91 OK 28 90 - 31 - 4051/1.8=6, 4032/2.8=5...(11) HD3 ARG 91 - HG LEU 38 OK 25 68 - 37 - 4076=4, 3.5/4030=3...(18) HD3 ARG 91 - HG13 ILE 52 poor 9 48 - 19 - 4076=2, 1.8/4067=2...(7) HB3 ASN 51 - HG13 ILE 52 poor 8 35 - 23 - 6856/5.1=10, ~10636=4...(6) HB3 ASN 51 - HG LEU 38 lone 3 50 - 6 - 4.6/6863=2 HD2 ARG 30 - HG13 ILE 52 lone 3 38 - 8 - 8722/2.1=2, 6856/5.1=2, ~8723=1 HD2 ARG 30 - HG LEU 38 lone 2 55 - 3 - Peak 4061 from cnoeabs.peaks (8.14, 1.45, 26.80 ppm; 4.56 A): 4 out of 12 assignments used, quality = 0.94: * H TRP 92 + HG3 ARG 91 OK 75 100 - 75 - 7457/2.8=24, 7459/1.8=22...(8) H ASP 87 + HG3 ARG 91 OK 60 99 - 61 - 4052/1.8=12, 4033/2.8=12...(12) H GLY 100 + HG3 ARG 91 OK 28 100 - 28 - 4052/1.8=6, 4033/2.8=5...(7) H TRP 92 + HG LEU 38 OK 12 68 - 18 - 4.3/4030=3, 7460=3...(7) H GLY 100 - HG LEU 38 poor 7 68 - 10 - ~8933=3, 7625/3.7=1 H TRP 92 - HG13 ILE 52 poor 6 48 - 12 - 9983/3.2=3, 7460=3...(5) H HIS 106 - HG3 ARG 91 lone 3 65 - 5 - H ASP 87 - HG LEU 38 lone 3 65 - 5 - H ASP 87 - HG13 ILE 52 lone 3 46 - 6 - 9900/2.1=3 H GLY 100 - HG13 ILE 52 lone 2 48 - 4 - H HIS 106 - HG LEU 38 lone 0 37 - 1 - H HIS 106 - HG13 ILE 52 lone 0 25 - 1 - Peak 4062 from cnoeabs.peaks (7.47, 2.49, 43.24 ppm; 4.94 A): 2 out of 5 assignments used, quality = 0.96: * H ARG 91 + HD2 ARG 91 OK 92 100 - 92 - 6.1=53, 7444/2.9=23...(18) H LYS 47 + HD2 ARG 91 OK 55 100 - 55 - 4025/3.5=11, 4071/1.8=11...(15) HE ARG 46 - HD2 ARG 91 OK 27 100 - 27 - 4044/2.9=6, 4071/1.8=5...(7) HD22 ASN 26 - HD2 ARG 91 OK 14 100 - 13 - 4071/1.8=3, 4044/2.9=3...(5) HE ARG 19 - HD2 ARG 91 lone 6 65 - 9 - 3.6/12291=4 Peak 4063 from cnoeabs.peaks (3.89, 2.49, 43.24 ppm; 5.01 A): 1 out of 8 assignments used, quality = 1.00: * HA ARG 91 + HD2 ARG 91 OK 100 100 - 100 - 4.8=100 HA GLU 35 - HD2 ARG 91 OK 41 100 - 41 - 4019/1.8=7, 4045/2.9=6...(15) HA LEU 38 - HD2 ARG 91 OK 36 81 - 45 - 4072/1.8=5, 4045/2.9=5...(21) HA ALA 89 - HD2 ARG 91 OK 29 84 - 34 - 4.8/9961=7, 12228/3.5=6...(11) HA GLU 43 - HD2 ARG 91 OK 27 99 - 28 - 4019/1.8=4, 4026/3.5=4...(8) HB2 SER 85 - HD2 ARG 91 OK 26 77 - 34 - 1.8/9872=9, 9868=5...(13) HA3 GLY 101 - HD2 ARG 91 OK 12 99 - 12 - 10102/3.5=3, 4072/1.8=2...(4) HB2 SER 102 - HD2 ARG 91 lone 6 98 - 6 - Peak 4064 from cnoeabs.peaks (1.49, 2.49, 43.24 ppm; 3.60 A): 1 out of 11 assignments used, quality = 1.00: * HB2 ARG 91 + HD2 ARG 91 OK 100 100 - 100 - 3.5=100 HG2 LYS 47 - HD2 ARG 91 OK 41 99 - 42 - 4073/1.8=6, 4046/2.9=5...(19) HG2 LYS 66 - HD2 ARG 91 OK 27 99 - 27 - ~10781=5, 4073/1.8=4...(8) HG3 LYS 66 - HD2 ARG 91 OK 26 97 - 27 - ~10781=5, 4073/1.8=4...(8) HG3 LYS 53 - HD2 ARG 91 OK 16 65 - 25 - 4073/1.8=2, 1.8/4067=2...(8) HG LEU 64 - HD2 ARG 91 OK 13 98 - 13 - 4073/1.8=2, 3.0/9962=2...(4) HB3 LEU 64 - HD2 ARG 91 OK 13 99 - 12 - 4073/1.8=2, 1.8/9962=2...(4) HG2 LYS 73 - HD2 ARG 91 lone 9 98 - 9 - 4073/1.8=1, 4046/2.9=1 HG3 LYS 13 - HD2 ARG 91 lone 5 90 - 6 - HG LEU 57 - HD2 ARG 91 lone 5 77 - 6 - HG3 LYS 33 - HD2 ARG 91 lone 1 65 - 1 - Peak 4065 from cnoeabs.peaks (1.68, 2.49, 43.24 ppm; 4.09 A): 3 out of 22 assignments used, quality = 1.00: * HB3 ARG 91 + HD2 ARG 91 OK 100 100 - 100 - 3.5=100 HD3 LYS 47 + HD2 ARG 91 OK 55 100 - 56 - 3.0/4064=5, 4074/1.8=5...(27) HD2 LYS 47 + HD2 ARG 91 OK 55 100 - 56 - 3.0/4064=5, 4074/1.8=5...(27) HG3 LYS 20 - HD2 ARG 91 OK 36 96 - 38 - 1.8/4067=3, 4074/1.8=3...(17) HD2 LYS 20 - HD2 ARG 91 OK 34 99 - 35 - 4039/2.9=3, 4074/1.8=3...(16) HD3 LYS 20 - HD2 ARG 91 OK 33 96 - 35 - 4074/1.8=3, 2.8/4067=3...(16) HB3 LYS 53 - HD2 ARG 91 OK 27 100 - 27 - 4074/1.8=2, 3.0/4064=2...(11) HG2 PRO 86 - HD2 ARG 91 OK 24 92 - 27 - 2.3/9962=5, 2.3/9962=4...(12) HB ILE 52 - HD2 ARG 91 OK 16 87 - 18 - 4074/1.8=1, 3.0/4067=1...(4) HD3 LYS 66 - HD2 ARG 91 OK 15 61 - 24 - 10781/2.9=4, 2.9/4064=4...(9) HB3 LYS 40 - HD2 ARG 91 OK 15 100 - 14 - 4074/1.8=1, 4047/2.9=1 HD3 LYS 90 - HD2 ARG 91 OK 13 81 - 16 - 5.2/9961=4, 3989/6.1=3...(4) HD2 LYS 73 - HD2 ARG 91 poor 9 77 - 12 - 3.0/4064=1 HD3 LYS 73 - HD2 ARG 91 poor 8 70 - 11 - 3.0/4064=1 HD2 LYS 12 - HD2 ARG 91 lone 5 65 - 7 - HD3 LYS 12 - HD2 ARG 91 lone 5 65 - 7 - HD2 LYS 24 - HD2 ARG 91 lone 5 84 - 6 - HG12 ILE 15 - HD2 ARG 91 lone 5 90 - 5 - 3989/6.1=1 HD3 LYS 24 - HD2 ARG 91 lone 5 81 - 6 - HD2 LYS 13 - HD2 ARG 91 lone 4 65 - 6 - HB2 LEU 2 - HD2 ARG 91 lone 3 61 - 5 - HG LEU 70 - HD2 ARG 91 lone 2 73 - 3 - Peak 4066 from cnoeabs.peaks (1.08, 2.49, 43.24 ppm; 3.55 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 91 + HD2 ARG 91 OK 100 100 - 100 - 2.9=100 HG12 ILE 76 + HD2 ARG 91 OK 45 90 - 51 - 4075/1.8=10, 4029/3.5=7...(19) HG2 LYS 82 - HD2 ARG 91 OK 23 77 - 30 - 4075/1.8=5, 4029/3.5=3...(14) Peak 4067 from cnoeabs.peaks (1.45, 2.49, 43.24 ppm; 3.45 A): 1 out of 17 assignments used, quality = 1.00: * HG3 ARG 91 + HD2 ARG 91 OK 100 100 - 100 - 2.9=100 HG13 ILE 76 - HD2 ARG 91 OK 34 73 - 47 - 1.8/4066=9, ~4075=6...(17) HB2 LEU 38 - HD2 ARG 91 OK 33 100 - 33 - 4076/1.8=3, 4049/2.9=3...(14) HG LEU 38 - HD2 ARG 91 OK 27 97 - 28 - 4060/1.8=3, 4059=3...(9) HG2 LYS 20 - HD2 ARG 91 OK 26 99 - 26 - 4076/1.8=3, 4049/2.9=2...(10) HD2 LYS 82 - HD2 ARG 91 OK 24 97 - 25 - 2.9/4066=4, 4076/1.8=3...(11) HD2 LYS 53 - HD2 ARG 91 OK 21 97 - 22 - 4076/1.8=2, ~9216=2...(8) HG2 LYS 53 - HD2 ARG 91 OK 21 90 - 23 - 4076/1.8=2, 1.8/4064=2...(7) HG3 LYS 53 - HD2 ARG 91 OK 14 73 - 19 - 4076/1.8=1, ~4076=1...(6) HG13 ILE 52 - HD2 ARG 91 OK 14 99 - 14 - 4076/1.8=2, 4049/2.9=1 HD2 LYS 40 - HD2 ARG 91 OK 10 87 - 11 - 4076/1.8=1 HD3 LYS 40 - HD2 ARG 91 poor 10 84 - 11 - 4076/1.8=1 QB ALA 22 - HD2 ARG 91 lone 5 70 - 7 - 3.6/6368=3, 4.5/1017=2 HG2 LYS 12 - HD2 ARG 91 lone 4 97 - 4 - HB2 LEU 27 - HD2 ARG 91 lone 4 99 - 4 - HG3 LYS 39 - HD2 ARG 91 lone 2 90 - 2 - HG LEU 29 - HD2 ARG 91 lone 1 70 - 2 - Peak 4068 from cnoeabs.peaks (2.49, 2.49, 43.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 91 + HD2 ARG 91 OK 100 100 - 100 Peak 4069 from cnoeabs.peaks (2.66, 2.49, 43.24 ppm; 2.53 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 91 + HD2 ARG 91 OK 100 100 - 100 - 1.8=100 HB3 ASN 51 - HD2 ARG 91 OK 12 84 - 14 - 4051/2.9=2, 4060/2.9=2...(6) HD2 ARG 30 - HD2 ARG 91 OK 11 90 - 12 - 4051/2.9=2, ~1371=2...(6) Peak 4070 from cnoeabs.peaks (8.14, 2.49, 43.24 ppm; 5.54 A): 3 out of 4 assignments used, quality = 0.97: * H TRP 92 + HD2 ARG 91 OK 78 100 - 78 - 7457/3.5=26, 7459/2.9=24...(9) H ASP 87 + HD2 ARG 91 OK 74 99 - 76 - 4052/2.9=14, 4079/1.8=14...(15) H GLY 100 + HD2 ARG 91 OK 38 100 - 38 - 4079/1.8=7, 4052/2.9=7...(8) H HIS 106 - HD2 ARG 91 lone 5 65 - 7 - Peak 4071 from cnoeabs.peaks (7.47, 2.66, 43.24 ppm; 5.16 A): 2 out of 5 assignments used, quality = 0.97: * H ARG 91 + HD3 ARG 91 OK 93 100 - 93 - 6.1=60, 7444/2.9=24...(16) H LYS 47 + HD3 ARG 91 OK 58 100 - 59 - 4062/1.8=12, 4025/3.5=12...(16) HE ARG 46 - HD3 ARG 91 OK 29 100 - 29 - 4062/1.8=6, 4044/2.9=6...(7) HD22 ASN 26 - HD3 ARG 91 OK 15 100 - 14 - 4062/1.8=3, 4044/2.9=3...(5) HE ARG 19 - HD3 ARG 91 lone 4 65 - 6 - 4062/1.8=1 Peak 4072 from cnoeabs.peaks (3.89, 2.66, 43.24 ppm; 5.15 A): 1 out of 8 assignments used, quality = 1.00: * HA ARG 91 + HD3 ARG 91 OK 100 100 - 100 - 4.8=100 HA GLU 35 - HD3 ARG 91 OK 44 100 - 44 - 4019=8, 4063/1.8=6...(15) HA LEU 38 - HD3 ARG 91 OK 38 81 - 47 - 4063/1.8=5, 4045/2.9=5...(21) HA GLU 43 - HD3 ARG 91 OK 30 99 - 30 - 4019=5, 4026/3.5=4...(9) HA ALA 89 - HD3 ARG 91 OK 26 84 - 31 - 7430/6.1=6, 12228/3.5=6...(10) HB2 SER 85 - HD3 ARG 91 OK 20 77 - 27 - ~9872=7, 9868/1.8=5...(11) HA3 GLY 101 - HD3 ARG 91 OK 13 99 - 13 - 10102/3.5=3, 4063/1.8=2...(4) HB2 SER 102 - HD3 ARG 91 lone 6 98 - 6 - 4063/1.8=1 Peak 4073 from cnoeabs.peaks (1.49, 2.66, 43.24 ppm; 3.54 A): 1 out of 11 assignments used, quality = 1.00: * HB2 ARG 91 + HD3 ARG 91 OK 100 100 - 100 - 3.5=100 HG2 LYS 47 - HD3 ARG 91 OK 40 99 - 41 - 4064/1.8=6, 4046/2.9=5...(18) HG2 LYS 66 - HD3 ARG 91 OK 26 99 - 26 - ~10781=5, 4064/1.8=4...(8) HG3 LYS 66 - HD3 ARG 91 OK 25 97 - 26 - ~10781=5, 4064/1.8=4...(8) HG3 LYS 53 - HD3 ARG 91 OK 16 65 - 24 - 1.8/4076=2, 4064/1.8=2...(8) HB3 LEU 64 - HD3 ARG 91 OK 12 99 - 11 - 4064/1.8=2, ~9962=1...(4) HG LEU 64 - HD3 ARG 91 OK 11 98 - 11 - 4064/1.8=2, 4046/2.9=1...(4) HG2 LYS 73 - HD3 ARG 91 lone 9 98 - 9 - 4064/1.8=1, 4046/2.9=1 HG3 LYS 13 - HD3 ARG 91 lone 5 90 - 6 - HG LEU 57 - HD3 ARG 91 lone 5 77 - 6 - HG3 LYS 33 - HD3 ARG 91 lone 1 65 - 1 - Peak 4074 from cnoeabs.peaks (1.68, 2.66, 43.24 ppm; 4.03 A): 3 out of 22 assignments used, quality = 1.00: * HB3 ARG 91 + HD3 ARG 91 OK 100 100 - 100 - 3.5=100 HD3 LYS 47 + HD3 ARG 91 OK 54 100 - 55 - 3.0/4073=5, 4042=5...(25) HD2 LYS 47 + HD3 ARG 91 OK 54 100 - 55 - 3.0/4073=5, 4042=5...(25) HG3 LYS 20 - HD3 ARG 91 OK 36 96 - 38 - 1.8/4076=3, 897/2.9=3...(17) HD2 LYS 20 - HD3 ARG 91 OK 34 99 - 34 - 4039/2.9=3, 4042=3...(15) HD3 LYS 20 - HD3 ARG 91 OK 32 96 - 34 - 1.8/4042=3, 2.8/4076=3...(16) HB3 LYS 53 - HD3 ARG 91 OK 26 100 - 26 - 3.0/4073=2, 3.0/4076=2...(11) HG2 PRO 86 - HD3 ARG 91 OK 18 92 - 20 - ~9962=4, 4065/1.8=2...(9) HB ILE 52 - HD3 ARG 91 OK 17 87 - 19 - 3.8/6856=2, 3.0/4076=2...(5) HD3 LYS 66 - HD3 ARG 91 OK 14 61 - 23 - 10781/2.9=4, 2.9/4073=4...(8) HB3 LYS 40 - HD3 ARG 91 OK 14 100 - 14 - 4065/1.8=1 HD3 LYS 90 - HD3 ARG 91 poor 10 81 - 12 - 3989/6.1=3, 4015/4.8=1...(4) HD2 LYS 73 - HD3 ARG 91 poor 9 77 - 11 - 3.0/4073=1 HD3 LYS 73 - HD3 ARG 91 poor 8 70 - 11 - 3.0/4073=1 HD2 LYS 12 - HD3 ARG 91 lone 4 65 - 7 - HD3 LYS 12 - HD3 ARG 91 lone 4 65 - 7 - HG12 ILE 15 - HD3 ARG 91 lone 4 90 - 5 - 3989/6.1=1 HD2 LYS 24 - HD3 ARG 91 lone 4 84 - 5 - HD2 LYS 13 - HD3 ARG 91 lone 4 65 - 6 - HD3 LYS 24 - HD3 ARG 91 lone 4 81 - 5 - HB2 LEU 2 - HD3 ARG 91 lone 3 61 - 5 - HG LEU 70 - HD3 ARG 91 lone 2 73 - 3 - Peak 4075 from cnoeabs.peaks (1.08, 2.66, 43.24 ppm; 3.67 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 91 + HD3 ARG 91 OK 100 100 - 100 - 2.9=100 HG12 ILE 76 + HD3 ARG 91 OK 48 90 - 54 - 4066/1.8=10, 4029/3.5=7...(21) HG2 LYS 82 - HD3 ARG 91 OK 25 77 - 32 - 4066/1.8=5, 4029/3.5=4...(15) Peak 4076 from cnoeabs.peaks (1.45, 2.66, 43.24 ppm; 3.40 A): 1 out of 17 assignments used, quality = 1.00: * HG3 ARG 91 + HD3 ARG 91 OK 100 100 - 100 - 2.9=100 HG13 ILE 76 - HD3 ARG 91 OK 33 73 - 45 - 1.8/4075=9, ~4066=6...(16) HB2 LEU 38 - HD3 ARG 91 OK 32 100 - 32 - 4067/1.8=3, 4049/2.9=3...(12) HG LEU 38 - HD3 ARG 91 OK 26 97 - 27 - 4060=4, 4067/1.8=3...(8) HG2 LYS 20 - HD3 ARG 91 OK 25 99 - 25 - 4067/1.8=3, 4049/2.9=2...(9) HD2 LYS 82 - HD3 ARG 91 OK 23 97 - 24 - 2.9/4075=4, 4067/1.8=2...(11) HD2 LYS 53 - HD3 ARG 91 OK 21 97 - 21 - 4067/1.8=2, ~9216=2...(8) HG2 LYS 53 - HD3 ARG 91 OK 20 90 - 23 - 1.8/4073=2, 4067/1.8=2...(7) HG13 ILE 52 - HD3 ARG 91 OK 14 99 - 14 - 4060=1, 4067/1.8=1...(5) HG3 LYS 53 - HD3 ARG 91 OK 13 73 - 18 - 4067/1.8=1, ~4067=1...(5) HD2 LYS 40 - HD3 ARG 91 poor 10 87 - 11 - 4067/1.8=1 HD3 LYS 40 - HD3 ARG 91 poor 9 84 - 11 - HG2 LYS 12 - HD3 ARG 91 lone 4 97 - 4 - HB2 LEU 27 - HD3 ARG 91 lone 4 99 - 4 - HG3 LYS 39 - HD3 ARG 91 lone 2 90 - 2 - QB ALA 22 - HD3 ARG 91 lone 1 70 - 2 - HG LEU 29 - HD3 ARG 91 lone 1 70 - 1 - Peak 4077 from cnoeabs.peaks (2.49, 2.66, 43.24 ppm; 2.61 A): 1 out of 7 assignments used, quality = 1.00: * HD2 ARG 91 + HD3 ARG 91 OK 100 100 - 100 - 1.8=100 HB2 ASP 87 - HD3 ARG 91 OK 15 90 - 17 - 4050/2.9=2, ~10313=2...(7) HB3 ASP 87 - HD3 ARG 91 OK 15 90 - 17 - 4050/2.9=2, ~10313=2...(7) HG3 GLU 23 - HD3 ARG 91 OK 14 99 - 15 - 10459/2.9=2, 4050/2.9=2...(8) HG3 GLU 98 - HD3 ARG 91 lone 1 84 - 2 - HB2 ASP 36 - HD3 ARG 91 lone 1 61 - 2 - HB3 ASP 36 - HD3 ARG 91 lone 1 57 - 2 - Peak 4078 from cnoeabs.peaks (2.66, 2.66, 43.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 91 + HD3 ARG 91 OK 100 100 - 100 Peak 4079 from cnoeabs.peaks (8.14, 2.66, 43.24 ppm; 5.94 A): 3 out of 4 assignments used, quality = 0.97: * H TRP 92 + HD3 ARG 91 OK 80 100 - 80 - 7457/3.5=27, 7459/2.9=26...(8) H ASP 87 + HD3 ARG 91 OK 74 99 - 75 - 4070/1.8=17, 4052/2.9=16...(12) H GLY 100 + HD3 ARG 91 OK 37 100 - 37 - 4070/1.8=9, 4052/2.9=8...(7) H HIS 106 - HD3 ARG 91 lone 5 65 - 7 - 4070/1.8=1 Peak 4080 from cnoeabs.peaks (8.14, 4.82, 58.66 ppm; 5.47 A): 2 out of 4 assignments used, quality = 1.00: * H TRP 92 + HA TRP 92 OK 100 100 - 100 - 2.9=100 H ASP 87 + HA TRP 92 OK 52 99 - 53 - 9897/4.8=10, 4095/3.0=10...(11) H GLY 100 - HA TRP 92 OK 29 100 - 28 - 7482/3.6=6, 4107/3.0=5...(9) H HIS 106 - HA TRP 92 lone 4 65 - 6 - 4.0/4083=1 Peak 4081 from cnoeabs.peaks (4.82, 4.82, 58.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TRP 92 + HA TRP 92 OK 100 100 - 100 Peak 4082 from cnoeabs.peaks (3.10, 4.82, 58.66 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TRP 92 + HA TRP 92 OK 100 100 - 100 - 3.0=100 HB2 PHE 96 - HA TRP 92 OK 38 100 - 38 - 4.1/7546=11, 7484/3.6=9...(9) HD3 ARG 30 - HA TRP 92 lone 3 70 - 4 - Peak 4083 from cnoeabs.peaks (3.19, 4.82, 58.66 ppm; 3.69 A): 1 out of 6 assignments used, quality = 1.00: * HB3 TRP 92 + HA TRP 92 OK 100 100 - 100 - 3.0=100 HD3 ARG 46 - HA TRP 92 OK 24 100 - 24 - 7465/2.9=6, 4098/3.0=5...(9) HB2 HIS 106 - HA TRP 92 lone 4 90 - 4 - HB2 ASP 77 - HA TRP 92 lone 3 84 - 3 - HD3 ARG 19 - HA TRP 92 lone 2 61 - 4 - HD2 ARG 19 - HA TRP 92 lone 2 61 - 4 - Peak 4084 from cnoeabs.peaks (6.87, 4.82, 58.66 ppm; 4.62 A): 2 out of 5 assignments used, quality = 1.00: * HD1 TRP 92 + HA TRP 92 OK 100 100 - 100 - 4.5=100 HD21 ASN 60 + HA TRP 92 OK 49 100 - 49 - 6979=12, 1.7/6985=9...(9) HE21 GLN 72 - HA TRP 92 OK 16 65 - 24 - 4.4/4093=3, 1.7/4085=3...(8) HE1 TYR 41 - HA TRP 92 lone 4 77 - 5 - 7466/2.9=1, 4099/3.0=1 HE2 TYR 41 - HA TRP 92 lone 3 70 - 4 - 7466/2.9=1 Peak 4085 from cnoeabs.peaks (7.43, 4.82, 58.66 ppm; 6.50 A): 2 out of 3 assignments used, quality = 1.00: * HE3 TRP 92 + HA TRP 92 OK 100 100 - 100 - 4.8=100 H ALA 89 + HA TRP 92 OK 91 98 - 93 - ~3905=29, ~3906=23...(19) HE22 GLN 72 - HA TRP 92 OK 39 92 - 42 - 4100/3.0=6, 4112/3.0=6...(12) Peak 4090 from cnoeabs.peaks (8.36, 4.82, 58.66 ppm; 4.01 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 93 + HA TRP 92 OK 100 100 - 100 - 3.6=100 H GLU 95 + HA TRP 92 OK 74 100 - 74 - 7525=36, 4.0/4093=14...(8) H TYR 4 - HA TRP 92 OK 13 100 - 12 - 7472/2.9=3, 4117/3.0=2...(4) Peak 4091 from cnoeabs.peaks (8.36, 4.82, 58.66 ppm; 4.01 A): 2 out of 3 assignments used, quality = 1.00: H ILE 93 + HA TRP 92 OK 100 100 - 100 - 3.6=100 * H GLU 95 + HA TRP 92 OK 74 100 - 74 - 7525=36, 4.0/4093=14...(8) H TYR 4 - HA TRP 92 OK 13 100 - 12 - 7472/2.9=3, 4117/3.0=2...(4) Peak 4092 from cnoeabs.peaks (2.20, 4.82, 58.66 ppm; 4.10 A): 2 out of 10 assignments used, quality = 0.72: * HB2 GLU 95 + HA TRP 92 OK 63 100 - 63 - 4284=25, 1.8/4093=23...(6) HG3 PRO 86 + HA TRP 92 OK 24 94 - 26 - 3846/2.9=6, ~3830=5...(7) HG2 GLU 99 - HA TRP 92 lone 5 70 - 7 - 4.7/4080=2, ~4434=1 HB2 GLU 63 - HA TRP 92 lone 5 97 - 5 - HG2 GLU 98 - HA TRP 92 lone 4 90 - 5 - 7552/7546=1 HB3 GLU 75 - HA TRP 92 lone 3 77 - 3 - HG2 GLU 35 - HA TRP 92 lone 3 96 - 3 - HG3 GLU 35 - HA TRP 92 lone 3 96 - 3 - HG2 MET 1 - HA TRP 92 lone 2 98 - 2 - HG2 GLU 43 - HA TRP 92 lone 2 73 - 2 - Peak 4093 from cnoeabs.peaks (2.16, 4.82, 58.66 ppm; 3.80 A): 2 out of 9 assignments used, quality = 0.57: * HB3 GLU 95 + HA TRP 92 OK 52 100 - 53 - 1.8/4092=18, 4.0/7525=15...(7) HB2 GLN 72 + HA TRP 92 OK 10 99 - 10 - 14641/4.8=3, 4.4/4085=2...(4) HG2 GLU 88 - HA TRP 92 poor 9 70 - 13 - 3.0/12223=3, 3892/4.8=2...(5) HB3 GLU 23 - HA TRP 92 lone 8 99 - 9 - 7540/7525=2, 4288/4284=2...(4) HG2 GLU 104 - HA TRP 92 lone 6 90 - 6 - 4.9/7546=2, 4535/7546=1 HB3 GLU 16 - HA TRP 92 lone 3 97 - 3 - HG2 GLU 75 - HA TRP 92 lone 2 81 - 2 - HG3 GLU 75 - HA TRP 92 lone 2 73 - 2 - HB3 GLN 50 - HA TRP 92 lone 1 73 - 1 - Peak 4094 from cnoeabs.peaks (3.90, 3.10, 29.79 ppm; 5.21 A): 2 out of 8 assignments used, quality = 0.94: * HA ALA 89 + HB2 TRP 92 OK 89 100 - 89 - 3905=43, 3906/1.8=30...(15) HA ARG 91 + HB2 TRP 92 OK 50 84 - 60 - 3.6/7464=35, ~10983=12...(10) HB2 SER 85 - HB2 TRP 92 OK 28 100 - 28 - 9846/4.0=11, 4106/1.8=5...(7) HA3 GLY 101 - HB2 TRP 92 OK 15 96 - 16 - 7478/4.5=3, 7452/4.0=3...(5) HA GLU 35 - HB2 TRP 92 OK 11 81 - 13 - 10698/9357=2, 7456/4.0=2...(5) HB2 SER 102 - HB2 TRP 92 lone 10 97 - 10 - 4106/1.8=3, 7452/4.0=2...(4) HA GLU 63 - HB2 TRP 92 poor 9 84 - 10 - 14630/3.9=2, 4106/1.8=2, ~4092=1 HA GLU 43 - HB2 TRP 92 poor 8 65 - 12 - 7481/4.5=3, 7456/4.0=2...(4) Peak 4095 from cnoeabs.peaks (8.14, 3.10, 29.79 ppm; 4.12 A): 1 out of 4 assignments used, quality = 1.00: * H TRP 92 + HB2 TRP 92 OK 100 100 - 100 - 4.0=100 H ASP 87 - HB2 TRP 92 OK 33 99 - 34 - 4107/1.8=8, 9897/4.2=6...(8) H GLY 100 - HB2 TRP 92 OK 15 100 - 15 - 4107/1.8=4, 7482/4.5=3...(5) H HIS 106 - HB2 TRP 92 lone 2 65 - 3 - Peak 4096 from cnoeabs.peaks (4.82, 3.10, 29.79 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 92 + HB2 TRP 92 OK 100 100 - 100 - 3.0=100 HA ASN 60 - HB2 TRP 92 OK 39 97 - 40 - 4108/1.8=11, 2692/3.9=8...(11) Peak 4097 from cnoeabs.peaks (3.10, 3.10, 29.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 92 + HB2 TRP 92 OK 100 100 - 100 Peak 4098 from cnoeabs.peaks (3.19, 3.10, 29.79 ppm; 3.04 A): 1 out of 6 assignments used, quality = 1.00: * HB3 TRP 92 + HB2 TRP 92 OK 100 100 - 100 - 1.8=100 HD3 ARG 46 - HB2 TRP 92 OK 18 100 - 19 - 4083/3.0=3, 7465/4.0=3...(9) HB2 HIS 106 - HB2 TRP 92 lone 2 90 - 3 - HB2 ASP 77 - HB2 TRP 92 lone 2 84 - 3 - HD3 ARG 19 - HB2 TRP 92 lone 2 61 - 3 - HD2 ARG 19 - HB2 TRP 92 lone 2 61 - 3 - Peak 4099 from cnoeabs.peaks (6.87, 3.10, 29.79 ppm; 4.54 A): 1 out of 5 assignments used, quality = 1.00: * HD1 TRP 92 + HB2 TRP 92 OK 100 100 - 100 - 3.9=100 HD21 ASN 60 - HB2 TRP 92 OK 37 100 - 37 - 4111/1.8=9, 4084/3.0=9...(8) HE21 GLN 72 - HB2 TRP 92 OK 15 65 - 22 - 1.7/4100=5, 4111/1.8=4...(6) HE1 TYR 41 - HB2 TRP 92 lone 6 77 - 8 - 4111/1.8=1, 9342/9357=1...(4) HE2 TYR 41 - HB2 TRP 92 lone 5 70 - 7 - 9342/9357=1, 4111/1.8=1 Peak 4100 from cnoeabs.peaks (7.43, 3.10, 29.79 ppm; 4.83 A): 2 out of 3 assignments used, quality = 1.00: * HE3 TRP 92 + HB2 TRP 92 OK 100 100 - 100 - 4.2=100 H ALA 89 + HB2 TRP 92 OK 76 98 - 77 - 3.0/3905=31, ~3906=16...(14) HE22 GLN 72 - HB2 TRP 92 OK 26 92 - 28 - 4112/1.8=5, 1.7/4099=4...(10) Peak 4105 from cnoeabs.peaks (8.36, 3.10, 29.79 ppm; 5.06 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 93 + HB2 TRP 92 OK 100 100 - 100 - 4.5=100 H GLU 95 + HB2 TRP 92 OK 69 100 - 70 - 7525/3.0=31, 10038=27...(10) H TYR 4 - HB2 TRP 92 OK 19 100 - 18 - 4117/1.8=4, 8120/6.4=3...(5) Peak 4106 from cnoeabs.peaks (3.90, 3.19, 29.79 ppm; 5.04 A): 2 out of 8 assignments used, quality = 0.93: * HA ALA 89 + HB3 TRP 92 OK 88 100 - 88 - 3905/1.8=39, 3906=36...(14) HA ARG 91 + HB3 TRP 92 OK 46 84 - 55 - 3.6/7465=28, ~10983=11...(9) HB2 SER 85 - HB3 TRP 92 OK 26 100 - 26 - 9846/4.0=10, 4094/1.8=5...(6) HA3 GLY 101 - HB3 TRP 92 OK 15 96 - 15 - 7478/4.5=3, 7452/4.0=3...(5) HB2 SER 102 - HB3 TRP 92 OK 13 97 - 13 - 10110/9255=4...(5) HA GLU 35 - HB3 TRP 92 poor 10 81 - 12 - 7456/4.0=2, 4094/1.8=2...(5) HA GLU 63 - HB3 TRP 92 lone 8 84 - 9 - 14630/3.9=2, 4094/1.8=2 HA GLU 43 - HB3 TRP 92 poor 8 65 - 12 - 7481/4.5=3, 7456/4.0=2 Peak 4107 from cnoeabs.peaks (8.14, 3.19, 29.79 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: * H TRP 92 + HB3 TRP 92 OK 100 100 - 100 - 4.0=100 H ASP 87 - HB3 TRP 92 OK 33 99 - 34 - 4095/1.8=8, 9897/4.2=7...(8) H GLY 100 - HB3 TRP 92 OK 15 100 - 15 - 4095/1.8=4, 7482/4.5=3...(5) H HIS 106 - HB3 TRP 92 lone 2 65 - 3 - Peak 4108 from cnoeabs.peaks (4.82, 3.19, 29.79 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 92 + HB3 TRP 92 OK 100 100 - 100 - 3.0=100 HA ASN 60 - HB3 TRP 92 OK 35 97 - 36 - 4096/1.8=10, 2692/3.9=7...(10) Peak 4109 from cnoeabs.peaks (3.10, 3.19, 29.79 ppm; 2.84 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TRP 92 + HB3 TRP 92 OK 100 100 - 100 - 1.8=100 HB2 PHE 96 - HB3 TRP 92 OK 20 100 - 20 - 4082/3.0=4, 7484/4.5=4...(7) HD3 ARG 30 - HB3 TRP 92 lone 2 70 - 3 - Peak 4110 from cnoeabs.peaks (3.19, 3.19, 29.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 92 + HB3 TRP 92 OK 100 100 - 100 Peak 4111 from cnoeabs.peaks (6.87, 3.19, 29.79 ppm; 4.52 A): 1 out of 5 assignments used, quality = 1.00: * HD1 TRP 92 + HB3 TRP 92 OK 100 100 - 100 - 3.9=100 HD21 ASN 60 - HB3 TRP 92 OK 36 100 - 36 - 4099/1.8=9, 4084/3.0=9...(8) HE21 GLN 72 - HB3 TRP 92 OK 14 65 - 22 - 1.7/4112=5, 4099/1.8=4...(6) HE1 TYR 41 - HB3 TRP 92 lone 5 77 - 7 - 4099/1.8=1, 7466/4.0=1 HE2 TYR 41 - HB3 TRP 92 lone 4 70 - 6 - 4099/1.8=1 Peak 4112 from cnoeabs.peaks (7.43, 3.19, 29.79 ppm; 4.60 A): 2 out of 3 assignments used, quality = 1.00: * HE3 TRP 92 + HB3 TRP 92 OK 100 100 - 100 - 4.2=100 H ALA 89 + HB3 TRP 92 OK 70 98 - 72 - 3.0/3906=20, ~3905=20...(14) HE22 GLN 72 - HB3 TRP 92 OK 24 92 - 25 - 4100/1.8=5, 1.7/4111=4...(8) Peak 4117 from cnoeabs.peaks (8.36, 3.19, 29.79 ppm; 4.82 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 93 + HB3 TRP 92 OK 100 100 - 100 - 4.5=100 H GLU 95 + HB3 TRP 92 OK 55 100 - 55 - 7525/3.0=29...(6) H TYR 4 - HB3 TRP 92 OK 16 100 - 15 - 4105/1.8=4, 7472/4.0=3...(5) Peak 4118 from cnoeabs.peaks (8.36, 3.54, 66.22 ppm; 4.10 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 93 + HA ILE 93 OK 100 100 - 100 - 3.0=100 H GLU 95 + HA ILE 93 OK 72 100 - 72 - 7527=21, 7528/3.6=17...(15) H TYR 4 - HA ILE 93 OK 36 100 - 36 - 4138/3.2=6, 4130/3.0=6...(11) Peak 4119 from cnoeabs.peaks (3.54, 3.54, 66.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + HA ILE 93 OK 100 100 - 100 Peak 4120 from cnoeabs.peaks (1.80, 3.54, 66.22 ppm; 4.25 A): 3 out of 7 assignments used, quality = 1.00: * HB ILE 93 + HA ILE 93 OK 100 100 - 100 - 3.0=100 HB2 LYS 90 + HA ILE 93 OK 55 94 - 59 - ~3922=8, ~7479=8...(17) HB2 LEU 42 + HA ILE 93 OK 47 99 - 48 - ~10006=8, 7507/3.6=5...(19) HB2 GLU 88 - HA ILE 93 OK 38 98 - 39 - ~10027=6, ~4129=5...(13) HB2 LYS 39 - HA ILE 93 OK 26 99 - 26 - 4140/3.2=3, 7507/3.6=3...(13) HB2 GLU 104 - HA ILE 93 OK 23 98 - 23 - 4.0/7547=7, 7493/3.0=2...(11) HG3 ARG 46 - HA ILE 93 poor 8 73 - 11 - ~7485=3, 7493/3.0=2, 7507/3.6=1 Peak 4121 from cnoeabs.peaks (0.75, 3.54, 66.22 ppm; 3.03 A): 2 out of 11 assignments used, quality = 0.99: * QG2 ILE 93 + HA ILE 93 OK 94 100 - 94 - 3.2=85, 3.1/4163=17...(26) HG13 ILE 93 + HA ILE 93 OK 79 97 - 81 - 4.0=44, 2.1/4163=21...(24) QD1 ILE 93 - HA ILE 93 OK 42 61 - 68 - 4.2=39, 2.1/4122=9...(18) HG3 ARG 81 - HA ILE 93 OK 22 90 - 24 - 2.9/10008=10, ~10322=3...(6) QD2 LEU 42 - HA ILE 93 OK 12 73 - 17 - ~10006=2, 3.1/4120=2...(7) QD1 LEU 27 - HA ILE 93 OK 11 65 - 16 - 10485/4.0=1, 7497/3.0=1...(4) QG1 VAL 54 - HA ILE 93 lone 8 90 - 8 - ~9227=2, 7494/3.0=1, ~10203=1 HG13 ILE 15 - HA ILE 93 lone 7 99 - 7 - QD1 ILE 15 - HA ILE 93 lone 6 94 - 6 - QD1 LEU 64 - HA ILE 93 lone 6 94 - 6 - QG1 VAL 78 - HA ILE 93 lone 4 99 - 4 - Peak 4122 from cnoeabs.peaks (2.04, 3.54, 66.22 ppm; 3.83 A): 2 out of 9 assignments used, quality = 0.99: * HG12 ILE 93 + HA ILE 93 OK 98 100 - 98 - 4.0=89, 2.1/4163=34...(20) HB3 LYS 94 + HA ILE 93 OK 46 77 - 60 - 4.6/7527=12, 7514/3.6=11...(20) HB2 MET 21 - HA ILE 93 OK 43 84 - 52 - ~10013=7, 4142/3.2=7...(15) HB2 GLN 50 - HA ILE 93 OK 12 81 - 14 - 4134/3.0=2, 7514/3.6=2...(9) HB3 GLU 48 - HA ILE 93 OK 11 92 - 12 - ~10030=4, 4134/3.0=2...(6) HB3 GLU 99 - HA ILE 93 OK 10 100 - 10 - 7495/3.0=2, 4134/3.0=1...(4) HB2 GLU 99 - HA ILE 93 lone 9 98 - 9 - 7495/3.0=1, 4134/3.0=1 HB3 GLU 98 - HA ILE 93 lone 8 98 - 8 - 4142/3.2=1, 7495/3.0=1 HB2 GLU 98 - HA ILE 93 lone 8 97 - 8 - 4142/3.2=1, 7495/3.0=1 Peak 4123 from cnoeabs.peaks (0.74, 3.54, 66.22 ppm; 3.03 A): 2 out of 10 assignments used, quality = 0.98: QG2 ILE 93 + HA ILE 93 OK 91 97 - 94 - 3.2=85, 3.1/4163=17...(26) * HG13 ILE 93 + HA ILE 93 OK 81 100 - 81 - 4.0=44, 2.1/4163=21...(25) HG3 ARG 81 - HA ILE 93 OK 25 99 - 25 - 2.9/10008=10, ~10322=3...(7) QG1 VAL 5 - HA ILE 93 OK 18 70 - 26 - 2.1/8176=12, ~10322=4...(6) QD2 LEU 27 - HA ILE 93 OK 13 81 - 16 - 4135/3.0=2, 1218/4.2=2...(8) QD1 LEU 64 - HA ILE 93 lone 7 100 - 7 - HG13 ILE 15 - HA ILE 93 lone 6 90 - 6 - QG1 VAL 54 - HA ILE 93 lone 5 65 - 8 - ~9227=2, 7494/3.0=1, ~10203=1 QD1 ILE 15 - HA ILE 93 lone 4 73 - 6 - QG1 VAL 78 - HA ILE 93 lone 4 100 - 4 - Peak 4124 from cnoeabs.peaks (0.77, 3.54, 66.22 ppm; 3.21 A): 3 out of 10 assignments used, quality = 0.94: * QD1 ILE 93 + HA ILE 93 OK 79 100 - 80 - 4.2=46, 2.1/4122=10...(21) QG2 ILE 93 + HA ILE 93 OK 61 61 - 100 - 3.2=100 QD1 LEU 27 + HA ILE 93 OK 25 100 - 26 - 10485/4.0=4, 4136/3.0=3...(11) QD2 LEU 42 - HA ILE 93 OK 24 100 - 24 - 1945/3.0=3, ~10006=3...(9) QG1 VAL 54 - HA ILE 93 OK 11 96 - 11 - 7497/3.0=2, ~9227=2...(4) QD1 ILE 15 - HA ILE 93 lone 8 92 - 8 - 4136/3.0=1 HG13 ILE 15 - HA ILE 93 lone 6 77 - 7 - QG2 ILE 52 - HA ILE 93 lone 5 94 - 6 - 10643/4.0=1 QD1 LEU 6 - HA ILE 93 lone 3 100 - 3 - QG2 ILE 8 - HA ILE 93 lone 1 70 - 1 - Peak 4125 from cnoeabs.peaks (8.26, 3.54, 66.22 ppm; 4.43 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 94 + HA ILE 93 OK 100 100 - 100 - 3.6=100 H ALA 71 - HA ILE 93 OK 39 99 - 39 - 4137/3.0=7, 3.0/10998=7...(13) H GLU 23 - HA ILE 93 OK 30 87 - 34 - 3.6/10998=12, 4145/3.2=7...(7) H PHE 45 - HA ILE 93 OK 21 99 - 21 - 7498/3.0=5, 4137/3.0=4...(7) Peak 4126 from cnoeabs.peaks (8.21, 3.54, 66.22 ppm; 4.19 A): 2 out of 4 assignments used, quality = 0.98: * H PHE 96 + HA ILE 93 OK 88 100 - 88 - 7547=38, 4.1/4128=25...(13) H SER 97 + HA ILE 93 OK 84 99 - 85 - 7565=41, 4.2/4128=24...(15) H GLU 104 - HA ILE 93 OK 35 99 - 35 - 7547=12, 7548/3.6=6...(12) H GLU 43 - HA ILE 93 OK 11 61 - 17 - 7522/3.6=4, 4.6/4120=3...(6) Peak 4127 from cnoeabs.peaks (3.10, 3.54, 66.22 ppm; 4.01 A): 2 out of 3 assignments used, quality = 0.93: * HB2 PHE 96 + HA ILE 93 OK 88 100 - 88 - 4325=44, 1.8/4128=36...(15) HB2 TRP 92 + HA ILE 93 OK 35 100 - 35 - 7484/3.0=15, 9987/9262=5...(9) HD3 ARG 30 - HA ILE 93 lone 4 77 - 5 - Peak 4128 from cnoeabs.peaks (3.47, 3.54, 66.22 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.89: * HB3 PHE 96 + HA ILE 93 OK 89 100 - 89 - 4334=47, 1.8/4325=37...(13) Peak 4129 from cnoeabs.peaks (3.67, 1.80, 37.57 ppm; 4.08 A): 3 out of 4 assignments used, quality = 0.87: * HA LYS 90 + HB ILE 93 OK 73 100 - 73 - 10025/3.2=13...(26) HA GLU 88 + HB ILE 93 OK 46 92 - 50 - 10025/3.2=9, 7479/3.9=7...(17) HB THR 80 + HB ILE 93 OK 13 92 - 14 - 10916/8489=3, 7501/4.4=2...(4) HA LEU 14 - HB ILE 93 lone 5 84 - 6 - 7501/4.4=2, 7479/3.9=1 Peak 4130 from cnoeabs.peaks (8.36, 1.80, 37.57 ppm; 3.66 A): 2 out of 3 assignments used, quality = 0.97: * H ILE 93 + HB ILE 93 OK 93 100 - 93 - 3.9=80, 7496/2.1=13...(13) H GLU 95 + HB ILE 93 OK 54 100 - 54 - 7527/3.0=14, 7528/4.4=11...(14) H TYR 4 - HB ILE 93 OK 29 100 - 29 - 4138/2.1=6, 4162/3.2=5...(7) Peak 4131 from cnoeabs.peaks (3.54, 1.80, 37.57 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + HB ILE 93 OK 100 100 - 100 - 3.0=100 Peak 4132 from cnoeabs.peaks (1.80, 1.80, 37.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 93 + HB ILE 93 OK 100 100 - 100 Peak 4133 from cnoeabs.peaks (0.75, 1.80, 37.57 ppm; 2.97 A): 3 out of 11 assignments used, quality = 1.00: * QG2 ILE 93 + HB ILE 93 OK 100 100 - 100 - 2.1=100 HG13 ILE 93 + HB ILE 93 OK 97 97 - 100 - 3.0=100 QD1 ILE 93 + HB ILE 93 OK 53 61 - 86 - 3.2=78, 4163/3.0=7...(12) HG3 ARG 81 - HB ILE 93 OK 23 90 - 25 - ~10008=5, ~10322=4...(12) QD2 LEU 42 - HB ILE 93 OK 18 73 - 25 - 2.1/1937=3, 2.1/1929=3...(7) QD1 LEU 27 - HB ILE 93 OK 13 65 - 19 - 10485/3.0=1, ~10320=1...(9) HG13 ILE 15 - HB ILE 93 lone 9 99 - 9 - QD1 ILE 15 - HB ILE 93 lone 8 94 - 9 - QD1 LEU 64 - HB ILE 93 lone 8 94 - 9 - ~10319=1 QG1 VAL 54 - HB ILE 93 lone 7 90 - 7 - QG1 VAL 78 - HB ILE 93 lone 4 99 - 4 - Peak 4134 from cnoeabs.peaks (2.04, 1.80, 37.57 ppm; 3.78 A): 3 out of 9 assignments used, quality = 1.00: * HG12 ILE 93 + HB ILE 93 OK 100 100 - 100 - 3.0=100 HB2 MET 21 + HB ILE 93 OK 58 84 - 69 - ~10013=10, 3.0/8556=9...(22) HB3 LYS 94 + HB ILE 93 OK 45 77 - 59 - 4.0/4137=12, ~12249=6...(22) HB2 GLN 50 - HB ILE 93 OK 18 81 - 22 - 2.9/10010=3, 4142/2.1=2...(12) HB3 GLU 48 - HB ILE 93 OK 16 92 - 17 - ~10030=5, 4142/2.1=2...(6) HB3 GLU 99 - HB ILE 93 OK 12 100 - 12 - 4142/2.1=2, 7495/3.9=1...(5) HB2 GLU 99 - HB ILE 93 OK 11 98 - 11 - 4142/2.1=1, 7495/3.9=1...(5) HB3 GLU 98 - HB ILE 93 OK 10 98 - 10 - 4142/2.1=2, 4158/3.0=1, ~4142=1 HB2 GLU 98 - HB ILE 93 OK 10 97 - 10 - 4142/2.1=2, 4158/3.0=1, ~4142=1 Peak 4135 from cnoeabs.peaks (0.74, 1.80, 37.57 ppm; 2.97 A): 2 out of 10 assignments used, quality = 1.00: * HG13 ILE 93 + HB ILE 93 OK 100 100 - 100 - 3.0=100 QG2 ILE 93 + HB ILE 93 OK 97 97 - 100 - 2.1=100 HG3 ARG 81 - HB ILE 93 OK 26 99 - 26 - ~10008=5, ~10322=4...(12) QG1 VAL 5 - HB ILE 93 OK 20 70 - 29 - ~8176=7, ~10322=6...(8) QD2 LEU 27 - HB ILE 93 OK 20 81 - 25 - ~10485=2, 1218/3.2=2...(14) QD1 LEU 64 - HB ILE 93 lone 9 100 - 9 - ~10319=1 HG13 ILE 15 - HB ILE 93 lone 8 90 - 8 - QD1 ILE 15 - HB ILE 93 lone 6 73 - 8 - QG1 VAL 78 - HB ILE 93 lone 4 100 - 4 - QG1 VAL 54 - HB ILE 93 lone 4 65 - 6 - Peak 4136 from cnoeabs.peaks (0.77, 1.80, 37.57 ppm; 3.10 A): 2 out of 10 assignments used, quality = 0.98: * QD1 ILE 93 + HB ILE 93 OK 95 100 - 95 - 3.2=88, 4163/3.0=18...(15) QG2 ILE 93 + HB ILE 93 OK 61 61 - 100 - 2.1=100 QD2 LEU 42 - HB ILE 93 OK 33 100 - 33 - 1945=6, 2.1/1937=3...(13) QD1 LEU 27 - HB ILE 93 OK 27 100 - 27 - 10485/3.0=4, 4160/3.0=3...(13) QD1 ILE 15 - HB ILE 93 poor 10 92 - 11 - 4160/3.0=1 QG1 VAL 54 - HB ILE 93 poor 10 96 - 10 - 7497/3.9=2, 4124/3.0=1 QG2 ILE 52 - HB ILE 93 lone 9 94 - 10 - 10643/3.0=1 HG13 ILE 15 - HB ILE 93 lone 7 77 - 10 - QD1 LEU 6 - HB ILE 93 lone 4 100 - 4 - QG2 ILE 8 - HB ILE 93 lone 1 70 - 2 - Peak 4137 from cnoeabs.peaks (8.26, 1.80, 37.57 ppm; 3.89 A): 2 out of 4 assignments used, quality = 0.93: * H LYS 94 + HB ILE 93 OK 90 100 - 90 - 4.4=70, 7510/2.1=16...(16) H ALA 71 + HB ILE 93 OK 33 99 - 33 - 4145/2.1=6, 4125/3.0=5...(10) H GLU 23 - HB ILE 93 OK 21 87 - 24 - 4145/2.1=7, 4169/3.2=5...(6) H PHE 45 - HB ILE 93 OK 20 99 - 20 - 4145/2.1=3, 4169/3.2=3...(5) Peak 4138 from cnoeabs.peaks (8.36, 0.75, 17.00 ppm; 4.42 A): 3 out of 3 assignments used, quality = 1.00: * H ILE 93 + QG2 ILE 93 OK 100 100 - 100 - 4.0=100 H GLU 95 + QG2 ILE 93 OK 75 100 - 76 - 7527/3.2=22, 7528/4.3=16...(18) H TYR 4 + QG2 ILE 93 OK 56 100 - 56 - 4162/3.1=8, 4130/2.1=7...(17) Peak 4139 from cnoeabs.peaks (3.54, 0.75, 17.00 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + QG2 ILE 93 OK 100 100 - 100 - 3.2=100 Peak 4140 from cnoeabs.peaks (1.80, 0.75, 17.00 ppm; 3.43 A): 2 out of 7 assignments used, quality = 1.00: * HB ILE 93 + QG2 ILE 93 OK 100 100 - 100 - 2.1=100 HB2 LYS 90 + QG2 ILE 93 OK 49 94 - 52 - 3.0/10027=8, 2.8/11000=6...(21) HB2 LEU 42 - QG2 ILE 93 OK 38 99 - 38 - 4164/3.1=4, 4120/3.2=3...(18) HB2 GLU 88 - QG2 ILE 93 OK 34 98 - 35 - 3.0/10027=7, ~4129=4...(14) HB2 LYS 39 - QG2 ILE 93 OK 25 99 - 25 - 3.0/10326=3, 3.0/10320=2...(13) HB2 GLU 104 - QG2 ILE 93 OK 14 98 - 14 - 3.0/10319=2, 4120/3.2=1...(5) HG3 ARG 46 - QG2 ILE 93 lone 5 73 - 7 - Peak 4141 from cnoeabs.peaks (0.75, 0.75, 17.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 93 + QG2 ILE 93 OK 100 100 - 100 Peak 4142 from cnoeabs.peaks (2.04, 0.75, 17.00 ppm; 3.58 A): 2 out of 9 assignments used, quality = 1.00: * HG12 ILE 93 + QG2 ILE 93 OK 100 100 - 100 - 3.2=100 HB2 MET 21 + QG2 ILE 93 OK 67 84 - 80 - 1.8/10013=14...(28) HB3 LYS 94 - QG2 ILE 93 OK 44 77 - 57 - 3.0/12249=10, 4.0/7510=8...(23) HB2 GLN 50 - QG2 ILE 93 OK 18 81 - 22 - 2.9/10013=3, 4134/2.1=2...(11) HB3 GLU 48 - QG2 ILE 93 OK 16 92 - 17 - 3.0/10030=6, 4134/2.1=2...(6) HB3 GLU 98 - QG2 ILE 93 OK 13 98 - 13 - 4.0/11021=4, 4134/2.1=1 HB2 GLU 98 - QG2 ILE 93 OK 13 97 - 13 - 4.0/11021=4, 4134/2.1=1 HB3 GLU 99 - QG2 ILE 93 OK 12 100 - 11 - 4134/2.1=1, 7495/4.0=1...(4) HB2 GLU 99 - QG2 ILE 93 OK 11 98 - 11 - 4134/2.1=1 Peak 4143 from cnoeabs.peaks (0.74, 0.75, 17.00 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: QG2 ILE 93 + QG2 ILE 93 OK 97 97 - 100 Reference assignment not found: HG13 ILE 93 - QG2 ILE 93 Peak 4144 from cnoeabs.peaks (0.77, 0.75, 17.00 ppm; diagonal): 1 out of 1 assignment used, quality = 0.61: QG2 ILE 93 + QG2 ILE 93 OK 61 61 - 100 Reference assignment not found: QD1 ILE 93 - QG2 ILE 93 Peak 4145 from cnoeabs.peaks (8.26, 0.75, 17.00 ppm; 4.26 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 94 + QG2 ILE 93 OK 100 100 - 100 - 4.3=98, 4137/2.1=22...(25) H GLU 23 + QG2 ILE 93 OK 51 87 - 59 - 4.7/11002=20...(15) H ALA 71 - QG2 ILE 93 OK 42 99 - 42 - 4137/2.1=8, 4125/3.2=6...(12) H PHE 45 - QG2 ILE 93 OK 24 99 - 24 - 4137/2.1=5, 4169/3.1=4...(5) Peak 4146 from cnoeabs.peaks (8.36, 2.04, 30.82 ppm; 4.42 A): 3 out of 3 assignments used, quality = 1.00: * H ILE 93 + HG12 ILE 93 OK 98 100 - 98 - 4.6=87, ~4163=22...(17) H GLU 95 + HG12 ILE 93 OK 66 100 - 67 - 7527/4.0=19, 4162/2.1=13...(14) H TYR 4 + HG12 ILE 93 OK 45 100 - 45 - 4.4/10999=10, 4162/2.1=9...(9) Peak 4147 from cnoeabs.peaks (3.54, 2.04, 30.82 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + HG12 ILE 93 OK 100 100 - 100 - 4.0=100 Peak 4148 from cnoeabs.peaks (1.80, 2.04, 30.82 ppm; 4.33 A): 3 out of 7 assignments used, quality = 1.00: * HB ILE 93 + HG12 ILE 93 OK 100 100 - 100 - 3.0=100 HB2 LYS 90 + HG12 ILE 93 OK 60 94 - 65 - ~10025=12, 4164/2.1=9...(18) HB2 LEU 42 + HG12 ILE 93 OK 47 99 - 48 - 4164/2.1=7, 4140/3.2=5...(18) HB2 GLU 88 - HG12 ILE 93 OK 41 98 - 42 - ~10025=8, ~10027=6...(12) HB2 LYS 39 - HG12 ILE 93 OK 31 99 - 31 - ~10327=4, 4164/2.1=4...(14) HB2 GLU 104 - HG12 ILE 93 OK 16 98 - 16 - 4164/2.1=2, 4140/3.2=2...(9) HG3 ARG 46 - HG12 ILE 93 lone 6 73 - 9 - 7493/4.6=1 Peak 4149 from cnoeabs.peaks (0.75, 2.04, 30.82 ppm; 3.00 A): 3 out of 11 assignments used, quality = 1.00: HG13 ILE 93 + HG12 ILE 93 OK 97 97 - 100 - 1.8=100 * QG2 ILE 93 + HG12 ILE 93 OK 92 100 - 92 - 3.2=83, 4167/2.1=10...(16) QD1 ILE 93 + HG12 ILE 93 OK 61 61 - 100 - 2.1=100 HG3 ARG 81 - HG12 ILE 93 OK 21 90 - 24 - ~10018=5, 2.9/10017=4...(11) QD1 LEU 27 - HG12 ILE 93 OK 14 65 - 22 - ~1210=2, ~1218=2...(10) QD2 LEU 42 - HG12 ILE 93 OK 13 73 - 18 - 3.1/4148=2, 1945/3.0=2...(10) QD1 LEU 64 - HG12 ILE 93 lone 9 94 - 9 - ~10318=1, ~2832=1 HG13 ILE 15 - HG12 ILE 93 lone 9 99 - 8 - QD1 ILE 15 - HG12 ILE 93 lone 8 94 - 8 - QG1 VAL 54 - HG12 ILE 93 lone 5 90 - 6 - QG1 VAL 78 - HG12 ILE 93 lone 5 99 - 5 - 2.1/10198=1 Peak 4150 from cnoeabs.peaks (2.04, 2.04, 30.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 93 + HG12 ILE 93 OK 100 100 - 100 Peak 4151 from cnoeabs.peaks (0.74, 2.04, 30.82 ppm; 3.00 A): 2 out of 10 assignments used, quality = 1.00: * HG13 ILE 93 + HG12 ILE 93 OK 100 100 - 100 - 1.8=100 QG2 ILE 93 + HG12 ILE 93 OK 89 97 - 92 - 3.2=83, 4167/2.1=11...(16) HG3 ARG 81 - HG12 ILE 93 OK 24 99 - 24 - ~10018=5, 2.9/10017=4...(12) QD2 LEU 27 - HG12 ILE 93 OK 22 81 - 27 - 1218/2.1=3, ~1210=2...(14) QG1 VAL 5 - HG12 ILE 93 OK 19 70 - 27 - 2.1/10017=6, 10198=6...(9) QD1 LEU 64 - HG12 ILE 93 lone 9 100 - 9 - ~10318=1, ~2832=1 HG13 ILE 15 - HG12 ILE 93 lone 7 90 - 8 - QD1 ILE 15 - HG12 ILE 93 lone 5 73 - 7 - QG1 VAL 78 - HG12 ILE 93 lone 5 100 - 5 - 2.1/10198=1 QG1 VAL 54 - HG12 ILE 93 lone 3 65 - 5 - Peak 4152 from cnoeabs.peaks (0.77, 2.04, 30.82 ppm; 3.08 A): 2 out of 10 assignments used, quality = 1.00: * QD1 ILE 93 + HG12 ILE 93 OK 100 100 - 100 - 2.1=100 QG2 ILE 93 + HG12 ILE 93 OK 58 61 - 95 - 3.2=90, ~4163=9...(13) QD1 LEU 27 - HG12 ILE 93 OK 31 100 - 31 - 4160/1.8=4, ~1210=3...(16) QD2 LEU 42 - HG12 ILE 93 OK 24 100 - 24 - 1945/3.0=3, 4160/1.8=3...(14) QG2 ILE 52 - HG12 ILE 93 OK 11 94 - 11 - 3.1/9177=2, 10643=2...(4) QD1 ILE 15 - HG12 ILE 93 lone 9 92 - 10 - 4160/1.8=1 QG1 VAL 54 - HG12 ILE 93 lone 8 96 - 8 - 4160/1.8=1, 7497/4.6=1 HG13 ILE 15 - HG12 ILE 93 lone 7 77 - 9 - 4160/1.8=1 QD1 LEU 6 - HG12 ILE 93 lone 4 100 - 4 - QG2 ILE 8 - HG12 ILE 93 lone 1 70 - 2 - Peak 4153 from cnoeabs.peaks (8.26, 2.04, 30.82 ppm; 6.49 A): 2 out of 4 assignments used, quality = 0.97: * H LYS 94 + HG12 ILE 93 OK 93 100 - 93 - 4137/3.0=28, 7498/4.6=27...(23) H ALA 71 + HG12 ILE 93 OK 54 99 - 55 - 4137/3.0=10, 4169/2.1=10...(12) H GLU 23 - HG12 ILE 93 OK 45 87 - 52 - 4169/2.1=12, 4145/3.2=11...(10) H PHE 45 - HG12 ILE 93 OK 36 99 - 36 - 4169/2.1=7, 4137/3.0=6...(6) Peak 4154 from cnoeabs.peaks (8.36, 0.74, 30.82 ppm; 4.83 A): 3 out of 3 assignments used, quality = 1.00: * H ILE 93 + HG13 ILE 93 OK 100 100 - 100 - 4.6=100 H GLU 95 + HG13 ILE 93 OK 71 100 - 71 - 7527/4.0=23, 4162/2.1=14...(12) H TYR 4 + HG13 ILE 93 OK 56 100 - 56 - 4162/2.1=10, 4146/1.8=10...(16) Peak 4155 from cnoeabs.peaks (3.54, 0.74, 30.82 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + HG13 ILE 93 OK 100 100 - 100 - 4.0=100 Peak 4156 from cnoeabs.peaks (1.80, 0.74, 30.82 ppm; 4.79 A): 4 out of 7 assignments used, quality = 1.00: * HB ILE 93 + HG13 ILE 93 OK 100 100 - 100 - 3.0=100 HB2 LYS 90 + HG13 ILE 93 OK 69 94 - 73 - ~10025=15, ~4129=11...(19) HB2 LEU 42 + HG13 ILE 93 OK 52 99 - 53 - 4164/2.1=7, 4148/1.8=7...(19) HB2 GLU 88 + HG13 ILE 93 OK 48 98 - 49 - ~10025=10, ~10027=8...(13) HB2 LYS 39 - HG13 ILE 93 OK 36 99 - 37 - ~10327=5, 4148/1.8=5...(16) HB2 GLU 104 - HG13 ILE 93 OK 19 98 - 19 - 4120/4.0=2, 4148/1.8=2...(10) HG3 ARG 46 - HG13 ILE 93 poor 8 73 - 10 - 7493/4.6=1 Peak 4157 from cnoeabs.peaks (0.75, 0.74, 30.82 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: HG13 ILE 93 + HG13 ILE 93 OK 97 97 - 100 Reference assignment not found: QG2 ILE 93 - HG13 ILE 93 Peak 4158 from cnoeabs.peaks (2.04, 0.74, 30.82 ppm; 3.64 A): 2 out of 9 assignments used, quality = 1.00: * HG12 ILE 93 + HG13 ILE 93 OK 100 100 - 100 - 1.8=100 HB2 MET 21 + HG13 ILE 93 OK 60 84 - 72 - 3.0/8558=10, 4166/2.1=9...(27) HB3 LYS 94 - HG13 ILE 93 OK 39 77 - 51 - 4.0/7510=7, 4166/2.1=5...(20) HB2 GLN 50 - HG13 ILE 93 OK 18 81 - 22 - 4166/2.1=2, 2.9/9569=2...(12) HB3 GLU 48 - HG13 ILE 93 OK 14 92 - 16 - ~10030=4, ~9039=2...(6) HB3 GLU 98 - HG13 ILE 93 OK 11 98 - 11 - 4.0/11021=2, 4142/3.2=1...(4) HB2 GLU 98 - HG13 ILE 93 OK 11 97 - 11 - 4.0/11021=2, 4142/3.2=1...(4) HB3 GLU 99 - HG13 ILE 93 OK 10 100 - 10 - 4166/2.1=1, 4134/3.0=1 HB2 GLU 99 - HG13 ILE 93 lone 9 98 - 9 - 4166/2.1=1, 4134/3.0=1 Peak 4159 from cnoeabs.peaks (0.74, 0.74, 30.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 93 + HG13 ILE 93 OK 100 100 - 100 Peak 4160 from cnoeabs.peaks (0.77, 0.74, 30.82 ppm; 3.21 A): 2 out of 10 assignments used, quality = 1.00: * QD1 ILE 93 + HG13 ILE 93 OK 100 100 - 100 - 2.1=100 QG2 ILE 93 + HG13 ILE 93 OK 61 61 - 100 - 3.2=100 QD1 LEU 27 - HG13 ILE 93 OK 38 100 - 38 - 4152/1.8=4, 1225=3...(18) QD2 LEU 42 - HG13 ILE 93 OK 24 100 - 24 - 1945/3.0=3, 4152/1.8=3...(13) QD1 ILE 15 - HG13 ILE 93 OK 12 92 - 13 - 4152/1.8=1, 4136/3.0=1 QG1 VAL 54 - HG13 ILE 93 poor 10 96 - 10 - 7497/4.6=1, 4152/1.8=1 QG2 ILE 52 - HG13 ILE 93 poor 10 94 - 10 - 10643/1.8=2 HG13 ILE 15 - HG13 ILE 93 poor 9 77 - 12 - 4152/1.8=1 QD1 LEU 6 - HG13 ILE 93 lone 4 100 - 4 - QG2 ILE 8 - HG13 ILE 93 lone 1 70 - 2 - Peak 4162 from cnoeabs.peaks (8.36, 0.77, 14.14 ppm; 4.11 A): 3 out of 3 assignments used, quality = 0.98: * H ILE 93 + QD1 ILE 93 OK 91 100 - 91 - 5.0=55, 3.0/4163=32...(17) H GLU 95 + QD1 ILE 93 OK 63 100 - 63 - 7527/4.2=16, 4146/2.1=10...(15) H TYR 4 + QD1 ILE 93 OK 45 100 - 45 - 8133=7, 4146/2.1=7...(10) Peak 4163 from cnoeabs.peaks (3.54, 0.77, 14.14 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.97: * HA ILE 93 + QD1 ILE 93 OK 97 100 - 97 - 4.2=84, 4122/2.1=14...(24) Peak 4164 from cnoeabs.peaks (1.80, 0.77, 14.14 ppm; 3.38 A): 2 out of 7 assignments used, quality = 1.00: * HB ILE 93 + QD1 ILE 93 OK 100 100 - 100 - 3.2=100 HB2 LYS 90 + QD1 ILE 93 OK 49 94 - 52 - 3.0/10025=12, 4140/3.1=5...(20) HB2 LEU 42 - QD1 ILE 93 OK 39 99 - 39 - 1916=4, 4140/3.1=4...(20) HB2 GLU 88 - QD1 ILE 93 OK 32 98 - 32 - 3.0/10025=8, ~10027=4...(11) HB2 LYS 39 - QD1 ILE 93 OK 23 99 - 23 - 3.0/10327=4, 4140/3.1=2...(7) HB2 GLU 104 - QD1 ILE 93 OK 12 98 - 12 - 4140/3.1=1, 4148/2.1=1...(5) HG3 ARG 46 - QD1 ILE 93 lone 4 73 - 5 - Peak 4165 from cnoeabs.peaks (0.75, 0.77, 14.14 ppm; diagonal): 1 out of 1 assignment used, quality = 0.61: QD1 ILE 93 + QD1 ILE 93 OK 61 61 - 100 Reference assignment not found: QG2 ILE 93 - QD1 ILE 93 Peak 4166 from cnoeabs.peaks (2.04, 0.77, 14.14 ppm; 2.99 A): 2 out of 9 assignments used, quality = 1.00: * HG12 ILE 93 + QD1 ILE 93 OK 100 100 - 100 - 2.1=100 HB2 MET 21 + QD1 ILE 93 OK 49 84 - 58 - 4.6/11004=7, 3.0/10024=6...(27) HB3 LYS 94 - QD1 ILE 93 OK 27 77 - 35 - 4.0/4169=4, 2.9/10321=4...(19) HB2 GLN 50 - QD1 ILE 93 OK 11 81 - 14 - 4158/2.1=1, 2.9/10996=1...(6) HB3 GLU 48 - QD1 ILE 93 OK 10 92 - 11 - ~10030=2, 1.8/9039=2, 4158/2.1=1 HB3 GLU 99 - QD1 ILE 93 lone 7 100 - 7 - HB2 GLU 99 - QD1 ILE 93 lone 7 98 - 7 - HB3 GLU 98 - QD1 ILE 93 lone 6 98 - 6 - HB2 GLU 98 - QD1 ILE 93 lone 6 97 - 6 - Peak 4167 from cnoeabs.peaks (0.74, 0.77, 14.14 ppm; 2.40 A): 2 out of 10 assignments used, quality = 1.00: * HG13 ILE 93 + QD1 ILE 93 OK 100 100 - 100 - 2.1=100 QG2 ILE 93 + QD1 ILE 93 OK 66 97 - 68 - 3.1=46, 3.2/4163=9...(14) QD2 LEU 27 - QD1 ILE 93 OK 20 81 - 25 - 1218=4, 2.1/1210=3...(10) HG3 ARG 81 - QD1 ILE 93 OK 13 99 - 13 - ~10018=2, 4151/2.1=2...(6) QG1 VAL 5 - QD1 ILE 93 OK 11 70 - 16 - 10198/2.1=3, ~10017=3...(5) QD1 LEU 64 - QD1 ILE 93 lone 6 100 - 6 - 3.1/10318=1 HG13 ILE 15 - QD1 ILE 93 lone 6 90 - 7 - QD1 ILE 15 - QD1 ILE 93 lone 5 73 - 6 - QG1 VAL 54 - QD1 ILE 93 lone 4 65 - 6 - QG1 VAL 78 - QD1 ILE 93 lone 3 100 - 3 - Peak 4168 from cnoeabs.peaks (0.77, 0.77, 14.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 93 + QD1 ILE 93 OK 100 100 - 100 Peak 4169 from cnoeabs.peaks (8.26, 0.77, 14.14 ppm; 4.65 A): 3 out of 4 assignments used, quality = 0.97: * H LYS 94 + QD1 ILE 93 OK 90 100 - 90 - 3.6/4163=35, 4137/3.2=21...(25) H GLU 23 + QD1 ILE 93 OK 49 87 - 57 - 4.7/11004=20...(12) H ALA 71 + QD1 ILE 93 OK 41 99 - 41 - 4137/3.2=7, 4145/3.1=7...(11) H PHE 45 - QD1 ILE 93 OK 30 99 - 30 - 4137/3.2=5, 4145/3.1=4...(8) Peak 4170 from cnoeabs.peaks (8.26, 3.87, 59.89 ppm; 3.69 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 94 + HA LYS 94 OK 100 100 - 100 - 3.0=100 H ALA 71 + HA LYS 94 OK 47 99 - 48 - 4197/3.0=7, 4.1/4175=6...(15) H PHE 45 - HA LYS 94 OK 33 99 - 33 - 3.6/4182=6, 4197/3.0=4...(11) H GLU 23 - HA LYS 94 OK 18 87 - 21 - 7528/3.6=3, 4197/3.0=3...(8) Peak 4171 from cnoeabs.peaks (3.87, 3.87, 59.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 94 + HA LYS 94 OK 100 100 - 100 Peak 4172 from cnoeabs.peaks (1.92, 3.87, 59.89 ppm; 3.42 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 94 + HA LYS 94 OK 100 100 - 100 - 3.0=100 HB3 LYS 47 + HA LYS 94 OK 52 100 - 52 - 4186=7, 3.0/4176=7...(20) HB2 GLU 43 - HA LYS 94 OK 27 73 - 37 - 1.8/1969=5, 1961=4...(17) HB3 ARG 19 - HA LYS 94 OK 15 97 - 16 - 7513/3.0=2, 4199/3.0=2...(8) HB3 LYS 20 - HA LYS 94 OK 14 87 - 16 - 7513/3.0=2, 4199/3.0=1...(7) HB2 LYS 13 - HA LYS 94 OK 13 98 - 13 - 3.0/8392=1, 4199/3.0=1 HB3 LYS 13 - HA LYS 94 OK 12 96 - 12 - 3.0/8392=1, 4199/3.0=1 HB VAL 32 - HA LYS 94 poor 8 65 - 12 - 2.1/10162=3, 2.1/8934=3 HB2 GLU 17 - HA LYS 94 poor 7 61 - 11 - 1.8/4173=2 HB2 LYS 33 - HA LYS 94 lone 6 99 - 6 - HB3 LYS 33 - HA LYS 94 lone 6 97 - 6 - HB2 MET 1 - HA LYS 94 lone 3 61 - 5 - Peak 4173 from cnoeabs.peaks (2.02, 3.87, 59.89 ppm; 3.64 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LYS 94 + HA LYS 94 OK 100 100 - 100 - 3.0=100 HG12 ILE 93 + HA LYS 94 OK 47 77 - 62 - 3.2/12249=10, 7514/3.0=8...(21) HB2 GLU 62 - HA LYS 94 OK 25 97 - 26 - 4222/3.7=4, 4211/3.7=4...(9) HB2 GLN 50 - HA LYS 94 OK 21 100 - 21 - 7514/3.0=3, 4211/3.7=2...(12) HB2 GLU 35 - HA LYS 94 OK 17 77 - 21 - 7514/3.0=2, ~4196=2...(12) HB3 GLU 17 - HA LYS 94 OK 11 73 - 14 - 4211/3.7=1, 4222/3.7=1...(7) HB3 GLU 99 - HA LYS 94 lone 6 77 - 8 - 7531/3.6=2, 4.7/7625=1 Peak 4174 from cnoeabs.peaks (1.34, 3.87, 59.89 ppm; 3.70 A): 1 out of 10 assignments used, quality = 0.99: * HG2 LYS 94 + HA LYS 94 OK 99 100 - 99 - 3.7=96, 1.8/4175=19...(26) QB ALA 25 - HA LYS 94 OK 42 100 - 43 - 10334=18, 10476/3.0=6...(11) HB3 LEU 27 - HA LYS 94 OK 33 99 - 34 - ~10485=4, 3.0/4177=3...(14) QB ALA 67 - HA LYS 94 OK 31 100 - 31 - 2983=4, 4201/3.0=3...(14) HG3 LYS 68 - HA LYS 94 OK 26 92 - 28 - 1.8/4176=3, 4201/3.0=3...(14) HG2 LYS 39 - HA LYS 94 OK 23 98 - 23 - 12072/3.0=3, 3.0/4176=2...(11) QB ALA 89 - HA LYS 94 OK 23 100 - 23 - 9939/3.6=5, 7515/3.0=3...(8) HB3 LEU 2 - HA LYS 94 OK 20 98 - 20 - 4201/3.0=2, ~8057=2...(11) HG LEU 14 - HA LYS 94 lone 6 90 - 7 - HB2 LYS 82 - HA LYS 94 lone 6 99 - 6 - Peak 4175 from cnoeabs.peaks (1.38, 3.87, 59.89 ppm; 3.56 A): 2 out of 4 assignments used, quality = 0.98: * HG3 LYS 94 + HA LYS 94 OK 96 100 - 96 - 3.7=86, 1.8/4209=14...(23) HB2 LEU 70 + HA LYS 94 OK 53 87 - 61 - 7516/3.0=7, 4202/3.0=6...(23) HB3 ARG 30 - HA LYS 94 OK 34 92 - 37 - 4202/3.0=6, 4213/3.7=5...(11) HG12 ILE 8 - HA LYS 94 OK 10 65 - 16 - 4.1/11008=4, 2.1/8306=2 Peak 4176 from cnoeabs.peaks (1.62, 3.87, 59.89 ppm; 3.90 A): 2 out of 5 assignments used, quality = 0.97: * HD2 LYS 94 + HA LYS 94 OK 93 100 - 93 - 4.7=56, 4235/3.7=19...(34) HG3 LYS 47 + HA LYS 94 OK 60 100 - 60 - 4203/3.0=10, 4225/3.7=8...(21) HG2 LYS 68 - HA LYS 94 OK 19 65 - 30 - 4203/3.0=3, 1.8/4174=3...(15) HD3 LYS 39 - HA LYS 94 OK 15 70 - 22 - 3.0/4174=2, 4203/3.0=2...(11) HB ILE 76 - HA LYS 94 poor 8 57 - 13 - 3.2/9668=2, ~10887=2...(5) Peak 4177 from cnoeabs.peaks (1.60, 3.87, 59.89 ppm; 3.89 A): 2 out of 13 assignments used, quality = 0.95: * HD3 LYS 94 + HA LYS 94 OK 92 100 - 92 - 4.7=55, 3.0/4175=16...(34) HB2 ARG 30 + HA LYS 94 OK 40 99 - 40 - 1.8/4175=7, 1323/3.7=7...(11) HG LEU 27 - HA LYS 94 OK 38 100 - 38 - ~10485=6, 4204/3.0=4...(16) HD2 LYS 66 - HA LYS 94 OK 23 100 - 23 - 4204/3.0=3, 4215/3.7=2...(7) HG3 LYS 12 - HA LYS 94 OK 16 99 - 16 - 427=2, 1.8/416=2...(6) HG2 ARG 19 - HA LYS 94 OK 15 84 - 18 - 3.0/4172=2, 811/3.0=2...(7) HG3 LYS 73 - HA LYS 94 OK 14 100 - 14 - 7535/3.6=2, 427=1...(4) HG3 LYS 90 - HA LYS 94 OK 12 81 - 15 - ~10310=3, 7518/3.0=2...(7) HB2 LEU 103 - HA LYS 94 OK 10 84 - 12 - 4.3/4181=3, 7535/3.6=1 HB3 LEU 29 - HA LYS 94 lone 9 100 - 9 - 7518/3.0=1 HG2 LYS 24 - HA LYS 94 lone 6 87 - 7 - 7518/3.0=1 HB2 ARG 79 - HA LYS 94 lone 5 100 - 5 - HG LEU 103 - HA LYS 94 lone 5 73 - 7 - Peak 4178 from cnoeabs.peaks (2.92, 3.87, 59.89 ppm; 6.50 A): 6 out of 9 assignments used, quality = 1.00: * HE2 LYS 94 + HA LYS 94 OK 100 100 - 100 - 6.0=100 HE3 LYS 94 + HA LYS 94 OK 94 94 - 100 - 6.0=100 HE3 LYS 20 + HA LYS 94 OK 64 97 - 66 - 4205/3.0=7, 4227/3.7=6...(28) HE2 LYS 20 + HA LYS 94 OK 63 96 - 66 - 4205/3.0=7, 4227/3.7=6...(28) HE2 LYS 68 + HA LYS 94 OK 55 92 - 60 - 4205/3.0=6, 4227/3.7=5...(22) HE3 LYS 68 + HA LYS 94 OK 53 87 - 61 - 4205/3.0=5, 4227/3.7=5...(24) HE3 LYS 66 - HA LYS 94 OK 20 61 - 33 - 2.9/4177=4, ~4204=3...(16) HB2 ASN 10 - HA LYS 94 OK 12 96 - 13 - 8355/11008=2...(3) HE3 LYS 90 - HA LYS 94 OK 12 73 - 16 - 7519/3.0=3, 3.8/4177=2...(6) Peak 4179 from cnoeabs.peaks (2.91, 3.87, 59.89 ppm; 6.50 A): 6 out of 10 assignments used, quality = 1.00: * HE3 LYS 94 + HA LYS 94 OK 100 100 - 100 - 6.0=100 HE2 LYS 94 + HA LYS 94 OK 94 94 - 100 - 6.0=100 HE2 LYS 20 + HA LYS 94 OK 65 100 - 65 - 4206/3.0=6, 4228/3.7=6...(28) HE3 LYS 20 + HA LYS 94 OK 65 100 - 65 - 4206/3.0=6, 4228/3.7=6...(28) HE3 LYS 68 + HA LYS 94 OK 63 100 - 63 - 4206/3.0=6, 4228/3.7=6...(24) HE2 LYS 68 + HA LYS 94 OK 61 100 - 61 - 4206/3.0=6, 4228/3.7=5...(22) HE3 LYS 66 - HA LYS 94 OK 33 92 - 36 - 2.9/4177=4, ~4204=3...(16) HE2 LYS 66 - HA LYS 94 OK 27 73 - 37 - 2.9/4177=4, ~4204=3...(19) HB2 ASN 60 - HA LYS 94 poor 7 61 - 12 - ~7504=8 HB2 ASN 10 - HA LYS 94 lone 7 70 - 10 - 7519/3.0=1, 8355/11008=1 Peak 4180 from cnoeabs.peaks (8.36, 3.87, 59.89 ppm; 4.49 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 95 + HA LYS 94 OK 100 100 - 100 - 3.6=100 H ILE 93 + HA LYS 94 OK 70 100 - 70 - 7498/3.0=23, 4207/3.0=12...(15) H TYR 4 - HA LYS 94 OK 36 100 - 36 - 7521/3.0=6, 4207/3.0=6...(10) Peak 4181 from cnoeabs.peaks (8.22, 3.87, 59.89 ppm; 4.17 A): 3 out of 3 assignments used, quality = 0.91: * H SER 97 + HA LYS 94 OK 71 100 - 71 - 7566=22, 4.1/4182=21...(11) H PHE 96 + HA LYS 94 OK 58 99 - 59 - 7548/3.0=19, 7544/3.6=15...(9) H GLU 104 + HA LYS 94 OK 22 100 - 22 - 7548/3.0=7, 7544/3.6=6...(5) Peak 4182 from cnoeabs.peaks (3.95, 3.87, 59.89 ppm; 3.59 A): 2 out of 2 assignments used, quality = 0.64: * HB2 SER 97 + HA LYS 94 OK 56 100 - 56 - 4349=23, 1.8/4183=21...(9) HA GLU 44 + HA LYS 94 OK 18 84 - 21 - 3.0/6700=4, 3.6/4170=4...(5) Peak 4183 from cnoeabs.peaks (3.98, 3.87, 59.89 ppm; 3.99 A): 2 out of 5 assignments used, quality = 0.67: * HB3 SER 97 + HA LYS 94 OK 63 100 - 63 - 1.8/4182=32, 4355=22...(8) HA GLU 69 + HA LYS 94 OK 11 90 - 12 - 10806/3.0=4, 3.6/7140=3 HD2 PRO 86 - HA LYS 94 lone 9 97 - 9 - 9892/3.0=1, ~11007=1 HD3 PRO 86 - HA LYS 94 lone 8 96 - 9 - 9892/3.0=1, ~11007=1 HA GLU 75 - HA LYS 94 lone 1 70 - 2 - Peak 4184 from cnoeabs.peaks (3.89, 1.92, 32.23 ppm; 3.75 A): 8 out of 16 assignments used, quality = 0.92: HA ARG 91 + HB3 LYS 47 OK 47 92 - 52 - 4022=6, 1959/1.8=5...(23) HA GLU 43 + HB2 LYS 94 OK 40 99 - 40 - 4196/1.8=10, 7502/4.0=6...(15) * HA ARG 91 + HB2 LYS 94 OK 28 100 - 28 - 4196/1.8=7, 7502/4.0=6...(7) HA3 GLY 101 + HB2 LYS 94 OK 24 99 - 24 - 4196/1.8=6, 11029/4.0=5...(10) HA GLU 35 + HB2 LYS 94 OK 23 100 - 23 - 4196/1.8=6, 7502/4.0=3...(5) HA GLU 43 + HB3 LYS 47 OK 19 89 - 21 - 3.6/2156=4, 6757/4.0=3...(5) HA ALA 89 + HB2 LYS 94 OK 18 84 - 21 - 4196/1.8=4, 7502/4.0=3...(8) HA GLU 35 + HB3 LYS 47 OK 10 92 - 11 - 6757/4.0=1, 4022=1, 1959/1.8=1 HA3 GLY 101 - HB3 LYS 47 lone 8 89 - 9 - ~10099=2, 6757/4.0=2 HA LEU 38 - HB2 LYS 94 lone 6 81 - 7 - 4196/1.8=2, 7502/4.0=1 HB2 SER 85 - HB2 LYS 94 lone 5 77 - 7 - 3.0/9866=2 HA ALA 89 - HB3 LYS 47 lone 5 72 - 6 - HA LEU 38 - HB3 LYS 47 lone 3 69 - 5 - 6757/4.0=1 HB2 SER 85 - HB3 LYS 47 lone 3 65 - 4 - 3.0/9866=2 HB2 SER 102 - HB2 LYS 94 lone 2 98 - 2 - HB2 SER 102 - HB3 LYS 47 lone 1 88 - 1 - Peak 4185 from cnoeabs.peaks (8.26, 1.92, 32.23 ppm; 3.53 A): 3 out of 8 assignments used, quality = 0.96: * H LYS 94 + HB2 LYS 94 OK 89 100 - 89 - 4.0=67, 7514/1.8=20...(18) H ALA 71 + HB2 LYS 94 OK 37 99 - 37 - 4197/1.8=8, 4170/3.0=6...(10) H LYS 94 + HB3 LYS 47 OK 36 92 - 40 - 7513=9, 7517/3.0=6...(11) H PHE 45 - HB2 LYS 94 OK 25 99 - 25 - 4197/1.8=5, 4170/3.0=4...(9) H PHE 45 - HB3 LYS 47 OK 22 90 - 25 - 3.6/2000=9, 6759/4.0=6...(6) H GLU 23 - HB2 LYS 94 OK 16 87 - 19 - 4197/1.8=4, 4208/2.9=3...(8) H ALA 71 - HB3 LYS 47 poor 9 90 - 10 - 6759/4.0=2 H GLU 23 - HB3 LYS 47 lone 7 75 - 9 - 6364/3.0=2, 10457/1.8=1 Peak 4186 from cnoeabs.peaks (3.87, 1.92, 32.23 ppm; 3.45 A): 2 out of 18 assignments used, quality = 1.00: * HA LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 3.0=100 HA LYS 94 + HB3 LYS 47 OK 49 92 - 54 - 4172=10, 4176/3.0=7...(20) HA ALA 67 - HB2 LYS 94 OK 26 87 - 31 - 4198/1.8=4, 2979/2.9=4...(15) HA LYS 40 - HB2 LYS 94 OK 21 100 - 21 - 4198/1.8=3, 1780=3...(8) HA GLU 43 - HB2 LYS 94 OK 20 70 - 29 - 4198/1.8=3, 7502/4.0=2...(16) HA2 GLY 101 - HB2 LYS 94 OK 17 100 - 17 - ~4196=3, 4198/1.8=3...(8) HA2 GLY 100 - HB2 LYS 94 OK 13 100 - 13 - 4198/1.8=2, 4209/2.9=2...(7) HA LYS 12 - HB2 LYS 94 OK 11 90 - 12 - 4198/1.8=2, 4209/2.9=1...(5) HA LYS 40 - HB3 LYS 47 OK 11 92 - 12 - 10622/4.7=2, 4.8/2145=1, 1780=1 HB3 SER 49 - HB2 LYS 94 poor 10 94 - 10 - 4198/1.8=2, ~9052=1...(4) HA LEU 38 - HB2 LYS 94 lone 9 96 - 10 - 4198/1.8=2, 4209/2.9=1 HA GLU 43 - HB3 LYS 47 poor 7 58 - 13 - 3.6/2156=3, 6757/4.0=2...(4) HB3 SER 49 - HB3 LYS 47 lone 6 82 - 7 - 9080/4.7=4, ~9062=1 HA2 GLY 101 - HB3 LYS 47 lone 5 92 - 6 - ~10099=2 HA LYS 12 - HB3 LYS 47 lone 4 78 - 6 - 3.6/6174=2 HA LEU 38 - HB3 LYS 47 lone 4 84 - 4 - HA2 GLY 100 - HB3 LYS 47 lone 3 92 - 3 - HA ALA 67 - HB3 LYS 47 lone 3 75 - 4 - Peak 4187 from cnoeabs.peaks (1.92, 1.92, 32.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 94 + HB2 LYS 94 OK 100 100 - 100 HB3 LYS 47 + HB3 LYS 47 OK 91 91 - 100 Peak 4188 from cnoeabs.peaks (2.02, 1.92, 32.23 ppm; 2.40 A): 1 out of 14 assignments used, quality = 1.00: * HB3 LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 1.8=100 HB3 LYS 94 - HB3 LYS 47 OK 34 92 - 37 - 4199=9, 4203/3.0=4...(18) HG12 ILE 93 - HB2 LYS 94 OK 16 77 - 21 - 4173/3.0=2, 7514/4.0=2...(12) HB2 GLU 62 - HB2 LYS 94 OK 15 97 - 16 - 4222/2.9=2, 4211/2.9=2...(6) HB2 GLN 50 - HB2 LYS 94 lone 9 100 - 9 - 4173/3.0=1 HB2 GLU 35 - HB2 LYS 94 lone 6 77 - 8 - 3.0/4184=1 HB3 GLU 17 - HB2 LYS 94 lone 6 73 - 8 - HB3 GLU 99 - HB2 LYS 94 lone 2 77 - 2 - HB2 GLU 35 - HB3 LYS 47 lone 2 65 - 2 - HG12 ILE 93 - HB3 LYS 47 lone 1 65 - 2 - HB2 GLU 62 - HB3 LYS 47 lone 1 86 - 1 - HB2 GLN 50 - HB3 LYS 47 lone 1 92 - 1 - HB3 GLU 17 - HB3 LYS 47 lone 1 62 - 2 - HB3 GLU 99 - HB3 LYS 47 lone 0 65 - 1 - Peak 4189 from cnoeabs.peaks (1.34, 1.92, 32.23 ppm; 3.59 A): 2 out of 20 assignments used, quality = 1.00: * HG2 LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 2.9=100 HG2 LYS 94 + HB3 LYS 47 OK 59 92 - 64 - 4214/3.0=9, 1.8/4190=8...(26) HB3 LEU 27 - HB2 LYS 94 OK 39 99 - 40 - ~10485=5, 4201/1.8=4...(20) QB ALA 67 - HB2 LYS 94 OK 36 100 - 36 - 4201/1.8=4, 2983/3.0=4...(19) QB ALA 25 - HB2 LYS 94 OK 34 100 - 34 - 10334/3.0=10, 8622/3.5=7...(7) HG3 LYS 68 - HB2 LYS 94 OK 32 92 - 35 - 4201/1.8=4, 4234/3.5=3...(17) HB3 LEU 2 - HB2 LYS 94 OK 25 98 - 26 - ~8057=3, 4201/1.8=3...(14) QB ALA 89 - HB2 LYS 94 OK 23 100 - 23 - 9939/4.6=4, 4201/1.8=2...(11) HG2 LYS 39 - HB2 LYS 94 OK 22 98 - 22 - 12072/1.8=3, 4174/3.0=2...(8) QB ALA 25 - HB3 LYS 47 OK 15 92 - 17 - 8622/3.0=3, ~6396=2...(6) HB2 LYS 82 - HB2 LYS 94 lone 7 99 - 7 - HG LEU 14 - HB2 LYS 94 lone 6 90 - 7 - QB ALA 89 - HB3 LYS 47 lone 6 92 - 6 - HB3 LEU 2 - HB3 LYS 47 lone 4 88 - 5 - HG3 LYS 68 - HB3 LYS 47 lone 4 80 - 5 - HG2 LYS 39 - HB3 LYS 47 lone 4 88 - 4 - QB ALA 67 - HB3 LYS 47 lone 3 91 - 4 - HB3 LEU 27 - HB3 LYS 47 lone 3 89 - 3 - HG LEU 14 - HB3 LYS 47 lone 2 78 - 3 - HB2 LYS 82 - HB3 LYS 47 lone 1 90 - 2 - Peak 4190 from cnoeabs.peaks (1.38, 1.92, 32.23 ppm; 3.55 A): 3 out of 8 assignments used, quality = 1.00: * HG3 LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 2.9=100 HG3 LYS 94 + HB3 LYS 47 OK 58 92 - 63 - 4225/3.0=9, 4221=9...(26) HB3 ARG 30 + HB2 LYS 94 OK 47 92 - 51 - 4202/1.8=8, 4246/3.5=6...(20) HB2 LEU 70 - HB2 LYS 94 OK 44 87 - 51 - 4202/1.8=8, 4175/3.0=7...(21) HG12 ILE 8 - HB2 LYS 94 poor 9 65 - 13 - 4202/1.8=2, 4175/3.0=1, ~8306=1 HB2 LEU 70 - HB3 LYS 47 lone 6 75 - 8 - HB3 ARG 30 - HB3 LYS 47 lone 4 80 - 5 - HG12 ILE 8 - HB3 LYS 47 lone 2 55 - 3 - Peak 4191 from cnoeabs.peaks (1.62, 1.92, 32.23 ppm; 3.09 A): 4 out of 10 assignments used, quality = 1.00: HG3 LYS 47 + HB3 LYS 47 OK 91 91 - 100 - 3.0=100 * HD2 LYS 94 + HB2 LYS 94 OK 90 100 - 90 - 3.5=70, 4235/2.9=16...(28) HG3 LYS 47 + HB2 LYS 94 OK 59 100 - 60 - 2171=9, 4203/1.8=9...(28) HD2 LYS 94 + HB3 LYS 47 OK 53 92 - 58 - 2139/1.8=9, 4232=7...(26) HG2 LYS 68 - HB2 LYS 94 OK 17 65 - 27 - 4203/1.8=3, 4214/2.9=2...(13) HD3 LYS 39 - HB2 LYS 94 OK 11 70 - 15 - 4203/1.8=2, 4214/2.9=2...(6) HB ILE 76 - HB2 LYS 94 lone 4 57 - 7 - 2.1/9654=1 HB ILE 76 - HB3 LYS 47 lone 2 47 - 5 - 2.1/9654=1, ~10352=1 HG2 LYS 68 - HB3 LYS 47 lone 2 55 - 4 - HD3 LYS 39 - HB3 LYS 47 lone 2 58 - 3 - Peak 4192 from cnoeabs.peaks (1.60, 1.92, 32.23 ppm; 3.24 A): 2 out of 26 assignments used, quality = 0.96: * HD3 LYS 94 + HB2 LYS 94 OK 92 100 - 92 - 3.5=81, ~4235=9...(27) HD3 LYS 94 + HB3 LYS 47 OK 50 92 - 55 - 4243=7, 4247/3.0=7...(20) HB2 ARG 30 - HB2 LYS 94 OK 41 99 - 42 - 1323/2.9=6, 1.8/4190=5...(17) HG LEU 27 - HB2 LYS 94 OK 34 100 - 34 - ~10485=5, 4204/1.8=4...(15) HG3 LYS 73 - HB3 LYS 47 OK 27 92 - 30 - 3275/3.0=2, 1.8/2150=2...(12) HG2 LYS 24 - HB3 LYS 47 OK 22 75 - 30 - 2.9/2148=2, 2.9/2148=2...(12) HD2 LYS 66 - HB2 LYS 94 OK 22 100 - 22 - 4204/1.8=3, 4226/2.9=2...(6) HG2 ARG 19 - HB2 LYS 94 OK 18 84 - 21 - 1.8/820=2, 811=2...(7) HG3 LYS 12 - HB2 LYS 94 OK 10 99 - 10 - 4204/1.8=1, 4177/3.0=1 HG3 LYS 90 - HB2 LYS 94 poor 10 81 - 12 - ~10310=2, 4204/1.8=1, 7518/4.0=1 HG3 LYS 73 - HB2 LYS 94 lone 9 100 - 9 - 4204/1.8=1 HB3 LEU 29 - HB2 LYS 94 lone 6 100 - 6 - HB2 LEU 103 - HB2 LYS 94 lone 6 84 - 6 - HG2 LYS 24 - HB2 LYS 94 lone 5 87 - 5 - HD2 LYS 66 - HB3 LYS 47 lone 5 91 - 5 - HG3 LYS 12 - HB3 LYS 47 lone 5 90 - 5 - HB2 ARG 79 - HB2 LYS 94 lone 4 100 - 4 - HG LEU 103 - HB2 LYS 94 lone 4 73 - 5 - HG2 ARG 19 - HB3 LYS 47 lone 4 72 - 5 - HB2 ARG 30 - HB3 LYS 47 lone 3 89 - 3 - HG LEU 27 - HB3 LYS 47 lone 3 92 - 3 - HG3 LYS 90 - HB3 LYS 47 lone 3 69 - 4 - HB3 LEU 29 - HB3 LYS 47 lone 1 91 - 1 - HB2 ARG 79 - HB3 LYS 47 lone 1 91 - 1 - HB2 LEU 103 - HB3 LYS 47 lone 1 72 - 1 - HG LEU 103 - HB3 LYS 47 lone 1 62 - 1 - Peak 4193 from cnoeabs.peaks (2.92, 1.92, 32.23 ppm; 4.15 A): 7 out of 18 assignments used, quality = 1.00: * HE2 LYS 94 + HB2 LYS 94 OK 94 100 - 94 - 4.8=66, 4238/3.5=11...(32) HE3 LYS 94 + HB2 LYS 94 OK 87 94 - 93 - 4.8=66, 3.0/4191=11...(28) HE3 LYS 20 + HB2 LYS 94 OK 59 97 - 61 - 4205/1.8=6, 4227/2.9=4...(36) HE2 LYS 20 + HB2 LYS 94 OK 59 96 - 62 - 4205/1.8=6, 4227/2.9=4...(35) HE2 LYS 68 + HB2 LYS 94 OK 48 92 - 52 - 4205/1.8=5, ~4206=4...(31) HE2 LYS 94 + HB3 LYS 47 OK 47 92 - 52 - 3.0/4232=8, 3.0/4243=7...(17) HE3 LYS 68 + HB2 LYS 94 OK 47 87 - 55 - 4205/1.8=5, 4227/2.9=3...(30) HE3 LYS 94 - HB3 LYS 47 OK 42 82 - 51 - 3.0/4232=8, 3.0/4243=7...(16) HE3 LYS 20 - HB3 LYS 47 OK 22 86 - 25 - 3.6/896=2, 3.6/885=1...(6) HE2 LYS 20 - HB3 LYS 47 OK 21 84 - 25 - 3.6/896=2, 3.6/885=1...(6) HE3 LYS 66 - HB2 LYS 94 OK 16 61 - 25 - 2.9/4192=2, ~4204=2...(12) HB2 ASN 10 - HB3 LYS 47 lone 9 84 - 10 - 356/4.7=5, 3.5/2156=1 HE3 LYS 90 - HB2 LYS 94 lone 6 73 - 9 - 7519/4.0=1 HB2 ASN 10 - HB2 LYS 94 lone 4 96 - 4 - HE2 LYS 68 - HB3 LYS 47 lone 4 80 - 5 - HE3 LYS 68 - HB3 LYS 47 lone 3 75 - 5 - HE3 LYS 66 - HB3 LYS 47 lone 3 51 - 5 - HE3 LYS 90 - HB3 LYS 47 lone 2 62 - 3 - Peak 4194 from cnoeabs.peaks (2.91, 1.92, 32.23 ppm; 4.15 A): 7 out of 20 assignments used, quality = 1.00: * HE3 LYS 94 + HB2 LYS 94 OK 93 100 - 93 - 4.8=66, 3.0/4191=11...(28) HE2 LYS 94 + HB2 LYS 94 OK 88 94 - 93 - 4.8=66, 3.0/4191=11...(32) HE2 LYS 20 + HB2 LYS 94 OK 61 100 - 61 - 4206/1.8=6, ~4205=4...(35) HE3 LYS 20 + HB2 LYS 94 OK 60 100 - 61 - 4206/1.8=5, ~4205=4...(36) HE3 LYS 68 + HB2 LYS 94 OK 55 100 - 56 - 4206/1.8=5, 4228/2.9=4...(30) HE2 LYS 68 + HB2 LYS 94 OK 53 100 - 53 - 4206/1.8=5, ~4206=4...(31) HE3 LYS 94 + HB3 LYS 47 OK 47 92 - 51 - 3.0/4232=8, 3.0/4243=7...(16) HE2 LYS 94 - HB3 LYS 47 OK 42 82 - 52 - 3.0/4232=8, 3.0/4243=7...(17) HE3 LYS 66 - HB2 LYS 94 OK 24 92 - 27 - 2.9/4192=2, 4206/1.8=2...(13) HE2 LYS 20 - HB3 LYS 47 OK 23 92 - 25 - 3.6/896=2, 3.6/885=1...(6) HE3 LYS 20 - HB3 LYS 47 OK 23 91 - 25 - 3.6/896=2, 3.6/885=1...(5) HE2 LYS 66 - HB2 LYS 94 OK 22 73 - 29 - 2.9/4192=2, ~4204=2...(14) HE3 LYS 66 - HB3 LYS 47 lone 5 80 - 6 - HB2 ASN 10 - HB3 LYS 47 lone 5 58 - 8 - 356/4.7=3, 3.5/2156=1 HE3 LYS 68 - HB3 LYS 47 lone 5 91 - 5 - HE2 LYS 68 - HB3 LYS 47 lone 4 92 - 5 - HE2 LYS 66 - HB3 LYS 47 lone 3 62 - 5 - HB2 ASN 10 - HB2 LYS 94 lone 2 70 - 3 - HB2 ASN 60 - HB2 LYS 94 lone 1 61 - 2 - HB2 ASN 60 - HB3 LYS 47 lone 1 51 - 1 - Peak 4195 from cnoeabs.peaks (8.36, 1.92, 32.23 ppm; 4.01 A): 3 out of 6 assignments used, quality = 0.96: * H GLU 95 + HB2 LYS 94 OK 87 100 - 87 - 4.6=65, 4207/1.8=20...(9) H ILE 93 + HB2 LYS 94 OK 54 100 - 54 - 7498/4.0=15, 4207/1.8=13...(10) H GLU 95 + HB3 LYS 47 OK 34 92 - 37 - 7530=9, 7534/3.0=7...(8) H TYR 4 - HB2 LYS 94 OK 27 100 - 27 - 4207/1.8=6, 4180/3.0=5...(7) H ILE 93 - HB3 LYS 47 OK 12 91 - 14 - 4.6/7513=4, 7480/4.0=3 H TYR 4 - HB3 LYS 47 lone 4 92 - 4 - Peak 4196 from cnoeabs.peaks (3.89, 2.02, 32.23 ppm; 3.81 A): 5 out of 8 assignments used, quality = 0.77: HA GLU 43 + HB3 LYS 94 OK 38 99 - 38 - 4184/1.8=6, 7502/4.0=6...(13) * HA ARG 91 + HB3 LYS 94 OK 27 100 - 27 - 7502/4.0=6, 4184/1.8=4...(7) HA GLU 35 + HB3 LYS 94 OK 23 100 - 22 - 4184/1.8=4, 4023=4...(4) HA3 GLY 101 + HB3 LYS 94 OK 23 99 - 23 - 11029/4.0=5, 4184/1.8=4...(10) HA ALA 89 + HB3 LYS 94 OK 16 84 - 19 - 7502/4.0=3, 7524/4.6=3...(7) HA LEU 38 - HB3 LYS 94 lone 6 81 - 8 - 7502/4.0=1 HB2 SER 85 - HB3 LYS 94 lone 4 77 - 5 - ~9866=2 HB2 SER 102 - HB3 LYS 94 lone 2 98 - 2 - Peak 4197 from cnoeabs.peaks (8.26, 2.02, 32.23 ppm; 3.52 A): 2 out of 4 assignments used, quality = 0.94: * H LYS 94 + HB3 LYS 94 OK 90 100 - 90 - 4.0=66, 7513/1.8=19...(22) H ALA 71 + HB3 LYS 94 OK 36 99 - 37 - 4170/3.0=6, 7159/2.9=6...(10) H PHE 45 - HB3 LYS 94 OK 21 99 - 21 - 4170/3.0=4, 4185/1.8=4...(7) H GLU 23 - HB3 LYS 94 OK 16 87 - 18 - 4208/2.9=3, 4219/2.9=3...(7) Peak 4198 from cnoeabs.peaks (3.87, 2.02, 32.23 ppm; 3.56 A): 1 out of 9 assignments used, quality = 1.00: * HA LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 3.0=100 HA ALA 67 - HB3 LYS 94 OK 28 87 - 32 - 2979/2.9=4, 4209/2.9=4...(16) HA LYS 40 - HB3 LYS 94 OK 22 100 - 21 - 1780/1.8=4, 4209/2.9=2...(7) HA GLU 43 - HB3 LYS 94 OK 20 70 - 29 - 7502/4.0=3, 4186/1.8=2...(16) HA2 GLY 101 - HB3 LYS 94 OK 18 100 - 18 - ~4184=2, 4220/2.9=2...(10) HA2 GLY 100 - HB3 LYS 94 OK 14 100 - 14 - 4209/2.9=2, 4220/2.9=2...(9) HB3 SER 49 - HB3 LYS 94 OK 12 94 - 13 - 4.3/6813=2, 3.0/9052=2...(5) HA LYS 12 - HB3 LYS 94 OK 11 90 - 13 - 4209/2.9=1, 4220/2.9=1...(5) HA LEU 38 - HB3 LYS 94 OK 10 96 - 11 - 4209/2.9=1, 4220/2.9=1...(4) Peak 4199 from cnoeabs.peaks (1.92, 2.02, 32.23 ppm; 2.50 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 1.8=100 HB3 LYS 47 - HB3 LYS 94 OK 40 100 - 40 - 4188=9, 3.0/4203=4...(21) HB2 GLU 43 - HB3 LYS 94 OK 12 73 - 17 - 3.0/4196=3, 4172/3.0=1...(5) HB3 ARG 19 - HB3 LYS 94 lone 9 97 - 10 - HB3 LYS 20 - HB3 LYS 94 lone 9 87 - 10 - 4243/3.5=1, 4232/3.5=1 HB2 LYS 13 - HB3 LYS 94 lone 7 98 - 7 - HB3 LYS 13 - HB3 LYS 94 lone 6 96 - 7 - HB2 GLU 17 - HB3 LYS 94 lone 5 61 - 8 - HB VAL 32 - HB3 LYS 94 lone 4 65 - 6 - HB2 LYS 33 - HB3 LYS 94 lone 4 99 - 4 - HB3 LYS 33 - HB3 LYS 94 lone 4 97 - 4 - HB2 MET 1 - HB3 LYS 94 lone 1 61 - 2 - Peak 4200 from cnoeabs.peaks (2.02, 2.02, 32.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 94 + HB3 LYS 94 OK 100 100 - 100 Peak 4201 from cnoeabs.peaks (1.34, 2.02, 32.23 ppm; 3.64 A): 1 out of 10 assignments used, quality = 1.00: * HG2 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 2.9=100 HB3 LEU 27 - HB3 LYS 94 OK 41 99 - 42 - 3.1/10485=7, 3.0/4204=4...(20) QB ALA 67 - HB3 LYS 94 OK 35 100 - 36 - 2.1/4198=4, 2983/3.0=4...(19) QB ALA 25 - HB3 LYS 94 OK 35 100 - 35 - 10334/3.0=11, 8622/3.5=8...(7) HG3 LYS 68 - HB3 LYS 94 OK 35 92 - 38 - 1.8/4203=4, 4234/3.5=3...(19) HB3 LEU 2 - HB3 LYS 94 OK 27 98 - 28 - 3.1/8057=5, 3.1/8053=2...(14) HG2 LYS 39 - HB3 LYS 94 OK 25 98 - 25 - 12072=3, 4174/3.0=2...(9) QB ALA 89 - HB3 LYS 94 OK 23 100 - 23 - 9939/4.6=4, 2.1/4196=4...(11) HB2 LYS 82 - HB3 LYS 94 lone 6 99 - 6 - HG LEU 14 - HB3 LYS 94 lone 6 90 - 6 - Peak 4202 from cnoeabs.peaks (1.38, 2.02, 32.23 ppm; 3.78 A): 3 out of 4 assignments used, quality = 1.00: * HG3 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 2.9=100 HB3 ARG 30 + HB3 LYS 94 OK 51 92 - 56 - 4246/3.5=7, 4190/1.8=7...(22) HB2 LEU 70 + HB3 LYS 94 OK 49 87 - 57 - 4175/3.0=8, 4190/1.8=7...(22) HG12 ILE 8 - HB3 LYS 94 poor 10 65 - 14 - 4175/3.0=2, 4190/1.8=1...(4) Peak 4203 from cnoeabs.peaks (1.62, 2.02, 32.23 ppm; 3.60 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 3.5=100 HG3 LYS 47 + HB3 LYS 94 OK 66 100 - 67 - 4225/2.9=9, 4214/2.9=9...(31) HG2 LYS 68 - HB3 LYS 94 OK 22 65 - 34 - 1.8/4201=4, 4214/2.9=3...(15) HD3 LYS 39 - HB3 LYS 94 OK 13 70 - 19 - 4214/2.9=2, 3.0/12072=2...(8) HB ILE 76 - HB3 LYS 94 lone 6 57 - 10 - ~9654=1 Peak 4204 from cnoeabs.peaks (1.60, 2.02, 32.23 ppm; 3.62 A): 2 out of 13 assignments used, quality = 1.00: * HD3 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 3.5=100 HB2 ARG 30 + HB3 LYS 94 OK 49 99 - 50 - 1.8/4202=8, 1323/2.9=7...(18) HG LEU 27 - HB3 LYS 94 OK 41 100 - 42 - 2.1/10485=7, 4215/2.9=4...(21) HD2 LYS 66 - HB3 LYS 94 OK 26 100 - 26 - 4226/2.9=2, 4215/2.9=2...(11) HG2 ARG 19 - HB3 LYS 94 OK 17 84 - 20 - 811/1.8=2, ~820=2...(7) HG3 LYS 90 - HB3 LYS 94 OK 13 81 - 16 - 1.8/10310=4, 7518/4.0=1...(6) HG3 LYS 12 - HB3 LYS 94 OK 13 99 - 13 - 4177/3.0=1, 4215/2.9=1...(5) HG3 LYS 73 - HB3 LYS 94 OK 11 100 - 11 - 4177/3.0=1, 7535/4.6=1 HB3 LEU 29 - HB3 LYS 94 lone 8 100 - 8 - HB2 LEU 103 - HB3 LYS 94 lone 7 84 - 8 - HB2 ARG 79 - HB3 LYS 94 lone 6 100 - 6 - HG2 LYS 24 - HB3 LYS 94 lone 6 87 - 6 - HG LEU 103 - HB3 LYS 94 lone 5 73 - 7 - Peak 4205 from cnoeabs.peaks (2.92, 2.02, 32.23 ppm; 3.72 A): 4 out of 9 assignments used, quality = 0.99: * HE2 LYS 94 + HB3 LYS 94 OK 87 100 - 87 - 4.8=47, 4238/3.5=9...(36) HE3 LYS 94 + HB3 LYS 94 OK 81 94 - 86 - 4.8=47, 4238/3.5=9...(33) HE3 LYS 20 + HB3 LYS 94 OK 51 97 - 52 - 4255=3, 4227/2.9=3...(30) HE2 LYS 20 + HB3 LYS 94 OK 50 96 - 52 - 4227/2.9=3, 4238/3.5=3...(31) HE2 LYS 68 - HB3 LYS 94 OK 41 92 - 45 - 4227/2.9=3, 4216/2.9=3...(24) HE3 LYS 68 - HB3 LYS 94 OK 41 87 - 47 - 4227/2.9=3, 3.6/4203=3...(24) HE3 LYS 66 - HB3 LYS 94 OK 13 61 - 20 - 2.9/4204=3, 4250/3.5=1...(6) HE3 LYS 90 - HB3 LYS 94 poor 7 73 - 10 - 3.8/10310=3, 7519/4.0=1 HB2 ASN 10 - HB3 LYS 94 lone 3 96 - 3 - Peak 4206 from cnoeabs.peaks (2.91, 2.02, 32.23 ppm; 3.72 A): 6 out of 10 assignments used, quality = 1.00: * HE3 LYS 94 + HB3 LYS 94 OK 86 100 - 86 - 4.8=47, 4239/3.5=9...(33) HE2 LYS 94 + HB3 LYS 94 OK 81 94 - 87 - 4.8=47, 4239/3.5=8...(36) HE2 LYS 20 + HB3 LYS 94 OK 52 100 - 52 - 4266=3, 4228/2.9=3...(31) HE3 LYS 20 + HB3 LYS 94 OK 51 100 - 52 - 4228/2.9=3, 4266=3...(30) HE3 LYS 68 + HB3 LYS 94 OK 48 100 - 48 - 4228/2.9=3, 4266=3...(24) HE2 LYS 68 + HB3 LYS 94 OK 45 100 - 45 - 4228/2.9=3, 4266=3...(24) HE3 LYS 66 - HB3 LYS 94 OK 20 92 - 21 - 2.9/4204=3, 4250/3.5=1...(7) HE2 LYS 66 - HB3 LYS 94 OK 17 73 - 24 - 2.9/4204=3, 4250/3.5=1...(6) HB2 ASN 10 - HB3 LYS 94 lone 2 70 - 3 - HB2 ASN 60 - HB3 LYS 94 lone 1 61 - 2 - Peak 4207 from cnoeabs.peaks (8.36, 2.02, 32.23 ppm; 3.86 A): 3 out of 3 assignments used, quality = 0.95: * H GLU 95 + HB3 LYS 94 OK 84 100 - 84 - 4.6=58, 7530/1.8=19...(9) H ILE 93 + HB3 LYS 94 OK 56 100 - 56 - 7498/4.0=14, 4195/1.8=9...(15) H TYR 4 + HB3 LYS 94 OK 26 100 - 26 - 4195/1.8=4, 4180/3.0=4...(7) Peak 4208 from cnoeabs.peaks (8.26, 1.34, 24.57 ppm; 4.79 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 94 + HG2 LYS 94 OK 99 100 - 99 - 4.9=92, 4197/2.9=24...(26) H ALA 71 + HG2 LYS 94 OK 58 99 - 59 - 4219/1.8=11, 4197/2.9=10...(13) H PHE 45 - HG2 LYS 94 OK 38 99 - 38 - 4219/1.8=6, 4170/3.7=6...(8) H GLU 23 - HG2 LYS 94 OK 38 87 - 43 - 5.0/10465=8, 4219/1.8=6...(12) Peak 4209 from cnoeabs.peaks (3.87, 1.34, 24.57 ppm; 3.67 A): 1 out of 9 assignments used, quality = 0.99: * HA LYS 94 + HG2 LYS 94 OK 99 100 - 99 - 3.7=94, 4175/1.8=19...(27) HA ALA 67 - HG2 LYS 94 OK 32 87 - 37 - 2979/1.8=5, 2976=4...(16) HA LYS 40 - HG2 LYS 94 OK 22 100 - 22 - 1780/2.9=3, 4220/1.8=3...(8) HA GLU 43 - HG2 LYS 94 OK 20 70 - 28 - 3.6/8973=3, 3.7/10605=3...(14) HA2 GLY 101 - HG2 LYS 94 OK 18 100 - 18 - 4220/1.8=3, ~4196=3...(9) HA2 GLY 100 - HG2 LYS 94 OK 14 100 - 14 - 4220/1.8=2, 4198/2.9=2...(8) HA LYS 12 - HG2 LYS 94 OK 13 90 - 14 - 4220/1.8=2, 4242/3.0=2...(5) HA LEU 38 - HG2 LYS 94 OK 12 96 - 12 - 4220/1.8=2, 4198/2.9=1 HB3 SER 49 - HG2 LYS 94 OK 10 94 - 11 - 4220/1.8=2, 4198/2.9=2...(5) Peak 4210 from cnoeabs.peaks (1.92, 1.34, 24.57 ppm; 4.02 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 2.9=100 HB3 LYS 47 + HG2 LYS 94 OK 72 100 - 73 - 3.0/4214=11, 4190/1.8=9...(29) HB2 GLU 43 - HG2 LYS 94 OK 30 73 - 42 - 3.0/10605=4, ~4196=4...(19) HB3 ARG 19 - HG2 LYS 94 OK 25 97 - 26 - 4221/1.8=3, 4243/3.0=3...(12) HB3 LYS 20 - HG2 LYS 94 OK 22 87 - 26 - 4243/3.0=3, 4232/3.0=3...(10) HB2 LYS 13 - HG2 LYS 94 OK 18 98 - 18 - 4221/1.8=2, 4243/3.0=2...(6) HB3 LYS 13 - HG2 LYS 94 OK 17 96 - 18 - 4221/1.8=2, 4243/3.0=2...(7) HB2 GLU 17 - HG2 LYS 94 OK 14 61 - 22 - 1.8/4211=3, ~12256=2...(11) HB VAL 32 - HG2 LYS 94 OK 12 65 - 18 - 2.1/10336=4, ~10335=3...(6) HB2 LYS 33 - HG2 LYS 94 OK 11 99 - 11 - 4221/1.8=1, 4232/3.0=1 HB3 LYS 33 - HG2 LYS 94 OK 11 97 - 10 - 4221/1.8=1 HB2 MET 1 - HG2 LYS 94 lone 4 61 - 7 - 4.6/6011=1 Peak 4211 from cnoeabs.peaks (2.02, 1.34, 24.57 ppm; 3.93 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 2.9=100 HB2 GLU 62 - HG2 LYS 94 OK 45 97 - 47 - 4222/1.8=7, 4244/3.0=6...(18) HG12 ILE 93 - HG2 LYS 94 OK 41 77 - 54 - 2.1/10321=7, 4222/1.8=6...(18) HB2 GLN 50 - HG2 LYS 94 OK 25 100 - 24 - 4222/1.8=4, 4233/3.0=3...(12) HB2 GLU 35 - HG2 LYS 94 OK 18 77 - 23 - 4222/1.8=3, 4244/3.0=2...(10) HB3 GLU 17 - HG2 LYS 94 OK 17 73 - 23 - 4222/1.8=3, 4233/3.0=2...(10) HB3 GLU 99 - HG2 LYS 94 lone 5 77 - 7 - 7531/4.9=1 Peak 4212 from cnoeabs.peaks (1.34, 1.34, 24.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 94 + HG2 LYS 94 OK 100 100 - 100 Peak 4213 from cnoeabs.peaks (1.38, 1.34, 24.57 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 1.8=100 HB3 ARG 30 - HG2 LYS 94 OK 23 92 - 26 - 4246/3.0=3, 4235/3.0=3...(10) HB2 LEU 70 - HG2 LYS 94 OK 19 87 - 22 - 4235/3.0=3, 4202/2.9=2...(9) HG12 ILE 8 - HG2 LYS 94 lone 3 65 - 5 - Peak 4214 from cnoeabs.peaks (1.62, 1.34, 24.57 ppm; 3.42 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 3.0=100 HG3 LYS 47 + HG2 LYS 94 OK 61 100 - 61 - 4225/1.8=11, 4203/2.9=8...(26) HG2 LYS 68 - HG2 LYS 94 OK 23 65 - 35 - 4225/1.8=4, 4247/3.0=3...(17) HD3 LYS 39 - HG2 LYS 94 OK 15 70 - 21 - 4225/1.8=2, 4203/2.9=2...(8) HB ILE 76 - HG2 LYS 94 lone 4 57 - 7 - Peak 4215 from cnoeabs.peaks (1.60, 1.34, 24.57 ppm; 3.38 A): 2 out of 13 assignments used, quality = 1.00: * HD3 LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 3.0=100 HB2 ARG 30 + HG2 LYS 94 OK 46 99 - 47 - 1323/1.8=8, 1.8/4213=8...(18) HG LEU 27 - HG2 LYS 94 OK 44 100 - 45 - 1207=5, 4226/1.8=5...(22) HD2 LYS 66 - HG2 LYS 94 OK 24 100 - 24 - 4226/1.8=3, 4204/2.9=2...(8) HG2 ARG 19 - HG2 LYS 94 OK 16 84 - 19 - 4226/1.8=2, 3.0/4210=2...(6) HG3 LYS 90 - HG2 LYS 94 OK 12 81 - 15 - ~10310=2, 4226/1.8=1...(5) HG3 LYS 12 - HG2 LYS 94 OK 11 99 - 11 - 4226/1.8=1, 4177/3.7=1...(4) HG3 LYS 73 - HG2 LYS 94 lone 10 100 - 10 - 4226/1.8=1 HB3 LEU 29 - HG2 LYS 94 lone 8 100 - 8 - 4226/1.8=1 HB2 LEU 103 - HG2 LYS 94 lone 7 84 - 8 - HB2 ARG 79 - HG2 LYS 94 lone 6 100 - 6 - HG2 LYS 24 - HG2 LYS 94 lone 6 87 - 6 - HG LEU 103 - HG2 LYS 94 lone 5 73 - 6 - Peak 4216 from cnoeabs.peaks (2.92, 1.34, 24.57 ppm; 4.20 A): 6 out of 9 assignments used, quality = 1.00: * HE2 LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 3.9=100 HE3 LYS 94 + HG2 LYS 94 OK 94 94 - 100 - 3.9=100 HE3 LYS 20 + HG2 LYS 94 OK 59 97 - 61 - 4227/1.8=5, 4205/2.9=5...(32) HE2 LYS 20 + HG2 LYS 94 OK 58 96 - 61 - 4227/1.8=5, 4205/2.9=5...(32) HE2 LYS 68 + HG2 LYS 94 OK 48 92 - 52 - 4227/1.8=4, 4205/2.9=4...(29) HE3 LYS 68 + HG2 LYS 94 OK 48 87 - 55 - 4227/1.8=4, 4205/2.9=4...(33) HE3 LYS 66 - HG2 LYS 94 OK 16 61 - 25 - 2.9/4215=3, ~4226=2...(12) HE3 LYS 90 - HG2 LYS 94 poor 8 73 - 11 - 3.8/4215=1, 7519/4.9=1 HB2 ASN 10 - HG2 LYS 94 lone 4 96 - 4 - Peak 4217 from cnoeabs.peaks (2.91, 1.34, 24.57 ppm; 4.20 A): 6 out of 10 assignments used, quality = 1.00: * HE3 LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 3.9=100 HE2 LYS 94 + HG2 LYS 94 OK 94 94 - 100 - 3.9=100 HE2 LYS 20 + HG2 LYS 94 OK 60 100 - 60 - 4228/1.8=5, 4206/2.9=5...(32) HE3 LYS 20 + HG2 LYS 94 OK 60 100 - 60 - 4228/1.8=5, 4206/2.9=4...(32) HE3 LYS 68 + HG2 LYS 94 OK 56 100 - 56 - 4228/1.8=5, 4206/2.9=4...(33) HE2 LYS 68 + HG2 LYS 94 OK 53 100 - 53 - 4228/1.8=4, 4206/2.9=4...(29) HE3 LYS 66 - HG2 LYS 94 OK 25 92 - 27 - 2.9/4215=3, 4250/3.0=2...(12) HE2 LYS 66 - HG2 LYS 94 OK 21 73 - 29 - 2.9/4215=3, ~4226=2...(13) HB2 ASN 10 - HG2 LYS 94 lone 2 70 - 3 - HB2 ASN 60 - HG2 LYS 94 lone 2 61 - 2 - Peak 4218 from cnoeabs.peaks (8.36, 1.34, 24.57 ppm; 5.02 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 95 + HG2 LYS 94 OK 100 100 - 100 - 4.9=100 H ILE 93 + HG2 LYS 94 OK 75 100 - 76 - 7498/4.9=18, 4207/2.9=15...(18) H TYR 4 - HG2 LYS 94 OK 43 100 - 42 - 4229/1.8=8, 4207/2.9=7...(9) Peak 4219 from cnoeabs.peaks (8.26, 1.38, 24.57 ppm; 4.75 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 94 + HG3 LYS 94 OK 99 100 - 99 - 4.9=90, 4197/2.9=24...(19) H ALA 71 + HG3 LYS 94 OK 60 99 - 61 - 4208/1.8=10, 4197/2.9=10...(16) H PHE 45 - HG3 LYS 94 OK 35 99 - 35 - 4208/1.8=6, 4170/3.7=6...(8) H GLU 23 - HG3 LYS 94 OK 34 87 - 39 - 5.0/12257=9, 4208/1.8=6...(10) Peak 4220 from cnoeabs.peaks (3.87, 1.38, 24.57 ppm; 3.54 A): 1 out of 9 assignments used, quality = 0.96: * HA LYS 94 + HG3 LYS 94 OK 96 100 - 96 - 3.7=85, 4209/1.8=14...(23) HA ALA 67 - HG3 LYS 94 OK 28 87 - 33 - 2979=5, 4209/1.8=5...(15) HA LYS 40 - HG3 LYS 94 OK 18 100 - 18 - 1780/2.9=3, 4209/1.8=3...(7) HA2 GLY 101 - HG3 LYS 94 OK 16 100 - 16 - 4209/1.8=3, ~4196=3...(8) HA GLU 43 - HG3 LYS 94 OK 14 70 - 21 - 4209/1.8=3, 4198/2.9=2...(9) HA2 GLY 100 - HG3 LYS 94 OK 12 100 - 12 - 4209/1.8=2, 4198/2.9=2...(6) HA LYS 12 - HG3 LYS 94 OK 11 90 - 12 - 4209/1.8=2, 4242/3.0=1...(4) HA LEU 38 - HG3 LYS 94 lone 9 96 - 9 - 4209/1.8=2, 4198/2.9=1 HB3 SER 49 - HG3 LYS 94 lone 9 94 - 9 - 4209/1.8=1, 4198/2.9=1 Peak 4221 from cnoeabs.peaks (1.92, 1.38, 24.57 ppm; 3.83 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 2.9=100 HB3 LYS 47 + HG3 LYS 94 OK 69 100 - 70 - 4190=11, 3.0/4225=10...(27) HB2 GLU 43 - HG3 LYS 94 OK 26 73 - 35 - ~4196=3, 4210/1.8=3...(18) HB3 ARG 19 - HG3 LYS 94 OK 22 97 - 23 - 4210/1.8=3, 4243/3.0=2...(11) HB3 LYS 20 - HG3 LYS 94 OK 20 87 - 24 - 4243/3.0=3, 4232/3.0=3...(10) HB2 LYS 13 - HG3 LYS 94 OK 16 98 - 16 - 4210/1.8=2, 4243/3.0=1...(6) HB3 LYS 13 - HG3 LYS 94 OK 15 96 - 15 - 4210/1.8=2, 4243/3.0=1...(6) HB VAL 32 - HG3 LYS 94 OK 12 65 - 19 - 3.9/10513=5, 2.1/10335=3...(6) HB2 GLU 17 - HG3 LYS 94 OK 12 61 - 20 - 1.8/4222=3, 3.0/12256=2...(10) HB2 LYS 33 - HG3 LYS 94 lone 10 99 - 10 - 4210/1.8=1 HB3 LYS 33 - HG3 LYS 94 lone 10 97 - 9 - 4210/1.8=1 HB2 MET 1 - HG3 LYS 94 lone 3 61 - 5 - ~8009=1 Peak 4222 from cnoeabs.peaks (2.02, 1.38, 24.57 ppm; 3.80 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 2.9=100 HB2 GLU 62 - HG3 LYS 94 OK 44 97 - 45 - 4211/1.8=6, 1.8/12253=6...(18) HG12 ILE 93 - HG3 LYS 94 OK 36 77 - 47 - 4211/1.8=6, 4173/3.7=5...(17) HB2 GLN 50 - HG3 LYS 94 OK 22 100 - 22 - 4211/1.8=3, 4233/3.0=3...(10) HB2 GLU 35 - HG3 LYS 94 OK 16 77 - 21 - 4211/1.8=3, 4244/3.0=2...(9) HB3 GLU 17 - HG3 LYS 94 OK 16 73 - 21 - 4211/1.8=2, 3.0/12256=2...(8) HB3 GLU 99 - HG3 LYS 94 lone 5 77 - 6 - 7531/4.9=1 Peak 4223 from cnoeabs.peaks (1.34, 1.38, 24.57 ppm; 2.40 A): 1 out of 10 assignments used, quality = 1.00: * HG2 LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 1.8=100 HB3 LEU 27 - HG3 LYS 94 OK 17 99 - 18 - 4245/3.0=2, 4234/3.0=2...(7) QB ALA 67 - HG3 LYS 94 OK 15 100 - 15 - 2.1/2979=2, 4234/3.0=1...(6) QB ALA 25 - HG3 LYS 94 OK 15 100 - 15 - 8622/3.0=4, 10334/3.7=3...(5) HG3 LYS 68 - HG3 LYS 94 OK 15 92 - 16 - 1.8/4225=2, 4234/3.0=2...(5) HB3 LEU 2 - HG3 LYS 94 lone 10 98 - 10 - HG2 LYS 39 - HG3 LYS 94 lone 8 98 - 8 - QB ALA 89 - HG3 LYS 94 lone 8 100 - 8 - 9939/4.9=1 HB2 LYS 82 - HG3 LYS 94 lone 2 99 - 2 - HG LEU 14 - HG3 LYS 94 lone 2 90 - 2 - Peak 4224 from cnoeabs.peaks (1.38, 1.38, 24.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 94 + HG3 LYS 94 OK 100 100 - 100 Peak 4225 from cnoeabs.peaks (1.62, 1.38, 24.57 ppm; 3.38 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 3.0=100 HG3 LYS 47 + HG3 LYS 94 OK 60 100 - 60 - 4214/1.8=10, 4203/2.9=8...(26) HG2 LYS 68 - HG3 LYS 94 OK 21 65 - 32 - 4214/1.8=4, 1.8/4223=4...(14) HD3 LYS 39 - HG3 LYS 94 OK 12 70 - 17 - 4214/1.8=3, 4203/2.9=2...(6) HB ILE 76 - HG3 LYS 94 lone 4 57 - 7 - Peak 4226 from cnoeabs.peaks (1.60, 1.38, 24.57 ppm; 3.34 A): 2 out of 13 assignments used, quality = 1.00: * HD3 LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 3.0=100 HB2 ARG 30 + HG3 LYS 94 OK 53 99 - 54 - 1323=10, 4215/1.8=5...(23) HG LEU 27 - HG3 LYS 94 OK 37 100 - 38 - 4215/1.8=5, ~10485=4...(19) HD2 LYS 66 - HG3 LYS 94 OK 23 100 - 23 - 4215/1.8=3, 4204/2.9=2...(7) HG2 ARG 19 - HG3 LYS 94 OK 14 84 - 17 - 4215/1.8=2, 3.0/4221=2...(6) HG3 LYS 90 - HG3 LYS 94 OK 10 81 - 13 - ~10310=2, 4215/1.8=1, 4204/2.9=1 HG3 LYS 12 - HG3 LYS 94 lone 10 99 - 10 - 4215/1.8=1, 4177/3.7=1...(4) HG3 LYS 73 - HG3 LYS 94 lone 9 100 - 9 - 4215/1.8=1 HB3 LEU 29 - HG3 LYS 94 lone 8 100 - 8 - 4.3/6484=2 HB2 ARG 79 - HG3 LYS 94 lone 7 100 - 7 - 4.6/10919=1 HB2 LEU 103 - HG3 LYS 94 lone 6 84 - 7 - HG2 LYS 24 - HG3 LYS 94 lone 4 87 - 5 - HG LEU 103 - HG3 LYS 94 lone 4 73 - 6 - Peak 4227 from cnoeabs.peaks (2.92, 1.38, 24.57 ppm; 4.13 A): 6 out of 9 assignments used, quality = 1.00: * HE2 LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 3.9=100 HE3 LYS 94 + HG3 LYS 94 OK 94 94 - 100 - 3.9=100 HE3 LYS 20 + HG3 LYS 94 OK 59 97 - 61 - 4257=6, 4216/1.8=5...(34) HE2 LYS 20 + HG3 LYS 94 OK 58 96 - 61 - 4257=5, 4216/1.8=5...(34) HE2 LYS 68 + HG3 LYS 94 OK 49 92 - 54 - 1.8/4268=4, 4268=4...(29) HE3 LYS 68 + HG3 LYS 94 OK 48 87 - 56 - 4268=4, 1.8/4268=4...(33) HE3 LYS 66 - HG3 LYS 94 OK 14 61 - 23 - 2.9/4226=3, ~4215=2...(12) HE3 LYS 90 - HG3 LYS 94 lone 7 73 - 9 - 7519/4.9=1, 3.8/4226=1 HB2 ASN 10 - HG3 LYS 94 lone 3 96 - 3 - Peak 4228 from cnoeabs.peaks (2.91, 1.38, 24.57 ppm; 4.13 A): 6 out of 10 assignments used, quality = 1.00: * HE3 LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 3.9=100 HE2 LYS 94 + HG3 LYS 94 OK 94 94 - 100 - 3.9=100 HE2 LYS 20 + HG3 LYS 94 OK 61 100 - 61 - 4268=5, 1.8/4257=5...(34) HE3 LYS 20 + HG3 LYS 94 OK 60 100 - 60 - 4268=5, 1.8/4268=5...(34) HE3 LYS 68 + HG3 LYS 94 OK 56 100 - 57 - 4268=5, 4217/1.8=4...(33) HE2 LYS 68 + HG3 LYS 94 OK 54 100 - 54 - 4268=5, 1.8/4268=4...(29) HE3 LYS 66 - HG3 LYS 94 OK 23 92 - 24 - 2.9/4226=3, 4217/1.8=2...(12) HE2 LYS 66 - HG3 LYS 94 OK 20 73 - 27 - 2.9/4226=3, ~4215=2...(12) HB2 ASN 10 - HG3 LYS 94 lone 2 70 - 3 - HB2 ASN 60 - HG3 LYS 94 lone 1 61 - 2 - Peak 4229 from cnoeabs.peaks (8.36, 1.38, 24.57 ppm; 4.87 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 95 + HG3 LYS 94 OK 100 100 - 100 - 4.9=100 H ILE 93 + HG3 LYS 94 OK 66 100 - 66 - 7498/4.9=17, 4207/2.9=14...(11) H TYR 4 - HG3 LYS 94 OK 36 100 - 36 - 4218/1.8=8, 4207/2.9=7...(7) Peak 4230 from cnoeabs.peaks (8.26, 1.62, 29.36 ppm; 5.37 A): 2 out of 4 assignments used, quality = 0.99: * H LYS 94 + HD2 LYS 94 OK 98 100 - 98 - 6.3=63, 4197/3.5=25...(24) H ALA 71 + HD2 LYS 94 OK 63 99 - 63 - 4219/3.0=10, 4197/3.5=10...(16) H PHE 45 - HD2 LYS 94 OK 38 99 - 38 - 4208/3.0=6, 4219/3.0=6...(8) H GLU 23 - HD2 LYS 94 OK 34 87 - 39 - 4241/1.8=6, 4208/3.0=6...(12) Peak 4231 from cnoeabs.peaks (3.87, 1.62, 29.36 ppm; 4.23 A): 1 out of 9 assignments used, quality = 0.97: * HA LYS 94 + HD2 LYS 94 OK 97 100 - 97 - 4.7=71, 3.7/4235=21...(36) HA ALA 67 - HD2 LYS 94 OK 36 87 - 42 - 4242/1.8=5, 2979/3.0=5...(15) HA LYS 40 - HD2 LYS 94 OK 24 100 - 24 - 1780/3.5=4, 4242/1.8=3...(6) HA2 GLY 101 - HD2 LYS 94 OK 20 100 - 20 - ~4196=3, 4242/1.8=3...(8) HA GLU 43 - HD2 LYS 94 OK 20 70 - 29 - 4209/3.0=3, 4242/1.8=3...(13) HA LYS 12 - HD2 LYS 94 OK 15 90 - 17 - 4242/1.8=3, 4209/3.0=2...(6) HA2 GLY 100 - HD2 LYS 94 OK 15 100 - 15 - 4242/1.8=2, 4209/3.0=2...(6) HA LEU 38 - HD2 LYS 94 OK 13 96 - 14 - 4209/3.0=2, 4242/1.8=2...(5) HB3 SER 49 - HD2 LYS 94 OK 13 94 - 13 - 4242/1.8=2, 4198/3.5=2...(6) Peak 4232 from cnoeabs.peaks (1.92, 1.62, 29.36 ppm; 3.66 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 94 + HD2 LYS 94 OK 100 100 - 100 - 3.5=100 HB3 LYS 47 + HD2 LYS 94 OK 72 100 - 73 - 1.8/2139=11, 3.0/2127=9...(31) HB3 LYS 20 - HD2 LYS 94 OK 31 87 - 36 - 4243/1.8=4, 880/3.0=2...(18) HB2 GLU 43 - HD2 LYS 94 OK 22 73 - 30 - 4243/1.8=3, ~4196=2...(12) HB3 ARG 19 - HD2 LYS 94 OK 21 97 - 21 - 4243/1.8=3, 4221/3.0=2...(7) HB2 LYS 13 - HD2 LYS 94 OK 15 98 - 15 - 4243/1.8=2, 4210/3.0=1...(5) HB3 LYS 13 - HD2 LYS 94 OK 14 96 - 15 - 4243/1.8=2, 4210/3.0=1...(5) HB2 GLU 17 - HD2 LYS 94 OK 11 61 - 18 - 1.8/4233=2, ~12029=2...(9) HB2 LYS 33 - HD2 LYS 94 lone 9 99 - 9 - 4243/1.8=1 HB3 LYS 33 - HD2 LYS 94 lone 9 97 - 9 - 4243/1.8=1 HB VAL 32 - HD2 LYS 94 poor 9 65 - 13 - 2.1/11009=3, ~10335=2...(4) HB2 MET 1 - HD2 LYS 94 lone 3 61 - 5 - Peak 4233 from cnoeabs.peaks (2.02, 1.62, 29.36 ppm; 3.67 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LYS 94 + HD2 LYS 94 OK 100 100 - 100 - 3.5=100 HB2 GLU 62 - HD2 LYS 94 OK 39 97 - 41 - 4244/1.8=6, 1.8/12250=5...(17) HG12 ILE 93 - HD2 LYS 94 OK 37 77 - 49 - 3.2/11010=7, 1.8/11010=7...(22) HB2 GLN 50 - HD2 LYS 94 OK 19 100 - 19 - 4244/1.8=3, 4211/3.0=3...(6) HB2 GLU 35 - HD2 LYS 94 OK 15 77 - 20 - 4244/1.8=3, 4211/3.0=2...(7) HB3 GLU 17 - HD2 LYS 94 OK 15 73 - 19 - 4244/1.8=2, 4211/3.0=2...(7) HB3 GLU 99 - HD2 LYS 94 lone 4 77 - 4 - Peak 4234 from cnoeabs.peaks (1.34, 1.62, 29.36 ppm; 2.93 A): 1 out of 10 assignments used, quality = 0.98: * HG2 LYS 94 + HD2 LYS 94 OK 98 100 - 98 - 3.0=96, 1.8/4235=20...(22) HG3 LYS 68 - HD2 LYS 94 OK 28 92 - 31 - 4245/1.8=3, 4223/3.0=2...(13) HB3 LEU 27 - HD2 LYS 94 OK 28 99 - 29 - 4245/1.8=4, 3.0/4237=3...(12) QB ALA 25 - HD2 LYS 94 OK 26 100 - 26 - 8622=9, 8622/1.8=4...(7) QB ALA 67 - HD2 LYS 94 OK 23 100 - 24 - 4245/1.8=3, 2.1/4231=2...(10) HB3 LEU 2 - HD2 LYS 94 OK 14 98 - 15 - 3.1/11009=3, 4245/1.8=2...(4) HG2 LYS 39 - HD2 LYS 94 OK 14 98 - 13 - 4245/1.8=2, 12072/3.5=2 QB ALA 89 - HD2 LYS 94 OK 10 100 - 10 - 4245/1.8=1, 4223/3.0=1 HB2 LYS 82 - HD2 LYS 94 lone 4 99 - 4 - HG LEU 14 - HD2 LYS 94 lone 3 90 - 3 - Peak 4235 from cnoeabs.peaks (1.38, 1.62, 29.36 ppm; 2.88 A): 1 out of 4 assignments used, quality = 0.96: * HG3 LYS 94 + HD2 LYS 94 OK 96 100 - 96 - 3.0=91, 1.8/4234=13...(21) HB3 ARG 30 - HD2 LYS 94 OK 33 92 - 36 - 4246/1.8=7, 1.8/4237=5...(15) HB2 LEU 70 - HD2 LYS 94 OK 29 87 - 33 - 4246/1.8=5, 3.1/11009=5...(11) HG12 ILE 8 - HD2 LYS 94 lone 4 65 - 6 - Peak 4236 from cnoeabs.peaks (1.62, 1.62, 29.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 94 + HD2 LYS 94 OK 100 100 - 100 Peak 4237 from cnoeabs.peaks (1.60, 1.62, 29.36 ppm; 2.40 A): 1 out of 13 assignments used, quality = 1.00: * HD3 LYS 94 + HD2 LYS 94 OK 100 100 - 100 - 1.8=100 HB2 ARG 30 - HD2 LYS 94 OK 24 99 - 24 - 1.8/4235=5, 1323/3.0=3...(9) HG LEU 27 - HD2 LYS 94 OK 19 100 - 19 - 4215/3.0=2, 2.1/11010=2...(8) HD2 LYS 66 - HD2 LYS 94 OK 10 100 - 10 - 4226/3.0=1, 4215/3.0=1 HG2 ARG 19 - HD2 LYS 94 lone 7 84 - 8 - HG3 LYS 90 - HD2 LYS 94 lone 5 81 - 6 - HG3 LYS 12 - HD2 LYS 94 lone 5 99 - 4 - HG3 LYS 73 - HD2 LYS 94 lone 4 100 - 4 - HB3 LEU 29 - HD2 LYS 94 lone 3 100 - 3 - HB2 LEU 103 - HD2 LYS 94 lone 3 84 - 3 - HB2 ARG 79 - HD2 LYS 94 lone 2 100 - 2 - HG LEU 103 - HD2 LYS 94 lone 2 73 - 3 - HG2 LYS 24 - HD2 LYS 94 lone 2 87 - 2 - Peak 4238 from cnoeabs.peaks (2.92, 1.62, 29.36 ppm; 2.92 A): 2 out of 9 assignments used, quality = 1.00: * HE2 LYS 94 + HD2 LYS 94 OK 99 100 - 99 - 3.0=97, 3.9/4235=10...(25) HE3 LYS 94 + HD2 LYS 94 OK 93 94 - 99 - 3.0=97, 3.9/4235=10...(26) HE3 LYS 20 - HD2 LYS 94 OK 36 97 - 37 - 4258=4, 4249/1.8=3...(21) HE2 LYS 20 - HD2 LYS 94 OK 36 96 - 37 - 4258=3, 4249/1.8=3...(21) HE2 LYS 68 - HD2 LYS 94 OK 28 92 - 30 - 4249/1.8=3, 4269=2...(15) HE3 LYS 68 - HD2 LYS 94 OK 27 87 - 31 - 4249/1.8=3, 4269=2...(12) HE3 LYS 66 - HD2 LYS 94 poor 8 61 - 13 - 2.9/4237=2, 4250/1.8=1 HE3 LYS 90 - HD2 LYS 94 lone 4 73 - 5 - HB2 ASN 10 - HD2 LYS 94 lone 2 96 - 2 - Peak 4239 from cnoeabs.peaks (2.91, 1.62, 29.36 ppm; 2.92 A): 2 out of 10 assignments used, quality = 1.00: * HE3 LYS 94 + HD2 LYS 94 OK 99 100 - 99 - 3.0=97, 3.9/4235=10...(26) HE2 LYS 94 + HD2 LYS 94 OK 93 94 - 99 - 3.0=97, 3.9/4235=10...(25) HE2 LYS 20 - HD2 LYS 94 OK 37 100 - 37 - 4269=3, 4250/1.8=3...(21) HE3 LYS 20 - HD2 LYS 94 OK 37 100 - 37 - 4258=3, 4250/1.8=3...(21) HE3 LYS 68 - HD2 LYS 94 OK 32 100 - 32 - 4250/1.8=3, 4269=3...(12) HE2 LYS 68 - HD2 LYS 94 OK 30 100 - 30 - 4250/1.8=3, 4269=3...(15) HE3 LYS 66 - HD2 LYS 94 OK 13 92 - 14 - 2.9/4237=2, 4250/1.8=1 HE2 LYS 66 - HD2 LYS 94 OK 11 73 - 15 - 2.9/4237=2, 4250/1.8=1 HB2 ASN 10 - HD2 LYS 94 lone 2 70 - 2 - HB2 ASN 60 - HD2 LYS 94 lone 0 61 - 1 - Peak 4240 from cnoeabs.peaks (8.36, 1.62, 29.36 ppm; 5.75 A): 2 out of 3 assignments used, quality = 0.98: * H GLU 95 + HD2 LYS 94 OK 89 100 - 89 - 4.9/4235=25, 7534=25...(14) H ILE 93 + HD2 LYS 94 OK 79 100 - 79 - 4.6/7517=17, 4207/3.5=15...(14) H TYR 4 - HD2 LYS 94 OK 43 100 - 43 - 4251/1.8=9, 4218/3.0=8...(8) Peak 4241 from cnoeabs.peaks (8.26, 1.60, 29.36 ppm; 5.65 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 94 + HD3 LYS 94 OK 99 100 - 99 - 6.3=73, 4197/3.5=26...(20) H ALA 71 + HD3 LYS 94 OK 63 99 - 63 - 4230/1.8=12, 4219/3.0=11...(13) H GLU 23 - HD3 LYS 94 OK 41 87 - 48 - 4208/3.0=7, 4230/1.8=6...(14) H PHE 45 - HD3 LYS 94 OK 37 99 - 37 - 4230/1.8=7, 4208/3.0=7...(6) Peak 4242 from cnoeabs.peaks (3.87, 1.60, 29.36 ppm; 4.40 A): 1 out of 9 assignments used, quality = 0.98: * HA LYS 94 + HD3 LYS 94 OK 98 100 - 98 - 4.7=80, 4176/1.8=21...(39) HA ALA 67 - HD3 LYS 94 OK 37 87 - 43 - 4231/1.8=6, 2979/3.0=5...(16) HA LYS 40 - HD3 LYS 94 OK 24 100 - 24 - 4231/1.8=4, 1780/3.5=4...(7) HA2 GLY 101 - HD3 LYS 94 OK 22 100 - 22 - ~4196=4, 4231/1.8=3...(9) HA GLU 43 - HD3 LYS 94 OK 21 70 - 30 - 4231/1.8=3, 4209/3.0=3...(14) HA LYS 12 - HD3 LYS 94 OK 19 90 - 21 - 4231/1.8=3, 385=2...(8) HA2 GLY 100 - HD3 LYS 94 OK 16 100 - 16 - 4231/1.8=2, 4209/3.0=2...(6) HB3 SER 49 - HD3 LYS 94 OK 12 94 - 13 - 4231/1.8=2, 4198/3.5=2...(6) HA LEU 38 - HD3 LYS 94 OK 12 96 - 12 - 4231/1.8=2, 4209/3.0=2...(5) Peak 4243 from cnoeabs.peaks (1.92, 1.60, 29.36 ppm; 3.62 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 94 + HD3 LYS 94 OK 100 100 - 100 - 3.5=100 HB3 LYS 47 + HD3 LYS 94 OK 63 100 - 64 - 3.0/4247=9, 4232/1.8=8...(25) HB3 LYS 20 - HD3 LYS 94 OK 30 87 - 34 - 4232/1.8=3, 880/3.0=2...(15) HB3 ARG 19 - HD3 LYS 94 OK 24 97 - 25 - 803=3, 4232/1.8=2...(8) HB2 GLU 43 - HD3 LYS 94 OK 22 73 - 30 - 4232/1.8=2, ~4196=2...(12) HB2 LYS 13 - HD3 LYS 94 OK 14 98 - 14 - 4232/1.8=2, 4210/3.0=1...(5) HB3 LYS 13 - HD3 LYS 94 OK 14 96 - 14 - 4232/1.8=2, 4210/3.0=1...(5) HB2 GLU 17 - HD3 LYS 94 OK 10 61 - 16 - 1.8/4244=2, ~4233=2...(8) HB2 LYS 33 - HD3 LYS 94 lone 9 99 - 8 - 4232/1.8=1 HB3 LYS 33 - HD3 LYS 94 lone 8 97 - 8 - 4232/1.8=1 HB VAL 32 - HD3 LYS 94 poor 8 65 - 12 - ~11009=2, ~10335=2...(4) HB2 MET 1 - HD3 LYS 94 lone 3 61 - 4 - Peak 4244 from cnoeabs.peaks (2.02, 1.60, 29.36 ppm; 3.98 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LYS 94 + HD3 LYS 94 OK 100 100 - 100 - 3.5=100 HB2 GLU 62 + HD3 LYS 94 OK 47 97 - 49 - 4233/1.8=7, 1.8/12251=7...(19) HG12 ILE 93 - HD3 LYS 94 OK 36 77 - 48 - 4233/1.8=7, ~11010=5...(20) HB2 GLN 50 - HD3 LYS 94 OK 22 100 - 22 - 4233/1.8=4, 4211/3.0=3...(9) HB2 GLU 35 - HD3 LYS 94 OK 19 77 - 25 - 4233/1.8=3, 4211/3.0=2...(9) HB3 GLU 17 - HD3 LYS 94 OK 16 73 - 22 - 4233/1.8=3, 4211/3.0=2...(7) HB3 GLU 99 - HD3 LYS 94 lone 4 77 - 5 - Peak 4245 from cnoeabs.peaks (1.34, 1.60, 29.36 ppm; 3.36 A): 1 out of 10 assignments used, quality = 1.00: * HG2 LYS 94 + HD3 LYS 94 OK 100 100 - 100 - 3.0=100 HB3 LEU 27 - HD3 LYS 94 OK 43 99 - 44 - 1200=6, 4234/1.8=5...(18) HG3 LYS 68 - HD3 LYS 94 OK 38 92 - 41 - 4234/1.8=5, 1.8/4247=4...(16) QB ALA 25 - HD3 LYS 94 OK 32 100 - 32 - 8622/1.8=10, 10334/4.7=5...(9) QB ALA 67 - HD3 LYS 94 OK 32 100 - 32 - 4234/1.8=4, 2.1/4242=3...(14) HB3 LEU 2 - HD3 LYS 94 OK 19 98 - 19 - 4234/1.8=2, ~11009=2...(8) HG2 LYS 39 - HD3 LYS 94 OK 18 98 - 18 - 4234/1.8=2, 12072/3.5=2...(6) QB ALA 89 - HD3 LYS 94 OK 15 100 - 15 - 4234/1.8=2, 4223/3.0=1...(6) HB2 LYS 82 - HD3 LYS 94 lone 6 99 - 6 - HG LEU 14 - HD3 LYS 94 lone 4 90 - 5 - Peak 4246 from cnoeabs.peaks (1.38, 1.60, 29.36 ppm; 3.24 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 94 + HD3 LYS 94 OK 100 100 - 100 - 3.0=100 HB3 ARG 30 + HD3 LYS 94 OK 45 92 - 49 - 4235/1.8=8, 1331=7...(23) HB2 LEU 70 - HD3 LYS 94 OK 32 87 - 37 - 4235/1.8=7, 4202/3.5=4...(17) HG12 ILE 8 - HD3 LYS 94 lone 6 65 - 8 - 4235/1.8=1 Peak 4247 from cnoeabs.peaks (1.62, 1.60, 29.36 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HD2 LYS 94 + HD3 LYS 94 OK 100 100 - 100 - 1.8=100 HG3 LYS 47 - HD3 LYS 94 OK 34 100 - 34 - 4225/3.0=4, 4214/3.0=4...(12) HG2 LYS 68 - HD3 LYS 94 OK 12 65 - 19 - 1.8/4245=2, 4214/3.0=1...(6) HD3 LYS 39 - HD3 LYS 94 lone 5 70 - 7 - HB ILE 76 - HD3 LYS 94 lone 1 57 - 2 - Peak 4248 from cnoeabs.peaks (1.60, 1.60, 29.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 94 + HD3 LYS 94 OK 100 100 - 100 Peak 4249 from cnoeabs.peaks (2.92, 1.60, 29.36 ppm; 3.26 A): 2 out of 9 assignments used, quality = 1.00: * HE2 LYS 94 + HD3 LYS 94 OK 100 100 - 100 - 3.0=100 HE3 LYS 94 + HD3 LYS 94 OK 94 94 - 100 - 3.0=100 HE3 LYS 20 - HD3 LYS 94 OK 43 97 - 45 - 4238/1.8=4, 4259=3...(22) HE2 LYS 20 - HD3 LYS 94 OK 42 96 - 45 - 4238/1.8=4, 4259=3...(22) HE2 LYS 68 - HD3 LYS 94 OK 35 92 - 38 - 4238/1.8=3, 3.6/4245=3...(19) HE3 LYS 68 - HD3 LYS 94 OK 34 87 - 39 - 4238/1.8=3, 3.6/4245=3...(20) HE3 LYS 66 - HD3 LYS 94 OK 13 61 - 21 - 2.9/2947=2, 1.8/2958=2 HE3 LYS 90 - HD3 LYS 94 lone 6 73 - 9 - HB2 ASN 10 - HD3 LYS 94 lone 3 96 - 3 - Peak 4250 from cnoeabs.peaks (2.91, 1.60, 29.36 ppm; 3.26 A): 2 out of 10 assignments used, quality = 1.00: * HE3 LYS 94 + HD3 LYS 94 OK 100 100 - 100 - 3.0=100 HE2 LYS 94 + HD3 LYS 94 OK 94 94 - 100 - 3.0=100 HE2 LYS 20 - HD3 LYS 94 OK 44 100 - 44 - 4239/1.8=4, 4270=3...(22) HE3 LYS 20 - HD3 LYS 94 OK 44 100 - 44 - 4239/1.8=4, 4270=3...(22) HE3 LYS 68 - HD3 LYS 94 OK 40 100 - 40 - 4239/1.8=4, 4270=3...(20) HE2 LYS 68 - HD3 LYS 94 OK 38 100 - 38 - 4239/1.8=3, 4270=3...(19) HE3 LYS 66 - HD3 LYS 94 OK 20 92 - 22 - 2.9/2947=2, 1.8/2958=2...(4) HE2 LYS 66 - HD3 LYS 94 OK 17 73 - 23 - 2.9/2947=2, 1.8/2958=2...(4) HB2 ASN 10 - HD3 LYS 94 lone 2 70 - 3 - HB2 ASN 60 - HD3 LYS 94 lone 1 61 - 1 - Peak 4251 from cnoeabs.peaks (8.36, 1.60, 29.36 ppm; 5.66 A): 2 out of 3 assignments used, quality = 0.96: * H GLU 95 + HD3 LYS 94 OK 87 100 - 87 - 7534/1.8=24, 7533/3.0=24...(13) H ILE 93 + HD3 LYS 94 OK 72 100 - 72 - 7498/6.3=16, 4207/3.5=15...(11) H TYR 4 - HD3 LYS 94 OK 42 100 - 42 - 4240/1.8=8, 4218/3.0=8...(7) Peak 4253 from cnoeabs.peaks (3.87, 2.92, 41.80 ppm; 6.05 A): 4 out of 45 assignments used, quality = 1.00: * HA LYS 94 + HE2 LYS 94 OK 100 100 - 100 - 6.0=100 HA LYS 94 + HE3 LYS 94 OK 65 65 - 100 - 6.0=100 HA LYS 94 + HE3 LYS 20 OK 52 81 - 65 - 3.0/4205=7, 3.7/4227=6...(28) HA LYS 94 + HE2 LYS 20 OK 48 73 - 65 - 3.0/4205=7, 3.7/4227=6...(28) HA ALA 67 - HE2 LYS 94 OK 44 87 - 51 - 4231/3.0=7, 4242/3.0=7...(17) HA LYS 94 - HE2 LYS 68 OK 34 57 - 59 - 3.0/4205=5, 3.7/4227=5...(22) HA LYS 40 - HE2 LYS 94 OK 30 100 - 30 - 4231/3.0=5, 1780/4.8=4...(7) HA ALA 67 - HE3 LYS 94 OK 24 50 - 49 - 4231/3.0=7, 4242/3.0=7...(16) HA LYS 40 - HE2 LYS 68 OK 24 57 - 43 - 1773/3.6=6, 1779/7.2=6...(10) HA2 GLY 101 - HE2 LYS 94 OK 23 100 - 23 - 4242/3.0=4, 4231/3.0=4...(7) HA GLU 43 - HE2 LYS 94 OK 23 70 - 34 - 4209/3.9=4, 4242/3.0=4...(13) HA LYS 12 - HE2 LYS 94 OK 21 90 - 23 - 4242/3.0=3, 4231/3.0=3...(8) HB3 SER 49 - HE3 LYS 20 OK 20 71 - 28 - 9069/3.6=4, 9069/3.0=4...(11) HA LYS 40 - HE3 LYS 94 OK 19 65 - 30 - 4231/3.0=5, 1780/4.8=4...(7) HA2 GLY 100 - HE2 LYS 94 OK 19 100 - 19 - 10091/4.8=3, 4242/3.0=3...(7) HA LYS 40 - HE3 LYS 20 OK 19 80 - 24 - 1780/4.7=3, 1771/3.6=3...(7) HB3 SER 49 - HE2 LYS 20 OK 18 64 - 28 - 9069/3.6=4, 9069/3.0=4...(11) HA LYS 40 - HE2 LYS 20 OK 17 73 - 23 - 1780/4.7=3, 1771/3.6=3...(7) HB3 SER 49 - HE2 LYS 94 OK 16 94 - 16 - 4231/3.0=2, 4242/3.0=2...(6) HA LEU 38 - HE2 LYS 94 OK 15 96 - 16 - 4231/3.0=3, 4209/3.9=2...(7) HA ALA 67 - HE2 LYS 68 OK 15 44 - 35 - 7104/7.2=12, ~7093=4...(8) HA2 GLY 101 - HE3 LYS 94 OK 15 65 - 23 - 4242/3.0=4, 4231/3.0=4...(7) HA2 GLY 100 - HE3 LYS 94 OK 13 65 - 19 - 10091/4.8=3, 4242/3.0=3...(7) HA GLU 43 - HE3 LYS 94 OK 12 38 - 32 - 4209/3.9=4, 4242/3.0=4...(11) HA LYS 12 - HE3 LYS 94 OK 12 53 - 22 - 4242/3.0=3, 4231/3.0=3...(8) HA LEU 38 - HE3 LYS 94 poor 9 58 - 16 - 4231/3.0=3, 4209/3.9=2...(7) HB3 SER 49 - HE3 LYS 94 poor 9 57 - 16 - 4231/3.0=2, 4242/3.0=2...(6) HA LYS 12 - HE2 LYS 68 poor 9 46 - 20 - 7104/7.2=2, 383/5.0=2...(8) HA ALA 67 - HE3 LYS 20 poor 8 64 - 12 - 3.6/7113=2, 4.8/2994=2...(4) HA LEU 38 - HE3 LYS 20 poor 8 73 - 11 - ~8852=2, 1619/3.6=1 HA LEU 38 - HE2 LYS 20 poor 7 66 - 11 - ~8852=2, 1619/3.6=1 HA ALA 67 - HE2 LYS 20 poor 7 57 - 12 - 3.6/7113=2, 4.8/2994=2, ~7093=1 HA GLU 43 - HE3 LYS 20 poor 6 49 - 12 - 3.0/10530=1, ~10530=1 HA GLU 43 - HE2 LYS 20 poor 5 44 - 12 - 3.0/10530=1, ~10530=1 HA GLU 43 - HE2 LYS 68 poor 4 33 - 13 - ~3043=2, ~3054=2...(4) HA2 GLY 100 - HE3 LYS 20 lone 3 81 - 4 - HA2 GLY 101 - HE3 LYS 20 lone 3 81 - 4 - HA LYS 12 - HE3 LYS 20 lone 3 66 - 5 - HA2 GLY 100 - HE2 LYS 20 lone 3 73 - 4 - HA2 GLY 101 - HE2 LYS 20 lone 3 73 - 4 - HA2 GLY 100 - HE2 LYS 68 lone 3 57 - 5 - 11028/5.0=1 HA LYS 12 - HE2 LYS 20 lone 3 60 - 5 - HB3 SER 49 - HE2 LYS 68 lone 3 49 - 5 - HA2 GLY 101 - HE2 LYS 68 lone 3 57 - 5 - HA LEU 38 - HE2 LYS 68 lone 2 51 - 5 - Peak 4254 from cnoeabs.peaks (1.92, 2.92, 41.80 ppm; 3.72 A): 4 out of 60 assignments used, quality = 0.99: * HB2 LYS 94 + HE2 LYS 94 OK 86 100 - 86 - 4.8=47, 4191/3.0=9...(31) HB3 LYS 20 + HE3 LYS 20 OK 56 64 - 88 - 4.7=49, 1.8/868=8...(46) HB2 LYS 94 + HE3 LYS 94 OK 56 65 - 85 - 4.8=47, 4191/3.0=9...(28) HB3 LYS 20 + HE2 LYS 20 OK 50 57 - 88 - 4.7=49, 1.8/868=8...(46) HB3 LYS 47 - HE2 LYS 94 OK 44 100 - 45 - 4232/3.0=7, 4243/3.0=6...(17) HB2 LYS 94 - HE3 LYS 20 OK 44 81 - 55 - 1.8/4205=5, 4193=4...(31) HB2 LYS 94 - HE2 LYS 20 OK 40 73 - 55 - 1.8/4205=5, 4193=4...(32) HB3 LYS 20 - HE2 LYS 94 OK 39 87 - 46 - 1.8/868=4, 880=3...(24) HB3 LYS 47 - HE3 LYS 94 OK 28 65 - 44 - 4232/3.0=7, 4243/3.0=6...(16) HB2 LYS 94 - HE2 LYS 68 OK 26 57 - 46 - 1.8/4205=4, 4193=3...(24) HB3 LYS 20 - HE3 LYS 94 OK 22 50 - 44 - 1.8/868=4, 880=3...(23) HB3 ARG 19 - HE3 LYS 20 OK 21 75 - 29 - 801/4.7=5, 798/6.3=4...(11) HB3 ARG 19 - HE2 LYS 20 OK 19 68 - 29 - 801/4.7=5, 798/6.3=4...(11) HB3 ARG 19 - HE2 LYS 94 OK 17 97 - 18 - 4243/3.0=2, 4232/3.0=2...(6) HB3 LYS 47 - HE3 LYS 20 OK 17 80 - 21 - 896/3.6=2, 4193=1...(6) HB3 LYS 20 - HE2 LYS 68 OK 16 44 - 37 - 1.8/868=3, 880=3...(20) HB3 LYS 47 - HE2 LYS 20 OK 16 73 - 21 - 896/3.6=2, 4193=1...(6) HB2 GLU 43 - HE2 LYS 94 OK 12 73 - 17 - 4243/3.0=2, 4232/3.0=2...(6) HB3 ARG 19 - HE3 LYS 94 OK 10 60 - 17 - 4243/3.0=2, 4232/3.0=2...(6) HB2 LYS 13 - HE2 LYS 94 lone 9 98 - 9 - 4243/3.0=1, 4232/3.0=1...(4) HB3 LYS 13 - HE2 LYS 94 lone 9 96 - 9 - 4243/3.0=1, 4232/3.0=1...(4) HB2 GLU 17 - HE3 LYS 20 poor 8 43 - 18 - 896/3.6=3, 885/3.6=3...(8) HB2 GLU 17 - HE2 LYS 94 poor 7 61 - 11 - ~12029=1, ~4233=1...(5) HB2 GLU 43 - HE3 LYS 94 poor 7 41 - 17 - 4243/3.0=2, 4232/3.0=2...(7) HB2 GLU 17 - HE2 LYS 20 poor 7 38 - 18 - 896/3.6=3, 885/3.6=3...(8) HB3 ARG 19 - HE2 LYS 68 poor 6 52 - 12 - 800/6.3=2, 4.1/6314=1 HB2 LYS 33 - HE2 LYS 94 lone 6 99 - 6 - HB3 LYS 33 - HE2 LYS 94 lone 6 97 - 6 - HB2 LYS 13 - HE3 LYS 94 lone 6 61 - 9 - 4243/3.0=1, 4232/3.0=1...(4) HB3 LYS 13 - HE3 LYS 94 lone 5 58 - 9 - 4243/3.0=1, 4232/3.0=1...(4) HB VAL 32 - HE2 LYS 94 lone 4 65 - 6 - ~11009=2 HB2 LYS 33 - HE3 LYS 94 lone 4 63 - 6 - HB2 GLU 17 - HE3 LYS 94 poor 4 33 - 11 - ~12029=1, ~4233=1...(5) HB3 LYS 33 - HE3 LYS 94 lone 3 60 - 6 - HB VAL 32 - HE3 LYS 20 lone 3 46 - 6 - ~8946=1, 896/3.6=1 HB2 MET 1 - HE3 LYS 20 lone 3 43 - 7 - 3.0/8005=1 HB2 GLU 43 - HE3 LYS 20 lone 3 52 - 5 - HB VAL 32 - HE2 LYS 20 lone 3 41 - 6 - ~8946=1, 896/3.6=1 HB2 MET 1 - HE2 LYS 20 lone 3 38 - 7 - 3.0/8005=1 HB2 GLU 43 - HE2 LYS 20 lone 2 46 - 5 - HB2 MET 1 - HE2 LYS 94 lone 2 61 - 4 - HB VAL 32 - HE3 LYS 94 lone 2 36 - 6 - ~11009=2 HB3 LYS 47 - HE2 LYS 68 lone 2 57 - 4 - HB2 GLU 43 - HE2 LYS 68 lone 2 35 - 4 - HB VAL 32 - HE2 LYS 68 lone 1 31 - 5 - ~10263=2, ~10160=1 HB2 LYS 13 - HE3 LYS 20 lone 1 76 - 2 - HB2 LYS 13 - HE2 LYS 20 lone 1 69 - 2 - HB2 MET 1 - HE3 LYS 94 lone 1 33 - 4 - HB3 LYS 13 - HE3 LYS 20 lone 1 73 - 1 - HB2 LYS 33 - HE3 LYS 20 lone 1 78 - 1 - HB3 LYS 13 - HE2 LYS 20 lone 1 66 - 1 - HB3 LYS 33 - HE3 LYS 20 lone 1 75 - 1 - HB2 LYS 33 - HE2 LYS 20 lone 1 70 - 1 - HB3 LYS 33 - HE2 LYS 20 lone 1 68 - 1 - HB2 LYS 13 - HE2 LYS 68 lone 1 54 - 1 - HB2 GLU 17 - HE2 LYS 68 lone 1 28 - 2 - HB3 LYS 13 - HE2 LYS 68 lone 1 51 - 1 - HB2 LYS 33 - HE2 LYS 68 lone 0 55 - 1 - HB3 LYS 33 - HE2 LYS 68 lone 0 52 - 1 - HB2 MET 1 - HE2 LYS 68 lone 0 28 - 1 - Peak 4255 from cnoeabs.peaks (2.02, 2.92, 41.80 ppm; 4.23 A): 4 out of 35 assignments used, quality = 1.00: * HB3 LYS 94 + HE2 LYS 94 OK 95 100 - 95 - 4.8=69, 3.5/4238=11...(37) HB3 LYS 94 + HE3 LYS 94 OK 62 65 - 95 - 4.8=69, 3.5/4238=11...(34) HB3 LYS 94 + HE3 LYS 20 OK 51 81 - 64 - 4205=7, 4205/1.8=6...(37) HB3 LYS 94 + HE2 LYS 20 OK 47 73 - 64 - 4205=7, 4205/1.8=6...(36) HB2 GLU 62 - HE2 LYS 94 OK 35 97 - 37 - 4244/3.0=6, 4233/3.0=6...(12) HB3 LYS 94 - HE2 LYS 68 OK 32 57 - 56 - 4205=6, 4206/1.8=5...(33) HG12 ILE 93 - HE2 LYS 94 OK 30 77 - 39 - 4233/3.0=6, 4244/3.0=5...(13) HB2 GLU 62 - HE3 LYS 94 OK 22 60 - 36 - 4244/3.0=6, 4233/3.0=6...(11) HG12 ILE 93 - HE3 LYS 94 OK 16 43 - 37 - 4233/3.0=6, 4244/3.0=5...(12) HB2 GLN 50 - HE2 LYS 94 OK 16 100 - 16 - 4233/3.0=3, 4244/3.0=3...(6) HB2 GLU 35 - HE2 LYS 94 OK 14 77 - 18 - 4244/3.0=3, 4233/3.0=2...(9) HB3 GLU 17 - HE2 LYS 94 OK 12 73 - 17 - 4233/3.0=2, 4244/3.0=2...(5) HB2 GLN 50 - HE3 LYS 94 OK 10 65 - 16 - 4233/3.0=3, 4244/3.0=3...(6) HB3 GLU 17 - HE3 LYS 20 poor 10 52 - 19 - 745/6.3=2, 746/4.7=2...(8) HB3 GLU 17 - HE2 LYS 20 poor 9 46 - 19 - 745/6.3=2, 746/4.7=2...(8) HB2 GLU 35 - HE3 LYS 94 poor 8 43 - 18 - 4244/3.0=3, 4233/3.0=2...(10) HB3 GLU 17 - HE3 LYS 94 poor 7 41 - 16 - 4233/3.0=2, 4244/3.0=2...(5) HB2 GLU 35 - HE3 LYS 20 lone 4 55 - 7 - HB2 GLU 35 - HE2 LYS 20 lone 4 49 - 7 - HB3 GLU 99 - HE2 LYS 94 lone 3 77 - 4 - HG12 ILE 93 - HE3 LYS 20 lone 3 55 - 5 - HB2 GLU 62 - HE3 LYS 20 lone 3 75 - 4 - HG12 ILE 93 - HE2 LYS 20 lone 3 49 - 5 - HB2 GLU 62 - HE2 LYS 20 lone 2 68 - 3 - HB2 GLU 35 - HE2 LYS 68 lone 2 37 - 6 - HB3 GLU 99 - HE3 LYS 94 lone 2 43 - 4 - HG12 ILE 93 - HE2 LYS 68 lone 2 37 - 5 - HB2 GLU 62 - HE2 LYS 68 lone 2 52 - 3 - HB2 GLN 50 - HE3 LYS 20 lone 1 80 - 2 - HB2 GLN 50 - HE2 LYS 20 lone 1 73 - 2 - HB3 GLU 99 - HE3 LYS 20 lone 1 55 - 2 - HB2 GLN 50 - HE2 LYS 68 lone 1 57 - 2 - HB3 GLU 99 - HE2 LYS 20 lone 1 49 - 2 - HB3 GLU 17 - HE2 LYS 68 lone 1 35 - 3 - HB3 GLU 99 - HE2 LYS 68 lone 0 37 - 1 - Peak 4256 from cnoeabs.peaks (1.34, 2.92, 41.80 ppm; 3.54 A): 3 out of 50 assignments used, quality = 0.99: * HG2 LYS 94 + HE2 LYS 94 OK 93 100 - 93 - 3.9=75, 4234/3.0=13...(32) HG2 LYS 94 + HE3 LYS 94 OK 60 65 - 92 - 3.9=75, 4234/3.0=13...(27) HG3 LYS 68 + HE2 LYS 68 OK 47 48 - 98 - 3.6=95, 1728/3.0=5...(41) HG2 LYS 94 - HE3 LYS 20 OK 40 81 - 50 - 4216=4, 1.8/4257=4...(27) HG3 LYS 68 - HE2 LYS 94 OK 39 92 - 42 - 4234/3.0=4, 4245/3.0=4...(17) HG2 LYS 94 - HE2 LYS 20 OK 37 73 - 50 - 4216=4, 1.8/4227=4...(27) HB3 LEU 27 - HE2 LYS 94 OK 25 99 - 25 - 4245/3.0=4, 4234/3.0=4...(13) HG2 LYS 94 - HE2 LYS 68 OK 25 57 - 43 - 4216=3, 4217/1.8=3...(23) QB ALA 25 - HE2 LYS 94 OK 23 100 - 23 - 8622/3.0=8, 8622/3.0=5...(7) HG2 LYS 39 - HE2 LYS 68 OK 22 54 - 42 - 3026/3.6=5, 1708/3.0=3...(15) QB ALA 67 - HE2 LYS 94 OK 22 100 - 22 - 4234/3.0=3, 4245/3.0=3...(10) HG3 LYS 68 - HE3 LYS 94 OK 22 55 - 40 - 4234/3.0=4, 4245/3.0=4...(17) HG3 LYS 68 - HE3 LYS 20 OK 18 69 - 26 - 1.8/3029=2, 3040=2...(9) HG3 LYS 68 - HE2 LYS 20 OK 16 62 - 26 - 1.8/3029=2, 3040=2...(9) HB3 LEU 27 - HE3 LYS 94 OK 15 63 - 25 - 4245/3.0=4, 4234/3.0=4...(12) HG2 LYS 39 - HE2 LYS 94 OK 15 98 - 15 - 4234/3.0=2, 4245/3.0=2...(4) QB ALA 25 - HE3 LYS 94 OK 15 65 - 23 - 8622/3.0=8, 8622/3.0=5...(7) QB ALA 67 - HE3 LYS 94 OK 14 65 - 21 - 4234/3.0=3, 4245/3.0=3...(11) HB3 LEU 2 - HE2 LYS 94 OK 10 98 - 10 - 4234/3.0=2, 4245/3.0=2...(5) QB ALA 67 - HE2 LYS 68 poor 10 57 - 17 - 2985/7.2=5, 10784/5.0=3...(6) QB ALA 89 - HE2 LYS 94 lone 9 100 - 9 - 4245/3.0=1, 4234/3.0=1...(4) HG2 LYS 39 - HE3 LYS 94 poor 9 61 - 14 - 4234/3.0=2, 4245/3.0=2...(4) HB3 LEU 2 - HE3 LYS 94 poor 6 61 - 10 - 4234/3.0=2, 4245/3.0=2...(5) QB ALA 89 - HE3 LYS 94 lone 5 65 - 8 - 4245/3.0=1, 4234/3.0=1...(4) HB3 LEU 27 - HE3 LYS 20 lone 4 78 - 5 - HB2 LYS 82 - HE2 LYS 94 lone 3 99 - 3 - HB3 LEU 27 - HE2 LYS 20 lone 3 70 - 5 - QB ALA 67 - HE3 LYS 20 lone 3 80 - 4 - HB3 LEU 27 - HE2 LYS 68 lone 3 55 - 6 - HG LEU 14 - HE2 LYS 94 lone 3 90 - 3 - QB ALA 67 - HE2 LYS 20 lone 3 73 - 4 - HG2 LYS 39 - HE3 LYS 20 lone 2 76 - 3 - HG2 LYS 39 - HE2 LYS 20 lone 2 69 - 3 - HB2 LYS 82 - HE3 LYS 94 lone 2 64 - 3 - HG LEU 14 - HE2 LYS 68 lone 2 46 - 4 - QB ALA 25 - HE3 LYS 20 lone 2 81 - 2 - HB2 LYS 82 - HE2 LYS 68 lone 2 56 - 3 - HG LEU 14 - HE3 LYS 94 lone 2 53 - 3 - QB ALA 25 - HE2 LYS 68 lone 2 57 - 3 - QB ALA 25 - HE2 LYS 20 lone 2 73 - 2 - QB ALA 89 - HE2 LYS 68 lone 1 57 - 2 - QB ALA 89 - HE3 LYS 20 lone 1 81 - 2 - HG LEU 14 - HE3 LYS 20 lone 1 66 - 2 - QB ALA 89 - HE2 LYS 20 lone 1 73 - 1 - HG LEU 14 - HE2 LYS 20 lone 1 60 - 2 - HB3 LEU 2 - HE2 LYS 68 lone 1 54 - 2 - HB3 LEU 2 - HE3 LYS 20 lone 1 76 - 1 - HB2 LYS 82 - HE3 LYS 20 lone 1 79 - 1 - HB2 LYS 82 - HE2 LYS 20 lone 1 71 - 1 - HB3 LEU 2 - HE2 LYS 20 lone 1 69 - 1 - Peak 4257 from cnoeabs.peaks (1.38, 2.92, 41.80 ppm; 3.63 A): 2 out of 20 assignments used, quality = 0.98: * HG3 LYS 94 + HE2 LYS 94 OK 95 100 - 95 - 3.9=81, 4235/3.0=21...(34) HG3 LYS 94 + HE3 LYS 94 OK 62 65 - 94 - 3.9=81, 4235/3.0=21...(28) HG3 LYS 94 - HE3 LYS 20 OK 41 81 - 52 - 4227=5, 4227/1.8=4...(30) HG3 LYS 94 - HE2 LYS 20 OK 38 73 - 52 - 4227=5, 4227/1.8=4...(29) HB3 ARG 30 - HE2 LYS 94 OK 31 92 - 34 - 4246/3.0=8, 4235/3.0=7...(12) HB2 LEU 70 - HE2 LYS 94 OK 26 87 - 30 - 4235/3.0=6, 4246/3.0=5...(11) HG3 LYS 94 - HE2 LYS 68 OK 26 57 - 45 - 4227=4, 4228/1.8=4...(26) HB3 ARG 30 - HE3 LYS 94 OK 18 55 - 33 - 4246/3.0=8, 4235/3.0=7...(12) HB2 LEU 70 - HE3 LYS 94 OK 15 50 - 29 - 4235/3.0=6, 4246/3.0=5...(9) HG12 ILE 8 - HE2 LYS 94 lone 4 65 - 6 - HG12 ILE 8 - HE3 LYS 20 lone 2 46 - 5 - 12204/4.7=1 HG12 ILE 8 - HE3 LYS 94 lone 2 36 - 6 - HB3 ARG 30 - HE3 LYS 20 lone 2 69 - 3 - HG12 ILE 8 - HE2 LYS 20 lone 2 41 - 5 - 12204/4.7=1 HB2 LEU 70 - HE3 LYS 20 lone 2 64 - 3 - HB3 ARG 30 - HE2 LYS 20 lone 2 62 - 3 - HB2 LEU 70 - HE2 LYS 20 lone 2 57 - 3 - HB2 LEU 70 - HE2 LYS 68 lone 1 44 - 3 - HB3 ARG 30 - HE2 LYS 68 lone 1 48 - 2 - HG12 ILE 8 - HE2 LYS 68 lone 0 31 - 1 - Peak 4258 from cnoeabs.peaks (1.62, 2.92, 41.80 ppm; 2.71 A): 2 out of 25 assignments used, quality = 0.95: * HD2 LYS 94 + HE2 LYS 94 OK 87 100 - 87 - 3.0=77, 4239/1.8=8...(17) HD2 LYS 94 + HE3 LYS 94 OK 57 65 - 87 - 3.0=77, 4238/1.8=9...(20) HG3 LYS 47 - HE2 LYS 94 OK 28 100 - 28 - 4247/3.0=5, 4225/3.9=4...(9) HD2 LYS 94 - HE3 LYS 20 OK 26 81 - 32 - 4238=4, 4238/1.8=3...(11) HD2 LYS 94 - HE2 LYS 20 OK 23 73 - 32 - 4238=4, 4238/1.8=3...(12) HG2 LYS 68 - HE2 LYS 68 OK 20 31 - 66 - 3.6=43, 3.0/3062=3...(28) HG3 LYS 47 - HE3 LYS 94 OK 18 65 - 28 - 4247/3.0=5, 4225/3.9=4...(9) HG2 LYS 68 - HE2 LYS 94 OK 15 65 - 24 - 4247/3.0=2, 4214/3.9=1...(9) HD2 LYS 94 - HE2 LYS 68 OK 15 57 - 25 - 4238=3, 4239/1.8=3...(9) HG3 LYS 47 - HE3 LYS 20 lone 8 80 - 10 - 2174/3.0=1, 2174/3.0=1 HG2 LYS 68 - HE3 LYS 94 poor 8 36 - 22 - 4247/3.0=2, 4214/3.9=1...(8) HG3 LYS 47 - HE2 LYS 20 lone 7 73 - 10 - 2174/3.0=1, 2174/3.0=1 HG2 LYS 68 - HE3 LYS 20 poor 6 46 - 13 - HG2 LYS 68 - HE2 LYS 20 poor 5 41 - 13 - HD3 LYS 39 - HE2 LYS 68 poor 5 33 - 16 - 1739/3.6=2 HD3 LYS 39 - HE2 LYS 94 lone 5 70 - 7 - HD3 LYS 39 - HE3 LYS 94 lone 3 38 - 6 - HB ILE 76 - HE2 LYS 94 lone 1 57 - 2 - HG3 LYS 47 - HE2 LYS 68 lone 1 57 - 2 - HD3 LYS 39 - HE3 LYS 20 lone 1 49 - 1 - HB ILE 76 - HE3 LYS 94 lone 1 31 - 2 - HD3 LYS 39 - HE2 LYS 20 lone 1 44 - 1 - HB ILE 76 - HE2 LYS 68 lone 0 26 - 2 - HB ILE 76 - HE3 LYS 20 lone 0 39 - 0 - HB ILE 76 - HE2 LYS 20 lone 0 35 - 0 - Peak 4259 from cnoeabs.peaks (1.60, 2.92, 41.80 ppm; 2.89 A): 2 out of 65 assignments used, quality = 0.99: * HD3 LYS 94 + HE2 LYS 94 OK 97 100 - 97 - 3.0=94, 1.8/4238=10...(22) HD3 LYS 94 + HE3 LYS 94 OK 63 65 - 97 - 3.0=94, 1.8/4238=9...(23) HD3 LYS 94 - HE3 LYS 20 OK 28 81 - 35 - 4249=4, 1.8/4238=4...(15) HD3 LYS 94 - HE2 LYS 20 OK 26 73 - 35 - 4249=4, 1.8/4238=3...(16) HB2 ARG 30 - HE2 LYS 94 OK 22 99 - 23 - 4237/3.0=3, 1323/3.9=3...(9) HG LEU 27 - HE2 LYS 94 OK 18 100 - 18 - 4237/3.0=3, 4215/3.9=2...(7) HD3 LYS 94 - HE2 LYS 68 OK 17 57 - 30 - 4249=3, 4250/1.8=3...(13) HB2 ARG 30 - HE3 LYS 94 OK 14 63 - 22 - 4237/3.0=3, 1323/3.9=3...(10) HD2 LYS 66 - HE2 LYS 94 OK 13 100 - 13 - 2939/1.8=2, 4237/3.0=1...(4) HG LEU 27 - HE3 LYS 94 OK 11 65 - 17 - 4237/3.0=3, 4215/3.9=2...(7) HD2 LYS 66 - HE3 LYS 94 poor 8 64 - 12 - 4237/3.0=1, 4226/3.9=1...(4) HG2 ARG 19 - HE2 LYS 94 lone 8 84 - 9 - HG3 LYS 90 - HE2 LYS 94 lone 8 81 - 9 - HG2 ARG 19 - HE3 LYS 20 poor 7 61 - 12 - 810/4.7=2, 811/4.7=2...(4) HD2 LYS 66 - HE2 LYS 68 poor 7 56 - 13 - 2939/1.8=2, ~2950=1, ~2949=1 HG2 ARG 19 - HE2 LYS 20 poor 6 55 - 12 - 810/4.7=2, 811/4.7=2...(4) HG3 LYS 12 - HE2 LYS 94 lone 5 99 - 5 - HG2 ARG 19 - HE3 LYS 94 lone 4 48 - 9 - HD2 LYS 66 - HE3 LYS 20 lone 4 80 - 5 - HG3 LYS 90 - HE3 LYS 94 lone 4 46 - 9 - HD2 LYS 66 - HE2 LYS 20 lone 4 72 - 5 - HG3 LYS 73 - HE2 LYS 94 lone 4 100 - 4 - HB3 LEU 29 - HE2 LYS 94 lone 3 100 - 3 - HG3 LYS 12 - HE2 LYS 68 lone 3 56 - 6 - HG3 LYS 12 - HE3 LYS 94 lone 3 64 - 5 - HG3 LYS 90 - HE2 LYS 68 lone 3 39 - 7 - 3960/5.0=1 HB2 LEU 103 - HE2 LYS 94 lone 3 84 - 3 - HG3 LYS 73 - HE3 LYS 94 lone 2 65 - 4 - HB2 ARG 79 - HE2 LYS 94 lone 2 100 - 2 - HG LEU 27 - HE3 LYS 20 lone 2 81 - 3 - HG3 LYS 73 - HE3 LYS 20 lone 2 81 - 2 - HB3 LEU 29 - HE3 LYS 94 lone 2 65 - 3 - HG2 LYS 24 - HE2 LYS 94 lone 2 87 - 2 - HG LEU 103 - HE2 LYS 94 lone 2 73 - 3 - HG LEU 27 - HE2 LYS 20 lone 2 73 - 3 - HG3 LYS 73 - HE2 LYS 20 lone 2 73 - 2 - HG LEU 27 - HE2 LYS 68 lone 2 57 - 3 - HG2 ARG 19 - HE2 LYS 68 lone 2 42 - 4 - HB3 LEU 29 - HE2 LYS 68 lone 2 57 - 3 - HB2 ARG 79 - HE3 LYS 94 lone 1 65 - 2 - HB2 ARG 79 - HE2 LYS 68 lone 1 57 - 3 - HB2 LEU 103 - HE3 LYS 94 lone 1 48 - 3 - HB2 ARG 30 - HE3 LYS 20 lone 1 78 - 1 - HG3 LYS 12 - HE3 LYS 20 lone 1 79 - 1 - HG2 LYS 24 - HE3 LYS 94 lone 1 50 - 2 - HG LEU 103 - HE3 LYS 94 lone 1 41 - 3 - HB2 ARG 30 - HE2 LYS 20 lone 1 70 - 1 - HG3 LYS 12 - HE2 LYS 20 lone 1 71 - 1 - HG3 LYS 90 - HE3 LYS 20 lone 1 58 - 1 - HB2 LEU 103 - HE2 LYS 68 lone 1 42 - 2 - HB2 ARG 30 - HE2 LYS 68 lone 1 55 - 1 - HG3 LYS 90 - HE2 LYS 20 lone 1 52 - 1 - HG3 LYS 73 - HE2 LYS 68 lone 1 57 - 1 - HB3 LEU 29 - HE3 LYS 20 lone 1 80 - 1 - HB3 LEU 29 - HE2 LYS 20 lone 1 73 - 1 - HG2 LYS 24 - HE3 LYS 20 lone 0 64 - 1 - HG LEU 103 - HE2 LYS 68 lone 0 35 - 1 - HG2 LYS 24 - HE2 LYS 20 lone 0 57 - 1 - HB2 ARG 79 - HE3 LYS 20 lone 0 80 - 0 - HB2 LEU 103 - HE3 LYS 20 lone 0 61 - 1 - HB2 ARG 79 - HE2 LYS 20 lone 0 73 - 0 - HB2 LEU 103 - HE2 LYS 20 lone 0 55 - 1 - HG2 LYS 24 - HE2 LYS 68 lone 0 44 - 1 - HG LEU 103 - HE3 LYS 20 lone 0 52 - 0 - HG LEU 103 - HE2 LYS 20 lone 0 46 - 0 - Peak 4260 from cnoeabs.peaks (2.92, 2.92, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HE2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 HE3 LYS 20 + HE3 LYS 20 OK 75 75 - 100 HE2 LYS 20 + HE2 LYS 20 OK 66 66 - 100 HE3 LYS 94 + HE3 LYS 94 OK 57 57 - 100 HE2 LYS 68 + HE2 LYS 68 OK 48 48 - 100 Peak 4261 from cnoeabs.peaks (2.91, 2.92, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE2 LYS 94 + HE2 LYS 94 OK 94 94 - 100 HE3 LYS 20 + HE3 LYS 20 OK 80 80 - 100 HE2 LYS 20 + HE2 LYS 20 OK 73 73 - 100 HE3 LYS 94 + HE3 LYS 94 OK 65 65 - 100 HE2 LYS 68 + HE2 LYS 68 OK 57 57 - 100 Reference assignment not found: HE3 LYS 94 - HE2 LYS 94 Peak 4264 from cnoeabs.peaks (3.87, 2.91, 41.80 ppm; 6.05 A): 6 out of 54 assignments used, quality = 1.00: * HA LYS 94 + HE3 LYS 94 OK 100 100 - 100 - 6.0=100 HA LYS 94 + HE2 LYS 94 OK 65 65 - 100 - 6.0=100 HA LYS 94 + HE2 LYS 20 OK 64 100 - 64 - 3.0/4206=6, 3.7/4228=6...(28) HA LYS 94 + HE3 LYS 20 OK 64 99 - 64 - 3.0/4206=6, 3.7/4228=6...(28) HA LYS 94 + HE3 LYS 68 OK 60 98 - 61 - 3.0/4206=6, 3.7/4228=5...(24) HA LYS 94 + HE2 LYS 68 OK 59 100 - 59 - 3.0/4206=6, 3.7/4228=5...(22) HA LYS 40 - HE2 LYS 68 OK 44 100 - 44 - 1773/3.6=6, 1779/7.2=6...(10) HA ALA 67 - HE3 LYS 94 OK 43 87 - 50 - 4231/3.0=7, 4242/3.0=7...(16) HA LYS 40 - HE3 LYS 68 OK 43 98 - 44 - 1773/3.6=6, 1779/7.2=6...(10) HA ALA 67 - HE2 LYS 68 OK 33 86 - 38 - 7104/7.2=12, 3.0/7093=5...(9) HA ALA 67 - HE3 LYS 68 OK 32 83 - 38 - 7104/7.2=12, 3.0/7093=5...(9) HA LYS 40 - HE3 LYS 94 OK 31 100 - 31 - 4231/3.0=5, 1780/4.8=4...(7) HB3 SER 49 - HE2 LYS 20 OK 27 94 - 28 - 9069/3.6=4, 9069/3.0=4...(12) HB3 SER 49 - HE3 LYS 20 OK 26 92 - 28 - 9069/3.6=4, 9069/3.0=4...(12) HA ALA 67 - HE2 LYS 94 OK 26 50 - 51 - 4231/3.0=7, 4242/3.0=7...(16) HA LYS 40 - HE2 LYS 20 OK 25 100 - 25 - 1780/4.7=3, 1771/3.6=3...(7) HA LYS 40 - HE3 LYS 20 OK 24 99 - 25 - 1780/4.7=3, 1771/3.6=3...(7) HA2 GLY 101 - HE3 LYS 94 OK 23 100 - 23 - 4242/3.0=4, 4231/3.0=4...(7) HA GLU 43 - HE3 LYS 94 OK 23 70 - 33 - 4209/3.9=4, 4242/3.0=4...(12) HA LYS 12 - HE3 LYS 94 OK 20 90 - 22 - 4242/3.0=3, 4231/3.0=3...(8) HA LYS 40 - HE2 LYS 94 OK 20 65 - 30 - 4231/3.0=5, 1780/4.8=4...(7) HA2 GLY 100 - HE3 LYS 94 OK 19 100 - 19 - 10091/4.8=3, 4242/3.0=3...(7) HA LYS 12 - HE2 LYS 68 OK 19 89 - 21 - 7104/7.2=2, 383/5.0=2...(9) HA LYS 12 - HE3 LYS 68 OK 18 85 - 21 - 7104/7.2=2, 383/5.0=2...(9) HA LEU 38 - HE3 LYS 94 OK 16 96 - 16 - 4231/3.0=3, 4209/3.9=2...(7) HB3 SER 49 - HE3 LYS 94 OK 15 94 - 16 - 4231/3.0=2, 4242/3.0=2...(6) HA2 GLY 101 - HE2 LYS 94 OK 15 65 - 23 - 4242/3.0=4, 4231/3.0=4...(7) HA GLU 43 - HE2 LYS 94 OK 13 38 - 34 - 4209/3.9=4, 4242/3.0=4...(13) HA2 GLY 100 - HE2 LYS 94 OK 13 65 - 19 - 10091/4.8=3, 4242/3.0=3...(7) HA LYS 12 - HE2 LYS 94 OK 12 53 - 22 - 4242/3.0=3, 4231/3.0=3...(8) HA ALA 67 - HE2 LYS 20 OK 12 86 - 13 - 3.6/7113=3, 4.8/2994=2...(4) HA ALA 67 - HE3 LYS 20 OK 11 85 - 13 - 3.6/7113=3, 4.8/2994=2...(5) HA LEU 38 - HE2 LYS 20 OK 11 95 - 11 - ~8852=2, 1619/3.6=1 HA LEU 38 - HE3 LYS 20 OK 11 94 - 11 - ~8852=2, 1619/3.6=1 HA GLU 43 - HE2 LYS 68 OK 10 69 - 15 - 2.9/3065=2, ~3043=2...(6) HA GLU 43 - HE3 LYS 68 poor 10 65 - 15 - 2.9/3076=2, ~3043=2...(6) HA LEU 38 - HE2 LYS 94 poor 9 58 - 16 - 4231/3.0=3, 4209/3.9=2...(7) HB3 SER 49 - HE2 LYS 94 poor 9 57 - 16 - 4231/3.0=2, 4242/3.0=2...(6) HA GLU 43 - HE2 LYS 20 poor 9 69 - 13 - 3.0/10530=1, ~10530=1 HA GLU 43 - HE3 LYS 20 poor 9 68 - 13 - 3.0/10530=1, ~10530=1 HA LEU 38 - HE2 LYS 68 lone 5 95 - 6 - HB3 SER 49 - HE2 LYS 68 lone 5 94 - 6 - HA LEU 38 - HE3 LYS 68 lone 5 92 - 6 - HA2 GLY 100 - HE2 LYS 68 lone 5 100 - 5 - 11028/5.0=1 HB3 SER 49 - HE3 LYS 68 lone 5 90 - 6 - HA2 GLY 100 - HE3 LYS 68 lone 5 98 - 5 - 11028/5.0=1 HA2 GLY 101 - HE2 LYS 68 lone 5 100 - 5 - HA2 GLY 101 - HE3 LYS 68 lone 5 98 - 5 - HA LYS 12 - HE2 LYS 20 lone 5 89 - 5 - HA LYS 12 - HE3 LYS 20 lone 4 88 - 5 - HA2 GLY 100 - HE2 LYS 20 lone 4 100 - 4 - HA2 GLY 100 - HE3 LYS 20 lone 4 99 - 4 - HA2 GLY 101 - HE2 LYS 20 lone 4 100 - 4 - HA2 GLY 101 - HE3 LYS 20 lone 4 99 - 4 - Peak 4265 from cnoeabs.peaks (1.92, 2.91, 41.80 ppm; 3.72 A): 8 out of 72 assignments used, quality = 1.00: * HB2 LYS 94 + HE3 LYS 94 OK 85 100 - 85 - 4.8=47, 4191/3.0=9...(28) HB3 LYS 20 + HE2 LYS 20 OK 76 86 - 88 - 4.7=49, 1.8/867=8...(46) HB3 LYS 20 + HE3 LYS 20 OK 75 85 - 88 - 4.7=49, 1.8/867=8...(46) HB2 LYS 94 + HE2 LYS 94 OK 56 65 - 85 - 4.8=47, 4191/3.0=9...(31) HB2 LYS 94 + HE2 LYS 20 OK 54 100 - 54 - 1.8/4206=5, 4194=4...(32) HB2 LYS 94 + HE3 LYS 20 OK 53 99 - 54 - 1.8/4206=5, 4194=4...(31) HB2 LYS 94 + HE3 LYS 68 OK 48 98 - 49 - 1.8/4206=4, 4194=3...(25) HB2 LYS 94 + HE2 LYS 68 OK 46 100 - 46 - 1.8/4206=4, 4194=3...(24) HB3 LYS 47 - HE3 LYS 94 OK 44 100 - 44 - 4232/3.0=7, 4243/3.0=6...(16) HB3 LYS 20 - HE3 LYS 94 OK 38 87 - 45 - 1.8/867=4, 879=4...(23) HB3 LYS 20 - HE2 LYS 68 OK 32 86 - 38 - 1.8/867=4, 879=3...(20) HB3 LYS 20 - HE3 LYS 68 OK 31 83 - 38 - 1.8/867=4, 879=3...(20) HB3 ARG 19 - HE2 LYS 20 OK 29 97 - 30 - 801/4.7=5, 4.1/6314=4...(11) HB3 ARG 19 - HE3 LYS 20 OK 28 96 - 30 - 801/4.7=5, 4.1/6314=4...(11) HB3 LYS 47 - HE2 LYS 94 OK 28 65 - 44 - 4232/3.0=7, 4243/3.0=6...(17) HB3 LYS 20 - HE2 LYS 94 OK 23 50 - 46 - 1.8/868=4, 880=4...(24) HB3 LYS 47 - HE2 LYS 20 OK 21 100 - 21 - 896/3.6=2, 4194=1...(6) HB3 LYS 47 - HE3 LYS 20 OK 21 99 - 21 - 896/3.6=2, 4194=1...(6) HB3 ARG 19 - HE3 LYS 94 OK 18 97 - 18 - 4243/3.0=2, 4232/3.0=2...(6) HB2 GLU 43 - HE3 LYS 94 OK 13 73 - 18 - 4243/3.0=2, 4232/3.0=2...(7) HB3 ARG 19 - HE2 LYS 68 OK 12 97 - 12 - 800/6.3=2, 4.1/6314=2 HB3 ARG 19 - HE3 LYS 68 OK 12 94 - 12 - 800/6.3=2, 4.1/6313=2 HB2 GLU 17 - HE2 LYS 20 OK 11 61 - 19 - 896/3.6=3, 885/3.6=3...(8) HB2 GLU 17 - HE3 LYS 20 OK 11 60 - 19 - 896/3.6=3, 885/3.6=3...(8) HB3 ARG 19 - HE2 LYS 94 OK 11 60 - 18 - 4243/3.0=2, 4232/3.0=2...(6) HB2 LYS 13 - HE3 LYS 94 lone 9 98 - 9 - 4243/3.0=1, 4232/3.0=1...(4) HB3 LYS 13 - HE3 LYS 94 lone 8 96 - 9 - 4243/3.0=1, 4232/3.0=1...(4) HB2 GLU 17 - HE3 LYS 94 poor 7 61 - 12 - ~12029=1, ~4233=1...(5) HB2 GLU 43 - HE2 LYS 94 poor 7 41 - 17 - 4243/3.0=2, 4232/3.0=2...(6) HB2 LYS 33 - HE3 LYS 94 lone 6 99 - 6 - HB3 LYS 33 - HE3 LYS 94 lone 6 97 - 6 - HB2 LYS 13 - HE2 LYS 94 lone 6 61 - 9 - 4243/3.0=1, 4232/3.0=1...(4) HB3 LYS 13 - HE2 LYS 94 lone 5 58 - 9 - 4243/3.0=1, 4232/3.0=1...(4) HB VAL 32 - HE3 LYS 94 lone 4 65 - 6 - ~11009=2 HB VAL 32 - HE2 LYS 20 lone 4 65 - 6 - ~8946=1, 896/3.6=1 HB2 GLU 43 - HE2 LYS 20 lone 4 73 - 6 - HB VAL 32 - HE3 LYS 20 lone 4 64 - 6 - ~8946=1, 896/3.6=1 HB3 LYS 47 - HE3 LYS 68 lone 4 98 - 4 - HB3 LYS 47 - HE2 LYS 68 lone 4 100 - 4 - HB2 GLU 43 - HE3 LYS 20 lone 4 71 - 6 - HB2 MET 1 - HE2 LYS 20 lone 4 61 - 6 - HB2 MET 1 - HE3 LYS 20 lone 4 60 - 6 - HB2 GLU 43 - HE2 LYS 68 lone 4 73 - 5 - HB2 GLU 17 - HE2 LYS 94 poor 4 33 - 11 - ~12029=1, ~4233=1...(5) HB2 LYS 33 - HE2 LYS 94 lone 4 63 - 6 - HB2 GLU 43 - HE3 LYS 68 lone 4 69 - 5 - HB3 LYS 33 - HE2 LYS 94 lone 3 60 - 6 - HB VAL 32 - HE2 LYS 68 lone 3 65 - 5 - ~10263=2, ~10160=1 HB VAL 32 - HE3 LYS 68 lone 3 61 - 5 - ~10263=2, ~10160=1 HB VAL 32 - HE2 LYS 94 lone 2 36 - 6 - ~11009=2 HB2 MET 1 - HE3 LYS 94 lone 2 61 - 3 - HB2 LYS 13 - HE2 LYS 20 lone 2 98 - 2 - HB2 LYS 13 - HE3 LYS 20 lone 2 97 - 2 - HB3 LYS 13 - HE2 LYS 20 lone 1 95 - 1 - HB3 LYS 13 - HE3 LYS 20 lone 1 94 - 1 - HB2 GLU 17 - HE2 LYS 68 lone 1 61 - 2 - HB2 GLU 17 - HE3 LYS 68 lone 1 58 - 2 - HB2 LYS 33 - HE2 LYS 20 lone 1 99 - 1 - HB2 LYS 33 - HE3 LYS 20 lone 1 98 - 1 - HB3 LYS 33 - HE2 LYS 20 lone 1 97 - 1 - HB3 LYS 33 - HE3 LYS 20 lone 1 96 - 1 - HB2 LYS 13 - HE2 LYS 68 lone 1 98 - 1 - HB2 LYS 13 - HE3 LYS 68 lone 1 95 - 1 - HB3 LYS 13 - HE2 LYS 68 lone 1 95 - 1 - HB2 MET 1 - HE2 LYS 94 lone 1 33 - 3 - HB3 LYS 13 - HE3 LYS 68 lone 1 92 - 1 - HB2 LYS 33 - HE2 LYS 68 lone 1 99 - 1 - HB2 LYS 33 - HE3 LYS 68 lone 1 96 - 1 - HB3 LYS 33 - HE2 LYS 68 lone 1 97 - 1 - HB3 LYS 33 - HE3 LYS 68 lone 1 94 - 1 - HB2 MET 1 - HE2 LYS 68 lone 1 61 - 1 - HB2 MET 1 - HE3 LYS 68 lone 1 58 - 1 - Peak 4266 from cnoeabs.peaks (2.02, 2.91, 41.80 ppm; 4.23 A): 6 out of 42 assignments used, quality = 1.00: * HB3 LYS 94 + HE3 LYS 94 OK 95 100 - 95 - 4.8=69, 3.5/4239=11...(34) HB3 LYS 94 + HE2 LYS 20 OK 63 100 - 64 - 4206=6, 4205/1.8=6...(36) HB3 LYS 94 + HE3 LYS 20 OK 63 99 - 63 - 4206=6, 4205/1.8=6...(37) HB3 LYS 94 + HE2 LYS 94 OK 62 65 - 95 - 4.8=69, ~4235=11...(37) HB3 LYS 94 + HE3 LYS 68 OK 58 98 - 59 - 4206=6, 4206/1.8=5...(32) HB3 LYS 94 + HE2 LYS 68 OK 57 100 - 57 - 4206=6, 4206/1.8=5...(33) HB2 GLU 62 - HE3 LYS 94 OK 35 97 - 37 - 4244/3.0=6, 4233/3.0=6...(11) HG12 ILE 93 - HE3 LYS 94 OK 29 77 - 38 - 4233/3.0=6, 4244/3.0=5...(14) HB2 GLU 62 - HE2 LYS 94 OK 21 60 - 35 - 4244/3.0=6, 4233/3.0=6...(12) HB2 GLN 50 - HE3 LYS 94 OK 16 100 - 16 - 4233/3.0=3, 4244/3.0=3...(6) HG12 ILE 93 - HE2 LYS 94 OK 15 43 - 36 - 4233/3.0=6, 4244/3.0=5...(13) HB2 GLU 35 - HE3 LYS 94 OK 15 77 - 19 - 4244/3.0=3, 4233/3.0=2...(10) HB3 GLU 17 - HE2 LYS 20 OK 14 73 - 20 - 2.9/927=2, 745/6.3=2...(8) HB3 GLU 17 - HE3 LYS 20 OK 14 71 - 20 - 2.9/927=2, 745/6.3=2...(8) HB3 GLU 17 - HE3 LYS 94 OK 12 73 - 17 - 4233/3.0=2, 4244/3.0=2...(5) HB2 GLN 50 - HE2 LYS 94 OK 10 65 - 16 - 4233/3.0=3, 4244/3.0=3...(6) HB2 GLU 35 - HE2 LYS 94 poor 8 43 - 18 - 4244/3.0=3, 4233/3.0=2...(9) HB3 GLU 17 - HE2 LYS 94 poor 7 41 - 17 - 4233/3.0=2, 4244/3.0=2...(5) HB2 GLU 35 - HE2 LYS 20 lone 6 77 - 8 - HB2 GLU 35 - HE3 LYS 20 lone 6 75 - 8 - HB2 GLU 35 - HE2 LYS 68 lone 5 77 - 7 - 4.7/3076=1 HB2 GLU 35 - HE3 LYS 68 lone 5 73 - 7 - 4.7/3076=1 HG12 ILE 93 - HE3 LYS 68 lone 4 73 - 5 - HB2 GLU 62 - HE3 LYS 68 lone 4 94 - 4 - HG12 ILE 93 - HE2 LYS 20 lone 4 77 - 5 - HB2 GLU 62 - HE2 LYS 68 lone 4 97 - 4 - HG12 ILE 93 - HE3 LYS 20 lone 4 75 - 5 - HB2 GLU 62 - HE2 LYS 20 lone 4 97 - 4 - HB2 GLU 62 - HE3 LYS 20 lone 4 96 - 4 - HG12 ILE 93 - HE2 LYS 68 lone 4 77 - 5 - HB3 GLU 99 - HE3 LYS 94 lone 3 77 - 4 - HB3 GLU 17 - HE2 LYS 68 lone 2 73 - 3 - HB3 GLU 17 - HE3 LYS 68 lone 2 69 - 3 - HB3 GLU 99 - HE2 LYS 94 lone 2 43 - 4 - HB2 GLN 50 - HE2 LYS 68 lone 2 100 - 2 - HB2 GLN 50 - HE3 LYS 68 lone 2 98 - 2 - HB2 GLN 50 - HE2 LYS 20 lone 2 100 - 2 - HB2 GLN 50 - HE3 LYS 20 lone 2 99 - 2 - HB3 GLU 99 - HE2 LYS 20 lone 2 77 - 2 - HB3 GLU 99 - HE3 LYS 20 lone 2 75 - 2 - HB3 GLU 99 - HE2 LYS 68 lone 1 77 - 1 - HB3 GLU 99 - HE3 LYS 68 lone 1 73 - 1 - Peak 4267 from cnoeabs.peaks (1.34, 2.91, 41.80 ppm; 3.54 A): 7 out of 60 assignments used, quality = 1.00: * HG2 LYS 94 + HE3 LYS 94 OK 92 100 - 92 - 3.9=75, 4234/3.0=13...(27) HG3 LYS 68 + HE2 LYS 68 OK 90 91 - 98 - 3.6=95, 2.9/3078=5...(41) HG3 LYS 68 + HE3 LYS 68 OK 86 88 - 98 - 3.6=95, 2.9/3078=5...(42) HG2 LYS 94 + HE2 LYS 94 OK 60 65 - 92 - 3.9=75, 4234/3.0=13...(32) HG2 LYS 94 + HE2 LYS 20 OK 49 100 - 50 - 4217=4, 1.8/4268=4...(26) HG2 LYS 94 + HE3 LYS 20 OK 49 99 - 49 - 4217=4, 1.8/4268=4...(26) HG2 LYS 94 + HE3 LYS 68 OK 45 98 - 46 - 4217=4, 1.8/4268=3...(23) HG2 LYS 94 - HE2 LYS 68 OK 43 100 - 43 - 4217=3, 1.8/4268=3...(23) HG2 LYS 39 - HE2 LYS 68 OK 41 98 - 43 - 3026/3.6=5, 1708/3.0=3...(17) HG2 LYS 39 - HE3 LYS 68 OK 40 95 - 43 - 3026/3.6=5, 1708/3.0=3...(17) HG3 LYS 68 - HE3 LYS 94 OK 38 92 - 41 - 4234/3.0=4, 4245/3.0=4...(20) HB3 LEU 27 - HE3 LYS 94 OK 25 99 - 26 - 4245/3.0=4, 4234/3.0=4...(12) HG3 LYS 68 - HE2 LYS 20 OK 25 91 - 27 - 1.8/3029=2, 3040=2...(9) HG3 LYS 68 - HE3 LYS 20 OK 24 90 - 27 - 1.8/3029=2, 3040=2...(9) HG3 LYS 68 - HE2 LYS 94 OK 24 55 - 44 - 4234/3.0=4, 4245/3.0=4...(19) QB ALA 25 - HE3 LYS 94 OK 23 100 - 23 - 8622/3.0=8, 8622/3.0=5...(7) QB ALA 67 - HE3 LYS 94 OK 22 100 - 22 - 4234/3.0=3, 4245/3.0=3...(11) QB ALA 67 - HE2 LYS 68 OK 18 100 - 19 - 2985/7.2=5, 10784/5.0=3...(7) QB ALA 67 - HE3 LYS 68 OK 18 98 - 19 - 2985/7.2=5, 10784/5.0=3...(6) HB3 LEU 27 - HE2 LYS 94 OK 15 63 - 25 - 4245/3.0=4, 4234/3.0=4...(12) QB ALA 25 - HE2 LYS 94 OK 15 65 - 23 - 8622/3.0=8, 8622/3.0=5...(7) HG2 LYS 39 - HE3 LYS 94 OK 15 98 - 14 - 4234/3.0=2, 4245/3.0=2...(4) QB ALA 67 - HE2 LYS 94 OK 14 65 - 22 - 4234/3.0=3, 4245/3.0=3...(11) HB3 LEU 2 - HE3 LYS 94 OK 10 98 - 10 - 4234/3.0=2, 4245/3.0=2...(5) HG2 LYS 39 - HE2 LYS 94 poor 9 61 - 15 - 4234/3.0=2, 4245/3.0=2...(4) QB ALA 89 - HE3 LYS 94 lone 8 100 - 8 - 4245/3.0=1, 4234/3.0=1...(4) HB3 LEU 27 - HE2 LYS 68 lone 6 99 - 6 - HB3 LEU 27 - HE3 LYS 68 lone 6 96 - 6 - HB3 LEU 2 - HE2 LYS 94 poor 6 61 - 10 - 4234/3.0=2, 4245/3.0=2...(5) QB ALA 89 - HE2 LYS 94 lone 5 65 - 8 - 4245/3.0=1, 4234/3.0=1...(4) HB3 LEU 27 - HE2 LYS 20 lone 5 99 - 5 - HB3 LEU 27 - HE3 LYS 20 lone 5 98 - 5 - QB ALA 67 - HE2 LYS 20 lone 5 100 - 5 - QB ALA 67 - HE3 LYS 20 lone 5 99 - 5 - HG LEU 14 - HE2 LYS 68 lone 4 89 - 5 - HG LEU 14 - HE3 LYS 68 lone 4 85 - 5 - HB2 LYS 82 - HE2 LYS 68 lone 4 99 - 4 - HB2 LYS 82 - HE3 LYS 94 lone 4 99 - 3 - HB2 LYS 82 - HE3 LYS 68 lone 4 97 - 4 - HG2 LYS 39 - HE2 LYS 20 lone 3 98 - 3 - HG2 LYS 39 - HE3 LYS 20 lone 3 97 - 3 - QB ALA 25 - HE2 LYS 68 lone 3 100 - 3 - QB ALA 25 - HE3 LYS 68 lone 3 98 - 3 - HG LEU 14 - HE3 LYS 94 lone 3 90 - 3 - QB ALA 89 - HE2 LYS 68 lone 3 100 - 2 - QB ALA 89 - HE3 LYS 68 lone 2 98 - 3 - QB ALA 25 - HE2 LYS 20 lone 2 100 - 2 - QB ALA 25 - HE3 LYS 20 lone 2 99 - 2 - HB3 LEU 2 - HE2 LYS 68 lone 2 98 - 2 - HB2 LYS 82 - HE2 LYS 94 lone 2 64 - 3 - HB3 LEU 2 - HE3 LYS 68 lone 2 95 - 2 - HG LEU 14 - HE2 LYS 20 lone 2 89 - 2 - HG LEU 14 - HE3 LYS 20 lone 2 88 - 2 - HG LEU 14 - HE2 LYS 94 lone 2 53 - 3 - QB ALA 89 - HE2 LYS 20 lone 2 100 - 2 - QB ALA 89 - HE3 LYS 20 lone 2 99 - 2 - HB2 LYS 82 - HE2 LYS 20 lone 1 99 - 1 - HB2 LYS 82 - HE3 LYS 20 lone 1 98 - 1 - HB3 LEU 2 - HE2 LYS 20 lone 1 98 - 1 - HB3 LEU 2 - HE3 LYS 20 lone 1 97 - 1 - Peak 4268 from cnoeabs.peaks (1.38, 2.91, 41.80 ppm; 3.63 A): 6 out of 24 assignments used, quality = 1.00: * HG3 LYS 94 + HE3 LYS 94 OK 94 100 - 94 - 3.9=81, 4235/3.0=21...(28) HG3 LYS 94 + HE2 LYS 94 OK 62 65 - 94 - 3.9=81, 4235/3.0=21...(34) HG3 LYS 94 + HE2 LYS 20 OK 51 100 - 51 - 4228=4, 4227/1.8=4...(29) HG3 LYS 94 + HE3 LYS 20 OK 50 99 - 51 - 4228=4, 4227/1.8=4...(30) HG3 LYS 94 + HE3 LYS 68 OK 47 98 - 48 - 4228=4, 4228/1.8=3...(25) HG3 LYS 94 + HE2 LYS 68 OK 45 100 - 45 - 4228=4, 4228/1.8=4...(26) HB3 ARG 30 - HE3 LYS 94 OK 31 92 - 34 - 4246/3.0=8, 4235/3.0=7...(12) HB2 LEU 70 - HE3 LYS 94 OK 27 87 - 31 - 4235/3.0=6, 4246/3.0=5...(10) HB3 ARG 30 - HE2 LYS 94 OK 18 55 - 33 - 4246/3.0=8, 4235/3.0=7...(12) HB2 LEU 70 - HE2 LYS 94 OK 15 50 - 29 - 4235/3.0=6, 4246/3.0=5...(11) HG12 ILE 8 - HE3 LYS 94 lone 4 65 - 6 - HG12 ILE 8 - HE2 LYS 20 lone 3 65 - 5 - 12204/4.7=1 HG12 ILE 8 - HE3 LYS 20 lone 3 64 - 5 - 12204/4.7=1 HB2 LEU 70 - HE2 LYS 68 lone 3 86 - 3 - HB2 LEU 70 - HE3 LYS 68 lone 3 83 - 3 - HB3 ARG 30 - HE2 LYS 20 lone 3 91 - 3 - HB3 ARG 30 - HE3 LYS 20 lone 3 90 - 3 - HB2 LEU 70 - HE2 LYS 20 lone 2 86 - 3 - HB2 LEU 70 - HE3 LYS 20 lone 2 85 - 3 - HB3 ARG 30 - HE2 LYS 68 lone 2 91 - 2 - HB3 ARG 30 - HE3 LYS 68 lone 2 88 - 3 - HG12 ILE 8 - HE2 LYS 94 lone 2 36 - 6 - HG12 ILE 8 - HE2 LYS 68 lone 1 65 - 1 - HG12 ILE 8 - HE3 LYS 68 lone 1 61 - 1 - Peak 4269 from cnoeabs.peaks (1.62, 2.91, 41.80 ppm; 2.71 A): 3 out of 30 assignments used, quality = 0.97: * HD2 LYS 94 + HE3 LYS 94 OK 87 100 - 87 - 3.0=77, 4238/1.8=9...(20) HD2 LYS 94 + HE2 LYS 94 OK 57 65 - 87 - 3.0=77, 4239/1.8=8...(17) HG2 LYS 68 + HE2 LYS 68 OK 44 65 - 67 - 3.6=43, 2.9/3078=3...(28) HG2 LYS 68 - HE3 LYS 68 OK 42 61 - 68 - 3.6=43, 2.9/3078=3...(28) HD2 LYS 94 - HE2 LYS 20 OK 32 100 - 32 - 4239=4, 4238/1.8=3...(12) HD2 LYS 94 - HE3 LYS 20 OK 31 99 - 31 - 4239=4, 4238/1.8=3...(11) HG3 LYS 47 - HE3 LYS 94 OK 28 100 - 28 - 4247/3.0=5, 4225/3.9=4...(9) HD2 LYS 94 - HE3 LYS 68 OK 26 98 - 27 - 4239=4, 4239/1.8=2...(9) HD2 LYS 94 - HE2 LYS 68 OK 26 100 - 26 - 4239=3, 4239/1.8=3...(9) HG3 LYS 47 - HE2 LYS 94 OK 18 65 - 28 - 4247/3.0=5, 4225/3.9=4...(9) HG2 LYS 68 - HE3 LYS 94 OK 15 65 - 23 - 4247/3.0=2, 1.8/3040=2...(8) HD3 LYS 39 - HE2 LYS 68 OK 11 69 - 16 - 1739/3.6=2 HD3 LYS 39 - HE3 LYS 68 OK 11 65 - 17 - 1739/3.6=2 HG3 LYS 47 - HE2 LYS 20 lone 10 100 - 10 - 2174/3.0=1, 2174/3.0=1 HG3 LYS 47 - HE3 LYS 20 lone 10 99 - 10 - 2174/3.0=1, 2174/3.0=1 HG2 LYS 68 - HE2 LYS 20 poor 9 65 - 14 - 1.8/3040=1 HG2 LYS 68 - HE3 LYS 20 poor 9 64 - 14 - 1.8/3040=1 HG2 LYS 68 - HE2 LYS 94 poor 9 36 - 24 - 4247/3.0=2, 1.8/3040=2...(9) HD3 LYS 39 - HE3 LYS 94 lone 5 70 - 7 - HD3 LYS 39 - HE2 LYS 94 lone 3 38 - 7 - HG3 LYS 47 - HE3 LYS 68 lone 2 98 - 2 - HG3 LYS 47 - HE2 LYS 68 lone 2 100 - 2 - HB ILE 76 - HE3 LYS 94 lone 1 57 - 2 - HB ILE 76 - HE2 LYS 68 lone 1 57 - 2 - HD3 LYS 39 - HE2 LYS 20 lone 1 69 - 1 - HD3 LYS 39 - HE3 LYS 20 lone 1 68 - 1 - HB ILE 76 - HE3 LYS 68 lone 1 54 - 2 - HB ILE 76 - HE2 LYS 94 lone 1 31 - 2 - HB ILE 76 - HE2 LYS 20 lone 0 57 - 0 - HB ILE 76 - HE3 LYS 20 lone 0 56 - 0 - Peak 4270 from cnoeabs.peaks (1.60, 2.91, 41.80 ppm; 2.89 A): 2 out of 78 assignments used, quality = 0.99: * HD3 LYS 94 + HE3 LYS 94 OK 97 100 - 97 - 3.0=94, 1.8/4239=9...(23) HD3 LYS 94 + HE2 LYS 94 OK 63 65 - 97 - 3.0=94, 1.8/4238=9...(22) HD3 LYS 94 - HE2 LYS 20 OK 35 100 - 35 - 4250=4, 1.8/4239=3...(16) HD3 LYS 94 - HE3 LYS 20 OK 34 99 - 34 - 4250=4, 1.8/4239=3...(15) HD3 LYS 94 - HE3 LYS 68 OK 31 98 - 32 - 4250=3, 1.8/4239=3...(12) HD3 LYS 94 - HE2 LYS 68 OK 30 100 - 31 - 4250=3, 1.8/4239=3...(13) HB2 ARG 30 - HE3 LYS 94 OK 22 99 - 22 - 4237/3.0=3, 1323/3.9=3...(10) HG LEU 27 - HE3 LYS 94 OK 17 100 - 18 - 4237/3.0=3, 4215/3.9=2...(7) HD2 LYS 66 - HE2 LYS 68 OK 17 100 - 17 - 2939/1.8=2, 2939=2...(7) HD2 LYS 66 - HE3 LYS 68 OK 16 97 - 17 - 2939/1.8=2, 2939=2...(7) HD2 LYS 66 - HE3 LYS 94 OK 14 100 - 14 - 4237/3.0=1, 2939=1...(6) HB2 ARG 30 - HE2 LYS 94 OK 13 63 - 22 - 4237/3.0=3, 1323/3.9=3...(8) HG LEU 27 - HE2 LYS 94 OK 11 65 - 18 - 4237/3.0=3, 4215/3.9=2...(7) HG2 ARG 19 - HE2 LYS 20 OK 10 83 - 13 - 810/4.7=2, 811/4.7=2...(4) HG2 ARG 19 - HE3 LYS 20 OK 10 82 - 12 - 810/4.7=2, 811/4.7=2...(4) HD2 LYS 66 - HE2 LYS 94 poor 9 64 - 15 - 2939/1.8=2, 4237/3.0=1...(4) HG2 ARG 19 - HE3 LYS 94 lone 8 84 - 9 - HG3 LYS 90 - HE3 LYS 94 lone 7 81 - 9 - HD2 LYS 66 - HE2 LYS 20 lone 7 100 - 7 - HD2 LYS 66 - HE3 LYS 20 lone 7 99 - 7 - HG3 LYS 12 - HE2 LYS 68 lone 7 99 - 7 - HG3 LYS 12 - HE3 LYS 68 lone 6 97 - 7 - HG3 LYS 90 - HE2 LYS 68 lone 6 80 - 7 - 2.8/3078=1, 3960/5.0=1 HG3 LYS 90 - HE3 LYS 68 lone 6 76 - 7 - 2.8/3078=1, 3960/5.0=1 HG3 LYS 12 - HE3 LYS 94 lone 5 99 - 5 - HG2 ARG 19 - HE2 LYS 94 lone 4 48 - 9 - HG3 LYS 73 - HE3 LYS 94 lone 4 100 - 4 - HG2 ARG 19 - HE2 LYS 68 lone 4 83 - 4 - HG2 ARG 19 - HE3 LYS 68 lone 3 80 - 4 - HB3 LEU 29 - HE3 LYS 94 lone 3 100 - 3 - HG LEU 27 - HE3 LYS 68 lone 3 98 - 3 - HG LEU 27 - HE2 LYS 68 lone 3 100 - 3 - HB3 LEU 29 - HE2 LYS 68 lone 3 100 - 3 - HG3 LYS 12 - HE2 LYS 94 lone 3 64 - 5 - HB3 LEU 29 - HE3 LYS 68 lone 3 98 - 3 - HG3 LYS 90 - HE2 LYS 94 lone 3 46 - 6 - HG LEU 27 - HE2 LYS 20 lone 3 100 - 3 - HG LEU 27 - HE3 LYS 20 lone 3 99 - 3 - HB2 ARG 79 - HE2 LYS 68 lone 3 100 - 3 - HB2 LEU 103 - HE3 LYS 94 lone 3 84 - 3 - HB2 ARG 79 - HE3 LYS 68 lone 3 98 - 3 - HG3 LYS 73 - HE2 LYS 20 lone 3 100 - 3 - HG3 LYS 73 - HE3 LYS 20 lone 3 99 - 3 - HB2 ARG 79 - HE3 LYS 94 lone 2 100 - 2 - HG3 LYS 73 - HE2 LYS 94 lone 2 65 - 4 - HB3 LEU 29 - HE2 LYS 94 lone 2 65 - 3 - HG LEU 103 - HE3 LYS 94 lone 2 73 - 3 - HB2 LEU 103 - HE2 LYS 68 lone 2 83 - 2 - HG2 LYS 24 - HE3 LYS 94 lone 2 87 - 2 - HB2 LEU 103 - HE3 LYS 68 lone 2 80 - 2 - HB2 ARG 30 - HE2 LYS 20 lone 2 99 - 2 - HG3 LYS 12 - HE2 LYS 20 lone 2 99 - 1 - HG3 LYS 12 - HE3 LYS 20 lone 1 98 - 1 - HB2 ARG 30 - HE3 LYS 20 lone 1 98 - 2 - HB2 LEU 103 - HE2 LYS 94 lone 2 48 - 3 - HB2 ARG 79 - HE2 LYS 94 lone 1 65 - 2 - HB2 ARG 30 - HE3 LYS 68 lone 1 96 - 2 - HB2 ARG 30 - HE2 LYS 68 lone 1 99 - 1 - HG LEU 103 - HE2 LYS 68 lone 1 73 - 2 - HG LEU 103 - HE3 LYS 68 lone 1 69 - 2 - HG3 LYS 73 - HE2 LYS 68 lone 1 100 - 1 - HG3 LYS 73 - HE3 LYS 68 lone 1 98 - 1 - HG LEU 103 - HE2 LYS 94 lone 1 41 - 3 - HG3 LYS 90 - HE2 LYS 20 lone 1 80 - 1 - HG2 LYS 24 - HE2 LYS 94 lone 1 50 - 2 - HG3 LYS 90 - HE3 LYS 20 lone 1 79 - 1 - HB3 LEU 29 - HE2 LYS 20 lone 1 100 - 1 - HB3 LEU 29 - HE3 LYS 20 lone 1 99 - 1 - HG2 LYS 24 - HE2 LYS 20 lone 1 86 - 1 - HG2 LYS 24 - HE2 LYS 68 lone 1 86 - 1 - HG2 LYS 24 - HE3 LYS 20 lone 1 85 - 1 - HG2 LYS 24 - HE3 LYS 68 lone 1 83 - 1 - HB2 LEU 103 - HE2 LYS 20 lone 1 83 - 1 - HB2 LEU 103 - HE3 LYS 20 lone 1 82 - 1 - HB2 ARG 79 - HE2 LYS 20 lone 0 100 - 0 - HB2 ARG 79 - HE3 LYS 20 lone 0 99 - 0 - HG LEU 103 - HE2 LYS 20 lone 0 73 - 1 - HG LEU 103 - HE3 LYS 20 lone 0 71 - 1 - Peak 4271 from cnoeabs.peaks (2.92, 2.91, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HE3 LYS 20 + HE3 LYS 20 OK 96 96 - 100 HE2 LYS 20 + HE2 LYS 20 OK 95 95 - 100 HE3 LYS 94 + HE3 LYS 94 OK 94 94 - 100 HE2 LYS 68 + HE2 LYS 68 OK 91 91 - 100 HE3 LYS 68 + HE3 LYS 68 OK 83 83 - 100 HE2 LYS 94 + HE2 LYS 94 OK 65 65 - 100 Reference assignment not found: HE2 LYS 94 - HE3 LYS 94 Peak 4272 from cnoeabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE2 LYS 68 + HE2 LYS 68 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 100 100 - 100 HE3 LYS 20 + HE3 LYS 20 OK 99 99 - 100 HE3 LYS 68 + HE3 LYS 68 OK 97 97 - 100 HE2 LYS 94 + HE2 LYS 94 OK 57 57 - 100 Peak 4274 from cnoeabs.peaks (8.36, 4.02, 59.37 ppm; 3.86 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 95 + HA GLU 95 OK 100 100 - 100 - 3.0=100 H ILE 93 + HA GLU 95 OK 46 100 - 46 - ~7527=10, 7550/3.6=8...(12) H TYR 4 - HA GLU 95 OK 17 100 - 17 - 4285/3.0=3, 7550/3.6=3...(6) Peak 4275 from cnoeabs.peaks (4.02, 4.02, 59.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 95 + HA GLU 95 OK 100 100 - 100 Peak 4276 from cnoeabs.peaks (2.20, 4.02, 59.37 ppm; 3.17 A): 1 out of 10 assignments used, quality = 1.00: * HB2 GLU 95 + HA GLU 95 OK 100 100 - 100 - 3.0=100 HG2 GLU 98 - HA GLU 95 OK 29 90 - 32 - 5.2/4281=9, 4.9/7598=6...(9) HB2 GLU 63 - HA GLU 95 OK 19 97 - 20 - 4309/4.1=3, 3.0/4279=3...(9) HG2 GLU 99 - HA GLU 95 OK 14 70 - 20 - 4.7/7598=7, 3.0/4368=4...(6) HG2 GLU 35 - HA GLU 95 lone 7 96 - 7 - 7539/3.0=1 HG3 GLU 35 - HA GLU 95 lone 7 96 - 7 - 7539/3.0=1 HG3 PRO 86 - HA GLU 95 lone 5 94 - 5 - HG2 MET 1 - HA GLU 95 lone 4 98 - 4 - 7539/3.0=1 HG2 GLU 43 - HA GLU 95 lone 4 73 - 5 - 7539/3.0=1, 3.7/11014=1 HB3 GLU 75 - HA GLU 95 lone 3 77 - 3 - Peak 4277 from cnoeabs.peaks (2.16, 4.02, 59.37 ppm; 2.98 A): 1 out of 9 assignments used, quality = 0.99: * HB3 GLU 95 + HA GLU 95 OK 99 100 - 99 - 3.0=98, 2.9/4308=14...(17) HB3 GLU 23 - HA GLU 95 OK 35 99 - 35 - 4294=6, 4288/3.0=5...(11) HB2 GLN 72 - HA GLU 95 OK 25 99 - 25 - 4288/3.0=3, 7540/3.0=3...(11) HB3 GLU 16 - HA GLU 95 OK 10 97 - 10 - 4294=2, 4288/3.0=2 HG2 GLU 104 - HA GLU 95 lone 8 90 - 9 - 4535/3.6=2, 4.9/7551=2 HB3 GLN 50 - HA GLU 95 lone 2 73 - 3 - HG2 GLU 75 - HA GLU 95 lone 2 81 - 2 - HG3 GLU 75 - HA GLU 95 lone 2 73 - 2 - HG2 GLU 88 - HA GLU 95 lone 1 70 - 2 - Peak 4278 from cnoeabs.peaks (2.27, 4.02, 59.37 ppm; 3.51 A): 2 out of 5 assignments used, quality = 0.95: * HG2 GLU 95 + HA GLU 95 OK 91 100 - 91 - 4.1=62, 1.8/4308=25...(13) HG2 GLU 23 + HA GLU 95 OK 42 100 - 42 - 4301=9, 4289/3.0=7...(14) HG3 GLU 62 - HA GLU 95 OK 29 96 - 31 - 4301=5, 7541/3.0=4...(13) HG2 GLU 62 - HA GLU 95 OK 29 96 - 31 - 4301=5, 7541/3.0=4...(13) HG2 GLU 37 - HA GLU 95 lone 2 84 - 2 - Peak 4279 from cnoeabs.peaks (2.52, 4.02, 59.37 ppm; 3.87 A): 1 out of 6 assignments used, quality = 0.97: * HG3 GLU 95 + HA GLU 95 OK 97 100 - 98 - 4.1=83, 4309/3.0=24...(19) HG3 GLN 72 - HA GLU 95 OK 32 87 - 37 - 7542/3.0=6, 4290/3.0=5...(14) HG3 GLU 63 - HA GLU 95 OK 24 92 - 26 - 4290/3.0=5, 3.0/4276=3...(12) HG2 MET 74 - HA GLU 95 OK 23 100 - 23 - 3.4/10282=5, 7542/3.0=3...(8) HB2 ASP 61 - HA GLU 95 lone 2 73 - 2 - HB3 ASP 36 - HA GLU 95 lone 1 61 - 2 - Peak 4280 from cnoeabs.peaks (8.21, 4.02, 59.37 ppm; 4.30 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 96 + HA GLU 95 OK 100 100 - 100 - 3.6=100 H SER 97 + HA GLU 95 OK 72 99 - 72 - 7568=38, 4.6/4281=20...(12) H GLU 104 - HA GLU 95 OK 37 99 - 37 - 7551=9, 7544/3.0=7...(10) H GLU 43 - HA GLU 95 poor 10 61 - 16 - ~7524=3, 2.9/11014=2...(4) Peak 4281 from cnoeabs.peaks (7.66, 4.02, 59.37 ppm; 4.61 A): 1 out of 1 assignment used, quality = 0.79: * H GLU 98 + HA GLU 95 OK 79 100 - 79 - 7583=42, 4.6/7568=21...(10) Peak 4282 from cnoeabs.peaks (2.04, 4.02, 59.37 ppm; 3.59 A): 6 out of 10 assignments used, quality = 0.90: * HB2 GLU 98 + HA GLU 95 OK 47 100 - 47 - 4.0/7583=16, 4368=13...(7) HB3 GLU 98 + HA GLU 95 OK 47 100 - 47 - 4.0/7583=16, 4368=13...(7) HB2 GLU 99 + HA GLU 95 OK 29 100 - 29 - 3.9/7598=10, 4368=8...(6) HB3 GLU 99 + HA GLU 95 OK 28 97 - 29 - 3.9/7598=10, 4376=7...(6) HG12 ILE 93 + HA GLU 95 OK 26 97 - 27 - 4146/3.0=6, 4.6/4274=5...(7) HB2 MET 74 + HA GLU 95 OK 11 65 - 16 - 4.2/10282=4, 4.0/10857=4...(7) HB3 GLU 48 - HA GLU 95 lone 2 100 - 2 - HB2 MET 21 - HA GLU 95 lone 2 98 - 2 - HG2 GLU 28 - HA GLU 95 lone 0 61 - 1 - HG3 GLU 28 - HA GLU 95 lone 0 61 - 1 - Peak 4283 from cnoeabs.peaks (2.04, 4.02, 59.37 ppm; 3.59 A): 5 out of 8 assignments used, quality = 0.89: HB2 GLU 98 + HA GLU 95 OK 47 100 - 47 - 4.0/7583=16, 4368=13...(7) * HB3 GLU 98 + HA GLU 95 OK 47 100 - 47 - 4.0/7583=16, 4368=13...(7) HB2 GLU 99 + HA GLU 95 OK 29 100 - 29 - 3.9/7598=10, 4368=8...(6) HB3 GLU 99 + HA GLU 95 OK 28 98 - 29 - 3.9/7598=10, 4376=7...(6) HG12 ILE 93 + HA GLU 95 OK 26 98 - 27 - 4146/3.0=6, 4.6/4274=5...(7) HB2 MET 74 - HA GLU 95 poor 10 61 - 16 - 4.2/10282=4, 4.0/10857=4...(7) HB3 GLU 48 - HA GLU 95 lone 2 99 - 2 - HB2 MET 21 - HA GLU 95 lone 2 97 - 2 - Peak 4284 from cnoeabs.peaks (4.82, 2.20, 29.51 ppm; 4.49 A): 2 out of 2 assignments used, quality = 0.79: * HA TRP 92 + HB2 GLU 95 OK 68 100 - 68 - 4092=28, 4093/1.8=26...(6) HA ASN 60 + HB2 GLU 95 OK 36 97 - 36 - 4292/1.8=11, 7525/4.0=8...(8) Peak 4285 from cnoeabs.peaks (8.36, 2.20, 29.51 ppm; 3.99 A): 1 out of 3 assignments used, quality = 0.99: * H GLU 95 + HB2 GLU 95 OK 99 100 - 99 - 4.0=97, 7540/1.8=26...(14) H ILE 93 - HB2 GLU 95 OK 44 100 - 45 - 3.6/4284=15, 4274/3.0=9...(8) H TYR 4 - HB2 GLU 95 OK 19 100 - 18 - 4274/3.0=3, 4307/2.9=3...(7) Peak 4286 from cnoeabs.peaks (4.02, 2.20, 29.51 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 95 + HB2 GLU 95 OK 100 100 - 100 - 3.0=100 HA LEU 70 - HB2 GLU 95 OK 27 100 - 27 - 4294/1.8=5, 7538/4.0=5...(8) HB3 SER 59 - HB2 GLU 95 OK 11 81 - 14 - 4.6/9413=2, 4308/2.9=2...(5) Peak 4287 from cnoeabs.peaks (2.20, 2.20, 29.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 95 + HB2 GLU 95 OK 100 100 - 100 Peak 4288 from cnoeabs.peaks (2.16, 2.20, 29.51 ppm; 2.55 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLU 95 + HB2 GLU 95 OK 100 100 - 100 - 1.8=100 HB3 GLU 23 - HB2 GLU 95 OK 35 99 - 36 - 4295=5, 2.9/4289=4...(12) HB2 GLN 72 - HB2 GLU 95 OK 21 99 - 21 - 3196/2.9=3, 4277/3.0=2...(8) HB3 GLU 16 - HB2 GLU 95 OK 10 97 - 11 - 4295=2, 4310/2.9=1 HG2 GLU 104 - HB2 GLU 95 lone 6 90 - 6 - 4535/4.6=1, 4.9/4291=1 HG2 GLU 75 - HB2 GLU 95 lone 1 81 - 2 - HG3 GLU 75 - HB2 GLU 95 lone 1 73 - 2 - HB3 GLN 50 - HB2 GLU 95 lone 1 73 - 2 - HG2 GLU 88 - HB2 GLU 95 lone 1 70 - 2 - Peak 4289 from cnoeabs.peaks (2.27, 2.20, 29.51 ppm; 3.33 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLU 95 + HB2 GLU 95 OK 100 100 - 100 - 2.9=100 HG2 GLU 23 + HB2 GLU 95 OK 49 100 - 49 - 2.9/4288=7, 4302=6...(21) HG3 GLU 62 - HB2 GLU 95 OK 29 96 - 30 - 4278/3.0=4, 4302=3...(10) HG2 GLU 62 - HB2 GLU 95 OK 29 96 - 30 - 4278/3.0=4, 4302=3...(10) HG2 GLU 37 - HB2 GLU 95 lone 2 84 - 2 - Peak 4290 from cnoeabs.peaks (2.52, 2.20, 29.51 ppm; 3.96 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLU 95 + HB2 GLU 95 OK 100 100 - 100 - 2.9=100 HG3 GLN 72 - HB2 GLU 95 OK 40 87 - 47 - 4298/1.8=6, 4279/3.0=5...(20) HG3 GLU 63 - HB2 GLU 95 OK 39 92 - 43 - 2795=7, 3.0/2781=5...(18) HG2 MET 74 - HB2 GLU 95 OK 25 100 - 25 - 4279/3.0=4, 4298/1.8=3...(10) HB2 ASP 61 - HB2 GLU 95 lone 3 73 - 4 - HB3 ASP 36 - HB2 GLU 95 lone 2 61 - 3 - Peak 4291 from cnoeabs.peaks (8.21, 2.20, 29.51 ppm; 4.44 A): 2 out of 4 assignments used, quality = 0.98: * H PHE 96 + HB2 GLU 95 OK 95 100 - 95 - 4.6=90, 4.5/7539=15...(10) H SER 97 + HB2 GLU 95 OK 63 99 - 64 - 7568/3.0=27, 7544/4.0=12...(9) H GLU 104 - HB2 GLU 95 OK 38 99 - 38 - 7552=7, 7551/3.0=6...(8) H GLU 43 - HB2 GLU 95 poor 6 61 - 10 - 7543/4.0=2, 4280/3.0=1...(4) Peak 4292 from cnoeabs.peaks (4.82, 2.16, 29.51 ppm; 4.79 A): 2 out of 6 assignments used, quality = 0.84: * HA TRP 92 + HB3 GLU 95 OK 73 100 - 73 - 4284/1.8=28, 4093=28...(7) HA ASN 60 + HB3 GLU 95 OK 41 97 - 42 - 4284/1.8=15, 7525/4.0=9...(8) HA TRP 92 - HB3 GLU 23 poor 8 57 - 15 - 4093=4, 7525/7540=2...(5) HA ASN 60 - HB3 GLU 16 lone 4 49 - 8 - ~9412=2, ~6970=2, ~2792=1 HA TRP 92 - HB3 GLU 16 lone 3 54 - 6 - 4093=2 HA ASN 60 - HB3 GLU 23 lone 3 52 - 6 - 4284/4288=1 Peak 4293 from cnoeabs.peaks (8.36, 2.16, 29.51 ppm; 4.00 A): 1 out of 9 assignments used, quality = 1.00: * H GLU 95 + HB3 GLU 95 OK 100 100 - 100 - 4.0=98, 7539/1.8=24...(12) H ILE 93 - HB3 GLU 95 OK 44 100 - 44 - 3.6/4093=15, 4285/1.8=10...(6) H GLU 95 - HB3 GLU 23 OK 23 57 - 41 - 7540=9, 3.0/4277=7...(11) H TYR 4 - HB3 GLU 95 OK 17 100 - 16 - 4285/1.8=4, 4274/3.0=3...(5) H ILE 93 - HB3 GLU 23 poor 6 56 - 11 - 7498/4.0=3, 3.6/4093=2 H GLU 95 - HB3 GLU 16 poor 6 54 - 10 - 3.0/4277=2, 7540=2...(4) H TYR 4 - HB3 GLU 16 lone 2 54 - 4 - 6040/3.0=2 H ILE 93 - HB3 GLU 16 lone 2 53 - 3 - H TYR 4 - HB3 GLU 23 lone 2 57 - 3 - Peak 4294 from cnoeabs.peaks (4.02, 2.16, 29.51 ppm; 3.07 A): 1 out of 9 assignments used, quality = 1.00: * HA GLU 95 + HB3 GLU 95 OK 100 100 - 100 - 3.0=100 HA GLU 95 - HB3 GLU 23 OK 22 57 - 39 - 4277=9, 3.0/4288=5...(13) HA LEU 70 - HB3 GLU 95 OK 20 100 - 20 - 4286/1.8=5, 7538/4.0=4...(8) HA GLU 95 - HB3 GLU 16 poor 6 54 - 11 - 4277=3, 3.0/4288=2 HB3 SER 59 - HB3 GLU 95 lone 6 81 - 7 - 4286/1.8=2, 4308/2.9=2 HB3 SER 59 - HB3 GLU 23 lone 3 39 - 8 - ~1021=2, ~1043=1...(4) HB3 SER 59 - HB3 GLU 16 lone 2 37 - 6 - ~695=2, ~2681=1 HA LEU 70 - HB3 GLU 23 lone 2 56 - 3 - HA LEU 70 - HB3 GLU 16 lone 1 53 - 3 - Peak 4295 from cnoeabs.peaks (2.20, 2.16, 29.51 ppm; 2.40 A): 1 out of 30 assignments used, quality = 1.00: * HB2 GLU 95 + HB3 GLU 95 OK 100 100 - 100 - 1.8=100 HB2 GLU 95 - HB3 GLU 23 OK 19 57 - 34 - 4288=8, 4289/2.9=3...(11) HB2 GLU 63 - HB3 GLU 95 OK 15 97 - 15 - 4309/2.9=2, ~2781=2...(8) HG2 GLU 98 - HB3 GLU 95 lone 9 90 - 10 - 4276/3.0=2 HB2 GLU 63 - HB3 GLU 16 poor 6 49 - 12 - 2776/3.0=2, 3.0/721=2...(4) HB2 GLU 95 - HB3 GLU 16 poor 6 54 - 10 - 4288=2 HG2 GLU 99 - HB3 GLU 95 lone 4 70 - 5 - HG3 GLU 35 - HB3 GLU 95 lone 4 96 - 4 - HG2 GLU 35 - HB3 GLU 95 lone 4 96 - 4 - HG3 PRO 86 - HB3 GLU 95 lone 3 94 - 3 - HG3 GLU 35 - HB3 GLU 16 lone 3 48 - 6 - HG2 GLU 35 - HB3 GLU 16 lone 3 48 - 6 - HG2 MET 1 - HB3 GLU 95 lone 2 98 - 2 - HG2 GLU 35 - HB3 GLU 23 lone 2 51 - 3 - HG3 GLU 35 - HB3 GLU 23 lone 2 51 - 3 - HB3 GLU 75 - HB3 GLU 95 lone 1 77 - 2 - HG2 GLU 43 - HB3 GLU 16 lone 1 33 - 4 - HG2 GLU 43 - HB3 GLU 95 lone 1 73 - 2 - HB3 GLU 75 - HB3 GLU 16 lone 1 35 - 3 - HB2 GLU 63 - HB3 GLU 23 lone 1 52 - 1 - HG3 PRO 86 - HB3 GLU 23 lone 1 49 - 1 - HB3 GLU 75 - HB3 GLU 23 lone 1 37 - 2 - HG2 MET 1 - HB3 GLU 23 lone 1 53 - 1 - HG2 GLU 98 - HB3 GLU 23 lone 0 45 - 1 - HG2 MET 1 - HB3 GLU 16 lone 0 50 - 1 - HG3 PRO 86 - HB3 GLU 16 lone 0 46 - 0 - HG2 GLU 99 - HB3 GLU 23 lone 0 33 - 0 - HG2 GLU 98 - HB3 GLU 16 lone 0 43 - 0 - HG2 GLU 43 - HB3 GLU 23 lone 0 35 - 0 - HG2 GLU 99 - HB3 GLU 16 lone 0 31 - 0 - Peak 4296 from cnoeabs.peaks (2.16, 2.16, 29.51 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 95 + HB3 GLU 95 OK 100 100 - 100 HB3 GLU 23 + HB3 GLU 23 OK 54 54 - 100 HB3 GLU 16 + HB3 GLU 16 OK 49 49 - 100 Peak 4297 from cnoeabs.peaks (2.27, 2.16, 29.51 ppm; 2.80 A): 2 out of 15 assignments used, quality = 0.97: * HG2 GLU 95 + HB3 GLU 95 OK 94 100 - 94 - 2.9=89, 4302/1.8=16...(12) HG2 GLU 23 + HB3 GLU 23 OK 54 57 - 95 - 2.9=91, 1024/1.8=15...(13) HG2 GLU 23 - HB3 GLU 95 OK 38 100 - 38 - 4289/1.8=6, 1.8/1045=5...(15) HG2 GLU 95 - HB3 GLU 23 OK 22 57 - 39 - 1.8/4310=6, 1024/1.8=5...(14) HG2 GLU 62 - HB3 GLU 95 OK 21 96 - 22 - 4289/1.8=4, 4278/3.0=3...(9) HG3 GLU 62 - HB3 GLU 95 OK 21 96 - 22 - 4289/1.8=4, 4278/3.0=3...(9) HG2 GLU 23 - HB3 GLU 16 OK 17 54 - 31 - 1.8/1045=4, ~10471=3...(14) HG3 GLU 62 - HB3 GLU 23 OK 15 51 - 30 - 1024/1.8=5, 1016/3.0=3...(12) HG2 GLU 62 - HB3 GLU 23 OK 15 51 - 30 - 1024/1.8=5, 1016/3.0=3...(12) HG2 GLU 95 - HB3 GLU 16 poor 6 54 - 11 - 1.8/4310=2, 2.9/4288=1, 4303=1 HG2 GLU 62 - HB3 GLU 16 lone 2 48 - 3 - HG3 GLU 62 - HB3 GLU 16 lone 2 48 - 3 - HG2 GLU 37 - HB3 GLU 95 lone 1 84 - 2 - HG2 GLU 37 - HB3 GLU 23 lone 1 41 - 2 - HG2 GLU 37 - HB3 GLU 16 lone 0 39 - 0 - Peak 4298 from cnoeabs.peaks (2.52, 2.16, 29.51 ppm; 3.79 A): 1 out of 18 assignments used, quality = 1.00: * HG3 GLU 95 + HB3 GLU 95 OK 100 100 - 100 - 2.9=100 HG3 GLN 72 - HB3 GLU 95 OK 44 87 - 51 - 4290/1.8=7, 3220=6...(22) HG3 GLU 95 - HB3 GLU 23 OK 35 57 - 61 - 4310=10, 2.9/4288=8...(29) HG3 GLU 63 - HB3 GLU 95 OK 30 92 - 34 - 4290/1.8=6, 1.8/721=4...(14) HG2 MET 74 - HB3 GLU 95 OK 25 100 - 25 - 4290/1.8=4, 4279/3.0=4...(11) HG3 GLU 63 - HB3 GLU 16 OK 14 45 - 32 - 2797/3.0=5, 1.8/721=5...(14) HG3 GLU 95 - HB3 GLU 16 OK 11 54 - 20 - 4310=3, 2.9/4288=2...(6) HG3 GLN 72 - HB3 GLU 23 poor 10 43 - 22 - 3220=3, 3.0/3202=2...(11) HG2 MET 74 - HB3 GLU 16 poor 9 53 - 17 - 3352/1.8=2, ~10863=2...(7) HG3 GLN 72 - HB3 GLU 16 poor 7 41 - 18 - 3.0/3202=2, 3220=2...(6) HG2 MET 74 - HB3 GLU 23 lone 2 57 - 4 - HG3 GLU 63 - HB3 GLU 23 lone 2 47 - 4 - HB2 ASP 61 - HB3 GLU 95 lone 2 73 - 2 - HB3 ASP 36 - HB3 GLU 95 lone 1 61 - 2 - HB2 ASP 61 - HB3 GLU 23 lone 1 35 - 3 - ~9450=1 HB3 ASP 36 - HB3 GLU 23 lone 1 28 - 3 - HB2 ASP 61 - HB3 GLU 16 lone 0 33 - 1 - HB3 ASP 36 - HB3 GLU 16 lone 0 26 - 1 - Peak 4299 from cnoeabs.peaks (8.21, 2.16, 29.51 ppm; 4.30 A): 2 out of 12 assignments used, quality = 0.96: * H PHE 96 + HB3 GLU 95 OK 92 100 - 92 - 4.6=81, 3.6/4277=20...(7) H SER 97 + HB3 GLU 95 OK 54 99 - 54 - 7568/3.0=26, 4291/1.8=11...(7) H GLU 104 - HB3 GLU 95 OK 37 99 - 37 - 4291/1.8=7, 7551/3.0=6...(8) H GLU 104 - HB3 GLU 23 OK 21 55 - 39 - 7656/4.0=6, 7667/1.8=5...(12) H PHE 96 - HB3 GLU 23 OK 17 57 - 30 - 3.6/4277=7, 4.6/4288=6...(8) H SER 97 - HB3 GLU 23 OK 14 55 - 26 - 10062/1.8=8, 10060/2.9=7...(7) H GLU 43 - HB3 GLU 95 lone 5 61 - 8 - 7543/4.0=2, 4280/3.0=1...(4) H PHE 96 - HB3 GLU 16 lone 4 54 - 8 - 3.6/4277=2, 4.6/4288=2...(4) H SER 97 - HB3 GLU 16 lone 3 52 - 6 - 10062/1.8=2 H GLU 104 - HB3 GLU 16 lone 2 52 - 4 - H GLU 43 - HB3 GLU 16 lone 2 26 - 6 - H GLU 43 - HB3 GLU 23 lone 1 28 - 2 - Peak 4300 from cnoeabs.peaks (8.36, 2.27, 36.47 ppm; 3.75 A): 3 out of 12 assignments used, quality = 0.93: * H GLU 95 + HG2 GLU 95 OK 85 100 - 85 - 4.8=47, 4307/1.8=28...(10) H GLU 95 + HG2 GLU 23 OK 32 87 - 38 - 7541=10, 3.0/4278=7...(11) H ILE 93 + HG2 GLU 95 OK 27 100 - 27 - 4307/1.8=9, 4285/2.9=7...(5) H GLU 95 - HG2 GLU 62 OK 22 66 - 33 - 7541=8, 7541/1.8=6...(10) H GLU 95 - HG3 GLU 62 OK 22 66 - 33 - 7541=8, 7541/1.8=6...(10) H TYR 4 - HG2 GLU 95 OK 13 100 - 12 - 4307/1.8=4, 4285/2.9=3...(4) H ILE 93 - HG2 GLU 23 lone 6 85 - 7 - 7498/5.0=2, 4.6/1035=1 H TYR 4 - HG2 GLU 23 lone 2 87 - 2 - H ILE 93 - HG2 GLU 62 lone 2 65 - 3 - H ILE 93 - HG3 GLU 62 lone 2 65 - 3 - H TYR 4 - HG2 GLU 62 lone 1 66 - 1 - H TYR 4 - HG3 GLU 62 lone 1 66 - 1 - Peak 4301 from cnoeabs.peaks (4.02, 2.27, 36.47 ppm; 3.41 A): 2 out of 12 assignments used, quality = 0.92: * HA GLU 95 + HG2 GLU 95 OK 88 100 - 88 - 4.1=57, 4308/1.8=24...(13) HA GLU 95 + HG2 GLU 23 OK 35 87 - 41 - 4278=10, 3.0/4289=6...(13) HA GLU 95 - HG2 GLU 62 OK 21 66 - 32 - 4278=7, 4278/1.8=5...(13) HA GLU 95 - HG3 GLU 62 OK 21 66 - 32 - 4278=7, 4278/1.8=5...(13) HA LEU 70 - HG2 GLU 95 OK 18 100 - 18 - 4308/1.8=5, 4286/2.9=5...(4) HB3 SER 59 - HG2 GLU 95 lone 8 81 - 9 - 4308/1.8=3, 4286/2.9=2...(4) HB3 SER 59 - HG2 GLU 23 lone 6 63 - 9 - ~1043=2, 1.8/1036=2...(5) HA LEU 70 - HG2 GLU 23 lone 3 85 - 4 - HA LEU 70 - HG2 GLU 62 lone 1 65 - 2 - HA LEU 70 - HG3 GLU 62 lone 1 65 - 2 - HB3 SER 59 - HG2 GLU 62 lone 0 46 - 1 - HB3 SER 59 - HG3 GLU 62 lone 0 46 - 1 - Peak 4302 from cnoeabs.peaks (2.20, 2.27, 36.47 ppm; 2.40 A): 5 out of 40 assignments used, quality = 0.86: * HB2 GLU 95 + HG2 GLU 95 OK 73 100 - 73 - 2.9=56, 4309/1.8=15...(11) HB2 GLU 95 + HG2 GLU 23 OK 23 87 - 27 - 4289=4, 4288/2.9=3...(10) HB2 GLU 63 + HG2 GLU 95 OK 13 97 - 14 - 4309/1.8=3, 4295/2.9=1...(4) HB2 GLU 95 + HG3 GLU 62 OK 11 66 - 17 - 4289=3, 4289/1.8=2...(6) HB2 GLU 95 + HG2 GLU 62 OK 11 66 - 17 - 4289=3, 4289/1.8=2...(6) HG2 GLU 98 - HG2 GLU 95 lone 4 90 - 5 - 4276/4.1=1, 4309/1.8=1 HG3 GLU 35 - HG2 GLU 95 lone 3 96 - 3 - HG2 GLU 35 - HG2 GLU 95 lone 3 96 - 3 - HG3 GLU 35 - HG3 GLU 62 lone 3 59 - 4 - HG2 GLU 35 - HG2 GLU 62 lone 3 59 - 4 - HG2 GLU 35 - HG3 GLU 62 lone 3 59 - 4 - HG3 GLU 35 - HG2 GLU 62 lone 3 59 - 4 - HB2 GLU 63 - HG2 GLU 62 lone 2 61 - 4 - 4.0/7017=3 HB2 GLU 63 - HG3 GLU 62 lone 2 61 - 4 - 4.0/7017=3 HG2 GLU 35 - HG2 GLU 23 lone 2 79 - 2 - HG3 GLU 35 - HG2 GLU 23 lone 2 79 - 2 - HG3 PRO 86 - HG2 GLU 95 lone 2 94 - 2 - HG2 MET 1 - HG2 GLU 95 lone 2 98 - 2 - HG2 GLU 99 - HG2 GLU 95 lone 2 70 - 2 - HB2 GLU 63 - HG2 GLU 23 lone 1 81 - 2 - HB3 GLU 75 - HG2 GLU 95 lone 1 77 - 2 - HG3 PRO 86 - HG2 GLU 23 lone 1 77 - 1 - HG2 GLU 43 - HG2 GLU 95 lone 1 73 - 1 - HG2 GLU 98 - HG2 GLU 23 lone 1 72 - 1 - HB3 GLU 75 - HG2 GLU 23 lone 1 60 - 1 - HG2 MET 1 - HG2 GLU 23 lone 1 82 - 1 - HG2 MET 1 - HG2 GLU 62 lone 1 62 - 1 - HG2 MET 1 - HG3 GLU 62 lone 1 62 - 1 - HG3 PRO 86 - HG2 GLU 62 lone 0 57 - 1 - HG3 PRO 86 - HG3 GLU 62 lone 0 57 - 1 - HG2 GLU 98 - HG2 GLU 62 lone 0 53 - 1 - HG2 GLU 98 - HG3 GLU 62 lone 0 53 - 1 - HG2 GLU 99 - HG2 GLU 23 lone 0 54 - 1 - HG2 GLU 99 - HG2 GLU 62 lone 0 38 - 1 - HG2 GLU 99 - HG3 GLU 62 lone 0 38 - 1 - HG2 GLU 43 - HG2 GLU 23 lone 0 57 - 0 - HG2 GLU 43 - HG3 GLU 62 lone 0 41 - 0 - HG2 GLU 43 - HG2 GLU 62 lone 0 41 - 0 - HB3 GLU 75 - HG2 GLU 62 lone 0 44 - 0 - HB3 GLU 75 - HG3 GLU 62 lone 0 44 - 0 - Peak 4303 from cnoeabs.peaks (2.16, 2.27, 36.47 ppm; 2.58 A): 2 out of 36 assignments used, quality = 0.94: * HB3 GLU 95 + HG2 GLU 95 OK 82 100 - 82 - 2.9=69, 1.8/4302=14...(11) HB3 GLU 23 + HG2 GLU 23 OK 68 84 - 82 - 2.9=71, 1.8/1024=13...(12) HB3 GLU 23 - HG2 GLU 95 OK 33 99 - 34 - 1032=5, 4310/1.8=5...(13) HB3 GLU 95 - HG2 GLU 23 OK 28 87 - 32 - 1.8/4289=5, 4297=5...(11) HB3 GLU 16 - HG2 GLU 23 OK 20 81 - 26 - 1045/1.8=3, 706/2.9=3...(11) HB2 GLN 72 - HG2 GLU 95 OK 18 99 - 19 - 4310/1.8=4, 4288/2.9=2...(6) HB3 GLU 23 - HG2 GLU 62 OK 18 63 - 29 - 1.8/1024=4, 1032=4...(12) HB3 GLU 23 - HG3 GLU 62 OK 18 63 - 29 - 1.8/1024=4, 1032=4...(12) HB3 GLU 95 - HG2 GLU 62 OK 13 66 - 20 - 1.8/4289=3, 4297=3...(9) HB3 GLU 95 - HG3 GLU 62 OK 13 66 - 20 - 1.8/4289=3, 4297=3...(9) HG2 GLU 104 - HG2 GLU 23 poor 9 72 - 12 - 4540/2.9=2, 1045/1.8=2 HB3 GLU 16 - HG2 GLU 95 lone 8 97 - 8 - 4310/1.8=1, 4288/2.9=1 HG2 GLU 88 - HG2 GLU 23 poor 8 54 - 14 - 1045/1.8=2, 3889/2.9=2...(5) HB2 GLN 72 - HG2 GLU 23 lone 7 84 - 8 - 1045/1.8=1, 3192/4.2=1 HG2 GLU 104 - HG2 GLU 95 lone 4 90 - 5 - HG2 GLU 104 - HG2 GLU 62 lone 4 53 - 7 - 4536/4.0=1, 4540/2.9=1 HG2 GLU 104 - HG3 GLU 62 lone 4 53 - 7 - 4536/4.0=1, 4540/2.9=1 HB3 GLU 16 - HG2 GLU 62 lone 2 61 - 3 - HB3 GLU 16 - HG3 GLU 62 lone 2 61 - 3 - HG2 GLU 75 - HG2 GLU 95 lone 1 81 - 2 - HG2 GLU 88 - HG2 GLU 95 lone 1 70 - 2 - HG3 GLU 75 - HG2 GLU 95 lone 1 73 - 2 - HB3 GLN 50 - HG2 GLU 95 lone 1 73 - 1 - HB2 GLN 72 - HG3 GLU 62 lone 1 63 - 1 - HB2 GLN 72 - HG2 GLU 62 lone 1 63 - 1 - HG2 GLU 75 - HG2 GLU 23 lone 1 63 - 1 - HG2 GLU 88 - HG3 GLU 62 lone 1 38 - 2 - HG2 GLU 88 - HG2 GLU 62 lone 1 38 - 2 - HB3 GLN 50 - HG2 GLU 62 lone 1 41 - 1 - HB3 GLN 50 - HG3 GLU 62 lone 1 41 - 1 - HG3 GLU 75 - HG2 GLU 23 lone 0 57 - 1 - HB3 GLN 50 - HG2 GLU 23 lone 0 57 - 0 - HG2 GLU 75 - HG3 GLU 62 lone 0 46 - 0 - HG2 GLU 75 - HG2 GLU 62 lone 0 46 - 0 - HG3 GLU 75 - HG3 GLU 62 lone 0 41 - 0 - HG3 GLU 75 - HG2 GLU 62 lone 0 41 - 0 - Peak 4304 from cnoeabs.peaks (2.27, 2.27, 36.47 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 GLU 95 + HG2 GLU 95 OK 100 100 - 100 HG2 GLU 23 + HG2 GLU 23 OK 86 86 - 100 HG3 GLU 62 + HG3 GLU 62 OK 59 59 - 100 HG2 GLU 62 + HG2 GLU 62 OK 59 59 - 100 Peak 4305 from cnoeabs.peaks (2.52, 2.27, 36.47 ppm; 2.40 A): 1 out of 24 assignments used, quality = 1.00: * HG3 GLU 95 + HG2 GLU 95 OK 100 100 - 100 - 1.8=100 HG3 GLU 95 - HG2 GLU 23 OK 24 87 - 28 - 4311=8, 2.9/4289=3...(10) HG3 GLN 72 - HG2 GLU 95 OK 13 87 - 15 - 4290/2.9=2, 4298/2.9=2...(8) HG3 GLU 63 - HG2 GLU 95 OK 11 92 - 12 - 2795/2.9=2, 3.0/4302=1...(4) HG3 GLU 95 - HG3 GLU 62 OK 11 66 - 16 - 4311=4, 4311/1.8=3...(5) HG3 GLU 95 - HG2 GLU 62 OK 11 66 - 16 - 4311=4, 4311/1.8=3...(5) HG2 MET 74 - HG2 GLU 95 lone 7 100 - 7 - 4290/2.9=1, ~3362=1 HG3 GLN 72 - HG2 GLU 23 lone 2 69 - 4 - HG3 GLU 63 - HG3 GLU 62 lone 2 55 - 4 - 4.8/7018=2 HG3 GLU 63 - HG2 GLU 62 lone 2 55 - 4 - 4.8/7018=2 HB2 ASP 61 - HG3 GLU 62 lone 2 41 - 5 - 4.4/7008=3, ~9450=2 HB2 ASP 61 - HG2 GLU 62 lone 2 41 - 5 - 4.4/7008=3, ~9450=2 HG2 MET 74 - HG2 GLU 62 lone 1 65 - 2 - HG2 MET 74 - HG3 GLU 62 lone 1 65 - 2 - HG3 GLU 63 - HG2 GLU 23 lone 1 74 - 2 - HG2 MET 74 - HG2 GLU 23 lone 1 86 - 1 - HB2 ASP 61 - HG2 GLU 95 lone 1 73 - 1 - HB2 ASP 61 - HG2 GLU 23 lone 1 57 - 1 - HB3 ASP 36 - HG2 GLU 62 lone 1 33 - 2 - 4.0/6574=1 HB3 ASP 36 - HG3 GLU 62 lone 1 33 - 2 - 4.0/6574=1 HB3 ASP 36 - HG2 GLU 95 lone 1 61 - 1 - HB3 ASP 36 - HG2 GLU 23 lone 0 47 - 1 - HG3 GLN 72 - HG2 GLU 62 lone 0 51 - 1 - HG3 GLN 72 - HG3 GLU 62 lone 0 51 - 1 - Peak 4306 from cnoeabs.peaks (8.21, 2.27, 36.47 ppm; 4.76 A): 5 out of 16 assignments used, quality = 0.95: * H PHE 96 + HG2 GLU 95 OK 64 100 - 64 - 3.6/4278=18, 4291/2.9=17...(6) H SER 97 + HG2 GLU 95 OK 56 99 - 56 - 7568/4.1=24, 4313/1.8=12...(6) H GLU 104 + HG2 GLU 95 OK 38 99 - 38 - 4313/1.8=8, 4291/2.9=7...(7) H PHE 96 + HG2 GLU 23 OK 31 87 - 36 - 3.6/4278=8, 4.6/4289=7...(9) H GLU 104 + HG2 GLU 23 OK 31 85 - 37 - 7554=5, 7656/5.0=5...(12) H SER 97 - HG2 GLU 23 OK 26 85 - 31 - 10060/1.8=10...(8) H GLU 104 - HG2 GLU 62 OK 23 64 - 36 - ~2742=6, ~2735=5, 7554=5...(10) H GLU 104 - HG3 GLU 62 OK 23 64 - 36 - ~2742=6, ~2735=5, 7554=5...(10) H PHE 96 - HG3 GLU 62 OK 17 66 - 26 - 3.6/4278=6, 4.5/7541=5...(6) H PHE 96 - HG2 GLU 62 OK 17 66 - 26 - 3.6/4278=6, 4.5/7541=5...(6) H SER 97 - HG3 GLU 62 poor 6 64 - 10 - 7568/4278=2, 4.6/7554=2...(4) H SER 97 - HG2 GLU 62 poor 6 64 - 10 - 7568/4278=2, 4.6/7554=2...(4) H GLU 43 - HG2 GLU 95 lone 6 61 - 10 - 7543/4.8=2, 4313/1.8=1...(5) H GLU 43 - HG2 GLU 62 lone 2 33 - 7 - 3.6/10345=3 H GLU 43 - HG3 GLU 62 lone 2 33 - 7 - 3.6/10345=3 H GLU 43 - HG2 GLU 23 lone 2 47 - 4 - Peak 4307 from cnoeabs.peaks (8.36, 2.52, 36.47 ppm; 3.51 A): 3 out of 3 assignments used, quality = 0.87: * H GLU 95 + HG3 GLU 95 OK 80 100 - 80 - 4.8=39, 3.0/4308=19...(11) H ILE 93 + HG3 GLU 95 OK 25 100 - 26 - 4285/2.9=6, 4293/2.9=5...(6) H TYR 4 + HG3 GLU 95 OK 11 100 - 10 - 4285/2.9=3, 4300/1.8=2...(4) Peak 4308 from cnoeabs.peaks (4.02, 2.52, 36.47 ppm; 3.67 A): 1 out of 3 assignments used, quality = 0.95: * HA GLU 95 + HG3 GLU 95 OK 95 100 - 95 - 4.1=71, 3.0/4309=22...(18) HA LEU 70 - HG3 GLU 95 OK 22 100 - 22 - 4286/2.9=6, 7538/4.8=4...(5) HB3 SER 59 - HG3 GLU 95 OK 10 81 - 12 - 4.6/9411=4, 4286/2.9=2...(4) Peak 4309 from cnoeabs.peaks (2.20, 2.52, 36.47 ppm; 2.91 A): 1 out of 10 assignments used, quality = 1.00: * HB2 GLU 95 + HG3 GLU 95 OK 100 100 - 100 - 2.9=100 HB2 GLU 63 - HG3 GLU 95 OK 23 97 - 24 - 2777=4, 4302/1.8=3...(10) HG2 GLU 98 - HG3 GLU 95 lone 7 90 - 8 - 4276/4.1=2, 4295/2.9=1 HG2 GLU 35 - HG3 GLU 95 lone 6 96 - 6 - 4.9/8777=1 HG3 GLU 35 - HG3 GLU 95 lone 6 96 - 6 - 4.9/8777=1 HG2 MET 1 - HG3 GLU 95 lone 3 98 - 3 - HG3 PRO 86 - HG3 GLU 95 lone 3 94 - 3 - HB3 GLU 75 - HG3 GLU 95 lone 3 77 - 4 - HG2 GLU 99 - HG3 GLU 95 lone 3 70 - 4 - HG2 GLU 43 - HG3 GLU 95 lone 2 73 - 3 - Peak 4310 from cnoeabs.peaks (2.16, 2.52, 36.47 ppm; 3.13 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLU 95 + HG3 GLU 95 OK 100 100 - 100 - 2.9=100 HB3 GLU 23 - HG3 GLU 95 OK 44 99 - 45 - 4288/2.9=6, 2.9/4311=5...(20) HB2 GLN 72 - HG3 GLU 95 OK 35 99 - 36 - 3196=5, 1.8/3205=4...(16) HB3 GLU 16 - HG3 GLU 95 OK 13 97 - 13 - 4288/2.9=2, 4298=1 HG2 GLU 104 - HG3 GLU 95 lone 7 90 - 8 - 4.9/4313=2 HG2 GLU 75 - HG3 GLU 95 lone 3 81 - 4 - 5.0/7237=1 HG3 GLU 75 - HG3 GLU 95 lone 3 73 - 4 - 5.0/7237=1 HB3 GLN 50 - HG3 GLU 95 lone 2 73 - 3 - HG2 GLU 88 - HG3 GLU 95 lone 2 70 - 2 - Peak 4311 from cnoeabs.peaks (2.27, 2.52, 36.47 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 95 + HG3 GLU 95 OK 100 100 - 100 - 1.8=100 HG2 GLU 23 - HG3 GLU 95 OK 26 100 - 26 - 4305=6, 4289/2.9=3...(10) HG3 GLU 62 - HG3 GLU 95 OK 13 96 - 14 - 4305=3, 4289/2.9=2...(5) HG2 GLU 62 - HG3 GLU 95 OK 13 96 - 14 - 4305=3, 4289/2.9=2...(5) HG2 GLU 37 - HG3 GLU 95 lone 1 84 - 1 - Peak 4312 from cnoeabs.peaks (2.52, 2.52, 36.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 95 + HG3 GLU 95 OK 100 100 - 100 Peak 4313 from cnoeabs.peaks (8.21, 2.52, 36.47 ppm; 5.01 A): 3 out of 4 assignments used, quality = 0.94: * H PHE 96 + HG3 GLU 95 OK 76 100 - 76 - 3.6/4308=30, 4.6/4309=24...(8) H SER 97 + HG3 GLU 95 OK 59 99 - 59 - 7568/4.1=27, 7544/4.8=12...(8) H GLU 104 + HG3 GLU 95 OK 41 99 - 41 - 7555=8, 4291/2.9=7...(11) H GLU 43 - HG3 GLU 95 poor 7 61 - 11 - 7543/4.8=2, 4280/4.1=1 Peak 4314 from cnoeabs.peaks (8.21, 4.51, 59.61 ppm; 3.61 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 96 + HA PHE 96 OK 100 100 - 100 - 3.0=100 H SER 97 + HA PHE 96 OK 99 99 - 100 - 3.6=100 H GLU 104 - HA PHE 96 OK 26 99 - 25 - 7556=8, 7558/3.0=6...(7) H GLU 43 - HA PHE 96 lone 1 61 - 2 - Peak 4315 from cnoeabs.peaks (4.51, 4.51, 59.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 96 + HA PHE 96 OK 100 100 - 100 Peak 4316 from cnoeabs.peaks (3.10, 4.51, 59.61 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PHE 96 + HA PHE 96 OK 100 100 - 100 - 3.0=100 HB2 TRP 92 - HA PHE 96 OK 36 100 - 36 - 7557/3.0=8, 4337/3.0=7...(9) HD3 ARG 30 - HA PHE 96 poor 8 77 - 10 - 2.9/4322=2, 4337/3.0=1...(4) Peak 4317 from cnoeabs.peaks (3.47, 4.51, 59.61 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 96 + HA PHE 96 OK 100 100 - 100 - 3.0=100 Peak 4318 from cnoeabs.peaks (7.03, 4.51, 59.61 ppm; 3.38 A): 2 out of 2 assignments used, quality = 0.90: HD2 PHE 96 + HA PHE 96 OK 69 100 - 69 - 4.2=52, 2.5/11016=10...(9) * HD1 PHE 96 + HA PHE 96 OK 67 100 - 67 - 4.3=49, 2.5/11016=11...(9) Peak 4321 from cnoeabs.peaks (8.22, 4.51, 59.61 ppm; 3.61 A): 2 out of 3 assignments used, quality = 1.00: * H SER 97 + HA PHE 96 OK 100 100 - 100 - 3.6=100 H PHE 96 + HA PHE 96 OK 99 99 - 100 - 3.0=100 H GLU 104 - HA PHE 96 OK 25 100 - 25 - 7556=7, 7558/3.0=6...(7) Peak 4322 from cnoeabs.peaks (7.79, 4.51, 59.61 ppm; 4.82 A): 2 out of 6 assignments used, quality = 0.82: * H GLU 99 + HA PHE 96 OK 79 100 - 80 - 7599=41, 4.6/7585=19...(12) HE ARG 30 + HA PHE 96 OK 11 99 - 10 - 2.9/4316=2, 7580/3.6=2...(4) H GLU 28 - HA PHE 96 lone 8 99 - 8 - 7580/3.6=5, 7595/7585=1 H LYS 20 - HA PHE 96 lone 7 100 - 7 - 7580/3.6=4, 7595/7585=1 H LYS 66 - HA PHE 96 lone 4 95 - 4 - 7580/3.6=2 H SER 9 - HA PHE 96 lone 1 69 - 2 - Peak 4323 from cnoeabs.peaks (2.04, 4.51, 59.61 ppm; 4.23 A): 5 out of 8 assignments used, quality = 0.94: HB2 GLU 98 + HA PHE 96 OK 49 100 - 50 - 4.0/7585=17, 4.6/7599=16...(6) HB3 GLU 98 + HA PHE 96 OK 49 100 - 49 - 4.0/7585=17, 4.6/7599=16...(6) * HB2 GLU 99 + HA PHE 96 OK 43 100 - 44 - 3.9/7599=19, 4413=9...(8) HB3 GLU 99 + HA PHE 96 OK 43 98 - 44 - 3.9/7599=19, 4413=10...(8) HG12 ILE 93 + HA PHE 96 OK 25 98 - 26 - 12247/3.0=6, ~10997=6...(6) HB3 GLU 48 - HA PHE 96 lone 8 99 - 8 - 3.0/10181=3, 1.8/10620=2, 4405=1 HB2 MET 74 - HA PHE 96 lone 1 61 - 2 - ~7555=1 HB2 MET 21 - HA PHE 96 lone 1 97 - 1 - Peak 4324 from cnoeabs.peaks (2.04, 4.51, 59.61 ppm; 4.23 A): 5 out of 9 assignments used, quality = 0.94: HB3 GLU 98 + HA PHE 96 OK 48 98 - 50 - 4.0/7585=17, 4.6/7599=16...(6) HB2 GLU 98 + HA PHE 96 OK 48 97 - 49 - 4.0/7585=17, 4.6/7599=16...(6) * HB3 GLU 99 + HA PHE 96 OK 44 100 - 44 - 3.9/7599=19, 4413=11...(8) HB2 GLU 99 + HA PHE 96 OK 43 98 - 44 - 3.9/7599=19, 4413=9...(8) HG12 ILE 93 + HA PHE 96 OK 28 100 - 28 - 12247/3.0=8, ~10997=6...(7) HB3 LYS 94 - HA PHE 96 poor 9 77 - 12 - ~4181=6, ~7549=4 HB3 GLU 48 - HA PHE 96 lone 7 91 - 7 - 3.0/10181=3, 1.8/10620=2, 4405=1 HB2 GLN 50 - HA PHE 96 lone 1 80 - 2 - HB2 MET 21 - HA PHE 96 lone 1 83 - 1 - Peak 4325 from cnoeabs.peaks (3.54, 3.10, 40.43 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.89: * HA ILE 93 + HB2 PHE 96 OK 89 100 - 89 - 4128/1.8=39, 4127=35...(15) Peak 4326 from cnoeabs.peaks (8.21, 3.10, 40.43 ppm; 3.68 A): 2 out of 4 assignments used, quality = 0.99: * H PHE 96 + HB2 PHE 96 OK 90 100 - 90 - 4.1=74, 7558/1.8=34...(13) H SER 97 + HB2 PHE 96 OK 87 99 - 87 - 4.2=69, 7572/1.8=33...(9) H GLU 104 - HB2 PHE 96 OK 26 99 - 26 - 7558/1.8=8, 7557=7...(6) H GLU 43 - HB2 PHE 96 lone 1 61 - 2 - Peak 4327 from cnoeabs.peaks (4.51, 3.10, 40.43 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 96 + HB2 PHE 96 OK 100 100 - 100 - 3.0=100 HA PHE 45 - HB2 PHE 96 OK 26 97 - 27 - 4336/1.8=8, 7556/4.1=4...(8) Peak 4328 from cnoeabs.peaks (3.10, 3.10, 40.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 96 + HB2 PHE 96 OK 100 100 - 100 Peak 4329 from cnoeabs.peaks (3.47, 3.10, 40.43 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 96 + HB2 PHE 96 OK 100 100 - 100 - 1.8=100 Peak 4330 from cnoeabs.peaks (7.03, 3.10, 40.43 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HD1 PHE 96 + HB2 PHE 96 OK 100 100 - 100 - 3.7=100 HD2 PHE 96 + HB2 PHE 96 OK 100 100 - 100 - 3.7=100 Peak 4333 from cnoeabs.peaks (8.22, 3.10, 40.43 ppm; 3.68 A): 2 out of 3 assignments used, quality = 0.99: H PHE 96 + HB2 PHE 96 OK 89 99 - 90 - 4.1=74, 7558/1.8=33...(11) * H SER 97 + HB2 PHE 96 OK 87 100 - 87 - 4.2=69, 7572/1.8=33...(9) H GLU 104 - HB2 PHE 96 OK 25 100 - 25 - 7558/1.8=8, 7557=7...(6) Peak 4334 from cnoeabs.peaks (3.54, 3.47, 40.43 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.90: * HA ILE 93 + HB3 PHE 96 OK 90 100 - 90 - 4128=50, 4325/1.8=38...(13) Peak 4335 from cnoeabs.peaks (8.21, 3.47, 40.43 ppm; 3.60 A): 2 out of 4 assignments used, quality = 0.98: * H PHE 96 + HB3 PHE 96 OK 86 100 - 86 - 4.1=70, 7557/1.8=22...(10) H SER 97 + HB3 PHE 96 OK 85 99 - 85 - 4.2=64, 7571/1.8=26...(8) H GLU 104 - HB3 PHE 96 OK 26 99 - 26 - 7558=10, 7557/1.8=5...(7) H GLU 43 - HB3 PHE 96 lone 1 61 - 2 - Peak 4336 from cnoeabs.peaks (4.51, 3.47, 40.43 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 96 + HB3 PHE 96 OK 100 100 - 100 - 3.0=100 HA PHE 45 - HB3 PHE 96 OK 22 97 - 23 - 4327/1.8=7, 7556/4.1=4...(8) Peak 4337 from cnoeabs.peaks (3.10, 3.47, 40.43 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PHE 96 + HB3 PHE 96 OK 100 100 - 100 - 1.8=100 HB2 TRP 92 - HB3 PHE 96 OK 31 100 - 31 - 9987/10050=7, 4316/3.0=6...(9) HD3 ARG 30 - HB3 PHE 96 lone 6 77 - 8 - 4316/3.0=1 Peak 4338 from cnoeabs.peaks (3.47, 3.47, 40.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 96 + HB3 PHE 96 OK 100 100 - 100 Peak 4339 from cnoeabs.peaks (7.03, 3.47, 40.43 ppm; 3.93 A): 2 out of 2 assignments used, quality = 1.00: * HD1 PHE 96 + HB3 PHE 96 OK 100 100 - 100 - 3.7=100 HD2 PHE 96 + HB3 PHE 96 OK 100 100 - 100 - 3.7=100 Peak 4342 from cnoeabs.peaks (8.22, 3.47, 40.43 ppm; 3.60 A): 2 out of 3 assignments used, quality = 0.98: H PHE 96 + HB3 PHE 96 OK 86 99 - 86 - 4.1=70, 7557/1.8=22...(8) * H SER 97 + HB3 PHE 96 OK 85 100 - 85 - 4.2=64, 7571/1.8=27...(7) H GLU 104 - HB3 PHE 96 OK 25 100 - 25 - 7558=10, 7557/1.8=5...(7) Peak 4343 from cnoeabs.peaks (8.22, 3.82, 60.49 ppm; 3.58 A): 1 out of 3 assignments used, quality = 1.00: * H SER 97 + HA SER 97 OK 100 100 - 100 - 3.0=100 H PHE 96 - HA SER 97 OK 34 99 - 34 - 7586/3.6=10, 4356/3.0=8...(7) H GLU 104 - HA SER 97 OK 19 100 - 19 - 4.3/10070=4, 3.6/10115=3...(7) Peak 4344 from cnoeabs.peaks (3.82, 3.82, 60.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 97 + HA SER 97 OK 100 100 - 100 Peak 4345 from cnoeabs.peaks (3.95, 3.82, 60.49 ppm; 3.00 A): 1 out of 2 assignments used, quality = 0.99: * HB2 SER 97 + HA SER 97 OK 99 100 - 99 - 3.0=97, 1.8/4346=28...(12) HA GLU 44 - HA SER 97 lone 3 84 - 3 - Peak 4346 from cnoeabs.peaks (3.98, 3.82, 60.49 ppm; 2.93 A): 1 out of 5 assignments used, quality = 0.97: * HB3 SER 97 + HA SER 97 OK 97 100 - 97 - 3.0=91, 1.8/4345=32...(11) HD2 PRO 86 - HA SER 97 lone 8 97 - 8 - 7578/3.0=1, 4353/3.0=1 HD3 PRO 86 - HA SER 97 lone 8 96 - 8 - 7578/3.0=1, 4353/3.0=1 HA GLU 69 - HA SER 97 lone 4 90 - 5 - HA GLU 75 - HA SER 97 lone 1 70 - 1 - Peak 4347 from cnoeabs.peaks (7.66, 3.82, 60.49 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 98 + HA SER 97 OK 100 100 - 100 - 3.6=100 Peak 4348 from cnoeabs.peaks (8.14, 3.82, 60.49 ppm; 6.40 A): 3 out of 4 assignments used, quality = 0.83: * H GLY 100 + HA SER 97 OK 78 100 - 78 - 7616=29, 7596/3.6=27...(9) H ASP 87 + HA SER 97 OK 14 97 - 14 - 7596/3.6=5, 7381/3.0=2 H TRP 92 + HA SER 97 OK 12 100 - 12 - 7596/3.6=4, 8075/10066=2 H HIS 106 - HA SER 97 poor 9 73 - 13 - 7596/3.6=7, 11026/11022=3 Peak 4349 from cnoeabs.peaks (3.87, 3.95, 63.02 ppm; 3.54 A): 3 out of 9 assignments used, quality = 0.77: * HA LYS 94 + HB2 SER 97 OK 63 100 - 63 - 4182=36, 4183/1.8=21...(9) HA2 GLY 100 + HB2 SER 97 OK 26 100 - 26 - 4355/1.8=6, ~7616=6...(7) HA ALA 67 + HB2 SER 97 OK 15 87 - 17 - 2.1/10078=4, 4355/1.8=4...(7) HA2 GLY 101 - HB2 SER 97 lone 8 100 - 8 - 4355/1.8=2...(3) HA LEU 38 - HB2 SER 97 lone 8 96 - 8 - 4355/1.8=2, ~9060=2, 7566/4.1=1 HA LYS 40 - HB2 SER 97 lone 7 100 - 7 - 4355/1.8=2, 7566/4.1=1 HA LYS 12 - HB2 SER 97 lone 4 90 - 5 - HA GLU 43 - HB2 SER 97 lone 4 70 - 5 - ~9060=1 HB3 SER 49 - HB2 SER 97 lone 3 94 - 3 - Peak 4350 from cnoeabs.peaks (8.22, 3.95, 63.02 ppm; 3.58 A): 2 out of 3 assignments used, quality = 0.95: * H SER 97 + HB2 SER 97 OK 91 100 - 91 - 4.1=68, 7578/1.8=35...(9) H PHE 96 + HB2 SER 97 OK 42 99 - 42 - 4.6/7577=18, 4356/1.8=11...(7) H GLU 104 - HB2 SER 97 OK 13 100 - 12 - 4343/3.0=3, 4356/1.8=3...(5) Peak 4351 from cnoeabs.peaks (3.82, 3.95, 63.02 ppm; 3.03 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 97 + HB2 SER 97 OK 100 100 - 100 - 3.0=100 HA ALA 22 - HB2 SER 97 OK 12 92 - 13 - 4357/1.8=2...(4) HA ARG 19 - HB2 SER 97 OK 10 97 - 10 - 4357/1.8=2, 7576/4.1=1...(6) HA LYS 68 - HB2 SER 97 lone 8 90 - 9 - 4357/1.8=2, 4.9/10078=1...(4) HB3 SER 102 - HB2 SER 97 lone 6 98 - 6 - 10109/8092=1, 4357/1.8=1 Peak 4352 from cnoeabs.peaks (3.95, 3.95, 63.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 97 + HB2 SER 97 OK 100 100 - 100 Peak 4353 from cnoeabs.peaks (3.98, 3.95, 63.02 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HB3 SER 97 + HB2 SER 97 OK 100 100 - 100 - 1.8=100 HD2 PRO 86 - HB2 SER 97 lone 5 97 - 5 - 4346/3.0=1 HD3 PRO 86 - HB2 SER 97 lone 5 96 - 5 - 4346/3.0=1 HA GLU 69 - HB2 SER 97 lone 2 90 - 3 - HA GLU 75 - HB2 SER 97 lone 0 70 - 1 - Peak 4354 from cnoeabs.peaks (7.66, 3.95, 63.02 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 98 + HB2 SER 97 OK 100 100 - 100 - 4.5=100 Peak 4355 from cnoeabs.peaks (3.87, 3.98, 63.02 ppm; 3.73 A): 3 out of 9 assignments used, quality = 0.77: * HA LYS 94 + HB3 SER 97 OK 62 100 - 62 - 4182/1.8=29, 4183=28...(8) HA2 GLY 100 + HB3 SER 97 OK 27 100 - 27 - 4349/1.8=7, ~7616=6...(6) HA ALA 67 + HB3 SER 97 OK 16 87 - 19 - 2.1/10073=5, 4349/1.8=4...(7) HA LEU 38 - HB3 SER 97 lone 8 96 - 9 - 4349/1.8=2, 3.0/9060=2 HA2 GLY 101 - HB3 SER 97 lone 7 100 - 7 - 4349/1.8=2...(3) HA LYS 40 - HB3 SER 97 lone 7 100 - 7 - 4349/1.8=2, 7566/4.1=1 HA LYS 12 - HB3 SER 97 lone 4 90 - 4 - 4349/1.8=1 HA GLU 43 - HB3 SER 97 lone 4 70 - 5 - 3.0/9060=2, 4349/1.8=1 HB3 SER 49 - HB3 SER 97 lone 3 94 - 3 - Peak 4356 from cnoeabs.peaks (8.22, 3.98, 63.02 ppm; 3.52 A): 2 out of 3 assignments used, quality = 0.95: * H SER 97 + HB3 SER 97 OK 92 100 - 92 - 4.1=65, 7577/1.8=40...(7) H PHE 96 + HB3 SER 97 OK 41 99 - 42 - 4.6/7578=15, 4350/1.8=10...(8) H GLU 104 - HB3 SER 97 OK 12 100 - 12 - 4343/3.0=3, 4350/1.8=3...(4) Peak 4357 from cnoeabs.peaks (3.82, 3.98, 63.02 ppm; 3.06 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 97 + HB3 SER 97 OK 100 100 - 100 - 3.0=100 HA ALA 22 - HB3 SER 97 poor 10 92 - 11 - 4351/1.8=3, 7576/4.1=1 HA ARG 19 - HB3 SER 97 poor 10 97 - 10 - 4351/1.8=3, 7576/4.1=1...(6) HA LYS 68 - HB3 SER 97 lone 9 90 - 10 - 4351/1.8=2, 4.9/10073=1...(5) HB3 SER 102 - HB3 SER 97 lone 5 98 - 5 - 4351/1.8=1 Peak 4358 from cnoeabs.peaks (3.95, 3.98, 63.02 ppm; 2.46 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 97 + HB3 SER 97 OK 100 100 - 100 - 1.8=100 HA GLU 44 - HB3 SER 97 lone 2 84 - 2 - Peak 4359 from cnoeabs.peaks (3.98, 3.98, 63.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 97 + HB3 SER 97 OK 100 100 - 100 Peak 4360 from cnoeabs.peaks (7.66, 3.98, 63.02 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 98 + HB3 SER 97 OK 100 100 - 100 - 4.5=100 Peak 4361 from cnoeabs.peaks (7.66, 4.19, 57.07 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 98 + HA GLU 98 OK 100 100 - 100 - 2.9=100 Peak 4362 from cnoeabs.peaks (4.19, 4.19, 57.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 98 + HA GLU 98 OK 100 100 - 100 Peak 4363 from cnoeabs.peaks (2.04, 4.19, 57.07 ppm; 3.15 A): 4 out of 10 assignments used, quality = 1.00: * HB2 GLU 98 + HA GLU 98 OK 100 100 - 100 - 3.0=100 HB3 GLU 98 + HA GLU 98 OK 100 100 - 100 - 3.0=100 HB2 GLU 99 + HA GLU 98 OK 48 100 - 48 - 3.0/4365=7, 4370=6...(18) HB3 GLU 99 + HA GLU 98 OK 47 97 - 49 - 3.0/4365=7, 7609/3.6=5...(18) HB3 GLU 48 - HA GLU 98 lone 7 100 - 7 - HG12 ILE 93 - HA GLU 98 lone 5 97 - 5 - ~11021=2 HB2 MET 21 - HA GLU 98 lone 2 98 - 2 - HG2 GLU 28 - HA GLU 98 lone 1 61 - 2 - HG3 GLU 28 - HA GLU 98 lone 1 61 - 2 - HB2 MET 74 - HA GLU 98 lone 1 65 - 1 - Peak 4364 from cnoeabs.peaks (2.04, 4.19, 57.07 ppm; 3.15 A): 4 out of 8 assignments used, quality = 1.00: * HB3 GLU 98 + HA GLU 98 OK 100 100 - 100 - 3.0=100 HB2 GLU 98 + HA GLU 98 OK 100 100 - 100 - 3.0=100 HB2 GLU 99 + HA GLU 98 OK 48 100 - 48 - 3.0/4365=7, 4370=6...(18) HB3 GLU 99 + HA GLU 98 OK 48 98 - 49 - 3.0/4365=7, 7610/3.6=5...(18) HB3 GLU 48 - HA GLU 98 lone 7 99 - 7 - HG12 ILE 93 - HA GLU 98 lone 5 98 - 5 - ~11021=2 HB2 MET 21 - HA GLU 98 lone 2 97 - 2 - HB2 MET 74 - HA GLU 98 lone 1 61 - 1 - Peak 4365 from cnoeabs.peaks (2.21, 4.19, 57.07 ppm; 3.30 A): 3 out of 7 assignments used, quality = 0.95: * HG2 GLU 98 + HA GLU 98 OK 87 100 - 87 - 3.9=62, 1.8/4366=30...(12) HG2 GLU 99 + HA GLU 98 OK 47 98 - 49 - 4385=9, 7611/3.6=8...(18) HB2 GLU 95 + HA GLU 98 OK 27 90 - 30 - ~4281=8, ~7583=7...(11) HB2 GLU 63 - HA GLU 98 lone 1 65 - 1 - HG2 MET 1 - HA GLU 98 lone 1 70 - 1 - HG2 GLU 35 - HA GLU 98 lone 0 61 - 1 - HG3 GLU 35 - HA GLU 98 lone 0 61 - 1 - Peak 4366 from cnoeabs.peaks (2.47, 4.19, 57.07 ppm; 3.42 A): 1 out of 4 assignments used, quality = 0.90: * HG3 GLU 98 + HA GLU 98 OK 90 100 - 90 - 3.9=69, 7594/2.9=24...(19) HD2 ARG 91 - HA GLU 98 lone 4 84 - 5 - 7594/2.9=1, 7607/3.6=1 HB3 TYR 4 - HA GLU 98 lone 3 77 - 4 - 7607/3.6=1 HG3 GLU 23 - HA GLU 98 lone 3 70 - 4 - 7594/2.9=1 Peak 4367 from cnoeabs.peaks (7.79, 4.19, 57.07 ppm; 3.80 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 99 + HA GLU 98 OK 100 100 - 100 - 3.6=100 H LYS 20 - HA GLU 98 OK 11 100 - 11 - 7595/2.9=3, 3.6/11022=2 H GLU 28 - HA GLU 98 lone 9 99 - 9 - 7595/2.9=4, 4397/3.9=2 H LYS 66 - HA GLU 98 lone 5 96 - 5 - 7595/2.9=1 HE ARG 30 - HA GLU 98 lone 4 99 - 4 - 7595/2.9=1 H SER 9 - HA GLU 98 lone 1 70 - 1 - Peak 4368 from cnoeabs.peaks (4.02, 2.04, 29.32 ppm; 3.66 A): 4 out of 15 assignments used, quality = 0.85: * HA GLU 95 + HB2 GLU 98 OK 48 100 - 48 - 7583/4.0=17, 4283=12...(8) HA GLU 95 + HB3 GLU 98 OK 47 100 - 48 - 7583/4.0=17, 4283=12...(8) HA GLU 95 + HB2 GLU 99 OK 30 100 - 30 - 7598/3.9=11, 4283=8...(6) HA GLU 95 + HB3 GLU 99 OK 24 80 - 30 - 7598/3.9=11, 4283=7...(5) HA LEU 70 - HB2 GLU 98 lone 5 100 - 5 - 7583/4.0=3, 7598/4.6=2 HA LEU 70 - HB3 GLU 98 lone 5 100 - 5 - 7583/4.0=3, 7598/4.6=2 HA LEU 70 - HB2 GLU 99 lone 3 99 - 3 - 7598/3.9=2 HB3 SER 59 - HB3 GLU 48 lone 3 40 - 8 - 9405/3.0=3, ~9404=2, 2687/4.6=1 HA LEU 70 - HB3 GLU 99 lone 3 79 - 3 - 7598/3.9=2 HB3 SER 59 - HB2 GLU 98 lone 2 81 - 2 - HB3 SER 59 - HB3 GLU 98 lone 2 80 - 2 - HA LEU 70 - HB3 GLU 48 lone 1 58 - 2 - HB3 SER 59 - HB2 GLU 99 lone 1 79 - 2 - HA GLU 95 - HB3 GLU 48 lone 1 59 - 2 - HB3 SER 59 - HB3 GLU 99 lone 1 57 - 2 - Peak 4369 from cnoeabs.peaks (7.66, 2.04, 29.32 ppm; 3.37 A): 3 out of 5 assignments used, quality = 0.99: * H GLU 98 + HB2 GLU 98 OK 83 100 - 83 - 4.0=59, 7594/3.0=23...(9) H GLU 98 + HB3 GLU 98 OK 82 100 - 83 - 4.0=59, 7594/3.0=23...(9) H GLU 98 + HB2 GLU 99 OK 54 100 - 55 - 7602/3.9=20, 7592=9...(15) H GLU 98 - HB3 GLU 99 OK 44 80 - 55 - 7602/3.9=20, 7592=9...(15) H GLU 98 - HB3 GLU 48 lone 2 59 - 3 - Peak 4370 from cnoeabs.peaks (4.19, 2.04, 29.32 ppm; 3.57 A): 4 out of 15 assignments used, quality = 1.00: * HA GLU 98 + HB2 GLU 98 OK 100 100 - 100 - 3.0=100 HA GLU 98 + HB3 GLU 98 OK 100 100 - 100 - 3.0=100 HA GLU 98 + HB2 GLU 99 OK 59 100 - 60 - 4365/3.0=9, 4364=8...(22) HA GLU 98 + HB3 GLU 99 OK 48 80 - 60 - 4365/3.0=9, 4364=8...(22) HB3 SER 85 - HB2 GLU 98 OK 12 100 - 11 - 4392/3.0=3, 7590/4.0=2...(4) HB3 SER 85 - HB3 GLU 98 OK 12 100 - 11 - 4392/3.0=3, 7590/4.0=2...(4) HB3 SER 85 - HB2 GLU 99 lone 9 99 - 8 - 7618/4.7=4, 7603/3.9=2 HB3 SER 85 - HB3 GLU 99 lone 7 79 - 8 - 7618/4.7=4, 7603/3.9=2 HA GLU 98 - HB3 GLU 48 lone 6 59 - 9 - ~2233=1, 4364=1 HA LYS 73 - HB2 GLU 99 lone 2 72 - 2 - HA LYS 73 - HB2 GLU 98 lone 1 73 - 2 - HA LYS 73 - HB3 GLU 98 lone 1 73 - 2 - HA LYS 73 - HB3 GLU 99 lone 1 51 - 2 - HA LYS 73 - HB3 GLU 48 lone 1 36 - 2 - HB3 SER 85 - HB3 GLU 48 lone 0 58 - 1 - Peak 4371 from cnoeabs.peaks (2.04, 2.04, 29.32 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 GLU 98 + HB2 GLU 98 OK 100 100 - 100 HB3 GLU 98 + HB3 GLU 98 OK 100 100 - 100 HB2 GLU 99 + HB2 GLU 99 OK 100 100 - 100 HB3 GLU 99 + HB3 GLU 99 OK 74 74 - 100 HB3 GLU 48 + HB3 GLU 48 OK 58 58 - 100 Peak 4372 from cnoeabs.peaks (2.04, 2.04, 29.32 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB2 GLU 98 + HB2 GLU 98 OK 100 100 - 100 HB3 GLU 98 + HB3 GLU 98 OK 100 100 - 100 HB2 GLU 99 + HB2 GLU 99 OK 100 100 - 100 HB3 GLU 99 + HB3 GLU 99 OK 76 76 - 100 HB3 GLU 48 + HB3 GLU 48 OK 57 57 - 100 Reference assignment not found: HB3 GLU 98 - HB2 GLU 98 Peak 4373 from cnoeabs.peaks (2.21, 2.04, 29.32 ppm; 2.72 A): 4 out of 35 assignments used, quality = 1.00: HG2 GLU 99 + HB2 GLU 99 OK 83 97 - 85 - 3.0=76, 1.8/4430=7...(10) * HG2 GLU 98 + HB2 GLU 98 OK 82 100 - 82 - 3.0=73, 4365/3.0=9...(6) HG2 GLU 98 + HB3 GLU 98 OK 82 100 - 82 - 3.0=73, 4365/3.0=9...(6) HG2 GLU 99 + HB3 GLU 99 OK 65 76 - 85 - 3.0=76, 4422/3.0=7...(10) HG2 GLU 98 - HB2 GLU 99 OK 40 100 - 40 - 4402/3.0=5, 7611/3.9=5...(15) HG2 GLU 99 - HB2 GLU 98 OK 39 98 - 40 - 4395/3.0=5, 4365/3.0=5...(16) HG2 GLU 99 - HB3 GLU 98 OK 39 98 - 40 - 4395/3.0=5, 4365/3.0=5...(16) HG2 GLU 98 - HB3 GLU 99 OK 32 80 - 41 - 4402/3.0=5, 7611/3.9=5...(15) HB2 GLU 95 - HB2 GLU 98 OK 18 90 - 20 - 3.0/4368=4, 4365/3.0=3...(9) HB2 GLU 95 - HB3 GLU 98 OK 18 89 - 20 - 3.0/4368=4, 4365/3.0=3...(9) HB2 GLU 95 - HB2 GLU 99 OK 10 88 - 12 - 3.0/4368=3, 7606/3.9=2...(7) HB2 GLU 95 - HB3 GLU 99 poor 8 66 - 12 - 3.0/4283=2, 7606/3.9=2...(7) HG2 GLU 99 - HB3 GLU 48 poor 8 55 - 15 - ~2235=2, 4426/3.0=2...(6) HG2 GLU 98 - HB3 GLU 48 lone 3 59 - 5 - HB2 GLU 63 - HB3 GLU 48 lone 2 31 - 6 - ~2783=1, 2776/1.8=1 HG2 MET 1 - HB3 GLU 48 lone 1 34 - 2 - HB2 GLU 63 - HB2 GLU 98 lone 1 65 - 1 - HB2 GLU 63 - HB3 GLU 98 lone 1 65 - 1 - HB2 GLU 63 - HB2 GLU 99 lone 1 64 - 1 - HG2 MET 1 - HB2 GLU 98 lone 0 70 - 1 - HG2 MET 1 - HB3 GLU 98 lone 0 69 - 1 - HB2 GLU 63 - HB3 GLU 99 lone 0 45 - 1 - HG3 GLU 35 - HB2 GLU 98 lone 0 61 - 1 - HG2 GLU 35 - HB2 GLU 98 lone 0 61 - 1 - HG2 GLU 35 - HB3 GLU 98 lone 0 61 - 1 - HG3 GLU 35 - HB3 GLU 98 lone 0 61 - 1 - HG2 MET 1 - HB2 GLU 99 lone 0 68 - 0 - HB2 GLU 95 - HB3 GLU 48 lone 0 47 - 1 - HG2 MET 1 - HB3 GLU 99 lone 0 48 - 0 - HG3 GLU 35 - HB2 GLU 99 lone 0 60 - 0 - HG2 GLU 35 - HB2 GLU 99 lone 0 60 - 0 - HG3 GLU 35 - HB3 GLU 99 lone 0 42 - 0 - HG2 GLU 35 - HB3 GLU 99 lone 0 42 - 0 - HG2 GLU 35 - HB3 GLU 48 lone 0 29 - 0 - HG3 GLU 35 - HB3 GLU 48 lone 0 29 - 0 - Peak 4374 from cnoeabs.peaks (2.47, 2.04, 29.32 ppm; 3.30 A): 4 out of 20 assignments used, quality = 1.00: * HG3 GLU 98 + HB2 GLU 98 OK 100 100 - 100 - 3.0=100 HG3 GLU 98 + HB3 GLU 98 OK 100 100 - 100 - 3.0=100 HG3 GLU 98 + HB2 GLU 99 OK 58 100 - 58 - 7607/3.9=13, 4394=8...(23) HG3 GLU 98 + HB3 GLU 99 OK 46 80 - 58 - 7607/3.9=13, 4394=8...(23) HG3 GLU 98 - HB3 GLU 48 lone 5 59 - 8 - 4394=1, ~2233=1 HB3 TYR 4 - HB3 GLU 98 lone 5 77 - 6 - HB3 TYR 4 - HB2 GLU 98 lone 5 77 - 6 - HD2 ARG 91 - HB2 GLU 98 lone 5 84 - 5 - 4366/3.0=1 HD2 ARG 91 - HB3 GLU 98 lone 4 83 - 5 - 4366/3.0=1 HD2 ARG 91 - HB2 GLU 99 lone 3 83 - 4 - 4070/4.7=1, 7607/3.9=1 HB3 TYR 4 - HB3 GLU 48 lone 3 38 - 7 - 156/1.8=2, ~142=1...(4) HD2 ARG 91 - HB3 GLU 99 lone 2 60 - 4 - 4070/4.7=1, 7607/3.9=1 HG3 GLU 23 - HB2 GLU 98 lone 2 70 - 3 - HG3 GLU 23 - HB3 GLU 98 lone 2 69 - 3 - HB3 TYR 4 - HB2 GLU 99 lone 2 76 - 3 - HB3 TYR 4 - HB3 GLU 99 lone 1 55 - 3 - HG3 GLU 23 - HB2 GLU 99 lone 1 68 - 2 - HD2 ARG 91 - HB3 GLU 48 lone 1 43 - 2 - HG3 GLU 23 - HB3 GLU 99 lone 1 48 - 2 - HG3 GLU 23 - HB3 GLU 48 lone 0 34 - 1 - Peak 4375 from cnoeabs.peaks (7.79, 2.04, 29.32 ppm; 3.25 A): 4 out of 30 assignments used, quality = 0.99: H GLU 99 + HB2 GLU 99 OK 80 100 - 81 - 3.9=60, 7612/3.0=15...(12) * H GLU 99 + HB2 GLU 98 OK 72 100 - 72 - 4.6=36, 7602/4.0=18...(17) H GLU 99 + HB3 GLU 98 OK 72 100 - 72 - 4.6=36, 7602/4.0=18...(17) H GLU 99 + HB3 GLU 99 OK 64 80 - 81 - 3.9=60, 7612/3.0=15...(12) H LYS 66 - HB2 GLU 99 OK 11 95 - 12 - 7060/3.0=7, 4428/3.0=2...(4) H LYS 66 - HB3 GLU 99 poor 9 72 - 12 - 7060/3.0=7, 4428/3.0=2...(4) H GLU 28 - HB3 GLU 98 lone 7 99 - 7 - 7595/4.0=2, 4367/3.0=1 H LYS 20 - HB2 GLU 98 lone 7 100 - 7 - 7595/4.0=2, 4367/3.0=2 H LYS 20 - HB3 GLU 98 lone 7 100 - 7 - 7595/4.0=2, 4367/3.0=2 H GLU 28 - HB2 GLU 98 lone 7 99 - 7 - 7595/4.0=2, 4367/3.0=1 H GLU 99 - HB3 GLU 48 poor 6 59 - 11 - 7612/3.0=3, 7605=1...(4) H LYS 20 - HB2 GLU 99 lone 6 100 - 6 - 7619/4.7=1, 4398/3.0=1 H LYS 20 - HB3 GLU 99 lone 5 79 - 6 - 7619/4.7=1, 4398/3.0=1 H LYS 66 - HB2 GLU 98 lone 4 96 - 4 - H LYS 66 - HB3 GLU 98 lone 4 95 - 4 - H GLU 28 - HB2 GLU 99 lone 3 99 - 3 - HE ARG 30 - HB2 GLU 98 lone 3 99 - 3 - HE ARG 30 - HB3 GLU 98 lone 3 99 - 3 - H GLU 28 - HB3 GLU 99 lone 3 78 - 3 - HE ARG 30 - HB2 GLU 99 lone 2 98 - 2 - H LYS 20 - HB3 GLU 48 lone 2 58 - 3 - HE ARG 30 - HB3 GLU 99 lone 2 77 - 2 - H SER 9 - HB3 GLU 48 lone 1 34 - 4 - ~2231=1 H LYS 66 - HB3 GLU 48 lone 1 52 - 2 - H SER 9 - HB2 GLU 99 lone 1 68 - 1 - H SER 9 - HB2 GLU 98 lone 1 70 - 1 - H SER 9 - HB3 GLU 98 lone 1 69 - 1 - H GLU 28 - HB3 GLU 48 lone 1 57 - 1 - H SER 9 - HB3 GLU 99 lone 1 48 - 1 - HE ARG 30 - HB3 GLU 48 lone 0 56 - 1 - Peak 4376 from cnoeabs.peaks (4.02, 2.04, 29.32 ppm; 3.66 A): 4 out of 15 assignments used, quality = 0.86: * HA GLU 95 + HB3 GLU 98 OK 47 100 - 48 - 7583/4.0=17, 4283=12...(8) HA GLU 95 + HB2 GLU 98 OK 47 100 - 48 - 7583/4.0=17, 4283=12...(8) HA GLU 95 + HB2 GLU 99 OK 30 100 - 30 - 7598/3.9=11, 4283=8...(6) HA GLU 95 + HB3 GLU 99 OK 25 86 - 30 - 7598/3.9=11, 4283=7...(5) HA LEU 70 - HB3 GLU 98 lone 5 100 - 5 - 7583/4.0=3, 7598/4.6=2 HA LEU 70 - HB2 GLU 98 lone 5 100 - 5 - 7583/4.0=3, 7598/4.6=2 HA LEU 70 - HB2 GLU 99 lone 3 99 - 3 - 7598/3.9=2 HA LEU 70 - HB3 GLU 99 lone 3 85 - 3 - 7598/3.9=2 HB3 SER 59 - HB3 GLU 48 lone 3 38 - 8 - 9405/3.0=3, ~9404=2, 2687/4.6=1 HB3 SER 59 - HB2 GLU 98 lone 2 80 - 2 - HB3 SER 59 - HB3 GLU 98 lone 2 81 - 2 - HA LEU 70 - HB3 GLU 48 lone 1 55 - 2 - HB3 SER 59 - HB2 GLU 99 lone 1 80 - 2 - HA GLU 95 - HB3 GLU 48 lone 1 56 - 2 - HB3 SER 59 - HB3 GLU 99 lone 1 63 - 2 - Peak 4377 from cnoeabs.peaks (7.66, 2.04, 29.32 ppm; 3.37 A): 4 out of 5 assignments used, quality = 0.99: * H GLU 98 + HB3 GLU 98 OK 83 100 - 83 - 4.0=59, 7594/3.0=23...(9) H GLU 98 + HB2 GLU 98 OK 82 100 - 83 - 4.0=59, 7594/3.0=23...(9) H GLU 98 + HB2 GLU 99 OK 55 100 - 55 - 7602/3.9=20, 7592=9...(15) H GLU 98 + HB3 GLU 99 OK 47 86 - 55 - 7602/3.9=20, 7592=9...(15) H GLU 98 - HB3 GLU 48 lone 2 56 - 3 - Peak 4378 from cnoeabs.peaks (4.19, 2.04, 29.32 ppm; 3.57 A): 4 out of 15 assignments used, quality = 1.00: * HA GLU 98 + HB3 GLU 98 OK 100 100 - 100 - 3.0=100 HA GLU 98 + HB2 GLU 98 OK 100 100 - 100 - 3.0=100 HA GLU 98 + HB2 GLU 99 OK 59 100 - 60 - 4365/3.0=9, 4364=8...(22) HA GLU 98 + HB3 GLU 99 OK 52 86 - 60 - 4365/3.0=9, 4364=8...(22) HB3 SER 85 - HB3 GLU 98 OK 12 100 - 11 - 4392/3.0=3, 7590/4.0=2...(4) HB3 SER 85 - HB2 GLU 98 OK 12 100 - 11 - 4392/3.0=3, 7590/4.0=2...(4) HB3 SER 85 - HB2 GLU 99 lone 9 99 - 8 - 7618/4.7=4, 7603/3.9=2 HB3 SER 85 - HB3 GLU 99 lone 7 85 - 8 - 7618/4.7=4, 7603/3.9=2 HA GLU 98 - HB3 GLU 48 lone 5 56 - 9 - ~2233=1, 4364=1 HA LYS 73 - HB2 GLU 99 lone 2 73 - 2 - HA LYS 73 - HB3 GLU 99 lone 1 57 - 2 - HA LYS 73 - HB2 GLU 98 lone 1 73 - 2 - HA LYS 73 - HB3 GLU 98 lone 1 73 - 2 - HA LYS 73 - HB3 GLU 48 lone 1 34 - 1 - HB3 SER 85 - HB3 GLU 48 lone 0 55 - 1 - Peak 4379 from cnoeabs.peaks (2.04, 2.04, 29.32 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 GLU 98 + HB3 GLU 98 OK 100 100 - 100 HB2 GLU 98 + HB2 GLU 98 OK 100 100 - 100 HB2 GLU 99 + HB2 GLU 99 OK 100 100 - 100 HB3 GLU 99 + HB3 GLU 99 OK 80 80 - 100 HB3 GLU 48 + HB3 GLU 48 OK 55 55 - 100 Reference assignment not found: HB2 GLU 98 - HB3 GLU 98 Peak 4380 from cnoeabs.peaks (2.04, 2.04, 29.32 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 GLU 98 + HB3 GLU 98 OK 100 100 - 100 HB2 GLU 98 + HB2 GLU 98 OK 100 100 - 100 HB2 GLU 99 + HB2 GLU 99 OK 100 100 - 100 HB3 GLU 99 + HB3 GLU 99 OK 82 82 - 100 HB3 GLU 48 + HB3 GLU 48 OK 54 54 - 100 Peak 4381 from cnoeabs.peaks (2.21, 2.04, 29.32 ppm; 2.72 A): 4 out of 35 assignments used, quality = 1.00: HG2 GLU 99 + HB2 GLU 99 OK 83 98 - 85 - 3.0=76, 1.8/4430=7...(10) * HG2 GLU 98 + HB3 GLU 98 OK 82 100 - 82 - 3.0=73, 4365/3.0=9...(6) HG2 GLU 98 + HB2 GLU 98 OK 82 100 - 82 - 3.0=73, 4365/3.0=9...(6) HG2 GLU 99 + HB3 GLU 99 OK 70 82 - 85 - 3.0=76, 4422/3.0=7...(10) HG2 GLU 98 - HB2 GLU 99 OK 40 100 - 40 - 4402/3.0=5, 7611/3.9=5...(15) HG2 GLU 99 - HB3 GLU 98 OK 39 98 - 40 - 4395/3.0=5, 4365/3.0=5...(16) HG2 GLU 99 - HB2 GLU 98 OK 39 98 - 40 - 4395/3.0=5, 4365/3.0=5...(16) HG2 GLU 98 - HB3 GLU 99 OK 35 86 - 41 - 4402/3.0=5, 7611/3.9=5...(15) HB2 GLU 95 - HB3 GLU 98 OK 18 90 - 20 - 3.0/4368=4, 4365/3.0=3...(9) HB2 GLU 95 - HB2 GLU 98 OK 18 89 - 20 - 3.0/4368=4, 4365/3.0=3...(9) HB2 GLU 95 - HB2 GLU 99 OK 11 89 - 12 - 3.0/4368=3, 7606/3.9=2...(7) HB2 GLU 95 - HB3 GLU 99 poor 9 72 - 12 - 3.0/4283=2, 7606/3.9=2...(7) HG2 GLU 99 - HB3 GLU 48 poor 8 52 - 15 - ~2235=2, 4426/3.0=2...(6) HG2 GLU 98 - HB3 GLU 48 lone 3 56 - 5 - HB2 GLU 63 - HB3 GLU 48 lone 2 30 - 6 - ~2783=1, 2776/1.8=1 HB2 GLU 63 - HB3 GLU 98 lone 1 65 - 1 - HB2 GLU 63 - HB2 GLU 98 lone 1 65 - 1 - HG2 MET 1 - HB3 GLU 48 lone 1 32 - 2 - HB2 GLU 63 - HB2 GLU 99 lone 1 65 - 1 - HG2 MET 1 - HB3 GLU 98 lone 0 70 - 1 - HG2 MET 1 - HB2 GLU 98 lone 0 69 - 1 - HB2 GLU 63 - HB3 GLU 99 lone 0 50 - 1 - HG3 GLU 35 - HB3 GLU 98 lone 0 61 - 1 - HG2 GLU 35 - HB3 GLU 98 lone 0 61 - 1 - HG2 GLU 35 - HB2 GLU 98 lone 0 61 - 1 - HG3 GLU 35 - HB2 GLU 98 lone 0 61 - 1 - HG2 MET 1 - HB2 GLU 99 lone 0 69 - 0 - HB2 GLU 95 - HB3 GLU 48 lone 0 44 - 1 - HG2 MET 1 - HB3 GLU 99 lone 0 53 - 0 - HG2 GLU 35 - HB2 GLU 99 lone 0 61 - 0 - HG3 GLU 35 - HB2 GLU 99 lone 0 61 - 0 - HG3 GLU 35 - HB3 GLU 99 lone 0 47 - 0 - HG2 GLU 35 - HB3 GLU 99 lone 0 47 - 0 - HG2 GLU 35 - HB3 GLU 48 lone 0 27 - 0 - HG3 GLU 35 - HB3 GLU 48 lone 0 27 - 0 - Peak 4382 from cnoeabs.peaks (2.47, 2.04, 29.32 ppm; 3.30 A): 4 out of 20 assignments used, quality = 1.00: * HG3 GLU 98 + HB3 GLU 98 OK 100 100 - 100 - 3.0=100 HG3 GLU 98 + HB2 GLU 98 OK 100 100 - 100 - 3.0=100 HG3 GLU 98 + HB2 GLU 99 OK 58 100 - 58 - 7607/3.9=13, 4394=8...(23) HG3 GLU 98 + HB3 GLU 99 OK 50 86 - 58 - 7607/3.9=13, 4394=8...(23) HB3 TYR 4 - HB3 GLU 98 lone 5 77 - 6 - HB3 TYR 4 - HB2 GLU 98 lone 5 77 - 6 - HD2 ARG 91 - HB3 GLU 98 lone 5 84 - 5 - 4366/3.0=1 HG3 GLU 98 - HB3 GLU 48 lone 5 56 - 8 - 4394=1, ~2233=1 HD2 ARG 91 - HB2 GLU 98 lone 4 83 - 5 - 4366/3.0=1 HD2 ARG 91 - HB2 GLU 99 lone 3 83 - 4 - 4070/4.7=1, 7607/3.9=1 HB3 TYR 4 - HB3 GLU 48 lone 3 36 - 7 - 156/1.8=2, ~142=1...(4) HD2 ARG 91 - HB3 GLU 99 lone 3 66 - 4 - 4070/4.7=1, 7607/3.9=1 HG3 GLU 23 - HB3 GLU 98 lone 2 70 - 3 - HG3 GLU 23 - HB2 GLU 98 lone 2 69 - 3 - HB3 TYR 4 - HB2 GLU 99 lone 2 76 - 3 - HB3 TYR 4 - HB3 GLU 99 lone 2 60 - 3 - HG3 GLU 23 - HB2 GLU 99 lone 1 69 - 2 - HG3 GLU 23 - HB3 GLU 99 lone 1 53 - 2 - HD2 ARG 91 - HB3 GLU 48 lone 1 40 - 2 - HG3 GLU 23 - HB3 GLU 48 lone 0 32 - 1 - Peak 4383 from cnoeabs.peaks (7.79, 2.04, 29.32 ppm; 3.25 A): 4 out of 30 assignments used, quality = 1.00: H GLU 99 + HB2 GLU 99 OK 80 100 - 81 - 3.9=60, 7612/3.0=15...(12) H GLU 99 + HB2 GLU 98 OK 72 100 - 72 - 4.6=36, 7602/4.0=18...(17) * H GLU 99 + HB3 GLU 98 OK 72 100 - 72 - 4.6=36, 7602/4.0=18...(17) H GLU 99 + HB3 GLU 99 OK 69 86 - 81 - 3.9=60, 7612/3.0=15...(12) H LYS 66 - HB2 GLU 99 OK 11 95 - 12 - 7060/3.0=7, 4428/3.0=2...(4) H LYS 66 - HB3 GLU 99 poor 9 78 - 12 - 7060/3.0=7, 4428/3.0=2...(4) H GLU 28 - HB3 GLU 98 lone 7 99 - 7 - 7595/4.0=2, 4367/3.0=1 H LYS 20 - HB2 GLU 98 lone 7 100 - 7 - 7595/4.0=2, 4367/3.0=2 H LYS 20 - HB3 GLU 98 lone 7 100 - 7 - 7595/4.0=2, 4367/3.0=2 H GLU 28 - HB2 GLU 98 lone 7 99 - 7 - 7595/4.0=2, 4367/3.0=1 H LYS 20 - HB2 GLU 99 lone 6 100 - 6 - 7619/4.7=1, 4398/3.0=1 H GLU 99 - HB3 GLU 48 poor 6 56 - 11 - 7612/3.0=3, 7605=1...(4) H LYS 20 - HB3 GLU 99 lone 5 86 - 6 - 7619/4.7=1, 4398/3.0=1 H LYS 66 - HB2 GLU 98 lone 4 95 - 4 - H LYS 66 - HB3 GLU 98 lone 4 96 - 4 - H GLU 28 - HB2 GLU 99 lone 3 99 - 3 - H GLU 28 - HB3 GLU 99 lone 3 84 - 4 - HE ARG 30 - HB2 GLU 98 lone 3 99 - 3 - HE ARG 30 - HB3 GLU 98 lone 3 99 - 3 - HE ARG 30 - HB2 GLU 99 lone 2 98 - 2 - HE ARG 30 - HB3 GLU 99 lone 2 83 - 2 - H LYS 20 - HB3 GLU 48 lone 2 55 - 3 - H SER 9 - HB3 GLU 48 lone 1 32 - 4 - ~2231=1 H SER 9 - HB2 GLU 99 lone 1 69 - 1 - H LYS 66 - HB3 GLU 48 lone 1 49 - 2 - H SER 9 - HB3 GLU 98 lone 1 70 - 1 - H SER 9 - HB2 GLU 98 lone 1 69 - 1 - H GLU 28 - HB3 GLU 48 lone 1 54 - 1 - H SER 9 - HB3 GLU 99 lone 1 53 - 1 - HE ARG 30 - HB3 GLU 48 lone 0 53 - 1 - Peak 4384 from cnoeabs.peaks (7.66, 2.21, 36.00 ppm; 4.42 A): 2 out of 2 assignments used, quality = 0.98: * H GLU 98 + HG2 GLU 98 OK 94 100 - 94 - 5.2=62, 4391/1.8=42...(11) H GLU 98 + HG2 GLU 99 OK 61 87 - 71 - 7602/4.7=27, 7593=16...(15) Peak 4385 from cnoeabs.peaks (4.19, 2.21, 36.00 ppm; 3.91 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 98 + HG2 GLU 98 OK 100 100 - 100 - 3.9=100 HA GLU 98 + HG2 GLU 99 OK 54 87 - 62 - 4365=14, 3.6/7611=12...(19) HB3 SER 85 - HG2 GLU 98 OK 13 100 - 13 - 4392/1.8=5, 7603/4.9=2...(6) HB3 SER 85 - HG2 GLU 99 lone 9 86 - 10 - 7618/4.7=5, 7603/4.7=2 HA LYS 73 - HG2 GLU 99 lone 2 57 - 3 - HA LYS 73 - HG2 GLU 98 lone 1 73 - 2 - Peak 4386 from cnoeabs.peaks (2.04, 2.21, 36.00 ppm; 2.77 A): 4 out of 20 assignments used, quality = 1.00: * HB2 GLU 98 + HG2 GLU 98 OK 85 100 - 85 - 3.0=78, 3.0/4365=10...(6) HB3 GLU 98 + HG2 GLU 98 OK 85 100 - 85 - 3.0=78, 3.0/4365=10...(6) HB2 GLU 99 + HG2 GLU 99 OK 77 87 - 88 - 3.0=81, 4430/1.8=7...(10) HB3 GLU 99 + HG2 GLU 99 OK 72 81 - 88 - 3.0=81, 3.0/4402=7...(10) HB2 GLU 99 - HG2 GLU 98 OK 41 100 - 41 - 3.0/4402=5, 3.9/7606=5...(15) HB3 GLU 99 - HG2 GLU 98 OK 40 97 - 42 - 3.0/4402=5, 3.9/7606=5...(15) HB2 GLU 98 - HG2 GLU 99 OK 36 87 - 41 - 3.0/4395=6, 3.0/4365=5...(16) HB3 GLU 98 - HG2 GLU 99 OK 35 87 - 41 - 3.0/4395=6, 3.0/4365=5...(16) HB3 GLU 48 - HG2 GLU 99 OK 12 86 - 15 - ~2235=2, 2242/1.8=2...(5) HB3 GLU 48 - HG2 GLU 98 lone 5 100 - 5 - HG12 ILE 93 - HG2 GLU 98 lone 2 97 - 2 - HG12 ILE 93 - HG2 GLU 99 lone 2 81 - 2 - HB2 MET 21 - HG2 GLU 98 lone 1 98 - 1 - HB2 MET 21 - HG2 GLU 99 lone 1 83 - 1 - HG2 GLU 28 - HG2 GLU 98 lone 1 61 - 1 - HG3 GLU 28 - HG2 GLU 98 lone 1 61 - 1 - HB2 MET 74 - HG2 GLU 98 lone 0 65 - 1 - HG2 GLU 28 - HG2 GLU 99 lone 0 47 - 0 - HG3 GLU 28 - HG2 GLU 99 lone 0 47 - 0 - HB2 MET 74 - HG2 GLU 99 lone 0 50 - 0 - Peak 4387 from cnoeabs.peaks (2.04, 2.21, 36.00 ppm; 2.77 A): 4 out of 16 assignments used, quality = 1.00: * HB3 GLU 98 + HG2 GLU 98 OK 85 100 - 85 - 3.0=78, 3.0/4365=10...(6) HB2 GLU 98 + HG2 GLU 98 OK 85 100 - 85 - 3.0=78, 3.0/4365=10...(6) HB2 GLU 99 + HG2 GLU 99 OK 77 87 - 88 - 3.0=81, 4430/1.8=7...(10) HB3 GLU 99 + HG2 GLU 99 OK 73 83 - 88 - 3.0=81, 3.0/4402=7...(10) HB2 GLU 99 - HG2 GLU 98 OK 41 100 - 41 - 3.0/4402=5, 3.9/7606=5...(15) HB3 GLU 99 - HG2 GLU 98 OK 41 98 - 42 - 3.0/4402=5, 3.9/7606=5...(15) HB3 GLU 98 - HG2 GLU 99 OK 36 87 - 41 - 3.0/4395=6, 3.0/4365=5...(16) HB2 GLU 98 - HG2 GLU 99 OK 36 87 - 41 - 3.0/4395=6, 3.0/4365=5...(16) HB3 GLU 48 - HG2 GLU 99 OK 12 85 - 15 - ~2235=2, 2242/1.8=2...(5) HB3 GLU 48 - HG2 GLU 98 lone 5 99 - 5 - HG12 ILE 93 - HG2 GLU 98 lone 2 98 - 2 - HG12 ILE 93 - HG2 GLU 99 lone 2 83 - 2 - HB2 MET 21 - HG2 GLU 98 lone 1 97 - 1 - HB2 MET 21 - HG2 GLU 99 lone 1 81 - 1 - HB2 MET 74 - HG2 GLU 98 lone 0 61 - 1 - HB2 MET 74 - HG2 GLU 99 lone 0 47 - 0 - Peak 4388 from cnoeabs.peaks (2.21, 2.21, 36.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 98 + HG2 GLU 98 OK 100 100 - 100 HG2 GLU 99 + HG2 GLU 99 OK 83 83 - 100 Peak 4389 from cnoeabs.peaks (2.47, 2.21, 36.00 ppm; 2.65 A): 1 out of 8 assignments used, quality = 1.00: * HG3 GLU 98 + HG2 GLU 98 OK 100 100 - 100 - 1.8=100 HG3 GLU 98 - HG2 GLU 99 OK 34 87 - 39 - 4395=12, 7607/4.7=6...(10) HD2 ARG 91 - HG2 GLU 98 lone 2 84 - 3 - HB3 TYR 4 - HG2 GLU 98 lone 2 77 - 3 - HG3 GLU 23 - HG2 GLU 98 lone 1 70 - 2 - HD2 ARG 91 - HG2 GLU 99 lone 1 67 - 2 - HB3 TYR 4 - HG2 GLU 99 lone 1 61 - 1 - HG3 GLU 23 - HG2 GLU 99 lone 1 54 - 1 - Peak 4390 from cnoeabs.peaks (7.79, 2.21, 36.00 ppm; 3.99 A): 2 out of 12 assignments used, quality = 0.97: * H GLU 99 + HG2 GLU 98 OK 88 100 - 88 - 4.9=53, 7607/1.8=31...(17) H GLU 99 + HG2 GLU 99 OK 78 87 - 90 - 4.7=61, 7612/1.8=28...(13) H LYS 66 - HG2 GLU 99 OK 13 79 - 16 - 7060/4.1=7, 4428/1.8=3...(5) H GLU 28 - HG2 GLU 98 lone 10 99 - 10 - 4397/1.8=2, 7595/5.2=2...(4) H LYS 20 - HG2 GLU 98 lone 9 100 - 9 - 4397/1.8=2, 4367/3.9=2 H LYS 20 - HG2 GLU 99 lone 7 86 - 8 - 7619/4.7=2, 4428/1.8=2 H LYS 66 - HG2 GLU 98 lone 7 96 - 7 - 7060/4402=1, 4397/1.8=1 H GLU 28 - HG2 GLU 99 lone 5 85 - 5 - HE ARG 30 - HG2 GLU 98 lone 4 99 - 4 - 4397/1.8=1 HE ARG 30 - HG2 GLU 99 lone 3 84 - 3 - H SER 9 - HG2 GLU 98 lone 1 70 - 2 - H SER 9 - HG2 GLU 99 lone 1 54 - 2 - Peak 4391 from cnoeabs.peaks (7.66, 2.47, 36.00 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.88: * H GLU 98 + HG3 GLU 98 OK 88 100 - 88 - 5.2=51, 2.9/4366=33...(9) Peak 4392 from cnoeabs.peaks (4.19, 2.47, 36.00 ppm; 4.00 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 98 + HG3 GLU 98 OK 100 100 - 100 - 3.9=100 HB3 SER 85 - HG3 GLU 98 OK 15 100 - 14 - 9872=3, 4385/1.8=3...(7) HA LYS 73 - HG3 GLU 98 lone 1 73 - 2 - Peak 4393 from cnoeabs.peaks (2.04, 2.47, 36.00 ppm; 3.39 A): 4 out of 10 assignments used, quality = 1.00: * HB2 GLU 98 + HG3 GLU 98 OK 100 100 - 100 - 3.0=100 HB3 GLU 98 + HG3 GLU 98 OK 100 100 - 100 - 3.0=100 HB2 GLU 99 + HG3 GLU 98 OK 60 100 - 60 - 3.9/7607=14, 3.0/4395=8...(23) HB3 GLU 99 + HG3 GLU 98 OK 58 97 - 60 - 3.9/7607=14, 3.0/4395=8...(23) HB3 GLU 48 - HG3 GLU 98 lone 8 100 - 8 - ~2233=1 HG12 ILE 93 - HG3 GLU 98 lone 3 97 - 3 - HB2 MET 21 - HG3 GLU 98 lone 2 98 - 2 - HG2 GLU 28 - HG3 GLU 98 lone 1 61 - 2 - HG3 GLU 28 - HG3 GLU 98 lone 1 61 - 2 - HB2 MET 74 - HG3 GLU 98 lone 1 65 - 1 - Peak 4394 from cnoeabs.peaks (2.04, 2.47, 36.00 ppm; 3.39 A): 4 out of 8 assignments used, quality = 1.00: * HB3 GLU 98 + HG3 GLU 98 OK 100 100 - 100 - 3.0=100 HB2 GLU 98 + HG3 GLU 98 OK 100 100 - 100 - 3.0=100 HB2 GLU 99 + HG3 GLU 98 OK 60 100 - 60 - 3.9/7607=14, 3.0/4395=8...(23) HB3 GLU 99 + HG3 GLU 98 OK 58 98 - 60 - 3.9/7607=14, 3.0/4395=8...(23) HB3 GLU 48 - HG3 GLU 98 lone 8 99 - 8 - ~2233=1 HG12 ILE 93 - HG3 GLU 98 lone 3 98 - 3 - HB2 MET 21 - HG3 GLU 98 lone 2 97 - 2 - HB2 MET 74 - HG3 GLU 98 lone 1 61 - 1 - Peak 4395 from cnoeabs.peaks (2.21, 2.47, 36.00 ppm; 2.71 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLU 98 + HG3 GLU 98 OK 100 100 - 100 - 1.8=100 HG2 GLU 99 - HG3 GLU 98 OK 40 98 - 41 - 4389=12, 4.7/7607=6...(10) HB2 GLU 95 - HG3 GLU 98 OK 12 90 - 13 - 4365/3.9=2, 7593/5.2=1...(8) HB2 GLU 63 - HG3 GLU 98 lone 1 65 - 1 - HG2 MET 1 - HG3 GLU 98 lone 0 70 - 1 - HG2 GLU 35 - HG3 GLU 98 lone 0 61 - 0 - HG3 GLU 35 - HG3 GLU 98 lone 0 61 - 0 - Peak 4396 from cnoeabs.peaks (2.47, 2.47, 36.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 98 + HG3 GLU 98 OK 100 100 - 100 Peak 4397 from cnoeabs.peaks (7.79, 2.47, 36.00 ppm; 5.03 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 99 + HG3 GLU 98 OK 100 100 - 100 - 4.9=100 H GLU 28 - HG3 GLU 98 OK 14 99 - 14 - 7595/5.2=3, 4367/3.9=3...(4) H LYS 20 - HG3 GLU 98 OK 14 100 - 14 - 7595/5.2=3, 4367/3.9=3...(4) H LYS 66 - HG3 GLU 98 lone 7 96 - 7 - 4367/3.9=1, 4390/1.8=1 HE ARG 30 - HG3 GLU 98 lone 6 99 - 6 - 7595/5.2=1, 4367/3.9=1 H SER 9 - HG3 GLU 98 lone 2 70 - 3 - Peak 4398 from cnoeabs.peaks (7.79, 4.12, 57.30 ppm; 3.71 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 99 + HA GLU 99 OK 100 100 - 100 - 3.0=100 H LYS 66 - HA GLU 99 OK 29 96 - 31 - 7060=14, 4.6/2858=4...(8) H LYS 20 - HA GLU 99 lone 7 100 - 7 - 7619/3.6=2 H GLU 28 - HA GLU 99 lone 5 99 - 5 - HE ARG 30 - HA GLU 99 lone 3 99 - 3 - H SER 9 - HA GLU 99 lone 1 70 - 2 - Peak 4399 from cnoeabs.peaks (4.12, 4.12, 57.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 99 + HA GLU 99 OK 100 100 - 100 Peak 4400 from cnoeabs.peaks (2.04, 4.12, 57.30 ppm; 3.23 A): 4 out of 8 assignments used, quality = 1.00: * HB2 GLU 99 + HA GLU 99 OK 100 100 - 100 - 3.0=100 HB3 GLU 99 + HA GLU 99 OK 98 98 - 100 - 3.0=100 HB2 GLU 98 + HA GLU 99 OK 60 100 - 61 - 4407=8, 3.0/4402=8...(28) HB3 GLU 98 + HA GLU 99 OK 60 100 - 61 - 4407=8, 3.0/4402=8...(28) HB3 GLU 48 - HA GLU 99 OK 16 99 - 16 - 3.0/4403=3, ~2233=2...(6) HG12 ILE 93 - HA GLU 99 lone 3 98 - 3 - HB2 MET 21 - HA GLU 99 lone 2 97 - 3 - HB2 MET 74 - HA GLU 99 lone 0 61 - 1 - Peak 4401 from cnoeabs.peaks (2.04, 4.12, 57.30 ppm; 3.23 A): 4 out of 9 assignments used, quality = 1.00: * HB3 GLU 99 + HA GLU 99 OK 100 100 - 100 - 3.0=100 HB2 GLU 99 + HA GLU 99 OK 98 98 - 100 - 3.0=100 HB3 GLU 98 + HA GLU 99 OK 59 98 - 60 - 4415=8, 3.0/4402=8...(28) HB2 GLU 98 + HA GLU 99 OK 58 97 - 60 - 4407=8, 3.0/4402=8...(28) HB3 GLU 48 - HA GLU 99 OK 15 92 - 16 - 3.0/4403=3, ~2233=2...(5) HB2 GLN 50 - HA GLU 99 lone 5 81 - 6 - 2.9/4403=1 HG12 ILE 93 - HA GLU 99 lone 3 100 - 3 - HB2 MET 21 - HA GLU 99 lone 2 84 - 2 - HB3 LYS 94 - HA GLU 99 lone 2 77 - 2 - Peak 4402 from cnoeabs.peaks (2.22, 4.12, 57.30 ppm; 3.76 A): 2 out of 4 assignments used, quality = 0.98: * HG2 GLU 99 + HA GLU 99 OK 93 100 - 93 - 4.1=77, 1.8/4429=23...(18) HG2 GLU 98 + HA GLU 99 OK 65 98 - 67 - 4422=16, ~7607=14...(21) HB2 GLU 95 - HA GLU 99 OK 16 70 - 23 - ~7598=7, 7606/3.0=4...(8) HB3 GLN 72 - HA GLU 99 lone 5 81 - 6 - 3.0/4403=1 Peak 4403 from cnoeabs.peaks (2.44, 4.12, 57.30 ppm; 4.16 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLU 99 + HA GLU 99 OK 100 100 - 100 - 4.1=100 HG3 GLU 48 - HA GLU 99 OK 26 94 - 28 - 7612/3.0=5, 4429=4...(11) HG3 GLN 50 - HA GLU 99 lone 10 97 - 10 - 7612/3.0=2, 2307/3.0=2...(4) HG3 GLU 17 - HA GLU 99 lone 9 94 - 10 - 7612/3.0=3, 4429=2, 7624/3.6=2 HG2 GLN 72 - HA GLU 99 lone 7 81 - 8 - 7612/3.0=2, 4426/4.1=1...(4) HB2 ASP 11 - HA GLU 99 lone 3 98 - 3 - Peak 4404 from cnoeabs.peaks (8.14, 4.12, 57.30 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: * H GLY 100 + HA GLU 99 OK 100 100 - 100 - 3.6=100 H TRP 92 - HA GLU 99 lone 9 100 - 9 - 7613/3.0=3, 4434/4.1=2...(4) H ASP 87 - HA GLU 99 lone 8 97 - 8 - 7613/3.0=2, 4434/4.1=2 H HIS 106 - HA GLU 99 lone 5 73 - 6 - 7613/3.0=3 Peak 4405 from cnoeabs.peaks (4.51, 2.04, 29.37 ppm; 4.18 A): 8 out of 10 assignments used, quality = 0.94: HA PHE 96 + HB3 GLU 98 OK 49 100 - 49 - 7585/4.0=16, 7599/4.6=16...(6) HA PHE 96 + HB2 GLU 98 OK 49 100 - 49 - 7585/4.0=16, 7599/4.6=16...(6) * HA PHE 96 + HB2 GLU 99 OK 43 100 - 43 - 7599/3.9=18, 4323=10...(8) HA PHE 96 + HB3 GLU 99 OK 37 87 - 43 - 7599/3.9=18, 4323=9...(8) HA PHE 45 + HB3 GLU 48 OK 17 59 - 29 - 10181/3.0=9, 10620/1.8=8...(6) HA PHE 45 + HB3 GLU 98 OK 11 97 - 11 - 7585/4.0=4, 7599/4.6=4 HA PHE 45 + HB2 GLU 98 OK 11 96 - 11 - 7585/4.0=4, 7599/4.6=4 HA PHE 45 + HB2 GLU 99 OK 11 97 - 11 - 7599/3.9=4, 11025/3.0=2 HA PHE 45 - HB3 GLU 99 poor 9 81 - 11 - 7599/3.9=4, 11025/3.0=2 HA PHE 96 - HB3 GLU 48 lone 5 64 - 8 - 10181/3.0=3, 4323=2, 10620/1.8=1 Peak 4406 from cnoeabs.peaks (7.79, 2.04, 29.37 ppm; 3.25 A): 4 out of 30 assignments used, quality = 1.00: * H GLU 99 + HB2 GLU 99 OK 81 100 - 81 - 3.9=60, 7612/3.0=15...(12) H GLU 99 + HB3 GLU 98 OK 72 100 - 72 - 4.6=36, 7602/4.0=18...(17) H GLU 99 + HB2 GLU 98 OK 72 100 - 72 - 4.6=36, 7602/4.0=18...(17) H GLU 99 + HB3 GLU 99 OK 70 87 - 81 - 3.9=60, 7612/3.0=15...(12) H LYS 66 - HB2 GLU 99 OK 11 96 - 12 - 7060/3.0=7, 4428/3.0=2...(4) H LYS 66 - HB3 GLU 99 poor 9 79 - 12 - 7060/3.0=7, 4428/3.0=2...(4) H GLU 28 - HB3 GLU 98 lone 7 99 - 7 - 7595/4.0=2, 4367/3.0=1 H LYS 20 - HB2 GLU 98 lone 7 100 - 7 - 7595/4.0=2, 4367/3.0=2 H LYS 20 - HB3 GLU 98 lone 7 100 - 7 - 7595/4.0=2, 4367/3.0=2 H GLU 99 - HB3 GLU 48 poor 7 64 - 11 - 7612/3.0=3, 7605=1...(4) H GLU 28 - HB2 GLU 98 lone 7 99 - 7 - 7595/4.0=2, 4367/3.0=1 H LYS 20 - HB2 GLU 99 lone 6 100 - 6 - 7619/4.7=1, 4398/3.0=1 H LYS 20 - HB3 GLU 99 lone 5 86 - 6 - 7619/4.7=1, 4398/3.0=1 H LYS 66 - HB2 GLU 98 lone 4 95 - 4 - H LYS 66 - HB3 GLU 98 lone 4 95 - 4 - H GLU 28 - HB2 GLU 99 lone 3 99 - 3 - H GLU 28 - HB3 GLU 99 lone 3 85 - 4 - HE ARG 30 - HB3 GLU 98 lone 3 98 - 3 - HE ARG 30 - HB2 GLU 98 lone 3 98 - 3 - HE ARG 30 - HB2 GLU 99 lone 2 99 - 2 - H LYS 20 - HB3 GLU 48 lone 2 64 - 3 - HE ARG 30 - HB3 GLU 99 lone 2 84 - 2 - H SER 9 - HB3 GLU 48 lone 2 38 - 4 - ~2231=1 H LYS 66 - HB3 GLU 48 lone 1 58 - 2 - H SER 9 - HB2 GLU 99 lone 1 70 - 1 - H GLU 28 - HB3 GLU 48 lone 1 63 - 1 - H SER 9 - HB3 GLU 98 lone 1 69 - 1 - H SER 9 - HB2 GLU 98 lone 1 68 - 1 - H SER 9 - HB3 GLU 99 lone 1 54 - 1 - HE ARG 30 - HB3 GLU 48 lone 0 62 - 1 - Peak 4407 from cnoeabs.peaks (4.12, 2.04, 29.37 ppm; 3.27 A): 4 out of 20 assignments used, quality = 1.00: * HA GLU 99 + HB2 GLU 99 OK 100 100 - 100 - 3.0=100 HA GLU 99 + HB3 GLU 99 OK 87 87 - 100 - 3.0=100 HA GLU 99 + HB3 GLU 98 OK 62 100 - 62 - 4400=9, 4402/3.0=8...(28) HA GLU 99 + HB2 GLU 98 OK 62 100 - 62 - 4400=9, 4402/3.0=8...(28) HA GLU 99 - HB3 GLU 48 OK 11 64 - 17 - 4403/3.0=3, 4400=2...(5) HA GLU 62 - HB2 GLU 99 lone 7 100 - 7 - 7608/3.9=1, 7620/4.7=1 HA LYS 47 - HB3 GLU 48 poor 7 30 - 22 - 3.6/6792=10, ~12339=4...(5) HA GLU 62 - HB3 GLU 99 lone 6 86 - 7 - 7608/3.9=1, 7620/4.7=1 HA GLU 104 - HB2 GLU 99 lone 5 100 - 5 - 7608/3.9=1 HA GLU 104 - HB3 GLU 99 lone 5 86 - 5 - 7608/3.9=1 HA GLU 104 - HB3 GLU 98 lone 2 99 - 2 - 7608/4.6=1 HA GLU 104 - HB2 GLU 98 lone 2 99 - 2 - 7608/4.6=1 HA GLU 62 - HB3 GLU 98 lone 2 100 - 2 - 7608/4.6=1 HA GLU 62 - HB2 GLU 98 lone 2 100 - 2 - 7608/4.6=1 HA LYS 47 - HB2 GLU 99 lone 2 57 - 4 - 3.6/6792=2 HA LYS 47 - HB3 GLU 99 lone 2 44 - 4 - 3.6/6792=2 HA GLU 62 - HB3 GLU 48 lone 1 64 - 2 - HA LYS 47 - HB3 GLU 98 lone 1 57 - 2 - 3.6/6792=1 HA LYS 47 - HB2 GLU 98 lone 1 56 - 2 - 3.6/6792=1 HA GLU 104 - HB3 GLU 48 lone 0 63 - 1 - Peak 4408 from cnoeabs.peaks (2.04, 2.04, 29.37 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 GLU 99 + HB2 GLU 99 OK 100 100 - 100 HB3 GLU 98 + HB3 GLU 98 OK 100 100 - 100 HB2 GLU 98 + HB2 GLU 98 OK 100 100 - 100 HB3 GLU 99 + HB3 GLU 99 OK 83 83 - 100 HB3 GLU 48 + HB3 GLU 48 OK 63 63 - 100 Peak 4409 from cnoeabs.peaks (2.04, 2.04, 29.37 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB2 GLU 99 + HB2 GLU 99 OK 98 98 - 100 HB3 GLU 98 + HB3 GLU 98 OK 98 98 - 100 HB2 GLU 98 + HB2 GLU 98 OK 96 96 - 100 HB3 GLU 99 + HB3 GLU 99 OK 87 87 - 100 HB3 GLU 48 + HB3 GLU 48 OK 54 54 - 100 Reference assignment not found: HB3 GLU 99 - HB2 GLU 99 Peak 4410 from cnoeabs.peaks (2.22, 2.04, 29.37 ppm; 2.72 A): 4 out of 20 assignments used, quality = 1.00: * HG2 GLU 99 + HB2 GLU 99 OK 86 100 - 86 - 3.0=76, 4402/3.0=7...(10) HG2 GLU 98 + HB3 GLU 98 OK 80 98 - 81 - 3.0=73, 4365/3.0=9...(6) HG2 GLU 98 + HB2 GLU 98 OK 79 97 - 81 - 3.0=73, 4365/3.0=9...(6) HG2 GLU 99 + HB3 GLU 99 OK 74 87 - 86 - 3.0=76, 4402/3.0=7...(10) HG2 GLU 99 - HB3 GLU 98 OK 40 100 - 40 - 4395/3.0=5, 4365/3.0=5...(16) HG2 GLU 99 - HB2 GLU 98 OK 40 100 - 40 - 4395/3.0=5, 4365/3.0=5...(16) HG2 GLU 98 - HB2 GLU 99 OK 39 98 - 40 - 4402/3.0=5, 7611/3.9=5...(15) HG2 GLU 98 - HB3 GLU 99 OK 33 83 - 41 - 4402/3.0=5, 7611/3.9=5...(15) HB2 GLU 95 - HB3 GLU 98 OK 14 69 - 20 - 3.0/4368=4, 4365/3.0=3...(9) HB2 GLU 95 - HB2 GLU 98 OK 14 68 - 20 - 3.0/4368=4, 4365/3.0=3...(9) HG2 GLU 99 - HB3 GLU 48 poor 9 64 - 15 - ~2235=2, 4426/3.0=2...(6) HB2 GLU 95 - HB2 GLU 99 poor 8 70 - 12 - 3.0/4368=2, 7606/3.9=2...(7) HB2 GLU 95 - HB3 GLU 99 poor 7 54 - 12 - 3.0/4283=2, 7606/3.9=2...(7) HB3 GLN 72 - HB2 GLU 99 lone 4 81 - 5 - HB3 GLN 72 - HB3 GLU 99 lone 3 64 - 5 - HG2 GLU 98 - HB3 GLU 48 lone 3 61 - 5 - HB3 GLN 72 - HB3 GLU 48 lone 1 45 - 2 - HB3 GLN 72 - HB3 GLU 98 lone 1 80 - 1 - HB3 GLN 72 - HB2 GLU 98 lone 1 79 - 1 - HB2 GLU 95 - HB3 GLU 48 lone 0 38 - 1 - Peak 4411 from cnoeabs.peaks (2.44, 2.04, 29.37 ppm; 3.02 A): 5 out of 30 assignments used, quality = 1.00: * HG3 GLU 99 + HB2 GLU 99 OK 100 100 - 100 - 3.0=100 HG3 GLU 99 + HB3 GLU 99 OK 87 87 - 100 - 3.0=100 HG3 GLU 48 + HB3 GLU 48 OK 56 56 - 100 - 3.0=100 HG3 GLU 99 + HB3 GLU 98 OK 47 100 - 48 - 7612/4.6=8, 4432/3.0=5...(27) HG3 GLU 99 + HB2 GLU 98 OK 47 100 - 48 - 7612/4.6=8, 4432/3.0=5...(27) HG3 GLU 48 - HB2 GLU 99 OK 24 94 - 26 - 1.8/2247=3, 3.0/2233=3...(11) HG3 GLU 48 - HB3 GLU 99 OK 21 77 - 28 - 1.8/2247=3, 2254=3...(12) HG3 GLU 48 - HB3 GLU 98 OK 14 93 - 15 - 1.8/2247=2, 3.0/2233=2...(6) HG3 GLU 48 - HB2 GLU 98 OK 14 93 - 15 - 1.8/2247=2, 3.0/2233=2...(6) HG3 GLU 99 - HB3 GLU 48 OK 13 64 - 20 - 2235/1.8=4, 4430=2...(7) HG3 GLN 50 - HB3 GLU 48 poor 8 59 - 14 - 2235/1.8=3, 2228/3.0=2...(5) HG3 GLU 17 - HB3 GLU 48 poor 8 56 - 14 - 2235/1.8=3, 5.1/12266=2...(7) HG3 GLN 50 - HB2 GLU 99 lone 8 97 - 8 - 2307/1.8=1, ~2299=1 HG2 GLN 72 - HB2 GLU 99 lone 7 81 - 8 - 4426/3.0=1 HG3 GLU 17 - HB2 GLU 99 lone 7 94 - 7 - 7612/3.9=1 HG3 GLN 50 - HB3 GLU 99 lone 6 81 - 7 - HG3 GLU 17 - HB3 GLU 99 lone 5 77 - 7 - 7612/3.9=1 HG2 GLN 72 - HB3 GLU 99 lone 5 64 - 8 - 4426/3.0=1 HB2 ASP 11 - HB3 GLU 48 lone 4 61 - 6 - 2228/3.0=1, 2235/1.8=1 HG2 GLN 72 - HB3 GLU 48 lone 2 45 - 5 - 2235/1.8=1 HG3 GLU 17 - HB3 GLU 98 lone 2 93 - 2 - HG3 GLU 17 - HB2 GLU 98 lone 2 93 - 2 - HB2 ASP 11 - HB2 GLU 99 lone 2 98 - 2 - HB2 ASP 11 - HB3 GLU 99 lone 2 83 - 2 - HG3 GLN 50 - HB3 GLU 98 lone 2 97 - 2 - HG3 GLN 50 - HB2 GLU 98 lone 2 96 - 2 - HG2 GLN 72 - HB3 GLU 98 lone 1 80 - 1 - HG2 GLN 72 - HB2 GLU 98 lone 1 79 - 1 - HB2 ASP 11 - HB3 GLU 98 lone 1 98 - 1 - HB2 ASP 11 - HB2 GLU 98 lone 1 97 - 1 - Peak 4412 from cnoeabs.peaks (8.14, 2.04, 29.37 ppm; 4.37 A): 4 out of 20 assignments used, quality = 1.00: * H GLY 100 + HB2 GLU 99 OK 92 100 - 92 - 4.7=83, 7619/3.9=21...(10) H GLY 100 + HB3 GLU 99 OK 80 87 - 92 - 4.7=83, 7619/3.9=21...(10) H GLY 100 + HB3 GLU 98 OK 60 100 - 60 - 7619/4.6=18, 7618/3.0=14...(10) H GLY 100 + HB2 GLU 98 OK 59 100 - 60 - 7619/4.6=18, 7618/3.0=14...(10) H TRP 92 - HB2 GLU 99 OK 14 100 - 14 - 7613/3.9=3, 4404/3.0=3...(5) H TRP 92 - HB3 GLU 99 OK 12 86 - 14 - 7613/3.9=3, 4404/3.0=3...(5) H HIS 106 - HB3 GLU 98 OK 11 73 - 16 - 11026/3.0=7, 7596/4.0=3...(5) H HIS 106 - HB2 GLU 98 OK 11 72 - 16 - 11026/3.0=7, 7596/4.0=3...(5) H ASP 87 - HB2 GLU 99 OK 10 97 - 10 - 7613/3.9=2, 4434/3.0=2...(4) H TRP 92 - HB3 GLU 98 lone 9 100 - 9 - 7613/4.6=2, 7596/4.0=2 H TRP 92 - HB2 GLU 98 lone 9 100 - 9 - 7613/4.6=2, 7596/4.0=2 H ASP 87 - HB3 GLU 99 poor 8 81 - 10 - 7613/3.9=2, 4434/3.0=2...(4) H GLY 100 - HB3 GLU 48 poor 8 64 - 12 - 7624/3.0=3, 3.6/4400=2...(5) H ASP 87 - HB3 GLU 98 lone 7 97 - 7 - 7596/4.0=2, 7613/4.6=2 H ASP 87 - HB2 GLU 98 lone 7 96 - 7 - 7596/4.0=2, 7613/4.6=2 H HIS 106 - HB2 GLU 99 lone 6 73 - 8 - 7613/3.9=3, 4404/3.0=1 H HIS 106 - HB3 GLU 99 lone 5 57 - 8 - 7613/3.9=3, 4404/3.0=1 H TRP 92 - HB3 GLU 48 lone 3 64 - 4 - H ASP 87 - HB3 GLU 48 lone 2 59 - 3 - H HIS 106 - HB3 GLU 48 lone 1 40 - 1 - Peak 4413 from cnoeabs.peaks (4.51, 2.04, 29.37 ppm; 4.18 A): 5 out of 8 assignments used, quality = 0.89: * HA PHE 96 + HB3 GLU 99 OK 43 100 - 43 - 7599/3.9=18, 4324=9...(8) HA PHE 96 + HB3 GLU 98 OK 42 86 - 49 - 7585/4.0=16, 7599/4.6=16...(6) HA PHE 96 + HB2 GLU 98 OK 39 80 - 49 - 7585/4.0=16, 7599/4.6=16...(6) HA PHE 96 + HB2 GLU 99 OK 37 87 - 43 - 7599/3.9=18, 4323=9...(8) HA PHE 45 + HB3 GLU 99 OK 10 97 - 11 - 7599/3.9=4, 11025/3.0=2 HA PHE 45 - HB3 GLU 98 poor 9 80 - 11 - 7585/4.0=4, 7599/4.6=4 HA PHE 45 - HB2 GLU 99 poor 9 81 - 11 - 7599/3.9=4, 11025/3.0=2 HA PHE 45 - HB2 GLU 98 poor 8 74 - 11 - 7585/4.0=4, 7599/4.6=4 Peak 4414 from cnoeabs.peaks (7.79, 2.04, 29.37 ppm; 3.25 A): 4 out of 24 assignments used, quality = 0.99: * H GLU 99 + HB3 GLU 99 OK 80 100 - 80 - 3.9=60, 7612/3.0=15...(13) H GLU 99 + HB2 GLU 99 OK 70 87 - 80 - 3.9=60, 7612/3.0=15...(12) H GLU 99 + HB3 GLU 98 OK 62 86 - 72 - 4.6=36, 7602/4.0=18...(16) H GLU 99 + HB2 GLU 98 OK 58 80 - 72 - 4.6=36, 7602/4.0=18...(16) H LYS 66 - HB3 GLU 99 OK 12 96 - 12 - 7060/3.0=7, 4428/3.0=2...(4) H LYS 66 - HB2 GLU 99 poor 9 79 - 12 - 7060/3.0=7, 4428/3.0=2...(4) H GLU 28 - HB3 GLU 98 lone 6 84 - 7 - 7595/4.0=2, 4367/3.0=1 H LYS 20 - HB3 GLU 98 lone 6 86 - 7 - 7595/4.0=2, 4367/3.0=2 H LYS 20 - HB3 GLU 99 lone 6 100 - 6 - 7619/4.7=1, 4398/3.0=1 H LYS 20 - HB2 GLU 98 lone 6 79 - 7 - 7595/4.0=2, 4367/3.0=2 H LYS 20 - HB2 GLU 99 lone 5 86 - 6 - 7619/4.7=1, 4398/3.0=1 H GLU 28 - HB2 GLU 98 lone 5 78 - 6 - 7595/4.0=2, 4367/3.0=1 H GLU 28 - HB3 GLU 99 lone 4 99 - 4 - H LYS 66 - HB3 GLU 98 lone 3 78 - 4 - H LYS 66 - HB2 GLU 98 lone 3 72 - 4 - H GLU 28 - HB2 GLU 99 lone 3 85 - 3 - HE ARG 30 - HB3 GLU 98 lone 2 83 - 3 - HE ARG 30 - HB3 GLU 99 lone 2 99 - 2 - HE ARG 30 - HB2 GLU 98 lone 2 77 - 3 - HE ARG 30 - HB2 GLU 99 lone 2 84 - 2 - H SER 9 - HB3 GLU 99 lone 1 70 - 1 - H SER 9 - HB2 GLU 99 lone 1 54 - 1 - H SER 9 - HB3 GLU 98 lone 1 53 - 1 - H SER 9 - HB2 GLU 98 lone 1 48 - 1 - Peak 4415 from cnoeabs.peaks (4.12, 2.04, 29.37 ppm; 3.27 A): 4 out of 16 assignments used, quality = 1.00: * HA GLU 99 + HB3 GLU 99 OK 100 100 - 100 - 3.0=100 HA GLU 99 + HB2 GLU 99 OK 87 87 - 100 - 3.0=100 HA GLU 99 + HB3 GLU 98 OK 53 86 - 62 - 4401=9, 4402/3.0=8...(28) HA GLU 99 + HB2 GLU 98 OK 49 80 - 62 - 4401=9, 4402/3.0=8...(28) HA GLU 62 - HB3 GLU 99 lone 7 100 - 7 - 7608/3.9=1, 7620/4.7=1 HA GLU 62 - HB2 GLU 99 lone 6 86 - 7 - 7608/3.9=1, 7620/4.7=1 HA GLU 104 - HB3 GLU 99 lone 5 100 - 5 - 7608/3.9=1 HA GLU 104 - HB2 GLU 99 lone 5 86 - 5 - 7608/3.9=1 HA GLU 104 - HB3 GLU 98 lone 2 85 - 2 - 7608/4.6=1 HA LYS 47 - HB3 GLU 99 lone 2 57 - 3 - 3.6/6792=2 HA GLU 62 - HB3 GLU 98 lone 2 86 - 2 - 7608/4.6=1 HA GLU 104 - HB2 GLU 98 lone 2 79 - 2 - 7608/4.6=1 HA GLU 62 - HB2 GLU 98 lone 2 79 - 2 - 7608/4.6=1 HA LYS 47 - HB2 GLU 99 lone 2 44 - 3 - 3.6/6792=2 HA LYS 47 - HB3 GLU 98 lone 1 43 - 2 - 3.6/6792=1 HA LYS 47 - HB2 GLU 98 lone 1 39 - 2 - 3.6/6792=1 Peak 4416 from cnoeabs.peaks (2.04, 2.04, 29.37 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 GLU 99 + HB3 GLU 99 OK 98 98 - 100 HB2 GLU 99 + HB2 GLU 99 OK 87 87 - 100 HB3 GLU 98 + HB3 GLU 98 OK 86 86 - 100 HB2 GLU 98 + HB2 GLU 98 OK 80 80 - 100 Reference assignment not found: HB2 GLU 99 - HB3 GLU 99 Peak 4417 from cnoeabs.peaks (2.04, 2.04, 29.37 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLU 99 + HB3 GLU 99 OK 100 100 - 100 HB2 GLU 99 + HB2 GLU 99 OK 83 83 - 100 HB3 GLU 98 + HB3 GLU 98 OK 82 82 - 100 HB2 GLU 98 + HB2 GLU 98 OK 74 74 - 100 Peak 4418 from cnoeabs.peaks (2.22, 2.04, 29.37 ppm; 2.72 A): 4 out of 16 assignments used, quality = 1.00: * HG2 GLU 99 + HB3 GLU 99 OK 86 100 - 86 - 3.0=76, 4402/3.0=7...(10) HG2 GLU 99 + HB2 GLU 99 OK 74 87 - 85 - 3.0=76, 4402/3.0=7...(10) HG2 GLU 98 + HB3 GLU 98 OK 67 82 - 81 - 3.0=73, 4365/3.0=9...(6) HG2 GLU 98 + HB2 GLU 98 OK 62 76 - 81 - 3.0=73, 4365/3.0=9...(6) HG2 GLU 98 - HB3 GLU 99 OK 39 98 - 40 - 4402/3.0=5, 7611/3.9=5...(15) HG2 GLU 99 - HB3 GLU 98 OK 34 86 - 40 - 4395/3.0=5, 4365/3.0=5...(16) HG2 GLU 98 - HB2 GLU 99 OK 33 83 - 40 - 4402/3.0=5, 7611/3.9=5...(15) HG2 GLU 99 - HB2 GLU 98 OK 32 80 - 40 - 4395/3.0=5, 4365/3.0=5...(16) HB2 GLU 95 - HB3 GLU 98 OK 10 53 - 20 - 3.0/4283=4, 4365/3.0=3...(9) HB2 GLU 95 - HB2 GLU 98 poor 9 48 - 20 - 3.0/4283=4, 4365/3.0=3...(9) HB2 GLU 95 - HB3 GLU 99 poor 9 70 - 13 - 3.0/4283=2, 7606/3.9=2...(7) HB2 GLU 95 - HB2 GLU 99 poor 6 54 - 12 - 3.0/4283=2, 7606/3.9=2...(7) HB3 GLN 72 - HB3 GLU 99 lone 4 81 - 5 - HB3 GLN 72 - HB2 GLU 99 lone 3 64 - 5 - HB3 GLN 72 - HB3 GLU 98 lone 0 63 - 1 - HB3 GLN 72 - HB2 GLU 98 lone 0 57 - 1 - Peak 4419 from cnoeabs.peaks (2.44, 2.04, 29.37 ppm; 3.02 A): 2 out of 24 assignments used, quality = 1.00: * HG3 GLU 99 + HB3 GLU 99 OK 100 100 - 100 - 3.0=100 HG3 GLU 99 + HB2 GLU 99 OK 87 87 - 100 - 3.0=100 HG3 GLU 99 - HB3 GLU 98 OK 41 86 - 48 - 7612/4.6=8, 4432/3.0=5...(27) HG3 GLU 99 - HB2 GLU 98 OK 38 80 - 48 - 7612/4.6=8, 4432/3.0=5...(27) HG3 GLU 48 - HB3 GLU 99 OK 25 94 - 27 - 4403/3.0=3, 1.8/2247=2...(11) HG3 GLU 48 - HB2 GLU 99 OK 19 77 - 25 - 1.8/2247=3, 4403/3.0=3...(10) HG3 GLU 48 - HB3 GLU 98 OK 11 76 - 14 - 1.8/2247=2, 7612/4.6=2...(6) HG3 GLU 48 - HB2 GLU 98 poor 10 70 - 14 - 1.8/2247=2, 7612/4.6=2...(6) HG3 GLN 50 - HB3 GLU 99 lone 9 97 - 9 - 1.8/2299=1 HG2 GLN 72 - HB3 GLU 99 lone 7 81 - 8 - 4426/3.0=1 HG3 GLU 17 - HB3 GLU 99 lone 7 94 - 7 - 7612/3.9=1 HG3 GLN 50 - HB2 GLU 99 lone 6 81 - 8 - 2307/1.8=1, ~2299=1 HG2 GLN 72 - HB2 GLU 99 lone 5 64 - 8 - 4426/3.0=1 HG3 GLU 17 - HB2 GLU 99 lone 5 77 - 7 - 7612/3.9=1 HB2 ASP 11 - HB3 GLU 99 lone 2 98 - 2 - HG3 GLU 17 - HB3 GLU 98 lone 2 76 - 2 - HG3 GLU 17 - HB2 GLU 98 lone 2 70 - 2 - HB2 ASP 11 - HB2 GLU 99 lone 2 83 - 2 - HG3 GLN 50 - HB3 GLU 98 lone 1 80 - 2 - HG3 GLN 50 - HB2 GLU 98 lone 1 74 - 2 - HG2 GLN 72 - HB3 GLU 98 lone 1 63 - 1 - HG2 GLN 72 - HB2 GLU 98 lone 1 57 - 1 - HB2 ASP 11 - HB3 GLU 98 lone 1 82 - 1 - HB2 ASP 11 - HB2 GLU 98 lone 1 76 - 1 - Peak 4420 from cnoeabs.peaks (8.14, 2.04, 29.37 ppm; 4.37 A): 4 out of 16 assignments used, quality = 1.00: * H GLY 100 + HB3 GLU 99 OK 92 100 - 92 - 4.7=83, 7619/3.9=21...(10) H GLY 100 + HB2 GLU 99 OK 80 87 - 92 - 4.7=83, 7619/3.9=21...(10) H GLY 100 + HB3 GLU 98 OK 51 86 - 60 - 7619/4.6=18, 7618/3.0=14...(10) H GLY 100 + HB2 GLU 98 OK 47 80 - 59 - 7619/4.6=18, 7618/3.0=14...(10) H TRP 92 - HB3 GLU 99 OK 14 100 - 14 - 7613/3.9=3, 4404/3.0=3...(5) H TRP 92 - HB2 GLU 99 OK 12 86 - 14 - 7613/3.9=3, 4404/3.0=3...(5) H ASP 87 - HB3 GLU 99 lone 10 97 - 10 - 7613/3.9=2, 4434/3.0=2...(4) H HIS 106 - HB3 GLU 98 poor 9 57 - 15 - 11026/3.0=7, 7596/4.0=3...(4) H ASP 87 - HB2 GLU 99 lone 8 81 - 10 - 7613/3.9=2, 4434/3.0=2...(4) H HIS 106 - HB2 GLU 98 poor 8 51 - 15 - 11026/3.0=7, 7596/4.0=3...(4) H TRP 92 - HB3 GLU 98 lone 8 86 - 9 - 7613/4.6=2, 7596/4.0=2 H TRP 92 - HB2 GLU 98 lone 7 79 - 9 - 7613/4.6=2, 7596/4.0=2 H HIS 106 - HB3 GLU 99 lone 6 73 - 8 - 7613/3.9=3, 4404/3.0=1 H ASP 87 - HB3 GLU 98 lone 5 80 - 7 - 7596/4.0=2, 7613/4.6=2 H ASP 87 - HB2 GLU 98 lone 5 74 - 7 - 7596/4.0=2, 7613/4.6=2 H HIS 106 - HB2 GLU 99 lone 5 57 - 8 - 7613/3.9=3, 4404/3.0=1 Peak 4421 from cnoeabs.peaks (7.79, 2.22, 36.00 ppm; 3.99 A): 2 out of 12 assignments used, quality = 0.98: * H GLU 99 + HG2 GLU 99 OK 90 100 - 90 - 4.7=61, 7612/1.8=28...(13) H GLU 99 + HG2 GLU 98 OK 76 87 - 88 - 4.9=53, 7607/1.8=31...(17) H LYS 66 - HG2 GLU 99 OK 16 96 - 16 - 7060/4.1=7, 4428/1.8=3...(5) H GLU 28 - HG2 GLU 98 lone 8 85 - 10 - 4397/1.8=2, 7595/5.2=2...(4) H LYS 20 - HG2 GLU 98 lone 8 86 - 9 - 4397/1.8=2, 4367/3.9=2 H LYS 20 - HG2 GLU 99 lone 8 100 - 8 - 7619/4.7=2, 4428/1.8=2 H LYS 66 - HG2 GLU 98 lone 5 79 - 7 - 7060/4402=1, 4397/1.8=1 H GLU 28 - HG2 GLU 99 lone 5 99 - 5 - HE ARG 30 - HG2 GLU 98 lone 4 84 - 4 - 4397/1.8=1 HE ARG 30 - HG2 GLU 99 lone 4 99 - 4 - H SER 9 - HG2 GLU 99 lone 1 70 - 2 - H SER 9 - HG2 GLU 98 lone 1 54 - 2 - Peak 4422 from cnoeabs.peaks (4.12, 2.22, 36.00 ppm; 3.83 A): 2 out of 8 assignments used, quality = 0.98: * HA GLU 99 + HG2 GLU 99 OK 95 100 - 95 - 4.1=82, 4429/1.8=24...(18) HA GLU 99 + HG2 GLU 98 OK 60 87 - 69 - 4402=18, ~7607=15...(21) HA GLU 62 - HG2 GLU 99 lone 8 100 - 8 - 4429/1.8=2, 7620/4.7=2 HA GLU 104 - HG2 GLU 99 lone 7 100 - 6 - 4429/1.8=2, 7608/4.7=1 HA GLU 104 - HG2 GLU 98 lone 3 86 - 4 - 7608/4.9=1 HA GLU 62 - HG2 GLU 98 lone 3 86 - 3 - 7608/4.9=1 HA LYS 47 - HG2 GLU 99 lone 1 57 - 2 - HA LYS 47 - HG2 GLU 98 lone 1 44 - 1 - Peak 4423 from cnoeabs.peaks (2.04, 2.22, 36.00 ppm; 2.77 A): 4 out of 16 assignments used, quality = 1.00: * HB2 GLU 99 + HG2 GLU 99 OK 88 100 - 88 - 3.0=81, 3.0/4402=8...(10) HB3 GLU 99 + HG2 GLU 99 OK 87 98 - 88 - 3.0=81, 3.0/4402=8...(10) HB3 GLU 98 + HG2 GLU 98 OK 73 87 - 85 - 3.0=78, 3.0/4365=9...(6) HB2 GLU 98 + HG2 GLU 98 OK 73 87 - 85 - 3.0=78, 3.0/4365=9...(6) HB2 GLU 98 - HG2 GLU 99 OK 41 100 - 41 - 3.0/4395=5, 3.0/4365=5...(16) HB3 GLU 98 - HG2 GLU 99 OK 41 100 - 41 - 3.0/4395=5, 3.0/4365=5...(16) HB2 GLU 99 - HG2 GLU 98 OK 36 87 - 42 - 3.0/4402=5, 3.9/7611=5...(15) HB3 GLU 99 - HG2 GLU 98 OK 35 83 - 42 - 3.0/4402=5, 3.9/7611=5...(15) HB3 GLU 48 - HG2 GLU 99 OK 15 99 - 15 - ~2235=2, 3.0/4426=2...(5) HB3 GLU 48 - HG2 GLU 98 lone 4 85 - 5 - HG12 ILE 93 - HG2 GLU 99 lone 2 98 - 2 - HG12 ILE 93 - HG2 GLU 98 lone 2 83 - 2 - HB2 MET 21 - HG2 GLU 99 lone 1 97 - 1 - HB2 MET 21 - HG2 GLU 98 lone 1 81 - 1 - HB2 MET 74 - HG2 GLU 99 lone 0 61 - 0 - HB2 MET 74 - HG2 GLU 98 lone 0 47 - 1 - Peak 4424 from cnoeabs.peaks (2.04, 2.22, 36.00 ppm; 2.77 A): 4 out of 18 assignments used, quality = 1.00: * HB3 GLU 99 + HG2 GLU 99 OK 88 100 - 88 - 3.0=81, 3.0/4402=8...(10) HB2 GLU 99 + HG2 GLU 99 OK 87 98 - 88 - 3.0=81, 3.0/4402=8...(10) HB3 GLU 98 + HG2 GLU 98 OK 70 83 - 85 - 3.0=78, 3.0/4365=9...(6) HB2 GLU 98 + HG2 GLU 98 OK 68 81 - 85 - 3.0=78, 3.0/4365=9...(6) HB3 GLU 98 - HG2 GLU 99 OK 40 98 - 41 - 3.0/4395=5, 3.0/4365=5...(16) HB2 GLU 98 - HG2 GLU 99 OK 39 97 - 41 - 3.0/4395=5, 3.0/4365=5...(16) HB3 GLU 99 - HG2 GLU 98 OK 36 87 - 42 - 3.0/4402=5, 3.9/7611=5...(15) HB2 GLU 99 - HG2 GLU 98 OK 34 83 - 41 - 3.0/4402=5, 3.9/7611=5...(15) HB3 GLU 48 - HG2 GLU 99 OK 13 92 - 15 - ~2235=2, 3.0/4426=2...(5) HB2 GLN 50 - HG2 GLU 99 lone 4 81 - 5 - HB3 GLU 48 - HG2 GLU 98 lone 4 75 - 5 - HG12 ILE 93 - HG2 GLU 99 lone 2 100 - 2 - HG12 ILE 93 - HG2 GLU 98 lone 2 87 - 2 - HB3 LYS 94 - HG2 GLU 99 lone 1 77 - 2 - HB2 MET 21 - HG2 GLU 99 lone 1 84 - 1 - HB2 MET 21 - HG2 GLU 98 lone 1 67 - 1 - HB3 LYS 94 - HG2 GLU 98 lone 0 61 - 1 - HB2 GLN 50 - HG2 GLU 98 lone 0 64 - 1 - Peak 4425 from cnoeabs.peaks (2.22, 2.22, 36.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 99 + HG2 GLU 99 OK 100 100 - 100 HG2 GLU 98 + HG2 GLU 98 OK 83 83 - 100 Peak 4426 from cnoeabs.peaks (2.44, 2.22, 36.00 ppm; 2.48 A): 1 out of 12 assignments used, quality = 1.00: * HG3 GLU 99 + HG2 GLU 99 OK 100 100 - 100 - 1.8=100 HG3 GLU 99 - HG2 GLU 98 OK 29 87 - 34 - 4432=9, 7612/4.9=4...(14) HG3 GLU 48 - HG2 GLU 99 OK 11 94 - 12 - 4432=2, 4403/4.1=1, 4419/3.0=1 HG2 GLN 72 - HG2 GLU 99 lone 5 81 - 6 - HG3 GLN 50 - HG2 GLU 99 lone 5 97 - 5 - HG3 GLU 17 - HG2 GLU 99 lone 4 94 - 4 - HG3 GLU 48 - HG2 GLU 98 lone 4 77 - 5 - HB2 ASP 11 - HG2 GLU 99 lone 1 98 - 1 - HG3 GLU 17 - HG2 GLU 98 lone 1 77 - 1 - HG3 GLN 50 - HG2 GLU 98 lone 1 81 - 1 - HG2 GLN 72 - HG2 GLU 98 lone 0 64 - 1 - HB2 ASP 11 - HG2 GLU 98 lone 0 83 - 0 - Peak 4427 from cnoeabs.peaks (8.14, 2.22, 36.00 ppm; 5.62 A): 2 out of 8 assignments used, quality = 1.00: * H GLY 100 + HG2 GLU 99 OK 100 100 - 100 - 4.7=100 H GLY 100 + HG2 GLU 98 OK 66 87 - 77 - 7619/4.9=26, 7618/3.9=21...(10) H TRP 92 - HG2 GLU 99 OK 17 100 - 17 - 4434/1.8=4, 7613/4.7=4...(6) H ASP 87 - HG2 GLU 99 OK 14 97 - 14 - 4434/1.8=4, 7613/4.7=3...(5) H HIS 106 - HG2 GLU 98 OK 12 57 - 21 - 11026/3.9=9, 7596/5.2=4...(6) H TRP 92 - HG2 GLU 98 OK 10 86 - 12 - 7613/4.9=3, 7596/5.2=3 H HIS 106 - HG2 GLU 99 poor 9 73 - 12 - 7613/4.7=4, 4434/1.8=2...(4) H ASP 87 - HG2 GLU 98 poor 8 81 - 10 - 7596/5.2=3, 7613/4.9=3 Peak 4428 from cnoeabs.peaks (7.79, 2.44, 36.00 ppm; 3.87 A): 4 out of 18 assignments used, quality = 0.91: * H GLU 99 + HG3 GLU 99 OK 85 100 - 85 - 4.7=56, 3.0/4429=19...(12) H LYS 20 + HG3 GLU 17 OK 22 65 - 34 - 732/3.9=14, 6308/3.0=6...(8) H LYS 66 + HG3 GLU 99 OK 14 96 - 15 - 7060/4.1=7, 4421/1.8=2...(5) H GLU 99 + HG3 GLU 48 OK 10 48 - 22 - 7612=7, 3.0/4403=4...(7) H GLU 99 - HG3 GLU 17 poor 8 65 - 12 - 7612=4, 732/3.9=2...(4) H LYS 20 - HG3 GLU 99 lone 7 100 - 7 - 7619/4.7=2, 4421/1.8=1 H GLU 28 - HG3 GLU 99 lone 4 99 - 4 - H LYS 66 - HG3 GLU 17 lone 3 58 - 5 - 732/3.9=2, 12287/1.8=1 HE ARG 30 - HG3 GLU 99 lone 3 99 - 3 - H GLU 28 - HG3 GLU 17 lone 2 64 - 3 - 732/3.9=2 H LYS 20 - HG3 GLU 48 lone 2 48 - 4 - H SER 9 - HG3 GLU 17 lone 2 38 - 5 - 732/3.9=1 H SER 9 - HG3 GLU 48 lone 2 27 - 6 - ~2231=1 H SER 9 - HG3 GLU 99 lone 2 70 - 2 - HE ARG 30 - HG3 GLU 17 lone 1 63 - 2 - H LYS 66 - HG3 GLU 48 lone 1 43 - 3 - H GLU 28 - HG3 GLU 48 lone 1 47 - 2 - HE ARG 30 - HG3 GLU 48 lone 0 46 - 1 - Peak 4429 from cnoeabs.peaks (4.12, 2.44, 36.00 ppm; 3.83 A): 1 out of 12 assignments used, quality = 0.96: * HA GLU 99 + HG3 GLU 99 OK 96 100 - 96 - 4.1=82, 3.0/7612=21...(26) HA GLU 99 - HG3 GLU 48 OK 13 48 - 26 - 4403=7, 3.0/7612=4...(10) HA GLU 62 - HG3 GLU 99 lone 8 100 - 8 - 7620/4.7=2, 4422/1.8=2 HA GLU 62 - HG3 GLU 17 poor 7 65 - 11 - 2726/3.0=2, 2728/1.8=1 HA GLU 104 - HG3 GLU 99 lone 6 100 - 6 - 7608/4.7=1, 4422/1.8=1 HA GLU 99 - HG3 GLU 17 lone 6 65 - 9 - 3.0/7612=2, 4403=2, 3.6/7624=1 HA LYS 47 - HG3 GLU 48 poor 5 22 - 22 - 3.6/6794=9, ~9029=6...(4) HA LYS 47 - HG3 GLU 99 lone 3 57 - 4 - 3.6/6794=3 HA LYS 47 - HG3 GLU 17 lone 1 31 - 4 - 3.6/6794=2 HA GLU 62 - HG3 GLU 48 lone 1 48 - 2 - HA GLU 104 - HG3 GLU 17 lone 1 64 - 1 - HA GLU 104 - HG3 GLU 48 lone 1 47 - 1 - Peak 4430 from cnoeabs.peaks (2.04, 2.44, 36.00 ppm; 2.84 A): 2 out of 24 assignments used, quality = 0.99: * HB2 GLU 99 + HG3 GLU 99 OK 93 100 - 93 - 3.0=87, 3.0/4429=10...(15) HB3 GLU 99 + HG3 GLU 99 OK 91 98 - 93 - 3.0=87, 3.0/4429=10...(15) HB3 GLU 48 - HG3 GLU 48 OK 43 47 - 92 - 3.0=84, 2241/1.8=15...(14) HB2 GLU 98 - HG3 GLU 99 OK 42 100 - 42 - 4.6/7612=7, 3.0/4432=5...(19) HB3 GLU 98 - HG3 GLU 99 OK 42 100 - 42 - 4.6/7612=7, 3.0/4432=5...(19) HB3 GLU 48 - HG3 GLU 99 OK 17 99 - 17 - 1.8/2235=3, 3.0/2228=2...(7) HB2 GLU 99 - HG3 GLU 48 OK 11 48 - 23 - 2247/1.8=3, 2233/3.0=2...(10) HB3 GLU 99 - HG3 GLU 48 OK 11 45 - 24 - 4419=3, 2247/1.8=3...(11) HB3 GLU 48 - HG3 GLU 17 poor 8 64 - 13 - 1.8/2235=3, 12267/5.1=1...(6) HB3 GLU 98 - HG3 GLU 48 poor 6 48 - 12 - 2247/1.8=2, 2233/3.0=2...(4) HB2 GLU 98 - HG3 GLU 48 poor 6 48 - 12 - 2247/1.8=2, 2233/3.0=2...(4) HB2 GLU 99 - HG3 GLU 17 lone 4 65 - 6 - HB3 GLU 99 - HG3 GLU 17 lone 4 61 - 6 - HB2 MET 21 - HG3 GLU 48 lone 2 44 - 6 - HG12 ILE 93 - HG3 GLU 48 lone 2 45 - 5 - HG12 ILE 93 - HG3 GLU 99 lone 2 98 - 2 - HB2 MET 21 - HG3 GLU 99 lone 1 97 - 1 - HB3 GLU 98 - HG3 GLU 17 lone 1 65 - 2 - HB2 GLU 98 - HG3 GLU 17 lone 1 65 - 2 - HB2 MET 74 - HG3 GLU 17 lone 1 33 - 3 - HB2 MET 74 - HG3 GLU 48 lone 0 23 - 2 - HB2 MET 21 - HG3 GLU 17 lone 0 60 - 1 - HG12 ILE 93 - HG3 GLU 17 lone 0 61 - 1 - HB2 MET 74 - HG3 GLU 99 lone 0 61 - 0 - Peak 4431 from cnoeabs.peaks (2.04, 2.44, 36.00 ppm; 2.84 A): 2 out of 27 assignments used, quality = 0.99: * HB3 GLU 99 + HG3 GLU 99 OK 93 100 - 93 - 3.0=87, 3.0/4429=10...(15) HB2 GLU 99 + HG3 GLU 99 OK 91 98 - 93 - 3.0=87, 3.0/4429=10...(15) HB3 GLU 98 - HG3 GLU 99 OK 41 98 - 42 - 4.6/7612=7, 3.0/4432=5...(19) HB2 GLU 98 - HG3 GLU 99 OK 41 97 - 42 - 4.6/7612=7, 3.0/4432=5...(19) HB3 GLU 48 - HG3 GLU 48 OK 37 40 - 92 - 3.0=84, 2241/1.8=13...(14) HB3 GLU 48 - HG3 GLU 99 OK 16 92 - 17 - 1.8/2235=3, 3.0/2228=2...(6) HB3 GLU 99 - HG3 GLU 48 OK 11 48 - 23 - 4419=3, 3.0/4403=2...(11) HB2 GLU 99 - HG3 GLU 48 poor 10 45 - 22 - 2247/1.8=2, 3.0/4403=2...(10) HB2 GLN 50 - HG3 GLU 99 lone 7 81 - 9 - 2286=1, 1.8/2294=1 HB3 GLU 48 - HG3 GLU 17 poor 7 55 - 12 - 1.8/2235=3, 12266/5.1=1...(6) HB2 GLN 50 - HG3 GLU 17 poor 6 46 - 14 - 2286=2, 1.8/2294=2...(5) HB3 GLU 98 - HG3 GLU 48 poor 5 45 - 12 - 2247/1.8=1, 4.6/7612=1...(4) HB2 GLN 50 - HG3 GLU 48 poor 5 33 - 16 - 4.0/6816=2, 2286=2...(8) HB2 GLU 98 - HG3 GLU 48 poor 5 44 - 12 - 2247/1.8=1, 4.6/7612=1...(4) HB3 GLU 99 - HG3 GLU 17 lone 4 65 - 6 - HB2 GLU 99 - HG3 GLU 17 lone 4 61 - 6 - HB3 LYS 94 - HG3 GLU 17 lone 2 43 - 6 - HG12 ILE 93 - HG3 GLU 48 lone 2 48 - 5 - HG12 ILE 93 - HG3 GLU 99 lone 2 100 - 2 - HB2 MET 21 - HG3 GLU 48 lone 2 35 - 5 - HB3 GLU 98 - HG3 GLU 17 lone 1 61 - 2 - HB2 MET 21 - HG3 GLU 99 lone 1 84 - 1 - HB3 LYS 94 - HG3 GLU 99 lone 1 77 - 2 - HB2 GLU 98 - HG3 GLU 17 lone 1 60 - 2 - HG12 ILE 93 - HG3 GLU 17 lone 0 65 - 1 - HB2 MET 21 - HG3 GLU 17 lone 0 48 - 1 - HB3 LYS 94 - HG3 GLU 48 lone 0 31 - 1 - Peak 4432 from cnoeabs.peaks (2.22, 2.44, 36.00 ppm; 2.40 A): 1 out of 12 assignments used, quality = 1.00: * HG2 GLU 99 + HG3 GLU 99 OK 100 100 - 100 - 1.8=100 HG2 GLU 98 - HG3 GLU 99 OK 30 98 - 31 - 4426=8, 4.9/7612=4...(14) HB3 GLN 72 - HG3 GLU 17 poor 8 46 - 18 - ~3194=3, 1.8/3195=2...(9) HG2 GLU 99 - HG3 GLU 48 poor 6 48 - 12 - 4426=3, 4.1/4403=1 HB3 GLN 72 - HG3 GLU 99 lone 5 81 - 6 - HB2 GLU 95 - HG3 GLU 99 lone 4 70 - 5 - HG2 GLU 99 - HG3 GLU 17 lone 3 65 - 4 - 4426=1 HG2 GLU 98 - HG3 GLU 48 lone 2 45 - 4 - 4426=1 HB3 GLN 72 - HG3 GLU 48 lone 1 33 - 3 - HG2 GLU 98 - HG3 GLU 17 lone 1 61 - 1 - HB2 GLU 95 - HG3 GLU 48 lone 0 27 - 1 - HB2 GLU 95 - HG3 GLU 17 lone 0 38 - 0 - Peak 4433 from cnoeabs.peaks (2.44, 2.44, 36.00 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 99 + HG3 GLU 99 OK 100 100 - 100 HG3 GLU 17 + HG3 GLU 17 OK 57 57 - 100 HG3 GLU 48 - HG3 GLU 48 OK 41 41 - 100 Peak 4434 from cnoeabs.peaks (8.14, 2.44, 36.00 ppm; 4.94 A): 1 out of 12 assignments used, quality = 1.00: * H GLY 100 + HG3 GLU 99 OK 100 100 - 100 - 4.7=100 H ASP 87 - HG3 GLU 99 OK 15 97 - 15 - 3.9/12333=5, 7613/4.7=2...(5) H TRP 92 - HG3 GLU 99 OK 14 100 - 14 - 7613/4.7=3, 4404/4.1=3...(6) H GLY 100 - HG3 GLU 48 OK 11 48 - 23 - 3.6/4403=6, 7624=5...(7) H GLY 100 - HG3 GLU 17 OK 11 65 - 16 - 7624=4, 4.6/7612=3...(6) H ASP 87 - HG3 GLU 17 poor 7 60 - 11 - 3.9/12333=6, 9902/3.0=2 H HIS 106 - HG3 GLU 99 lone 6 73 - 8 - 7613/4.7=3, 4404/4.1=1 H TRP 92 - HG3 GLU 17 lone 3 65 - 5 - 7453/5.1=1 H ASP 87 - HG3 GLU 48 lone 3 44 - 6 - 3.9/12333=3 H TRP 92 - HG3 GLU 48 lone 2 48 - 3 - H HIS 106 - HG3 GLU 17 lone 1 41 - 1 - H HIS 106 - HG3 GLU 48 lone 1 29 - 2 - Peak 4435 from cnoeabs.peaks (8.14, 3.87, 45.30 ppm; 3.94 A): 1 out of 8 assignments used, quality = 1.00: * H GLY 100 + HA2 GLY 100 OK 100 100 - 100 - 2.9=100 H GLY 100 - HA2 GLY 101 OK 41 82 - 50 - 7629/3.0=22, 7625=11...(10) H TRP 92 - HA2 GLY 100 OK 14 100 - 13 - 7629/3.6=5, 4439/1.8=3, ~4080=2 H TRP 92 - HA2 GLY 101 OK 14 82 - 16 - 7629/3.0=5, 7453/3.6=5 H ASP 87 - HA2 GLY 100 lone 7 97 - 7 - 7629/3.6=2, 4439/1.8=2 H ASP 87 - HA2 GLY 101 lone 5 77 - 6 - 7629/3.0=2, 10963/3.6=2 H HIS 106 - HA2 GLY 100 lone 1 73 - 2 - H HIS 106 - HA2 GLY 101 lone 1 54 - 1 - Peak 4436 from cnoeabs.peaks (3.87, 3.87, 45.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 100 + HA2 GLY 100 OK 100 100 - 100 HA2 GLY 101 + HA2 GLY 101 OK 82 82 - 100 Peak 4437 from cnoeabs.peaks (3.71, 3.87, 45.30 ppm; 2.75 A): 1 out of 6 assignments used, quality = 1.00: * HA3 GLY 100 + HA2 GLY 100 OK 100 100 - 100 - 1.8=100 HA3 GLY 100 - HA2 GLY 101 OK 24 82 - 29 - 4440=8, ~7627=4, ~7629=4...(8) HA LEU 42 - HA2 GLY 100 OK 14 90 - 16 - 7626/2.9=2, ~1920=2...(8) HA GLU 37 - HA2 GLY 100 lone 10 97 - 10 - 10543=1, 7626/2.9=1 HA LEU 42 - HA2 GLY 101 lone 5 68 - 7 - 10602/3.6=2, 7631/3.0=2 HA GLU 37 - HA2 GLY 101 lone 3 77 - 4 - Peak 4438 from cnoeabs.peaks (8.02, 3.87, 45.30 ppm; 3.63 A): 2 out of 6 assignments used, quality = 1.00: * H GLY 101 + HA2 GLY 100 OK 100 100 - 100 - 3.6=100 H GLY 101 + HA2 GLY 101 OK 82 82 - 100 - 3.0=100 H ARG 46 - HA2 GLY 101 OK 25 82 - 30 - 4447/1.8=7, 4.9/10173=4...(12) H ARG 46 - HA2 GLY 100 OK 18 100 - 17 - 6737/1.8=5, 7627/2.9=3...(6) H GLU 16 - HA2 GLY 101 OK 17 77 - 21 - 7636/3.6=5, 4447/1.8=4...(7) H GLU 16 - HA2 GLY 100 poor 10 97 - 10 - 6225=1, 4442/1.8=1...(4) Peak 4439 from cnoeabs.peaks (8.14, 3.71, 45.30 ppm; 3.81 A): 1 out of 4 assignments used, quality = 1.00: * H GLY 100 + HA3 GLY 100 OK 100 100 - 100 - 2.9=100 H TRP 92 - HA3 GLY 100 OK 10 100 - 10 - 7629/3.6=4, 4435/1.8=3, ~4080=2 H ASP 87 - HA3 GLY 100 lone 5 97 - 5 - 7629/3.6=2, 4435/1.8=1 H HIS 106 - HA3 GLY 100 lone 1 73 - 1 - Peak 4440 from cnoeabs.peaks (3.87, 3.71, 45.30 ppm; 2.67 A): 1 out of 9 assignments used, quality = 1.00: * HA2 GLY 100 + HA3 GLY 100 OK 100 100 - 100 - 1.8=100 HA2 GLY 101 - HA3 GLY 100 OK 27 100 - 27 - 4437=7, ~7627=4, ~7629=3...(8) HA LYS 40 - HA3 GLY 100 OK 26 100 - 26 - 10552=4, 3.0/1794=4...(10) HA LEU 38 - HA3 GLY 100 lone 7 96 - 8 - 2.9/6580=2 HA LYS 94 - HA3 GLY 100 lone 7 100 - 7 - HA GLU 43 - HA3 GLY 100 lone 5 70 - 6 - 2.9/6686=1, 3.6/6703=1 HB3 SER 49 - HA3 GLY 100 lone 2 94 - 2 - HA LYS 12 - HA3 GLY 100 lone 2 90 - 2 - HA ALA 67 - HA3 GLY 100 lone 2 87 - 2 - Peak 4441 from cnoeabs.peaks (3.71, 3.71, 45.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 100 + HA3 GLY 100 OK 100 100 - 100 Peak 4442 from cnoeabs.peaks (8.02, 3.71, 45.30 ppm; 4.76 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 101 + HA3 GLY 100 OK 100 100 - 100 - 3.6=100 H ARG 46 - HA3 GLY 100 OK 28 100 - 28 - 6737=9, 7627/2.9=4...(7) H GLU 16 - HA3 GLY 100 lone 9 97 - 9 - 6225/1.8=3, 7627/2.9=2, 6737=1 Peak 4443 from cnoeabs.peaks (8.02, 3.87, 45.04 ppm; 3.63 A): 2 out of 6 assignments used, quality = 1.00: * H GLY 101 + HA2 GLY 101 OK 100 100 - 100 - 3.0=100 H GLY 101 + HA2 GLY 100 OK 82 82 - 100 - 3.6=100 H ARG 46 - HA2 GLY 101 OK 30 100 - 30 - 4447/1.8=7, 4.9/10173=4...(12) H GLU 16 - HA2 GLY 101 OK 21 97 - 22 - 7636/3.6=5, 4447/1.8=4...(8) H ARG 46 - HA2 GLY 100 OK 14 82 - 17 - 6737/1.8=5, 7627/2.9=3...(5) H GLU 16 - HA2 GLY 100 poor 8 77 - 10 - 6225=1, 4442/1.8=1...(4) Peak 4444 from cnoeabs.peaks (3.87, 3.87, 45.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 101 + HA2 GLY 101 OK 100 100 - 100 HA2 GLY 100 + HA2 GLY 100 OK 82 82 - 100 Peak 4445 from cnoeabs.peaks (3.89, 3.87, 45.04 ppm; 2.40 A): 1 out of 16 assignments used, quality = 1.00: * HA3 GLY 101 + HA2 GLY 101 OK 100 100 - 100 - 1.8=100 HA3 GLY 101 - HA2 GLY 100 OK 23 82 - 28 - 4448=9, 7633/3.6=8...(9) HB2 SER 102 - HA2 GLY 101 lone 10 100 - 10 - 4.0/7637=5, 7633/3.0=2...(4) HA ARG 91 - HA2 GLY 101 lone 4 99 - 4 - 7633/3.0=1 HA GLU 43 - HA2 GLY 101 lone 4 92 - 4 - HB2 SER 85 - HA2 GLY 100 lone 3 70 - 5 - ~7618=1, ~9849=1, 9846/2.9=1 HA GLU 43 - HA2 GLY 100 lone 3 70 - 5 - HA ARG 91 - HA2 GLY 100 lone 3 79 - 4 - HB2 SER 102 - HA2 GLY 100 lone 3 82 - 4 - 4.0/7637=2, 7633/3.6=1 HA ALA 89 - HA2 GLY 101 lone 3 96 - 3 - HA GLU 35 - HA2 GLY 101 lone 2 98 - 2 - HA ALA 89 - HA2 GLY 100 lone 2 75 - 2 - HA LEU 38 - HA2 GLY 100 lone 2 44 - 3 - HA LEU 38 - HA2 GLY 101 lone 1 61 - 2 - HA GLU 35 - HA2 GLY 100 lone 1 78 - 1 - HB2 SER 85 - HA2 GLY 101 lone 1 92 - 1 - Peak 4446 from cnoeabs.peaks (8.06, 3.87, 45.04 ppm; 3.68 A): 1 out of 12 assignments used, quality = 1.00: * H SER 102 + HA2 GLY 101 OK 100 100 - 100 - 3.6=100 H SER 102 - HA2 GLY 100 OK 27 82 - 33 - 7636/3.6=19, 7637=9, 3.6/4448=6 H ILE 15 - HA2 GLY 101 OK 20 77 - 26 - 7634/3.0=7, 4450/1.8=3...(9) H GLU 17 - HA2 GLY 101 OK 18 99 - 18 - 6248/3.0=10, 4450/1.8=5 H LYS 13 - HA2 GLY 101 OK 13 73 - 17 - ~10099=4, 7634/3.0=3...(6) H GLU 17 - HA2 GLY 100 poor 9 80 - 11 - 6248/3.6=8 H ILE 15 - HA2 GLY 100 poor 8 57 - 14 - 7634/3.6=6, 6206=2, 4.0/644=1 H LYS 90 - HA2 GLY 101 lone 6 84 - 7 - 4450/1.8=2, 7634/3.0=2 H LYS 90 - HA2 GLY 100 lone 5 63 - 8 - 7426/2.9=2, 7634/3.6=1, ~10978=1 H LYS 13 - HA2 GLY 100 lone 4 54 - 7 - 7634/3.6=2, 2.9/8392=1 H GLU 75 - HA2 GLY 101 lone 2 70 - 3 - H GLU 75 - HA2 GLY 100 lone 1 50 - 3 - Peak 4447 from cnoeabs.peaks (8.02, 3.89, 45.04 ppm; 3.13 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 101 + HA3 GLY 101 OK 100 100 - 100 - 3.0=100 H ARG 46 - HA3 GLY 101 OK 22 100 - 22 - 4443/1.8=3, 4.0/10100=3...(9) H GLU 16 - HA3 GLY 101 OK 12 97 - 12 - 7636/3.6=4, 4443/1.8=2...(4) Peak 4448 from cnoeabs.peaks (3.87, 3.89, 45.04 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * HA2 GLY 101 + HA3 GLY 101 OK 100 100 - 100 - 1.8=100 HA2 GLY 100 - HA3 GLY 101 OK 27 100 - 27 - 3.6/7633=8, 4445=7...(10) HA LYS 94 - HA3 GLY 101 lone 8 100 - 8 - 3.0/4196=2, 3.0/11029=2...(4) HA LYS 40 - HA3 GLY 101 lone 3 100 - 3 - HA GLU 43 - HA3 GLY 101 lone 3 70 - 4 - HA LYS 12 - HA3 GLY 101 lone 2 90 - 2 - HA LEU 38 - HA3 GLY 101 lone 2 96 - 2 - HA ALA 67 - HA3 GLY 101 lone 1 87 - 1 - HB3 SER 49 - HA3 GLY 101 lone 1 94 - 1 - Peak 4449 from cnoeabs.peaks (3.89, 3.89, 45.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 101 + HA3 GLY 101 OK 100 100 - 100 Peak 4450 from cnoeabs.peaks (8.06, 3.89, 45.04 ppm; 3.18 A): 2 out of 6 assignments used, quality = 0.85: * H SER 102 + HA3 GLY 101 OK 83 100 - 83 - 3.6=72, 7637/1.8=19...(6) H GLU 17 + HA3 GLY 101 OK 13 99 - 13 - 6248/3.0=8, 4446/1.8=2 H ILE 15 - HA3 GLY 101 poor 9 77 - 12 - 7634/3.0=6, 4446/1.8=3...(4) H LYS 13 - HA3 GLY 101 lone 7 73 - 10 - ~10099=3, 7634/3.0=2...(4) H LYS 90 - HA3 GLY 101 lone 5 84 - 6 - 7634/3.0=1 H GLU 75 - HA3 GLY 101 lone 1 70 - 1 - Peak 4451 from cnoeabs.peaks (8.06, 4.38, 58.19 ppm; 4.30 A): 1 out of 6 assignments used, quality = 1.00: * H SER 102 + HA SER 102 OK 100 100 - 100 - 3.0=100 H LYS 90 - HA SER 102 OK 10 84 - 12 - ~3911=3, 4456/3.0=3...(5) H GLU 17 - HA SER 102 lone 8 99 - 8 - 4461/3.0=2, 4456/3.0=2 H ILE 15 - HA SER 102 lone 5 77 - 7 - 4456/3.0=1, 4461/3.0=1...(4) H LYS 13 - HA SER 102 lone 2 73 - 3 - H GLU 75 - HA SER 102 lone 2 70 - 2 - Peak 4452 from cnoeabs.peaks (4.38, 4.38, 58.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 102 + HA SER 102 OK 100 100 - 100 Peak 4453 from cnoeabs.peaks (3.89, 4.38, 58.19 ppm; 3.06 A): 1 out of 8 assignments used, quality = 1.00: * HB2 SER 102 + HA SER 102 OK 100 100 - 100 - 3.0=100 HA3 GLY 101 - HA SER 102 OK 35 100 - 35 - 4450/3.0=16, ~7637=7...(7) HA ALA 89 - HA SER 102 lone 7 97 - 7 - 3903/3.0=2, 3.6/4451=1 HA ARG 91 - HA SER 102 lone 4 98 - 4 - 7638/3.0=1, ~7431=1 HA GLU 35 - HA SER 102 lone 2 97 - 2 - HA GLU 43 - HA SER 102 lone 1 90 - 1 - HB2 SER 85 - HA SER 102 lone 1 94 - 1 - HA LEU 38 - HA SER 102 lone 1 57 - 2 - 7646/3.6=1 Peak 4454 from cnoeabs.peaks (3.81, 4.38, 58.19 ppm; 3.14 A): 1 out of 5 assignments used, quality = 1.00: * HB3 SER 102 + HA SER 102 OK 100 100 - 100 - 3.0=100 HA LYS 68 - HA SER 102 lone 6 99 - 6 - 7647/3.6=2, 7641/3.0=2 HA SER 97 - HA SER 102 lone 5 98 - 5 - 7647/3.6=2, 7641/3.0=1 HA ARG 19 - HA SER 102 lone 5 100 - 5 - 7641/3.0=1 HA ALA 22 - HA SER 102 lone 4 73 - 6 - 3.6/4455=1, 7647/3.6=1 Peak 4455 from cnoeabs.peaks (8.29, 4.38, 58.19 ppm; 3.28 A): 1 out of 2 assignments used, quality = 0.85: * H LEU 103 + HA SER 102 OK 85 100 - 85 - 3.6=78, 7644/3.0=13...(5) H GLU 23 - HA SER 102 lone 6 90 - 7 - 4465/3.0=2, 7642/3.0=2 Peak 4456 from cnoeabs.peaks (8.06, 3.89, 63.54 ppm; 4.77 A): 1 out of 6 assignments used, quality = 1.00: * H SER 102 + HB2 SER 102 OK 100 100 - 100 - 4.0=100 H LYS 90 - HB2 SER 102 OK 12 84 - 15 - 4461/1.8=3, 4451/3.0=3...(7) H GLU 17 - HB2 SER 102 lone 10 99 - 9 - 4461/1.8=3, 4451/3.0=2 H ILE 15 - HB2 SER 102 lone 6 77 - 8 - 4461/1.8=2, ~8452=2...(4) H LYS 13 - HB2 SER 102 lone 3 73 - 3 - H GLU 75 - HB2 SER 102 lone 2 70 - 3 - Peak 4457 from cnoeabs.peaks (4.38, 3.89, 63.54 ppm; 3.40 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 102 + HB2 SER 102 OK 100 100 - 100 - 3.0=100 HA ARG 81 - HB2 SER 102 lone 6 65 - 9 - 3.9/10110=5, 4462/1.8=1 HA ASP 61 - HB2 SER 102 lone 2 77 - 2 - HA GLN 50 - HB2 SER 102 lone 1 65 - 1 - Peak 4458 from cnoeabs.peaks (3.89, 3.89, 63.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 102 + HB2 SER 102 OK 100 100 - 100 Peak 4459 from cnoeabs.peaks (3.81, 3.89, 63.54 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HB3 SER 102 + HB2 SER 102 OK 100 100 - 100 - 1.8=100 HA LYS 68 - HB2 SER 102 lone 3 99 - 3 - HA SER 97 - HB2 SER 102 lone 3 98 - 3 - HA ARG 19 - HB2 SER 102 lone 3 100 - 3 - HA ALA 22 - HB2 SER 102 lone 3 73 - 3 - Peak 4460 from cnoeabs.peaks (8.29, 3.89, 63.54 ppm; 5.35 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 103 + HB2 SER 102 OK 100 100 - 100 - 4.5=100 H GLU 23 - HB2 SER 102 OK 17 90 - 19 - 4465/1.8=8, 7642/4.0=5...(4) Peak 4461 from cnoeabs.peaks (8.06, 3.81, 63.54 ppm; 4.60 A): 1 out of 6 assignments used, quality = 1.00: * H SER 102 + HB3 SER 102 OK 100 100 - 100 - 4.0=100 H LYS 90 - HB3 SER 102 OK 11 84 - 13 - 4456/1.8=4, 4451/3.0=3...(4) H GLU 17 - HB3 SER 102 lone 10 99 - 10 - 4456/1.8=3, 4451/3.0=2 H ILE 15 - HB3 SER 102 lone 6 77 - 8 - 3.0/8452=2, 4456/1.8=2...(4) H LYS 13 - HB3 SER 102 lone 3 73 - 3 - H GLU 75 - HB3 SER 102 lone 2 70 - 2 - Peak 4462 from cnoeabs.peaks (4.38, 3.81, 63.54 ppm; 3.41 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 102 + HB3 SER 102 OK 100 100 - 100 - 3.0=100 HA ARG 81 - HB3 SER 102 lone 3 65 - 5 - 4457/1.8=2 HA ASP 61 - HB3 SER 102 lone 2 77 - 2 - HA GLN 50 - HB3 SER 102 lone 1 65 - 1 - Peak 4463 from cnoeabs.peaks (3.89, 3.81, 63.54 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HB2 SER 102 + HB3 SER 102 OK 100 100 - 100 - 1.8=100 HA3 GLY 101 - HB3 SER 102 OK 13 100 - 13 - 4450/4.0=6, 4453/3.0=3 HA ALA 89 - HB3 SER 102 lone 3 97 - 3 - HA ARG 91 - HB3 SER 102 lone 2 98 - 2 - HA GLU 35 - HB3 SER 102 lone 1 97 - 1 - HB2 SER 85 - HB3 SER 102 lone 1 94 - 1 - HA GLU 43 - HB3 SER 102 lone 1 90 - 1 - HA LEU 38 - HB3 SER 102 lone 0 57 - 1 - Peak 4464 from cnoeabs.peaks (3.81, 3.81, 63.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 102 + HB3 SER 102 OK 100 100 - 100 Peak 4465 from cnoeabs.peaks (8.29, 3.81, 63.54 ppm; 5.47 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 103 + HB3 SER 102 OK 100 100 - 100 - 4.5=100 H GLU 23 - HB3 SER 102 OK 25 90 - 27 - 4460/1.8=6, 7642/4.0=5...(6) Peak 4466 from cnoeabs.peaks (8.29, 4.30, 55.01 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 103 + HA LEU 103 OK 100 100 - 100 - 3.0=100 H GLU 23 - HA LEU 103 OK 37 90 - 41 - 4474/3.0=8, 4482/3.0=8...(9) Peak 4467 from cnoeabs.peaks (4.30, 4.30, 55.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 103 + HA LEU 103 OK 100 100 - 100 Peak 4468 from cnoeabs.peaks (1.58, 4.30, 55.01 ppm; 3.24 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LEU 103 + HA LEU 103 OK 100 100 - 100 - 3.0=100 HG LEU 103 + HA LEU 103 OK 91 100 - 92 - 3.7=68, 2.1/4499=22...(18) HB3 LEU 29 - HA LEU 103 OK 15 90 - 17 - 1.8/8678=3, ~10503=2...(6) HB2 ARG 79 - HA LEU 103 lone 7 77 - 8 - 3.0/4469=1, 3.0/4469=1 HG2 LYS 24 - HA LEU 103 lone 6 100 - 6 - 1.8/4469=1 HG3 LYS 90 - HA LEU 103 lone 6 100 - 6 - HG2 ARG 19 - HA LEU 103 lone 5 100 - 5 - HB2 ARG 30 - HA LEU 103 lone 4 65 - 6 - 2.9/4469=1 HD3 LYS 82 - HA LEU 103 lone 3 61 - 5 - 10942/3.9=1 HD3 LYS 94 - HA LEU 103 lone 3 84 - 4 - HG3 LYS 12 - HA LEU 103 lone 3 94 - 3 - HG LEU 27 - HA LEU 103 lone 3 84 - 3 - HD2 LYS 66 - HA LEU 103 lone 2 73 - 2 - HG3 LYS 73 - HA LEU 103 lone 1 84 - 1 - Peak 4469 from cnoeabs.peaks (1.52, 4.30, 55.01 ppm; 3.24 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LEU 103 + HA LEU 103 OK 100 100 - 100 - 3.0=100 HG LEU 2 - HA LEU 103 OK 28 96 - 29 - 4477/3.0=4, 4493/3.7=3...(14) HG LEU 6 - HA LEU 103 OK 10 100 - 10 - 4501/3.9=2, 4477/3.0=2...(5) HG2 ARG 79 - HA LEU 103 poor 10 90 - 11 - 4477/3.0=1, 4493/3.7=1...(4) HG3 ARG 79 - HA LEU 103 poor 9 87 - 11 - 4477/3.0=1, 4493/3.7=1...(4) HG3 ARG 30 - HA LEU 103 lone 8 97 - 8 - 4477/3.0=1 HG3 LYS 24 - HA LEU 103 lone 6 77 - 7 - HB2 LEU 14 - HA LEU 103 lone 5 100 - 5 - HB ILE 7 - HA LEU 103 lone 5 100 - 5 - HG12 ILE 56 - HA LEU 103 lone 5 96 - 5 - HG3 LYS 33 - HA LEU 103 lone 1 61 - 1 - Peak 4470 from cnoeabs.peaks (1.58, 4.30, 55.01 ppm; 3.09 A): 2 out of 14 assignments used, quality = 1.00: HB2 LEU 103 + HA LEU 103 OK 100 100 - 100 - 3.0=100 * HG LEU 103 + HA LEU 103 OK 88 100 - 88 - 3.7=59, 2.1/4499=20...(18) HB3 LEU 29 - HA LEU 103 OK 12 81 - 15 - 1.8/8678=3, ~10503=2...(6) HB3 GLU 28 - HA LEU 103 poor 8 61 - 13 - 1.8/1236=3, 4.6/6462=1...(4) HG2 LYS 24 - HA LEU 103 lone 6 99 - 6 - 1.8/4469=1 HG3 LYS 90 - HA LEU 103 lone 5 100 - 5 - HB2 ARG 79 - HA LEU 103 lone 5 65 - 7 - 3.0/4469=1, 3.0/4469=1 HG2 ARG 19 - HA LEU 103 lone 5 100 - 5 - HD3 LYS 82 - HA LEU 103 lone 4 73 - 5 - 10942/3.9=1 HD3 LYS 94 - HA LEU 103 lone 2 73 - 3 - HG3 LYS 12 - HA LEU 103 lone 2 87 - 3 - HG LEU 27 - HA LEU 103 lone 2 73 - 3 - HD2 LYS 66 - HA LEU 103 lone 1 61 - 2 - HG3 LYS 73 - HA LEU 103 lone 1 73 - 1 - Peak 4471 from cnoeabs.peaks (0.83, 4.30, 55.01 ppm; 3.12 A): 4 out of 8 assignments used, quality = 0.94: * QD2 LEU 103 + HA LEU 103 OK 87 100 - 87 - 3.9=50, 2.1/4472=14...(20) QD2 LEU 38 + HA LEU 103 OK 34 99 - 35 - 2.1/4472=6, 4479/3.0=5...(11) QD2 LEU 2 + HA LEU 103 OK 15 65 - 23 - 2.1/4469=4, 2.1/4472=3...(12) QG2 VAL 32 + HA LEU 103 OK 14 99 - 14 - 4487/3.0=2, ~8945=2...(6) QD1 LEU 57 - HA LEU 103 lone 6 100 - 6 - 4487/3.0=1 QD1 LEU 70 - HA LEU 103 lone 4 90 - 4 - QD2 LEU 70 - HA LEU 103 lone 2 61 - 3 - QG2 ILE 15 - HA LEU 103 lone 2 70 - 2 - Peak 4472 from cnoeabs.peaks (0.86, 4.30, 55.01 ppm; 3.50 A): 2 out of 5 assignments used, quality = 0.97: * QD1 LEU 103 + HA LEU 103 OK 95 100 - 95 - 3.9=71, 2.1/4499=25...(18) QD1 LEU 38 + HA LEU 103 OK 43 99 - 43 - 2.1/4471=8, 4480/3.0=7...(11) QD2 LEU 64 - HA LEU 103 OK 25 100 - 25 - 4488/3.0=4, 4480/3.0=4...(8) QD1 LEU 2 - HA LEU 103 OK 19 65 - 30 - 2.1/4469=5, 2.1/4471=4...(14) QG2 ILE 76 - HA LEU 103 lone 1 61 - 2 - Peak 4473 from cnoeabs.peaks (8.22, 4.30, 55.01 ppm; 3.45 A): 1 out of 3 assignments used, quality = 0.95: * H GLU 104 + HA LEU 103 OK 95 100 - 95 - 3.6=91, 7656/3.0=13...(7) H SER 97 - HA LEU 103 OK 28 100 - 28 - 7654/3.0=5, 4481/3.0=5...(10) H PHE 96 - HA LEU 103 OK 24 99 - 24 - 7657=7, 7656/3.0=4...(7) Peak 4474 from cnoeabs.peaks (8.29, 1.58, 42.02 ppm; 3.92 A): 1 out of 2 assignments used, quality = 0.98: * H LEU 103 + HB2 LEU 103 OK 98 100 - 98 - 4.0=91, 7650/1.8=23...(12) H GLU 23 - HB2 LEU 103 OK 33 90 - 36 - 4482/1.8=9, 4466/3.0=7...(8) Peak 4475 from cnoeabs.peaks (4.30, 1.58, 42.02 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 103 + HB2 LEU 103 OK 100 100 - 100 - 3.0=100 HA ASP 65 - HB2 LEU 103 OK 25 87 - 29 - 4483/1.8=6, 4499/3.1=5...(9) HA GLU 28 - HB2 LEU 103 OK 21 94 - 22 - 4483/1.8=5, 4499/3.1=3...(10) HA ASP 36 - HB2 LEU 103 poor 9 87 - 10 - 4483/1.8=2, 4499/3.1=2...(4) Peak 4476 from cnoeabs.peaks (1.58, 1.58, 42.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 103 + HB2 LEU 103 OK 100 100 - 100 Peak 4477 from cnoeabs.peaks (1.52, 1.58, 42.02 ppm; 2.40 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LEU 103 + HB2 LEU 103 OK 100 100 - 100 - 1.8=100 HG LEU 2 - HB2 LEU 103 OK 19 96 - 20 - 4493/3.0=2, 4501/3.1=2...(9) HG LEU 6 - HB2 LEU 103 lone 8 100 - 8 - ~10231=1, 4501/3.1=1, 4493/3.0=1 HG2 ARG 79 - HB2 LEU 103 lone 7 90 - 7 - HG3 ARG 79 - HB2 LEU 103 lone 6 87 - 7 - HG3 ARG 30 - HB2 LEU 103 lone 5 97 - 5 - HG3 LYS 24 - HB2 LEU 103 lone 5 77 - 6 - HG12 ILE 56 - HB2 LEU 103 lone 3 96 - 3 - HB2 LEU 14 - HB2 LEU 103 lone 3 100 - 3 - HB ILE 7 - HB2 LEU 103 lone 3 100 - 3 - HG3 LYS 33 - HB2 LEU 103 lone 0 61 - 1 - Peak 4478 from cnoeabs.peaks (1.58, 1.58, 42.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HB2 LEU 103 + HB2 LEU 103 OK 100 100 - 100 Reference assignment not found: HG LEU 103 - HB2 LEU 103 Peak 4479 from cnoeabs.peaks (0.83, 1.58, 42.02 ppm; 3.29 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 103 + HB2 LEU 103 OK 100 100 - 100 - 3.1=100 QD2 LEU 38 + HB2 LEU 103 OK 49 99 - 50 - 4487/1.8=8, 2.1/4480=8...(18) QD2 LEU 2 - HB2 LEU 103 OK 23 65 - 36 - 2.1/4477=5, 4487/1.8=4...(18) QG2 VAL 32 - HB2 LEU 103 OK 22 99 - 23 - 2.1/8945=5, 4487/1.8=4...(9) QD1 LEU 57 - HB2 LEU 103 lone 9 100 - 9 - 4487/1.8=2, 4495/3.0=1 QD1 LEU 70 - HB2 LEU 103 lone 5 90 - 5 - QD2 LEU 70 - HB2 LEU 103 lone 3 61 - 4 - QG2 ILE 15 - HB2 LEU 103 lone 2 70 - 3 - Peak 4480 from cnoeabs.peaks (0.86, 1.58, 42.02 ppm; 3.23 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 103 + HB2 LEU 103 OK 100 100 - 100 - 3.1=100 QD1 LEU 38 + HB2 LEU 103 OK 47 99 - 48 - 4488/1.8=8, 2.1/4479=7...(18) QD2 LEU 64 - HB2 LEU 103 OK 30 100 - 30 - 4488/1.8=5, 4496/3.0=4...(11) QD1 LEU 2 - HB2 LEU 103 OK 23 65 - 35 - 2.1/4477=5, 4488/1.8=4...(18) QG2 ILE 76 - HB2 LEU 103 lone 1 61 - 2 - Peak 4481 from cnoeabs.peaks (8.22, 1.58, 42.02 ppm; 4.61 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 104 + HB2 LEU 103 OK 100 100 - 100 - 4.3=100 H SER 97 + HB2 LEU 103 OK 50 100 - 50 - 4489/1.8=9, 3.0/10070=8...(12) H PHE 96 - HB2 LEU 103 OK 37 99 - 37 - 4489/1.8=8, 4473/3.0=7...(7) Peak 4482 from cnoeabs.peaks (8.29, 1.52, 42.02 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 103 + HB3 LEU 103 OK 100 100 - 100 - 4.0=100 H GLU 23 - HB3 LEU 103 OK 32 90 - 35 - 4474/1.8=10, 4466/3.0=8...(6) Peak 4483 from cnoeabs.peaks (4.30, 1.52, 42.02 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 103 + HB3 LEU 103 OK 100 100 - 100 - 3.0=100 HA ASP 65 - HB3 LEU 103 OK 26 87 - 30 - 4475/1.8=6, 4499/3.1=5...(10) HA GLU 28 - HB3 LEU 103 OK 21 94 - 22 - 4475/1.8=5, 4499/3.1=3...(9) HA ASP 36 - HB3 LEU 103 poor 9 87 - 10 - 4475/1.8=2, 4499/3.1=2...(5) Peak 4484 from cnoeabs.peaks (1.58, 1.52, 42.02 ppm; 2.40 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LEU 103 + HB3 LEU 103 OK 100 100 - 100 - 1.8=100 HG LEU 103 + HB3 LEU 103 OK 72 100 - 73 - 3.0=53, 2.1/4501=10...(15) HB3 LEU 29 - HB3 LEU 103 lone 5 90 - 6 - HG2 LYS 24 - HB3 LEU 103 lone 4 100 - 4 - HB2 ARG 79 - HB3 LEU 103 lone 3 77 - 4 - HG3 LYS 90 - HB3 LEU 103 lone 3 100 - 3 - HB2 ARG 30 - HB3 LEU 103 lone 3 65 - 4 - HD3 LYS 82 - HB3 LEU 103 lone 3 61 - 4 - HG2 ARG 19 - HB3 LEU 103 lone 2 100 - 2 - HD3 LYS 94 - HB3 LEU 103 lone 2 84 - 2 - HG LEU 27 - HB3 LEU 103 lone 1 84 - 1 - HG3 LYS 12 - HB3 LEU 103 lone 1 94 - 1 - HD2 LYS 66 - HB3 LEU 103 lone 1 73 - 1 - HG3 LYS 73 - HB3 LEU 103 lone 0 84 - 1 - Peak 4485 from cnoeabs.peaks (1.52, 1.52, 42.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 103 + HB3 LEU 103 OK 100 100 - 100 Peak 4486 from cnoeabs.peaks (1.58, 1.52, 42.02 ppm; 2.40 A): 2 out of 14 assignments used, quality = 1.00: HB2 LEU 103 + HB3 LEU 103 OK 100 100 - 100 - 1.8=100 * HG LEU 103 + HB3 LEU 103 OK 73 100 - 73 - 3.0=53, 2.1/4501=10...(15) HB3 LEU 29 - HB3 LEU 103 lone 4 81 - 5 - HG2 LYS 24 - HB3 LEU 103 lone 4 99 - 4 - HB3 GLU 28 - HB3 LEU 103 lone 4 61 - 6 - 3.0/4483=2 HG3 LYS 90 - HB3 LEU 103 lone 3 100 - 3 - HD3 LYS 82 - HB3 LEU 103 lone 3 73 - 4 - HB2 ARG 79 - HB3 LEU 103 lone 3 65 - 4 - HG2 ARG 19 - HB3 LEU 103 lone 2 100 - 2 - HD3 LYS 94 - HB3 LEU 103 lone 2 73 - 2 - HG LEU 27 - HB3 LEU 103 lone 1 73 - 1 - HG3 LYS 12 - HB3 LEU 103 lone 1 87 - 1 - HD2 LYS 66 - HB3 LEU 103 lone 1 61 - 1 - HG3 LYS 73 - HB3 LEU 103 lone 0 73 - 1 - Peak 4487 from cnoeabs.peaks (0.83, 1.52, 42.02 ppm; 3.32 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 103 + HB3 LEU 103 OK 100 100 - 100 - 3.1=100 QD2 LEU 38 + HB3 LEU 103 OK 50 99 - 50 - 4479/1.8=8, 2.1/4488=8...(18) QD2 LEU 2 - HB3 LEU 103 OK 24 65 - 38 - 2.1/4488=4, 4479/1.8=4...(19) QG2 VAL 32 - HB3 LEU 103 OK 24 99 - 24 - 10159=4, ~8945=4...(9) QD1 LEU 57 - HB3 LEU 103 OK 10 100 - 10 - 4479/1.8=2, 4495/3.0=1 QD1 LEU 70 - HB3 LEU 103 lone 5 90 - 6 - QD2 LEU 70 - HB3 LEU 103 lone 3 61 - 4 - QG2 ILE 15 - HB3 LEU 103 lone 3 70 - 4 - Peak 4488 from cnoeabs.peaks (0.86, 1.52, 42.02 ppm; 3.24 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 103 + HB3 LEU 103 OK 100 100 - 100 - 3.1=100 QD1 LEU 38 + HB3 LEU 103 OK 47 99 - 48 - 4480/1.8=8, 2.1/4487=7...(18) QD2 LEU 64 - HB3 LEU 103 OK 31 100 - 31 - 4480/1.8=5, 4509=4...(11) QD1 LEU 2 - HB3 LEU 103 OK 24 65 - 36 - 4480/1.8=4, 2.1/4487=3...(19) QG2 ILE 76 - HB3 LEU 103 lone 1 61 - 2 - Peak 4489 from cnoeabs.peaks (8.22, 1.52, 42.02 ppm; 4.82 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 104 + HB3 LEU 103 OK 100 100 - 100 - 4.3=100 H SER 97 + HB3 LEU 103 OK 48 100 - 48 - 4481/1.8=11, 4473/3.0=8...(9) H PHE 96 - HB3 LEU 103 OK 40 99 - 40 - 4481/1.8=8, 4473/3.0=7...(7) Peak 4490 from cnoeabs.peaks (8.29, 1.58, 27.00 ppm; 4.57 A): 2 out of 2 assignments used, quality = 0.97: * H LEU 103 + HG LEU 103 OK 95 100 - 95 - 5.3=66, 4474/3.0=28...(11) H GLU 23 + HG LEU 103 OK 37 90 - 41 - 4474/3.0=10, 4482/3.0=9...(7) Peak 4491 from cnoeabs.peaks (4.30, 1.58, 27.00 ppm; 4.72 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 103 + HG LEU 103 OK 100 100 - 100 - 3.7=100 HA ASP 65 - HG LEU 103 OK 38 87 - 44 - 9503/2.1=9, 4499/2.1=8...(10) HA GLU 28 - HG LEU 103 OK 27 94 - 29 - 4475/3.0=6, 4483/3.0=6...(7) HA ASP 36 - HG LEU 103 OK 13 87 - 15 - 4499/2.1=3, 4507/2.1=3...(6) Peak 4492 from cnoeabs.peaks (1.58, 1.58, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG LEU 103 + HG LEU 103 OK 100 100 - 100 Reference assignment not found: HB2 LEU 103 - HG LEU 103 Peak 4493 from cnoeabs.peaks (1.52, 1.58, 27.00 ppm; 2.90 A): 1 out of 11 assignments used, quality = 0.97: * HB3 LEU 103 + HG LEU 103 OK 97 100 - 97 - 3.0=93, 4501/2.1=14...(16) HG LEU 2 - HG LEU 103 OK 26 96 - 28 - 4501/2.1=4, 4509/2.1=4...(8) HG LEU 6 - HG LEU 103 OK 14 100 - 14 - ~10231=4, 4501/2.1=2...(5) HG2 ARG 79 - HG LEU 103 poor 10 90 - 11 - 4501/2.1=2, 4509/2.1=1 HG3 ARG 79 - HG LEU 103 poor 9 87 - 11 - 4501/2.1=2, 4509/2.1=1 HG3 ARG 30 - HG LEU 103 lone 7 97 - 7 - 4501/2.1=1, 4509/2.1=1 HG3 LYS 24 - HG LEU 103 lone 6 77 - 8 - HG12 ILE 56 - HG LEU 103 lone 5 96 - 5 - 4501/2.1=1 HB2 LEU 14 - HG LEU 103 lone 4 100 - 4 - HB ILE 7 - HG LEU 103 lone 4 100 - 4 - HG3 LYS 33 - HG LEU 103 lone 1 61 - 1 - Peak 4494 from cnoeabs.peaks (1.58, 1.58, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 103 + HG LEU 103 OK 100 100 - 100 Peak 4495 from cnoeabs.peaks (0.83, 1.58, 27.00 ppm; 3.59 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 103 + HG LEU 103 OK 100 100 - 100 - 2.1=100 QD2 LEU 38 + HG LEU 103 OK 56 99 - 56 - 1656/2.1=11, 2.1/4496=8...(16) QG2 VAL 32 - HG LEU 103 OK 26 99 - 27 - 2.1/8945=7, ~8945=4...(10) QD2 LEU 2 - HG LEU 103 OK 25 65 - 39 - 2.1/4493=6, 2.1/4496=4...(19) QD1 LEU 57 - HG LEU 103 OK 10 100 - 10 - 4487/3.0=1, 4479/3.0=1 QD1 LEU 70 - HG LEU 103 lone 5 90 - 6 - QD2 LEU 70 - HG LEU 103 lone 3 61 - 5 - QG2 ILE 15 - HG LEU 103 lone 3 70 - 3 - Peak 4496 from cnoeabs.peaks (0.86, 1.58, 27.00 ppm; 3.73 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 103 + HG LEU 103 OK 100 100 - 100 - 2.1=100 QD1 LEU 38 + HG LEU 103 OK 59 99 - 59 - 4504/2.1=10, 2.1/4495=9...(16) QD2 LEU 64 - HG LEU 103 OK 40 100 - 40 - 4504/2.1=6, ~2847=5...(14) QD1 LEU 2 - HG LEU 103 OK 27 65 - 42 - 2.1/4493=6, 2.1/4495=4...(21) QG2 ILE 76 - HG LEU 103 lone 2 61 - 3 - Peak 4497 from cnoeabs.peaks (8.22, 1.58, 27.00 ppm; 6.50 A): 3 out of 3 assignments used, quality = 0.98: * H GLU 104 + HG LEU 103 OK 87 100 - 87 - 4473/3.7=32, 4.6/4490=30...(10) H SER 97 + HG LEU 103 OK 64 100 - 64 - 4481/3.0=13, 4489/3.0=12...(11) H PHE 96 + HG LEU 103 OK 50 99 - 50 - 4505/2.1=10, 4489/3.0=10...(8) Peak 4498 from cnoeabs.peaks (8.29, 0.83, 23.17 ppm; 5.75 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 103 + QD2 LEU 103 OK 100 100 - 100 - 4.7=100 H GLU 23 + QD2 LEU 103 OK 47 90 - 52 - 4490/2.1=14, 4474/3.1=12...(6) Peak 4499 from cnoeabs.peaks (4.30, 0.83, 23.17 ppm; 3.21 A): 3 out of 4 assignments used, quality = 0.93: * HA LEU 103 + QD2 LEU 103 OK 89 100 - 89 - 3.9=55, 4472/2.1=15...(20) HA ASP 65 + QD2 LEU 103 OK 22 87 - 25 - 9503/2.1=4, 4475/3.1=4...(10) HA GLU 28 + QD2 LEU 103 OK 14 94 - 15 - 4475/3.1=3, 4483/3.1=3...(5) HA ASP 36 - QD2 LEU 103 lone 8 87 - 10 - 4507/2.1=1, 4483/3.1=1...(4) Peak 4500 from cnoeabs.peaks (1.58, 0.83, 23.17 ppm; 3.13 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LEU 103 + QD2 LEU 103 OK 100 100 - 100 - 3.1=100 HG LEU 103 + QD2 LEU 103 OK 100 100 - 100 - 2.1=100 HB2 ARG 79 - QD2 LEU 103 lone 7 77 - 9 - 3.0/4501=1, 3.0/4501=1 HG2 LYS 24 - QD2 LEU 103 lone 7 100 - 6 - 1.8/4501=1 HD3 LYS 82 - QD2 LEU 103 poor 6 61 - 10 - ~12331=2, ~10940=2, 4510/2.1=1 HB3 LEU 29 - QD2 LEU 103 lone 6 90 - 7 - 8676/3.9=2 HG3 LYS 90 - QD2 LEU 103 lone 5 100 - 5 - HB2 ARG 30 - QD2 LEU 103 lone 4 65 - 6 - 2.9/4501=1 HG2 ARG 19 - QD2 LEU 103 lone 4 100 - 4 - HD3 LYS 94 - QD2 LEU 103 lone 4 84 - 4 - 1.8/11009=1 HD2 LYS 66 - QD2 LEU 103 lone 2 73 - 3 - HG LEU 27 - QD2 LEU 103 lone 2 84 - 2 - HG3 LYS 12 - QD2 LEU 103 lone 2 94 - 2 - HG3 LYS 73 - QD2 LEU 103 lone 1 84 - 1 - Peak 4501 from cnoeabs.peaks (1.52, 0.83, 23.17 ppm; 2.99 A): 1 out of 11 assignments used, quality = 0.96: * HB3 LEU 103 + QD2 LEU 103 OK 96 100 - 96 - 3.1=88, 4493/2.1=17...(17) HG LEU 2 - QD2 LEU 103 OK 28 96 - 30 - 4493/2.1=5, 4509/2.1=4...(11) HG LEU 6 - QD2 LEU 103 OK 17 100 - 17 - ~10231=4, 4493/2.1=2...(6) HG2 ARG 79 - QD2 LEU 103 OK 11 90 - 12 - 4493/2.1=2, 4509/2.1=1 HG3 ARG 79 - QD2 LEU 103 poor 10 87 - 11 - 4493/2.1=2, 4509/2.1=1 HG3 ARG 30 - QD2 LEU 103 lone 8 97 - 8 - 4493/2.1=1, 4509/2.1=1 HG12 ILE 56 - QD2 LEU 103 lone 7 96 - 7 - 3.2/10674=2 HG3 LYS 24 - QD2 LEU 103 lone 5 77 - 7 - 4493/2.1=1 HB2 LEU 14 - QD2 LEU 103 lone 5 100 - 5 - HB ILE 7 - QD2 LEU 103 lone 5 100 - 4 - HG3 LYS 33 - QD2 LEU 103 lone 1 61 - 2 - Peak 4502 from cnoeabs.peaks (1.58, 0.83, 23.17 ppm; 3.02 A): 2 out of 14 assignments used, quality = 1.00: * HG LEU 103 + QD2 LEU 103 OK 100 100 - 100 - 2.1=100 HB2 LEU 103 + QD2 LEU 103 OK 97 100 - 97 - 3.1=91, 1.8/4501=17...(16) HD3 LYS 82 - QD2 LEU 103 lone 7 73 - 10 - ~12331=2, 10942/2.1=1, ~10940=1 HB3 GLU 28 - QD2 LEU 103 lone 6 61 - 10 - 3.0/4499=2, ~4491=1 HG2 LYS 24 - QD2 LEU 103 lone 6 99 - 6 - HB2 ARG 79 - QD2 LEU 103 lone 5 65 - 8 - 3.0/4501=1, 3.0/4501=1 HB3 LEU 29 - QD2 LEU 103 lone 5 81 - 6 - 8676/3.9=1 HG3 LYS 90 - QD2 LEU 103 lone 5 100 - 4 - HG2 ARG 19 - QD2 LEU 103 lone 4 100 - 3 - HD3 LYS 94 - QD2 LEU 103 lone 3 73 - 4 - 1.8/11009=1 HD2 LYS 66 - QD2 LEU 103 lone 2 61 - 3 - HG LEU 27 - QD2 LEU 103 lone 2 73 - 2 - HG3 LYS 12 - QD2 LEU 103 lone 2 87 - 2 - HG3 LYS 73 - QD2 LEU 103 lone 1 73 - 1 - Peak 4503 from cnoeabs.peaks (0.83, 0.83, 23.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 103 + QD2 LEU 103 OK 100 100 - 100 Peak 4504 from cnoeabs.peaks (0.86, 0.83, 23.17 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 103 + QD2 LEU 103 OK 100 100 - 100 - 2.1=100 QD1 LEU 38 - QD2 LEU 103 OK 37 99 - 37 - 1663=10, 4496/2.1=3...(18) QD2 LEU 64 - QD2 LEU 103 OK 20 100 - 20 - 4511=3, 4496/2.1=2...(9) QD1 LEU 2 - QD2 LEU 103 OK 11 65 - 17 - 2.1/4501=3, 4496/2.1=2...(6) QG2 ILE 76 - QD2 LEU 103 lone 1 61 - 1 - Peak 4505 from cnoeabs.peaks (8.22, 0.83, 23.17 ppm; 4.92 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 104 + QD2 LEU 103 OK 100 100 - 100 - 4.9=100 H SER 97 - QD2 LEU 103 OK 44 100 - 44 - 4481/3.1=9, 4489/3.1=9...(8) H PHE 96 - QD2 LEU 103 OK 38 99 - 38 - 4489/3.1=7, 4481/3.1=7...(7) Peak 4506 from cnoeabs.peaks (8.29, 0.86, 25.07 ppm; 4.71 A): 1 out of 4 assignments used, quality = 0.99: * H LEU 103 + QD1 LEU 103 OK 99 100 - 99 - 4.7=99 H GLU 23 - QD1 LEU 103 OK 39 90 - 43 - 4490/2.1=11, 4474/3.1=10...(6) H LEU 103 - QD2 LEU 64 OK 20 58 - 34 - 7653=7, 3.0/4472=6...(7) H GLU 23 - QD2 LEU 64 lone 4 47 - 8 - 6370/4.5=2 Peak 4507 from cnoeabs.peaks (4.30, 0.86, 25.07 ppm; 4.07 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 103 + QD1 LEU 103 OK 100 100 - 100 - 3.9=100 HA ASP 65 - QD1 LEU 103 OK 39 87 - 45 - 3.0/7052=10, 9503=9...(9) HA ASP 65 - QD2 LEU 64 OK 37 44 - 83 - 9503=20, 3.0/7052=18...(21) HA GLU 28 - QD1 LEU 103 OK 24 94 - 25 - 4499/2.1=5, 4475/3.1=5...(6) HA LEU 103 - QD2 LEU 64 OK 20 58 - 34 - 4472=7, 3.0/4488=6...(8) HA ASP 36 - QD1 LEU 103 OK 16 87 - 18 - 4499/2.1=3, 4491/2.1=2...(8) HA ASP 36 - QD2 LEU 64 poor 5 44 - 11 - 10535/3.1=2, 8949/6602=2...(4) HA GLU 28 - QD2 LEU 64 lone 4 50 - 8 - 7054/4.9=3, ~6452=1 Peak 4508 from cnoeabs.peaks (1.58, 0.86, 25.07 ppm; 3.01 A): 2 out of 28 assignments used, quality = 1.00: HG LEU 103 + QD1 LEU 103 OK 100 100 - 100 - 2.1=100 * HB2 LEU 103 + QD1 LEU 103 OK 96 100 - 96 - 3.1=89, 1.8/4509=14...(16) HG LEU 103 - QD2 LEU 64 OK 17 57 - 30 - 4496=5, 2.1/4504=4...(11) HB2 LEU 103 - QD2 LEU 64 OK 17 58 - 29 - 4480=6, 1.8/4488=5...(11) HD3 LYS 82 - QD1 LEU 103 poor 9 61 - 15 - 3.5/9756=3, 3.0/12331=2...(5) HD2 LYS 66 - QD2 LEU 64 poor 8 36 - 22 - ~9485=3, 5.1/9513=3...(11) HD3 LYS 82 - QD2 LEU 64 poor 6 29 - 22 - 3.5/9756=6, 3.5/9758=4...(8) HG2 LYS 24 - QD1 LEU 103 lone 6 100 - 6 - HB2 ARG 79 - QD1 LEU 103 lone 6 77 - 8 - 3.0/4509=1, 3.0/4509=1 HB3 LEU 29 - QD1 LEU 103 lone 5 90 - 6 - 8676/3.9=2 HG3 LYS 90 - QD1 LEU 103 lone 4 100 - 4 - HG2 ARG 19 - QD1 LEU 103 lone 3 100 - 3 - HB2 ARG 30 - QD1 LEU 103 lone 3 65 - 5 - HG LEU 27 - QD2 LEU 64 lone 3 42 - 7 - HD3 LYS 94 - QD1 LEU 103 lone 3 84 - 4 - HD3 LYS 94 - QD2 LEU 64 lone 3 42 - 7 - HD2 LYS 66 - QD1 LEU 103 lone 2 73 - 3 - HG LEU 27 - QD1 LEU 103 lone 2 84 - 2 - HB2 ARG 79 - QD2 LEU 64 lone 2 38 - 5 - ~9486=2, ~10243=1 HG3 LYS 12 - QD1 LEU 103 lone 2 94 - 2 - HG2 LYS 24 - QD2 LEU 64 lone 1 58 - 3 - 1094/4.5=1 HG3 LYS 73 - QD2 LEU 64 lone 1 42 - 3 - HG2 ARG 19 - QD2 LEU 64 lone 1 58 - 2 - HG3 LYS 73 - QD1 LEU 103 lone 1 84 - 1 - HB3 LEU 29 - QD2 LEU 64 lone 1 47 - 2 - HG3 LYS 12 - QD2 LEU 64 lone 1 50 - 1 - HG3 LYS 90 - QD2 LEU 64 lone 1 58 - 1 - HB2 ARG 30 - QD2 LEU 64 lone 0 31 - 1 - Peak 4509 from cnoeabs.peaks (1.52, 0.86, 25.07 ppm; 3.07 A): 1 out of 22 assignments used, quality = 0.99: * HB3 LEU 103 + QD1 LEU 103 OK 99 100 - 99 - 3.1=96, 4493/2.1=18...(18) HG LEU 2 - QD1 LEU 103 OK 30 96 - 32 - 4493/2.1=5, 4501/2.1=5...(14) HB3 LEU 103 - QD2 LEU 64 OK 18 58 - 30 - 4488=7, 1.8/4480=5...(11) HG LEU 6 - QD1 LEU 103 OK 16 100 - 17 - 3.0/10231=6, 4501/2.1=3...(5) HG2 ARG 79 - QD1 LEU 103 OK 11 90 - 12 - 4493/2.1=2, 4501/2.1=2 HG3 ARG 79 - QD1 LEU 103 OK 10 87 - 12 - 4493/2.1=2, 4501/2.1=2...(4) HG3 ARG 30 - QD1 LEU 103 lone 8 97 - 8 - 4501/2.1=1, 4493/2.1=1 HB2 LEU 14 - QD2 LEU 64 poor 6 58 - 11 - ~9474=1, ~9477=1, ~10244=1 HG12 ILE 56 - QD1 LEU 103 lone 6 96 - 6 - 4501/2.1=1 HG3 LYS 24 - QD1 LEU 103 lone 6 77 - 7 - 4493/2.1=1 HB2 LEU 14 - QD1 LEU 103 lone 5 100 - 5 - HB ILE 7 - QD1 LEU 103 lone 5 100 - 5 - HG LEU 6 - QD2 LEU 64 lone 4 58 - 7 - 3.0/10231=3, ~9477=1 HG12 ILE 56 - QD2 LEU 64 lone 1 52 - 3 - HG2 ARG 79 - QD2 LEU 64 lone 1 47 - 3 - HG3 ARG 79 - QD2 LEU 64 lone 1 44 - 3 - HG LEU 2 - QD2 LEU 64 lone 1 52 - 2 - HG3 LYS 24 - QD2 LEU 64 lone 1 38 - 2 - HG3 LYS 33 - QD1 LEU 103 lone 1 61 - 1 - HB ILE 7 - QD2 LEU 64 lone 1 58 - 1 - HG3 ARG 30 - QD2 LEU 64 lone 0 53 - 1 - HG3 LYS 33 - QD2 LEU 64 lone 0 29 - 1 - Peak 4510 from cnoeabs.peaks (1.58, 0.86, 25.07 ppm; 2.93 A): 2 out of 28 assignments used, quality = 1.00: * HG LEU 103 + QD1 LEU 103 OK 100 100 - 100 - 2.1=100 HB2 LEU 103 + QD1 LEU 103 OK 94 100 - 94 - 3.1=83, 1.8/4509=13...(16) HG LEU 103 - QD2 LEU 64 OK 17 58 - 29 - 2.1/4504=4, 4496=4...(11) HB2 LEU 103 - QD2 LEU 64 OK 16 57 - 27 - 4480=6, 1.8/4488=4...(11) HD3 LYS 82 - QD1 LEU 103 OK 11 73 - 15 - 3.5/9756=3, 3.0/12331=2...(5) HD3 LYS 82 - QD2 LEU 64 poor 8 36 - 22 - 3.5/9756=6, 3.5/9758=4...(9) HG2 LYS 24 - QD1 LEU 103 lone 6 99 - 6 - HD2 LYS 66 - QD2 LEU 64 poor 6 29 - 20 - ~9485=3, 5.1/9513=2...(7) HB3 GLU 28 - QD1 LEU 103 lone 6 61 - 9 - 3.0/4507=1, ~4491=1 HB2 ARG 79 - QD1 LEU 103 lone 5 65 - 7 - 3.0/4509=1, 3.0/4509=1 HB3 LEU 29 - QD1 LEU 103 lone 4 81 - 5 - 8676/3.9=1 HG3 LYS 90 - QD1 LEU 103 lone 4 100 - 4 - HG2 ARG 19 - QD1 LEU 103 lone 3 100 - 3 - HD3 LYS 94 - QD1 LEU 103 lone 2 73 - 3 - HG LEU 27 - QD2 LEU 64 lone 2 36 - 7 - HD3 LYS 94 - QD2 LEU 64 lone 2 36 - 6 - HG LEU 27 - QD1 LEU 103 lone 2 73 - 2 - HG3 LYS 12 - QD1 LEU 103 lone 1 87 - 2 - HD2 LYS 66 - QD1 LEU 103 lone 1 61 - 2 - HG2 LYS 24 - QD2 LEU 64 lone 1 57 - 2 - 1094/4.5=1 HB2 ARG 79 - QD2 LEU 64 lone 1 31 - 4 - ~9486=2, ~10243=1 HG2 ARG 19 - QD2 LEU 64 lone 1 57 - 1 - HG3 LYS 73 - QD2 LEU 64 lone 1 36 - 2 - HG3 LYS 73 - QD1 LEU 103 lone 1 73 - 1 - HG3 LYS 90 - QD2 LEU 64 lone 1 58 - 1 - HB3 LEU 29 - QD2 LEU 64 lone 1 40 - 1 - HG3 LYS 12 - QD2 LEU 64 lone 0 44 - 1 - HB3 GLU 28 - QD2 LEU 64 lone 0 29 - 1 - Peak 4511 from cnoeabs.peaks (0.83, 0.86, 25.07 ppm; 2.40 A): 1 out of 16 assignments used, quality = 1.00: * QD2 LEU 103 + QD1 LEU 103 OK 100 100 - 100 - 2.1=100 QD2 LEU 38 - QD1 LEU 103 OK 39 99 - 40 - 1656=11, 4495/2.1=3...(17) QD2 LEU 103 - QD2 LEU 64 OK 13 58 - 22 - 4504=6, 2.1/4496=2...(9) QG2 VAL 32 - QD1 LEU 103 OK 11 99 - 11 - ~8945=2, 4495/2.1=2...(4) QD2 LEU 2 - QD1 LEU 103 OK 11 65 - 17 - 2.1/4509=2, 4495/2.1=2...(6) QD2 LEU 38 - QD2 LEU 64 OK 11 57 - 19 - 1656=5, 3.1/1632=2...(8) QD1 LEU 57 - QD1 LEU 103 lone 5 100 - 4 - QD1 LEU 70 - QD1 LEU 103 lone 3 90 - 4 - QD2 LEU 70 - QD1 LEU 103 lone 2 61 - 3 - QD1 LEU 57 - QD2 LEU 64 lone 1 58 - 2 - QG2 VAL 32 - QD2 LEU 64 lone 1 56 - 2 - QG2 ILE 15 - QD1 LEU 103 lone 1 70 - 1 - QD1 LEU 70 - QD2 LEU 64 lone 1 47 - 1 - QD2 LEU 2 - QD2 LEU 64 lone 0 31 - 1 - QG2 ILE 15 - QD2 LEU 64 lone 0 33 - 1 - QD2 LEU 70 - QD2 LEU 64 lone 0 29 - 1 - Peak 4512 from cnoeabs.peaks (0.86, 0.86, 25.07 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 103 + QD1 LEU 103 OK 100 100 - 100 QD2 LEU 64 + QD2 LEU 64 OK 58 58 - 100 Peak 4513 from cnoeabs.peaks (8.22, 0.86, 25.07 ppm; 5.91 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 104 + QD1 LEU 103 OK 100 100 - 100 - 4.9=100 H SER 97 + QD1 LEU 103 OK 57 100 - 57 - 4481/3.1=12, 4505/2.1=12...(8) H PHE 96 + QD1 LEU 103 OK 49 99 - 49 - 4505/2.1=10, 4489/3.1=9...(8) H GLU 104 - QD2 LEU 64 OK 28 58 - 48 - 3.0/11076=10, 7662=7...(12) H SER 97 - QD2 LEU 64 poor 7 58 - 12 - ~10068=1 H PHE 96 - QD2 LEU 64 lone 5 57 - 9 - 7662=1 Peak 4514 from cnoeabs.peaks (8.22, 4.13, 56.52 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 104 + HA GLU 104 OK 100 100 - 100 - 3.0=100 H PHE 96 - HA GLU 104 OK 27 99 - 27 - 7663=7, 4528/3.0=5...(9) H SER 97 - HA GLU 104 OK 15 100 - 15 - 4528/3.0=3, 4521/3.0=3...(6) Peak 4515 from cnoeabs.peaks (4.13, 4.13, 56.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 104 + HA GLU 104 OK 100 100 - 100 Peak 4516 from cnoeabs.peaks (1.81, 4.13, 56.52 ppm; 3.30 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLU 104 + HA GLU 104 OK 100 100 - 100 - 3.0=100 HB2 GLU 88 - HA GLU 104 OK 38 100 - 39 - 4522=7, 4530/3.0=6...(15) HB2 LYS 39 - HA GLU 104 OK 17 90 - 19 - 1.8/4517=4, 4530/3.0=3...(7) HB ILE 93 - HA GLU 104 OK 12 98 - 12 - 7664/3.0=2, ~7547=2...(5) HB2 LYS 90 - HA GLU 104 OK 11 100 - 11 - 4530/3.0=2, 4544/4.1=2...(4) HB2 LEU 42 - HA GLU 104 lone 5 100 - 5 - HB3 LEU 57 - HA GLU 104 lone 4 77 - 4 - HG2 ARG 46 - HA GLU 104 lone 1 73 - 1 - Peak 4517 from cnoeabs.peaks (1.87, 4.13, 56.52 ppm; 3.28 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLU 104 + HA GLU 104 OK 100 100 - 100 - 3.0=100 HB3 LYS 39 - HA GLU 104 OK 19 96 - 20 - 1.8/4516=3, 4524/3.0=3...(7) HB3 LYS 66 - HA GLU 104 lone 7 94 - 8 - 4.0/7060=3 HB3 LYS 12 - HA GLU 104 lone 7 99 - 7 - 7665/3.0=1, 4524/3.0=1 HB3 LYS 68 - HA GLU 104 lone 7 100 - 7 - 7665/3.0=1 HB2 LYS 12 - HA GLU 104 lone 7 98 - 7 - 7665/3.0=1 HB VAL 5 - HA GLU 104 lone 2 94 - 2 - HB VAL 54 - HA GLU 104 lone 1 77 - 1 - HB2 LYS 20 - HA GLU 104 lone 1 61 - 2 - Peak 4518 from cnoeabs.peaks (2.15, 4.13, 56.52 ppm; 3.80 A): 2 out of 8 assignments used, quality = 0.95: * HG2 GLU 104 + HA GLU 104 OK 92 100 - 92 - 4.1=81, 1.8/4519=16...(10) HG2 GLU 88 + HA GLU 104 OK 36 98 - 37 - 3.0/4516=7, 4532/3.0=6...(14) HB3 GLU 23 - HA GLU 104 OK 33 98 - 34 - 1.8/4519=6, 4532/3.0=6...(12) HB3 GLU 95 - HA GLU 104 OK 24 90 - 26 - 4.6/4514=4, 7666/3.0=3...(13) HB3 GLU 16 - HA GLU 104 lone 2 65 - 3 - HB2 GLN 72 - HA GLU 104 lone 2 73 - 2 - HB2 GLU 75 - HA GLU 104 lone 1 87 - 1 - HG2 GLU 44 - HA GLU 104 lone 1 84 - 1 - Peak 4519 from cnoeabs.peaks (2.10, 4.13, 56.52 ppm; 3.86 A): 2 out of 9 assignments used, quality = 0.97: * HG3 GLU 104 + HA GLU 104 OK 95 100 - 95 - 4.1=85, 1.8/4536=22...(11) HB3 GLU 62 + HA GLU 104 OK 39 94 - 42 - 2742=11, 1.8/2735=8...(14) HB2 GLU 23 - HA GLU 104 OK 34 90 - 38 - 1.8/4518=7, 4533/3.0=5...(14) HB2 LEU 64 - HA GLU 104 OK 16 77 - 20 - 4.6/7044=4, 3.1/11076=4...(6) HB VAL 83 - HA GLU 104 OK 10 77 - 13 - ~9816=2, 4533/3.0=2...(6) QE MET 21 - HA GLU 104 lone 7 100 - 7 - 4533/3.0=1, 7667/3.0=1 HB3 PRO 86 - HA GLU 104 lone 5 97 - 5 - HB3 GLU 35 - HA GLU 104 lone 3 70 - 4 - HG3 GLU 37 - HA GLU 104 lone 2 87 - 3 - Peak 4521 from cnoeabs.peaks (8.22, 1.81, 29.84 ppm; 3.80 A): 2 out of 6 assignments used, quality = 0.95: * H GLU 104 + HB2 GLU 104 OK 93 100 - 93 - 4.0=84, 4528/1.8=25...(7) H PHE 96 + HB2 GLU 104 OK 29 99 - 29 - 4528/1.8=8, 4514/3.0=6...(5) H GLU 104 - HB2 GLU 88 OK 26 90 - 29 - 3.0/4516=7, 7664=5...(8) H SER 97 - HB2 GLU 104 OK 18 100 - 18 - 4528/1.8=5, 4535/3.0=4...(5) H SER 97 - HB2 GLU 88 lone 8 90 - 9 - 10062/1.8=3, 7565/4120=1 H PHE 96 - HB2 GLU 88 lone 8 88 - 9 - 7664=1 Peak 4522 from cnoeabs.peaks (4.13, 1.81, 29.84 ppm; 3.56 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 104 + HB2 GLU 104 OK 100 100 - 100 - 3.0=100 HA GLU 104 - HB2 GLU 88 OK 40 90 - 45 - 4516=10, 3.0/4530=6...(17) HA GLU 62 - HB2 GLU 104 OK 33 99 - 33 - 4529/1.8=7, 4543/3.0=5...(12) HA GLU 23 - HB2 GLU 104 OK 17 57 - 30 - 4529/1.8=4, 4536/3.0=3...(13) HA GLU 23 - HB2 GLU 88 OK 15 46 - 33 - 3.6/3872=4, ~3883=3...(16) HA GLU 62 - HB2 GLU 88 lone 7 87 - 8 - 9923/4.3=2, 2727/1.8=2 HA GLU 99 - HB2 GLU 104 lone 6 100 - 6 - 4529/1.8=1 HA LYS 47 - HB2 GLU 88 lone 3 57 - 6 - ~3869=2 HA GLU 99 - HB2 GLU 88 lone 2 89 - 2 - 9923/4.3=1 HA LYS 47 - HB2 GLU 104 lone 1 70 - 2 - Peak 4523 from cnoeabs.peaks (1.81, 1.81, 29.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 104 + HB2 GLU 104 OK 100 100 - 100 HB2 GLU 88 + HB2 GLU 88 OK 90 90 - 100 Peak 4524 from cnoeabs.peaks (1.87, 1.81, 29.84 ppm; 2.40 A): 1 out of 18 assignments used, quality = 1.00: * HB3 GLU 104 + HB2 GLU 104 OK 100 100 - 100 - 1.8=100 HB3 GLU 104 - HB2 GLU 88 OK 26 90 - 29 - 4530=9, 3.0/4537=3...(12) HB3 LYS 39 - HB2 GLU 104 OK 15 96 - 16 - 1693=2, 4538/3.0=2...(6) HB3 LYS 12 - HB2 GLU 104 lone 5 99 - 5 - HB2 LYS 12 - HB2 GLU 104 lone 5 98 - 5 - HB3 LYS 68 - HB2 GLU 104 lone 5 100 - 5 - HB3 LYS 39 - HB2 GLU 88 lone 3 83 - 4 - HB3 LYS 66 - HB2 GLU 104 lone 3 94 - 3 - HB3 LYS 68 - HB2 GLU 88 lone 2 90 - 2 - HB2 LYS 20 - HB2 GLU 88 lone 2 50 - 4 - HB VAL 5 - HB2 GLU 104 lone 1 94 - 1 - HB3 LYS 66 - HB2 GLU 88 lone 1 81 - 1 - HB3 LYS 12 - HB2 GLU 88 lone 1 88 - 1 - HB2 LYS 12 - HB2 GLU 88 lone 1 86 - 1 - HB2 LYS 20 - HB2 GLU 104 lone 1 61 - 1 - HB VAL 54 - HB2 GLU 104 lone 1 77 - 1 - HB VAL 5 - HB2 GLU 88 lone 0 81 - 0 - HB VAL 54 - HB2 GLU 88 lone 0 64 - 0 - Peak 4525 from cnoeabs.peaks (2.15, 1.81, 29.84 ppm; 3.15 A): 2 out of 16 assignments used, quality = 1.00: * HG2 GLU 104 + HB2 GLU 104 OK 100 100 - 100 - 3.0=100 HG2 GLU 88 + HB2 GLU 88 OK 86 86 - 100 - 3.0=100 HG2 GLU 88 - HB2 GLU 104 OK 39 98 - 41 - 4532/1.8=6, 3888=6...(17) HG2 GLU 104 - HB2 GLU 88 OK 39 90 - 44 - 4537=8, 3883/1.8=7...(19) HB3 GLU 23 - HB2 GLU 88 OK 35 86 - 41 - 3883/1.8=7, 3866/3.0=5...(15) HB3 GLU 23 - HB2 GLU 104 OK 31 98 - 32 - 4532/1.8=5, 4546/3.0=4...(11) HB3 GLU 95 - HB2 GLU 104 OK 10 90 - 11 - 4518/3.0=2, 4.6/4521=2...(5) HB2 GLU 75 - HB2 GLU 88 lone 5 73 - 7 - 3883/1.8=1, 3866/3.0=1 HB3 GLU 95 - HB2 GLU 88 lone 3 76 - 4 - HB3 GLU 16 - HB2 GLU 88 lone 3 53 - 5 - HB2 GLN 72 - HB2 GLU 88 lone 2 60 - 3 - HB2 GLU 75 - HB2 GLU 104 lone 1 87 - 1 - HB2 GLN 72 - HB2 GLU 104 lone 1 73 - 2 - HG2 GLU 44 - HB2 GLU 88 lone 1 70 - 2 - HB3 GLU 16 - HB2 GLU 104 lone 1 65 - 2 - HG2 GLU 44 - HB2 GLU 104 lone 1 84 - 1 - Peak 4526 from cnoeabs.peaks (2.10, 1.81, 29.84 ppm; 2.82 A): 3 out of 18 assignments used, quality = 0.93: * HG3 GLU 104 + HB2 GLU 104 OK 86 100 - 86 - 3.0=82, 4519/3.0=7...(5) HG3 GLU 104 + HB2 GLU 88 OK 29 90 - 33 - 4544=5, 1.8/4537=5...(12) HB VAL 83 + HB2 GLU 88 OK 27 64 - 43 - 2.1/9816=8, 2.1/9813=6...(14) HB2 GLU 23 - HB2 GLU 104 OK 22 90 - 25 - 4533/1.8=4, 4540/3.0=3...(10) HB2 GLU 23 - HB2 GLU 88 OK 21 76 - 28 - ~3883=3, 1026/3.9=3...(15) HB3 GLU 62 - HB2 GLU 104 OK 19 94 - 21 - 4533/1.8=3, 2742/3.0=3...(10) QE MET 21 - HB2 GLU 88 OK 16 90 - 18 - 8543/3.0=5, 8538/3.9=3...(4) HB3 PRO 86 - HB2 GLU 88 OK 14 84 - 16 - 9857/4.3=3, 3.9/9901=2...(6) HB VAL 83 - HB2 GLU 104 poor 9 77 - 12 - 2.1/9816=2, 2.1/9813=2...(5) QE MET 21 - HB2 GLU 104 lone 7 100 - 7 - HB3 GLU 35 - HB2 GLU 88 poor 7 57 - 12 - 4.0/9920=1, ~10306=1 HB2 LEU 64 - HB2 GLU 104 lone 4 77 - 5 - ~11076=1, 4519/3.0=1 HB3 PRO 86 - HB2 GLU 104 lone 4 97 - 4 - HB3 GLU 62 - HB2 GLU 88 lone 4 81 - 4 - HB2 LEU 64 - HB2 GLU 88 lone 2 64 - 4 - HB3 GLU 35 - HB2 GLU 104 lone 2 70 - 3 - HG3 GLU 37 - HB2 GLU 104 lone 1 87 - 2 - HG3 GLU 37 - HB2 GLU 88 lone 1 73 - 2 - Peak 4528 from cnoeabs.peaks (8.22, 1.87, 29.84 ppm; 3.80 A): 2 out of 3 assignments used, quality = 0.95: * H GLU 104 + HB3 GLU 104 OK 92 100 - 92 - 4.0=84, 4521/1.8=19...(7) H PHE 96 + HB3 GLU 104 OK 28 99 - 28 - 7665=8, 4521/1.8=6...(6) H SER 97 - HB3 GLU 104 OK 17 100 - 17 - 4521/1.8=4, 4535/3.0=4...(5) Peak 4529 from cnoeabs.peaks (4.13, 1.87, 29.84 ppm; 3.61 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 104 + HB3 GLU 104 OK 100 100 - 100 - 3.0=100 HA GLU 62 - HB3 GLU 104 OK 34 99 - 34 - 4543/3.0=6, 4522/1.8=5...(12) HA GLU 23 - HB3 GLU 104 OK 19 57 - 33 - 3.0/4532=5, 3.0/4533=5...(15) HA GLU 99 - HB3 GLU 104 lone 6 100 - 6 - 4522/1.8=1 HA LYS 47 - HB3 GLU 104 lone 1 70 - 2 - Peak 4530 from cnoeabs.peaks (1.81, 1.87, 29.84 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLU 104 + HB3 GLU 104 OK 100 100 - 100 - 1.8=100 HB2 GLU 88 - HB3 GLU 104 OK 28 100 - 28 - 4524=7, 4537/3.0=3...(12) HB2 LYS 39 - HB3 GLU 104 OK 14 90 - 15 - 1683=2, ~4524=1...(5) HB2 LYS 90 - HB3 GLU 104 lone 8 100 - 8 - 4544/3.0=1 HB ILE 93 - HB3 GLU 104 lone 5 98 - 5 - HB2 LEU 42 - HB3 GLU 104 lone 3 100 - 3 - HB3 LEU 57 - HB3 GLU 104 lone 2 77 - 3 - HG2 ARG 46 - HB3 GLU 104 lone 1 73 - 1 - Peak 4531 from cnoeabs.peaks (1.87, 1.87, 29.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 104 + HB3 GLU 104 OK 100 100 - 100 Peak 4532 from cnoeabs.peaks (2.15, 1.87, 29.84 ppm; 3.53 A): 1 out of 8 assignments used, quality = 1.00: * HG2 GLU 104 + HB3 GLU 104 OK 100 100 - 100 - 3.0=100 HG2 GLU 88 - HB3 GLU 104 OK 41 98 - 42 - 3888/1.8=7, 3.0/4530=6...(18) HB3 GLU 23 - HB3 GLU 104 OK 36 98 - 37 - 1.8/4533=6, 4518/3.0=4...(15) HB3 GLU 95 - HB3 GLU 104 OK 13 90 - 14 - 4.6/4528=3, 4518/3.0=3...(5) HB3 GLU 16 - HB3 GLU 104 lone 2 65 - 2 - HB2 GLN 72 - HB3 GLU 104 lone 2 73 - 2 - HB2 GLU 75 - HB3 GLU 104 lone 1 87 - 1 - HG2 GLU 44 - HB3 GLU 104 lone 1 84 - 1 - Peak 4533 from cnoeabs.peaks (2.10, 1.87, 29.84 ppm; 3.42 A): 1 out of 9 assignments used, quality = 1.00: * HG3 GLU 104 + HB3 GLU 104 OK 100 100 - 100 - 3.0=100 HB2 GLU 23 - HB3 GLU 104 OK 32 90 - 35 - 1.8/4532=6, 4540/3.0=4...(15) HB3 GLU 62 - HB3 GLU 104 OK 27 94 - 28 - 3.0/4529=5, 2742/3.0=5...(11) HB VAL 83 - HB3 GLU 104 OK 10 77 - 13 - ~9816=2, ~9813=2...(6) QE MET 21 - HB3 GLU 104 lone 7 100 - 7 - 4526/1.8=1 HB2 LEU 64 - HB3 GLU 104 lone 6 77 - 8 - ~11076=2, 4519/3.0=2, 4.6/9492=1 HB3 PRO 86 - HB3 GLU 104 lone 3 97 - 3 - HB3 GLU 35 - HB3 GLU 104 lone 2 70 - 3 - HG3 GLU 37 - HB3 GLU 104 lone 2 87 - 2 - Peak 4535 from cnoeabs.peaks (8.22, 2.15, 35.78 ppm; 4.20 A): 3 out of 3 assignments used, quality = 0.92: * H GLU 104 + HG2 GLU 104 OK 87 100 - 87 - 4.9=62, 4528/3.0=23...(6) H PHE 96 + HG2 GLU 104 OK 30 99 - 30 - 4542/1.8=7, 4528/3.0=7...(7) H SER 97 + HG2 GLU 104 OK 19 100 - 19 - 4542/1.8=5, 4528/3.0=4...(5) Peak 4536 from cnoeabs.peaks (4.13, 2.15, 35.78 ppm; 3.97 A): 1 out of 5 assignments used, quality = 0.97: * HA GLU 104 + HG2 GLU 104 OK 97 100 - 97 - 4.1=92, 3.0/4535=18...(10) HA GLU 62 - HG2 GLU 104 OK 32 99 - 33 - 4543/1.8=8, 4529/3.0=7...(10) HA GLU 23 - HG2 GLU 104 OK 20 57 - 35 - 3.0/4540=5, 4543/1.8=4...(17) HA GLU 99 - HG2 GLU 104 lone 6 100 - 5 - 4543/1.8=1, 4529/3.0=1 HA LYS 47 - HG2 GLU 104 lone 2 70 - 2 - Peak 4537 from cnoeabs.peaks (1.81, 2.15, 35.78 ppm; 3.53 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLU 104 + HG2 GLU 104 OK 100 100 - 100 - 3.0=100 HB2 GLU 88 + HG2 GLU 104 OK 50 100 - 51 - 4544/1.8=8, 1.8/3883=8...(21) HB2 LYS 39 - HG2 GLU 104 OK 21 90 - 24 - 1.8/4538=5, 4544/1.8=4...(6) HB2 LYS 90 - HG2 GLU 104 OK 18 100 - 18 - 4544/1.8=4, 4530/3.0=2...(5) HB ILE 93 - HG2 GLU 104 OK 12 98 - 12 - 4544/1.8=2, ~10319=2...(5) HB2 LEU 42 - HG2 GLU 104 lone 5 100 - 5 - 4544/1.8=1 HB3 LEU 57 - HG2 GLU 104 lone 5 77 - 7 - ~9362=1, 4544/1.8=1 HG2 ARG 46 - HG2 GLU 104 lone 1 73 - 2 - Peak 4538 from cnoeabs.peaks (1.87, 2.15, 35.78 ppm; 3.28 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLU 104 + HG2 GLU 104 OK 100 100 - 100 - 3.0=100 HB3 LYS 39 - HG2 GLU 104 OK 20 96 - 21 - 4545/1.8=5, 1.8/4537=3...(8) HB3 LYS 12 - HG2 GLU 104 lone 7 99 - 7 - 4545/1.8=2, ~4545=1, 4524/3.0=1 HB2 LYS 12 - HG2 GLU 104 lone 7 98 - 7 - 4545/1.8=2, ~4545=1 HB3 LYS 68 - HG2 GLU 104 lone 7 100 - 7 - 4545/1.8=2 HB3 LYS 66 - HG2 GLU 104 lone 5 94 - 5 - 4545/1.8=1 HB VAL 5 - HG2 GLU 104 lone 2 94 - 2 - HB2 LYS 20 - HG2 GLU 104 lone 1 61 - 2 - HB VAL 54 - HG2 GLU 104 lone 1 77 - 1 - Peak 4539 from cnoeabs.peaks (2.15, 2.15, 35.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 104 + HG2 GLU 104 OK 100 100 - 100 Peak 4540 from cnoeabs.peaks (2.10, 2.15, 35.78 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * HG3 GLU 104 + HG2 GLU 104 OK 100 100 - 100 - 1.8=100 HB2 GLU 23 - HG2 GLU 104 OK 16 90 - 18 - 1023=3, 4533/3.0=2...(8) HB3 GLU 62 - HG2 GLU 104 OK 11 94 - 12 - 3.0/4536=2, 4533/3.0=2...(6) HB VAL 83 - HG2 GLU 104 lone 3 77 - 4 - QE MET 21 - HG2 GLU 104 lone 3 100 - 3 - HB2 LEU 64 - HG2 GLU 104 lone 2 77 - 2 - HB3 PRO 86 - HG2 GLU 104 lone 1 97 - 1 - HB3 GLU 35 - HG2 GLU 104 lone 1 70 - 1 - HG3 GLU 37 - HG2 GLU 104 lone 1 87 - 1 - Peak 4542 from cnoeabs.peaks (8.22, 2.10, 35.78 ppm; 4.59 A): 1 out of 3 assignments used, quality = 0.95: * H GLU 104 + HG3 GLU 104 OK 95 100 - 95 - 4.9=81, 4535/1.8=28...(7) H PHE 96 - HG3 GLU 104 OK 34 99 - 34 - 4535/1.8=10, 4528/3.0=8...(6) H SER 97 - HG3 GLU 104 OK 22 100 - 22 - 4535/1.8=6, 4528/3.0=5...(5) Peak 4543 from cnoeabs.peaks (4.13, 2.10, 35.78 ppm; 4.08 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 104 + HG3 GLU 104 OK 100 100 - 100 - 4.1=100 HA GLU 62 - HG3 GLU 104 OK 40 99 - 40 - 4536/1.8=8, 4529/3.0=7...(12) HA GLU 23 - HG3 GLU 104 OK 20 57 - 35 - 3.0/4546=5, 4536/1.8=5...(15) HA GLU 99 - HG3 GLU 104 lone 6 100 - 6 - 4536/1.8=1, 4529/3.0=1 HA LYS 47 - HG3 GLU 104 lone 2 70 - 3 - Peak 4544 from cnoeabs.peaks (1.81, 2.10, 35.78 ppm; 3.54 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLU 104 + HG3 GLU 104 OK 100 100 - 100 - 3.0=100 HB2 GLU 88 + HG3 GLU 104 OK 48 100 - 48 - 4537/1.8=8, 4530/3.0=6...(19) HB2 LYS 39 - HG3 GLU 104 OK 22 90 - 25 - 1.8/4545=5, 4537/1.8=4...(6) HB2 LYS 90 - HG3 GLU 104 OK 22 100 - 22 - 4537/1.8=3, 10308=3...(7) HB ILE 93 - HG3 GLU 104 OK 13 98 - 13 - 2.1/10319=3, 4537/1.8=2...(5) HB3 LEU 57 - HG3 GLU 104 lone 6 77 - 8 - 1.8/9362=1 HB2 LEU 42 - HG3 GLU 104 lone 6 100 - 6 - HG2 ARG 46 - HG3 GLU 104 lone 2 73 - 2 - Peak 4545 from cnoeabs.peaks (1.87, 2.10, 35.78 ppm; 3.42 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLU 104 + HG3 GLU 104 OK 100 100 - 100 - 3.0=100 HB3 LYS 39 - HG3 GLU 104 OK 22 96 - 23 - 4538/1.8=5, 1.8/4544=3...(8) HB3 LYS 12 - HG3 GLU 104 lone 8 99 - 8 - 4538/1.8=2, ~4538=1, 4524/3.0=1 HB3 LYS 68 - HG3 GLU 104 lone 8 100 - 8 - 4538/1.8=2, 4524/3.0=1 HB2 LYS 12 - HG3 GLU 104 lone 8 98 - 8 - 4538/1.8=2, ~4538=1, 4524/3.0=1 HB3 LYS 66 - HG3 GLU 104 lone 6 94 - 6 - 4538/1.8=1 HB VAL 5 - HG3 GLU 104 lone 2 94 - 2 - HB2 LYS 20 - HG3 GLU 104 lone 2 61 - 3 - 4.6/6337=1 HB VAL 54 - HG3 GLU 104 lone 1 77 - 1 - Peak 4546 from cnoeabs.peaks (2.15, 2.10, 35.78 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HG2 GLU 104 + HG3 GLU 104 OK 100 100 - 100 - 1.8=100 HG2 GLU 88 - HG3 GLU 104 OK 18 98 - 18 - 3.0/4544=2, 4532/3.0=2...(8) HB3 GLU 23 - HG3 GLU 104 OK 16 98 - 17 - 1030=3, 4532/3.0=2...(8) HB3 GLU 95 - HG3 GLU 104 lone 5 90 - 6 - 4.6/4542=1 HB3 GLU 16 - HG3 GLU 104 lone 1 65 - 1 - HB2 GLN 72 - HG3 GLU 104 lone 1 73 - 1 - HB2 GLU 75 - HG3 GLU 104 lone 1 87 - 1 - HG2 GLU 44 - HG3 GLU 104 lone 0 84 - 0 - Peak 4547 from cnoeabs.peaks (2.10, 2.10, 35.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 104 + HG3 GLU 104 OK 100 100 - 100 Peak 4549 from cnoeabs.peaks (8.15, 4.59, 55.54 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * H HIS 106 + HA HIS 105 OK 100 100 - 100 - 3.6=100 H TRP 92 - HA HIS 105 lone 1 65 - 1 - H GLY 100 - HA HIS 105 lone 1 73 - 1 - Peak 4550 from cnoeabs.peaks (4.59, 4.59, 55.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 105 + HA HIS 105 OK 100 100 - 100 Peak 4551 from cnoeabs.peaks (3.12, 4.59, 55.54 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 105 + HA HIS 105 OK 100 100 - 100 - 3.0=100 Peak 4552 from cnoeabs.peaks (3.06, 4.59, 55.54 ppm; 2.89 A): 1 out of 7 assignments used, quality = 0.89: * HB3 HIS 105 + HA HIS 105 OK 89 100 - 89 - 3.0=88, 4557/3.6=10 HB3 ASN 60 - HA HIS 105 lone 1 98 - 1 - HB3 HIS 106 - HA HIS 105 lone 1 90 - 1 - HB3 ASN 26 - HA HIS 105 lone 1 100 - 1 - HD2 ARG 79 - HA HIS 105 lone 0 97 - 0 - HD3 ARG 79 - HA HIS 105 lone 0 94 - 0 - HD3 ARG 30 - HA HIS 105 lone 0 61 - 0 - Peak 4553 from cnoeabs.peaks (8.15, 3.18, 30.00 ppm; 4.25 A): 1 out of 3 assignments used, quality = 1.00: * H HIS 106 + HB2 HIS 106 OK 100 100 - 100 - 4.0=100 H TRP 92 - HB2 HIS 106 lone 5 65 - 7 - 5.9/14639=2 H GLY 100 - HB2 HIS 106 lone 1 73 - 1 - Peak 4554 from cnoeabs.peaks (4.59, 3.12, 30.00 ppm; 3.65 A): 1 out of 5 assignments used, quality = 1.00: * HA HIS 105 + HB2 HIS 105 OK 100 100 - 100 - 3.0=100 HA ASP 11 - HB2 HIS 105 lone 3 100 - 3 - HB THR 34 - HB2 HIS 105 lone 1 100 - 1 - HA ILE 8 - HB2 HIS 105 lone 1 65 - 2 - HA THR 84 - HB2 HIS 105 lone 1 81 - 1 - Peak 4555 from cnoeabs.peaks (3.12, 3.12, 30.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 105 + HB2 HIS 105 OK 100 100 - 100 Peak 4556 from cnoeabs.peaks (3.06, 3.12, 30.00 ppm; 2.40 A): 1 out of 7 assignments used, quality = 1.00: * HB3 HIS 105 + HB2 HIS 105 OK 100 100 - 100 - 1.8=100 HB3 HIS 106 - HB2 HIS 105 lone 1 90 - 1 - HB3 ASN 60 - HB2 HIS 105 lone 1 98 - 1 - HB3 ASN 26 - HB2 HIS 105 lone 1 100 - 1 - HD2 ARG 79 - HB2 HIS 105 lone 0 97 - 0 - HD3 ARG 79 - HB2 HIS 105 lone 0 94 - 0 - HD3 ARG 30 - HB2 HIS 105 lone 0 61 - 0 - Peak 4557 from cnoeabs.peaks (8.15, 3.06, 30.00 ppm; 4.52 A): 1 out of 3 assignments used, quality = 0.95: * H HIS 106 + HB3 HIS 105 OK 95 100 - 95 - 4.7=92, 3.6/4552=39, 2.9/11095=4 H TRP 92 - HB3 HIS 105 lone 1 65 - 1 - H GLY 100 - HB3 HIS 105 lone 1 73 - 1 - Peak 4558 from cnoeabs.peaks (4.59, 3.06, 30.00 ppm; 3.32 A): 1 out of 5 assignments used, quality = 1.00: * HA HIS 105 + HB3 HIS 105 OK 100 100 - 100 - 3.0=100 HA ASP 11 - HB3 HIS 105 lone 2 100 - 2 - HB THR 34 - HB3 HIS 105 lone 1 100 - 1 - HA THR 84 - HB3 HIS 105 lone 1 81 - 1 - HA ILE 8 - HB3 HIS 105 lone 1 65 - 1 - Peak 4559 from cnoeabs.peaks (3.12, 3.06, 30.00 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 105 + HB3 HIS 105 OK 100 100 - 100 - 1.8=100 Peak 4560 from cnoeabs.peaks (3.06, 3.06, 30.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 105 + HB3 HIS 105 OK 100 100 - 100 Peak 5501 from cnoeabs.peaks (5.14, 6.43, 132.25 ppm; 5.50 A): 4 out of 10 assignments used, quality = 1.00: * HA TYR 4 + HD1 TYR 4 OK 100 100 - 100 - 4.2=100 HA TYR 4 + HD2 TYR 4 OK 100 100 - 100 - 4.3=100 HA VAL 54 + HD2 TYR 4 OK 46 73 - 62 - 10204/3.7=13...(13) HA VAL 54 + HD1 TYR 4 OK 45 73 - 62 - 10204/3.7=13, 155/3.7=11...(13) HA LEU 3 - HD2 TYR 4 OK 42 77 - 54 - 99/5.4=15, 8062=9...(10) HA LEU 3 - HD1 TYR 4 OK 42 77 - 54 - 99/5.6=14, 8062=9...(10) HA ILE 7 - HD2 TYR 4 OK 24 87 - 28 - 155/3.7=4, 148/3.7=4...(10) HA ILE 7 - HD1 TYR 4 OK 24 87 - 28 - 155/3.7=4, 148/3.7=4...(10) HA SER 85 - HD2 TYR 4 OK 10 97 - 10 - 148/3.7=2, 155/3.7=2, 6039/5.4=1 HA SER 85 - HD1 TYR 4 OK 10 97 - 10 - 148/3.7=2, 155/3.7=2 Peak 5502 from cnoeabs.peaks (2.29, 6.43, 132.25 ppm; 5.93 A): 2 out of 10 assignments used, quality = 1.00: HB2 TYR 4 + HD2 TYR 4 OK 100 100 - 100 - 3.7=100 * HB2 TYR 4 + HD1 TYR 4 OK 100 100 - 100 - 3.7=100 HB2 GLU 48 - HD1 TYR 4 OK 32 97 - 33 - 1.8/14572=6, 142/4.2=4...(13) HB2 GLU 48 - HD2 TYR 4 OK 32 97 - 33 - 1.8/14572=5, 142/4.3=4...(12) HG2 GLU 63 - HD2 TYR 4 OK 18 99 - 18 - 142/4.3=4, 156/3.7=3...(5) HG2 GLU 63 - HD1 TYR 4 OK 18 99 - 18 - 142/4.2=4, 156/3.7=3...(5) HG3 GLU 16 - HD2 TYR 4 OK 15 97 - 15 - 142/4.3=3, 156/3.7=2...(5) HG3 GLU 16 - HD1 TYR 4 OK 15 97 - 15 - 142/4.2=3, 156/3.7=2...(5) HD3 ARG 81 - HD1 TYR 4 OK 13 70 - 19 - 142/4.2=6, 156/3.7=4...(5) HD3 ARG 81 - HD2 TYR 4 OK 13 70 - 19 - 142/4.3=6, 156/3.7=4...(5) Peak 5503 from cnoeabs.peaks (2.46, 6.43, 132.25 ppm; 5.27 A): 2 out of 4 assignments used, quality = 1.00: HB3 TYR 4 + HD2 TYR 4 OK 100 100 - 100 - 3.7=100 * HB3 TYR 4 + HD1 TYR 4 OK 100 100 - 100 - 3.7=100 HG3 GLU 98 - HD2 TYR 4 OK 11 77 - 13 - 143/4.3=3, 150/3.7=2...(6) HG3 GLU 98 - HD1 TYR 4 OK 10 77 - 13 - 143/4.2=3, 150/3.7=2...(6) Peak 5504 from cnoeabs.peaks (6.43, 6.43, 132.25 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 TYR 4 + HD2 TYR 4 OK 100 100 - 100 * HD1 TYR 4 + HD1 TYR 4 OK 100 100 - 100 Peak 5505 from cnoeabs.peaks (6.45, 6.43, 132.25 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: HD2 TYR 4 + HD2 TYR 4 OK 81 81 - 100 HD1 TYR 4 + HD1 TYR 4 OK 81 81 - 100 Reference assignment not found: HE1 TYR 4 - HD1 TYR 4 Peak 5506 from cnoeabs.peaks (6.43, 6.45, 118.10 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: HE1 TYR 4 + HE1 TYR 4 OK 84 84 - 100 HE2 TYR 4 + HE2 TYR 4 OK 77 77 - 100 Reference assignment not found: HD1 TYR 4 - HE1 TYR 4 Peak 5507 from cnoeabs.peaks (6.45, 6.45, 118.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE2 TYR 4 + HE2 TYR 4 OK 99 99 - 100 * HE1 TYR 4 + HE1 TYR 4 OK 99 99 - 100 Peak 5508 from cnoeabs.peaks (3.93, 6.83, 131.89 ppm; 4.50 A): 2 out of 8 assignments used, quality = 1.00: * HA TYR 41 + HD1 TYR 41 OK 98 98 - 100 - 4.2=100 HA TYR 41 + HD2 TYR 41 OK 87 87 - 100 - 4.3=100 HA GLU 44 - HD1 TYR 41 OK 33 88 - 38 - 3.0/8984=10, 1884/3.7=8...(7) HA GLU 44 - HD2 TYR 41 OK 30 75 - 40 - 3.0/8984=10, 1884/3.7=8...(9) HB3 SER 9 - HD1 TYR 41 OK 16 98 - 16 - 1884/3.7=4, 1892/3.7=4...(4) HB3 SER 9 - HD2 TYR 41 OK 14 87 - 16 - 1884/3.7=4, 1892/3.7=4...(4) HA GLU 63 - HD1 TYR 41 OK 10 80 - 13 - 1892/3.7=3, 1884/3.7=3...(4) HA GLU 63 - HD2 TYR 41 poor 8 67 - 11 - 1892/3.7=3, 1884/3.7=3 Peak 5509 from cnoeabs.peaks (2.31, 6.83, 131.89 ppm; 5.30 A): 2 out of 14 assignments used, quality = 1.00: * HB2 TYR 41 + HD1 TYR 41 OK 98 98 - 100 - 3.7=100 HB2 TYR 41 + HD2 TYR 41 OK 87 87 - 100 - 3.7=100 HG3 GLU 43 - HD1 TYR 41 OK 28 92 - 30 - 1874/4.2=7, 6655/5.4=7...(7) HG3 GLU 43 - HD2 TYR 41 OK 23 79 - 30 - 1874/4.3=7, 6655/5.3=7...(7) HD3 ARG 81 - HD1 TYR 41 OK 11 95 - 12 - 1893/3.7=3, 1874/4.2=2...(4) HD3 ARG 81 - HD2 TYR 41 poor 10 83 - 12 - 1893/3.7=3, 1874/4.3=2...(4) HB2 GLU 48 - HD1 TYR 41 poor 10 69 - 14 - 1874/4.2=2, 1893/3.7=2...(5) HG2 GLU 63 - HD1 TYR 41 poor 9 58 - 15 - 1874/4.2=3, 1893/3.7=2...(6) HB2 GLU 48 - HD2 TYR 41 poor 8 57 - 14 - 1874/4.3=2, 1893/3.7=2...(5) HG2 GLU 63 - HD2 TYR 41 poor 6 47 - 12 - 1874/4.3=3, 1893/3.7=2 HG3 GLU 16 - HD1 TYR 41 lone 5 69 - 8 - HG3 GLU 16 - HD2 TYR 41 lone 4 57 - 7 - HG2 GLU 48 - HD1 TYR 41 lone 4 58 - 7 - 1874/4.2=1, ~8899=1, 1893/3.7=1 HG2 GLU 48 - HD2 TYR 41 lone 3 47 - 7 - 1874/4.3=1, 1893/3.7=1, ~8899=1 Peak 5510 from cnoeabs.peaks (2.64, 6.83, 131.89 ppm; 5.21 A): 2 out of 8 assignments used, quality = 1.00: * HB3 TYR 41 + HD1 TYR 41 OK 98 98 - 100 - 3.7=100 HB3 TYR 41 + HD2 TYR 41 OK 87 87 - 100 - 3.7=100 HG3 MET 74 - HD1 TYR 41 OK 25 73 - 34 - 1886/3.7=7, 1875/4.2=7...(15) HG3 MET 74 - HD2 TYR 41 OK 20 61 - 34 - 1886/3.7=7, 1875/4.3=7...(15) HB3 ASP 77 - HD1 TYR 41 OK 19 97 - 19 - 1875/4.2=3, 1886/3.7=3...(10) HB3 ASP 65 - HD1 TYR 41 OK 17 97 - 18 - 1875/4.2=4, 1886/3.7=3...(6) HB3 ASP 77 - HD2 TYR 41 OK 16 86 - 19 - 1875/4.3=3, 1886/3.7=3...(9) HB3 ASP 65 - HD2 TYR 41 OK 15 86 - 18 - 1875/4.3=4, 1886/3.7=3...(6) Peak 5511 from cnoeabs.peaks (6.83, 6.83, 131.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD1 TYR 41 + HD1 TYR 41 OK 97 97 - 100 HD2 TYR 41 + HD2 TYR 41 OK 83 83 - 100 Peak 5512 from cnoeabs.peaks (6.85, 6.83, 131.89 ppm; 2.90 A): 2 out of 10 assignments used, quality = 1.00: * HE1 TYR 41 + HD1 TYR 41 OK 98 98 - 100 - 2.5=100 HE2 TYR 41 + HD2 TYR 41 OK 87 87 - 100 - 2.5=100 HE2 TYR 41 - HD1 TYR 41 OK 39 98 - 40 - 4.9=20, 5513/4.3=6...(7) HE1 TYR 41 - HD2 TYR 41 OK 35 86 - 40 - 4.9=20, 14513/4.3=6...(7) HE21 GLN 72 - HD1 TYR 41 lone 1 98 - 1 - HE21 GLN 72 - HD2 TYR 41 lone 1 87 - 1 - HD1 TRP 92 - HD1 TYR 41 lone 0 65 - 1 - HD21 ASN 60 - HD1 TYR 41 lone 0 58 - 1 - HD1 TRP 92 - HD2 TYR 41 lone 0 54 - 1 - HD21 ASN 60 - HD2 TYR 41 lone 0 47 - 0 - Peak 5513 from cnoeabs.peaks (6.83, 6.85, 118.20 ppm; 2.40 A): 2 out of 4 assignments used, quality = 0.99: * HD1 TYR 41 + HE1 TYR 41 OK 92 99 - 94 - 2.5=93, 1887/5.4=2...(6) HD2 TYR 41 + HE2 TYR 41 OK 92 98 - 94 - 2.5=93, 1887/5.4=2...(6) HD1 TYR 41 - HE2 TYR 41 OK 19 100 - 19 - 4.9=12, 1887/5.4=2...(4) HD2 TYR 41 - HE1 TYR 41 OK 18 97 - 19 - 4.9=12, 1887/5.4=2...(4) Peak 5514 from cnoeabs.peaks (6.85, 6.85, 118.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE2 TYR 41 + HE2 TYR 41 OK 100 100 - 100 * HE1 TYR 41 + HE1 TYR 41 OK 99 99 - 100 Peak 5515 from cnoeabs.peaks (4.52, 6.66, 129.63 ppm; 4.39 A): 2 out of 6 assignments used, quality = 1.00: * HA PHE 45 + HD1 PHE 45 OK 100 100 - 100 - 4.2=100 HA PHE 45 + HD2 PHE 45 OK 100 100 - 100 - 4.2=100 HA PHE 96 - HD1 PHE 45 OK 14 96 - 15 - 2050/3.7=5, 2041/3.7=5...(5) HA PHE 96 - HD2 PHE 45 OK 14 96 - 15 - 2050/3.7=5, 2041/3.7=5...(5) HA LYS 33 - HD1 PHE 45 OK 10 81 - 13 - 2041/3.7=3, 2050/3.7=3...(6) HA LYS 33 - HD2 PHE 45 OK 10 81 - 13 - 2041/3.7=3, 2050/3.7=3...(6) Peak 5516 from cnoeabs.peaks (2.98, 6.66, 129.63 ppm; 4.69 A): 4 out of 14 assignments used, quality = 1.00: * HB2 PHE 45 + HD1 PHE 45 OK 100 100 - 100 - 3.7=100 HB2 PHE 45 + HD2 PHE 45 OK 100 100 - 100 - 3.7=100 HB3 PHE 45 + HD1 PHE 45 OK 73 73 - 100 - 3.7=100 HB3 PHE 45 + HD2 PHE 45 OK 73 73 - 100 - 3.7=100 HB2 SER 9 - HD1 PHE 45 lone 9 96 - 10 - 9653/9632=2, 9237/9222=1 HB2 SER 9 - HD2 PHE 45 lone 9 96 - 10 - 9653/9632=2, 9237/9222=1 HE2 LYS 47 - HD1 PHE 45 lone 8 94 - 8 - 2033/4.2=2, 6729/5.5=2 HE3 LYS 47 - HD1 PHE 45 lone 8 94 - 8 - 2033/4.2=2, 6729/5.5=2 HE3 LYS 47 - HD2 PHE 45 lone 8 94 - 8 - 2033/4.2=2, 6729/5.6=1 HE2 LYS 47 - HD2 PHE 45 lone 8 94 - 8 - 2033/4.2=2, 6729/5.6=1 HB3 ASP 11 - HD1 PHE 45 lone 5 90 - 5 - 9237/9222=1 HB3 ASP 11 - HD2 PHE 45 lone 5 90 - 5 - 9237/9222=1 HE3 LYS 12 - HD1 PHE 45 lone 2 65 - 3 - HE3 LYS 12 - HD2 PHE 45 lone 2 65 - 3 - Peak 5517 from cnoeabs.peaks (2.97, 6.66, 129.63 ppm; 4.70 A): 4 out of 20 assignments used, quality = 1.00: HB3 PHE 45 + HD2 PHE 45 OK 100 100 - 100 - 3.7=100 * HB3 PHE 45 + HD1 PHE 45 OK 100 100 - 100 - 3.7=100 HB2 PHE 45 + HD2 PHE 45 OK 73 73 - 100 - 3.7=100 HB2 PHE 45 + HD1 PHE 45 OK 73 73 - 100 - 3.7=100 HE3 LYS 47 - HD1 PHE 45 lone 9 97 - 9 - 2034/4.2=2, 6730/5.5=2 HE2 LYS 47 - HD1 PHE 45 lone 9 97 - 9 - 2034/4.2=2, 6730/5.5=2 HE2 LYS 47 - HD2 PHE 45 lone 9 97 - 9 - 2034/4.2=2, 6730/5.6=2 HE3 LYS 47 - HD2 PHE 45 lone 9 97 - 9 - 2034/4.2=2, 6730/5.6=2 HE2 LYS 24 - HD1 PHE 45 lone 4 99 - 4 - HE3 LYS 24 - HD1 PHE 45 lone 4 99 - 4 - HE2 LYS 24 - HD2 PHE 45 lone 4 99 - 4 - HE3 LYS 24 - HD2 PHE 45 lone 4 99 - 4 - HE2 LYS 13 - HD1 PHE 45 lone 4 97 - 4 - HE2 LYS 13 - HD2 PHE 45 lone 4 97 - 4 - HE3 LYS 13 - HD1 PHE 45 lone 4 94 - 4 - HE3 LYS 13 - HD2 PHE 45 lone 4 94 - 4 - HE3 LYS 12 - HD1 PHE 45 lone 4 100 - 4 - HE3 LYS 12 - HD2 PHE 45 lone 4 100 - 4 - HE2 LYS 73 - HD1 PHE 45 lone 2 73 - 2 - HE2 LYS 73 - HD2 PHE 45 lone 2 73 - 2 - Peak 5518 from cnoeabs.peaks (6.66, 6.66, 129.63 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 PHE 45 + HD2 PHE 45 OK 100 100 - 100 * HD1 PHE 45 + HD1 PHE 45 OK 100 100 - 100 Peak 5519 from cnoeabs.peaks (6.51, 6.66, 129.63 ppm; 3.94 A): 4 out of 4 assignments used, quality = 1.00: HE2 PHE 45 + HD2 PHE 45 OK 100 100 - 100 - 2.5=100 * HE1 PHE 45 + HD1 PHE 45 OK 100 100 - 100 - 2.5=100 HE2 PHE 45 + HD1 PHE 45 OK 64 100 - 64 - 4.9=52, 2036/4.2=7...(8) HE1 PHE 45 + HD2 PHE 45 OK 64 100 - 64 - 4.9=52, 2036/4.2=7...(8) Peak 5520 from cnoeabs.peaks (6.14, 6.66, 129.63 ppm; 6.01 A): 2 out of 2 assignments used, quality = 1.00: HZ PHE 45 + HD2 PHE 45 OK 100 100 - 100 - 4.3=100 * HZ PHE 45 + HD1 PHE 45 OK 100 100 - 100 - 4.3=100 Peak 5521 from cnoeabs.peaks (6.66, 6.51, 129.73 ppm; 3.91 A): 4 out of 4 assignments used, quality = 1.00: HD2 PHE 45 + HE2 PHE 45 OK 100 100 - 100 - 2.5=100 * HD1 PHE 45 + HE1 PHE 45 OK 99 99 - 100 - 2.5=100 HD1 PHE 45 + HE2 PHE 45 OK 62 100 - 62 - 4.9=50, 4.2/2036=7...(8) HD2 PHE 45 + HE1 PHE 45 OK 62 99 - 62 - 4.9=50, 4.2/2036=7...(7) Peak 5522 from cnoeabs.peaks (6.51, 6.51, 129.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE2 PHE 45 + HE2 PHE 45 OK 100 100 - 100 * HE1 PHE 45 + HE1 PHE 45 OK 99 99 - 100 Peak 5523 from cnoeabs.peaks (6.14, 6.51, 129.73 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: HZ PHE 45 + HE2 PHE 45 OK 100 100 - 100 - 2.5=100 * HZ PHE 45 + HE1 PHE 45 OK 99 99 - 100 - 2.5=100 Peak 5525 from cnoeabs.peaks (6.51, 6.14, 127.52 ppm; 4.03 A): 2 out of 2 assignments used, quality = 1.00: HE2 PHE 45 + HZ PHE 45 OK 100 100 - 100 - 2.5=100 * HE1 PHE 45 + HZ PHE 45 OK 100 100 - 100 - 2.5=100 Peak 5526 from cnoeabs.peaks (6.14, 6.14, 127.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 45 + HZ PHE 45 OK 100 100 - 100 Peak 5527 from cnoeabs.peaks (4.82, 6.87, 127.01 ppm; 4.74 A): 2 out of 2 assignments used, quality = 1.00: * HA TRP 92 + HD1 TRP 92 OK 100 100 - 100 - 4.5=100 HA ASN 60 + HD1 TRP 92 OK 50 97 - 52 - 2692=15, 4096/3.9=9...(10) Peak 5528 from cnoeabs.peaks (3.10, 6.87, 127.01 ppm; 4.92 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TRP 92 + HD1 TRP 92 OK 100 100 - 100 - 3.9=100 HB2 PHE 96 - HD1 TRP 92 OK 28 100 - 28 - 4082/4.5=9, 4109/3.9=7...(7) HD3 ARG 30 - HD1 TRP 92 lone 5 70 - 7 - 9971/2.6=1 Peak 5529 from cnoeabs.peaks (3.19, 6.87, 127.01 ppm; 5.19 A): 1 out of 6 assignments used, quality = 1.00: * HB3 TRP 92 + HD1 TRP 92 OK 100 100 - 100 - 3.9=100 HD3 ARG 46 - HD1 TRP 92 OK 30 100 - 30 - 4098/3.9=6, 4083/4.5=6...(10) HB2 HIS 106 - HD1 TRP 92 lone 5 90 - 5 - 4083/4.5=1 HB2 ASP 77 - HD1 TRP 92 lone 4 84 - 5 - HD3 ARG 19 - HD1 TRP 92 lone 4 61 - 6 - 14639/5.1=1 HD2 ARG 19 - HD1 TRP 92 lone 4 61 - 6 - 14639/5.1=1 Peak 5530 from cnoeabs.peaks (6.87, 6.87, 127.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 92 + HD1 TRP 92 OK 100 100 - 100 Peak 5532 from cnoeabs.peaks (10.29, 6.87, 127.01 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 92 + HD1 TRP 92 OK 100 100 - 100 - 2.6=100 Peak 5537 from cnoeabs.peaks (7.43, 7.43, 120.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 92 + HE3 TRP 92 OK 100 100 - 100 Peak 5539 from cnoeabs.peaks (7.07, 7.43, 120.39 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * HZ3 TRP 92 + HE3 TRP 92 OK 100 100 - 100 - 2.5=100 HZ PHE 96 - HE3 TRP 92 lone 10 100 - 10 - 5.8/14640=2, 14557/4.3=1...(5) Peak 5541 from cnoeabs.peaks (7.24, 7.43, 120.39 ppm; 6.17 A): 1 out of 2 assignments used, quality = 1.00: * HH2 TRP 92 + HE3 TRP 92 OK 100 100 - 100 - 4.3=100 H THR 34 - HE3 TRP 92 OK 27 98 - 28 - 14547/2.5=7, 14553/5.0=4...(7) Peak 5543 from cnoeabs.peaks (7.43, 7.07, 122.39 ppm; 4.44 A): 2 out of 3 assignments used, quality = 0.97: * HE3 TRP 92 + HZ3 TRP 92 OK 95 95 - 100 - 2.5=100 H ALA 89 + HZ3 TRP 92 OK 39 91 - 43 - ~3900=7, 9934/6.6=6...(12) HE22 GLN 72 - HZ3 TRP 92 OK 16 83 - 19 - ~3225=2, 14555/2.4=2...(9) Peak 5545 from cnoeabs.peaks (7.07, 7.07, 122.39 ppm; diagonal): 1 out of 1 assignment used, quality = 0.94: * HZ3 TRP 92 + HZ3 TRP 92 OK 94 94 - 100 Peak 5547 from cnoeabs.peaks (7.24, 7.07, 122.39 ppm; 4.07 A): 1 out of 2 assignments used, quality = 0.95: * HH2 TRP 92 + HZ3 TRP 92 OK 95 95 - 100 - 2.4=100 H THR 34 - HZ3 TRP 92 OK 14 91 - 15 - ~14658=4, 14541/2.5=3...(6) Peak 5550 from cnoeabs.peaks (10.29, 7.49, 114.58 ppm; 4.04 A): 1 out of 1 assignment used, quality = 0.98: * HE1 TRP 92 + HZ2 TRP 92 OK 98 98 - 100 - 2.8=100 Peak 5551 from cnoeabs.peaks (7.07, 7.49, 114.58 ppm; 5.10 A): 1 out of 2 assignments used, quality = 0.98: * HZ3 TRP 92 + HZ2 TRP 92 OK 98 98 - 100 - 4.3=100 HZ PHE 96 - HZ2 TRP 92 lone 7 98 - 7 - 14539/5.0=3, 14557/2.5=3 Peak 5552 from cnoeabs.peaks (7.49, 7.49, 114.58 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * HZ2 TRP 92 + HZ2 TRP 92 OK 98 98 - 100 Peak 5553 from cnoeabs.peaks (7.24, 7.49, 114.58 ppm; 3.57 A): 1 out of 2 assignments used, quality = 0.98: * HH2 TRP 92 + HZ2 TRP 92 OK 98 98 - 100 - 2.5=100 H THR 34 - HZ2 TRP 92 lone 9 95 - 10 - ~14658=3, 14547/4.3=2...(4) Peak 5555 from cnoeabs.peaks (7.43, 7.24, 124.39 ppm; 5.21 A): 1 out of 3 assignments used, quality = 0.96: * HE3 TRP 92 + HH2 TRP 92 OK 96 96 - 100 - 4.3=100 H ALA 89 - HH2 TRP 92 OK 31 92 - 33 - 5543/2.4=11, 9934/6.6=10...(5) HE22 GLN 72 - HH2 TRP 92 OK 11 84 - 13 - 5543/2.4=5, 14531/6.6=2...(5) Peak 5557 from cnoeabs.peaks (7.07, 7.24, 124.39 ppm; 3.60 A): 1 out of 2 assignments used, quality = 0.95: * HZ3 TRP 92 + HH2 TRP 92 OK 95 95 - 100 - 2.4=100 HZ PHE 96 - HH2 TRP 92 lone 5 95 - 5 - 14539/4.3=1, 5551/2.5=1 Peak 5558 from cnoeabs.peaks (7.49, 7.24, 124.39 ppm; 3.86 A): 1 out of 3 assignments used, quality = 0.96: * HZ2 TRP 92 + HH2 TRP 92 OK 96 96 - 100 - 2.5=100 H ILE 52 - HH2 TRP 92 lone 7 95 - 7 - ~2334=3, 14546/2.4=1 H LYS 47 - HH2 TRP 92 lone 1 55 - 2 - Peak 5559 from cnoeabs.peaks (7.24, 7.24, 124.39 ppm; diagonal): 1 out of 1 assignment used, quality = 0.96: * HH2 TRP 92 + HH2 TRP 92 OK 96 96 - 100 Peak 5560 from cnoeabs.peaks (4.51, 7.03, 131.42 ppm; 5.45 A): 2 out of 4 assignments used, quality = 1.00: * HA PHE 96 + HD1 PHE 96 OK 100 100 - 100 - 4.3=100 HA PHE 96 + HD2 PHE 96 OK 100 100 - 100 - 4.2=100 HA PHE 45 - HD2 PHE 96 OK 25 97 - 26 - 4327/3.7=8, 4336/3.7=8...(6) HA PHE 45 - HD1 PHE 96 OK 25 97 - 26 - 4327/3.7=8, 4336/3.7=8...(6) Peak 5561 from cnoeabs.peaks (3.10, 7.03, 131.42 ppm; 5.27 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PHE 96 + HD1 PHE 96 OK 100 100 - 100 - 3.7=100 HB2 PHE 96 + HD2 PHE 96 OK 100 100 - 100 - 3.7=100 HB2 TRP 92 - HD2 PHE 96 OK 40 100 - 40 - 4337/3.7=10, 4316/4.2=9...(11) HB2 TRP 92 - HD1 PHE 96 OK 40 100 - 40 - 4337/3.7=10, 4316/4.3=9...(10) HD3 ARG 30 - HD2 PHE 96 OK 13 77 - 16 - 3.0/8705=3, 4316/4.2=2...(7) HD3 ARG 30 - HD1 PHE 96 OK 13 77 - 16 - 3.0/8705=3, 4316/4.3=2...(7) Peak 5562 from cnoeabs.peaks (3.47, 7.03, 131.42 ppm; 5.71 A): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 96 + HD1 PHE 96 OK 100 100 - 100 - 3.7=100 HB3 PHE 96 + HD2 PHE 96 OK 100 100 - 100 - 3.7=100 Peak 5563 from cnoeabs.peaks (7.03, 7.03, 131.42 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD1 PHE 96 + HD1 PHE 96 OK 100 100 - 100 HD2 PHE 96 + HD2 PHE 96 OK 100 100 - 100 Peak 5564 from cnoeabs.peaks (6.95, 7.03, 131.42 ppm; 3.84 A): 4 out of 4 assignments used, quality = 1.00: * HE1 PHE 96 + HD1 PHE 96 OK 99 99 - 100 - 2.5=100 HE2 PHE 96 + HD2 PHE 96 OK 98 98 - 100 - 2.5=100 HE1 PHE 96 + HD2 PHE 96 OK 70 99 - 71 - 4.9=48, 2.5/14569=17...(16) HE2 PHE 96 + HD1 PHE 96 OK 69 98 - 71 - 4.9=48, 2.5/14569=16...(16) Peak 5565 from cnoeabs.peaks (7.06, 7.03, 131.42 ppm; 3.67 A): 2 out of 4 assignments used, quality = 0.92: HZ PHE 96 + HD2 PHE 96 OK 72 100 - 72 - 4.3=64, 14569/4.3=10...(6) * HZ PHE 96 + HD1 PHE 96 OK 72 100 - 72 - 4.3=64, 14569/4.3=10...(7) HZ3 TRP 92 - HD1 PHE 96 lone 4 100 - 4 - 5568/2.5=1, 6.4/5561=1 HZ3 TRP 92 - HD2 PHE 96 lone 4 100 - 4 - 14568/2.5=1, 6.4/5561=1 Peak 5566 from cnoeabs.peaks (7.03, 6.95, 131.21 ppm; 3.83 A): 4 out of 4 assignments used, quality = 1.00: * HD1 PHE 96 + HE1 PHE 96 OK 92 92 - 100 - 2.5=100 HD2 PHE 96 + HE2 PHE 96 OK 77 77 - 100 - 2.5=100 HD2 PHE 96 + HE1 PHE 96 OK 64 91 - 70 - 4.9=47, 14569/2.5=16...(16) HD1 PHE 96 + HE2 PHE 96 OK 54 77 - 70 - 4.9=47, 14569/2.5=16...(17) Peak 5567 from cnoeabs.peaks (6.95, 6.95, 131.21 ppm; diagonal): 2 out of 2 assignments used, quality = 0.97: * HE1 PHE 96 + HE1 PHE 96 OK 90 90 - 100 HE2 PHE 96 + HE2 PHE 96 OK 72 72 - 100 Peak 5568 from cnoeabs.peaks (7.06, 6.95, 131.21 ppm; 4.10 A): 2 out of 4 assignments used, quality = 0.98: * HZ PHE 96 + HE1 PHE 96 OK 92 92 - 100 - 2.5=100 HZ PHE 96 + HE2 PHE 96 OK 77 77 - 100 - 2.5=100 HZ3 TRP 92 - HE1 PHE 96 poor 9 91 - 10 - ~14539=2, ~5539=2...(4) HZ3 TRP 92 - HE2 PHE 96 poor 8 77 - 10 - ~14539=2, ~5539=2, ~14557=1 Peak 5569 from cnoeabs.peaks (7.03, 7.06, 131.18 ppm; 3.89 A): 2 out of 2 assignments used, quality = 0.92: HD2 PHE 96 + HZ PHE 96 OK 72 88 - 82 - 4.3=76, 4.3/5565=11...(5) * HD1 PHE 96 + HZ PHE 96 OK 72 88 - 82 - 4.3=76, 4.3/5565=11...(5) Peak 5570 from cnoeabs.peaks (6.95, 7.06, 131.18 ppm; 4.44 A): 2 out of 2 assignments used, quality = 0.98: * HE1 PHE 96 + HZ PHE 96 OK 86 86 - 100 - 2.5=100 HE2 PHE 96 + HZ PHE 96 OK 84 84 - 100 - 2.5=100 Peak 5571 from cnoeabs.peaks (7.06, 7.06, 131.18 ppm; diagonal): 1 out of 1 assignment used, quality = 0.88: * HZ PHE 96 + HZ PHE 96 OK 88 88 - 100 Peak 8001 from cnoeabs.peaks (7.69, 4.16, 54.51 ppm; 5.40 A): 3 out of 4 assignments used, quality = 0.90: HD22 ASN 51 + HA MET 1 OK 84 97 - 86 - 4.4/8003=32, 3.5/8006=32...(13) H MET 21 + HA MET 1 OK 28 96 - 29 - 8036/5.3=5, 5.1/8005=4...(11) H SER 85 + HA MET 1 OK 13 99 - 13 - 9860/5.3=3, ~9866=1, 4.7/8002=1 H ALA 25 - HA MET 1 poor 9 65 - 14 - 2.9/8009=4, 4.4/7=2...(4) Peak 8002 from cnoeabs.peaks (4.46, 4.16, 54.51 ppm; 5.13 A): 1 out of 2 assignments used, quality = 0.67: HA LEU 2 + HA MET 1 OK 67 100 - 68 - 3.0/8=36, 3.0/8009=20...(8) HB THR 84 - HA MET 1 lone 3 57 - 4 - 4.7/8001=2 Peak 8003 from cnoeabs.peaks (4.97, 4.16, 54.51 ppm; 4.66 A): 1 out of 1 assignment used, quality = 0.63: HA ASN 51 + HA MET 1 OK 63 92 - 69 - 3.0/8006=27, 3.0/9131=21...(7) Peak 8004 from cnoeabs.peaks (5.33, 4.16, 54.51 ppm; 4.72 A): 2 out of 2 assignments used, quality = 0.71: HA ILE 52 + HA MET 1 OK 54 97 - 56 - 8044/3.6=17, 8034/4.2=15...(9) HA THR 80 + HA MET 1 OK 36 100 - 36 - 8044/3.6=10, 8034/4.2=9...(7) Peak 8005 from cnoeabs.peaks (2.93, 4.16, 54.51 ppm; 4.24 A): 2 out of 10 assignments used, quality = 0.54: HB2 ASN 51 + HA MET 1 OK 48 65 - 73 - 1.8/8006=28, 3.0/8003=27...(12) HG2 MET 21 + HA MET 1 OK 11 87 - 13 - 5.1/8001=3, 1.8/6=2...(4) HE3 LYS 73 - HA MET 1 poor 10 65 - 15 - 4.0/8008=2, 4.9/7=2...(6) HE3 LYS 20 - HA MET 1 lone 5 77 - 6 - 4.7/3=1 HE2 LYS 20 - HA MET 1 lone 4 73 - 6 - 4.7/3=1 HE2 LYS 94 - HA MET 1 lone 4 96 - 4 - 3.9/8009=2 HB2 ASN 10 - HA MET 1 lone 3 100 - 3 - HE3 LYS 90 - HA MET 1 lone 3 96 - 3 - HE3 LYS 94 - HA MET 1 lone 3 70 - 4 - 3.9/8009=2 HE2 LYS 68 - HA MET 1 lone 2 65 - 3 - Peak 8006 from cnoeabs.peaks (2.67, 4.16, 54.51 ppm; 4.64 A): 1 out of 3 assignments used, quality = 0.79: HB3 ASN 51 + HA MET 1 OK 79 96 - 83 - 3.0/8003=32, 9134=29...(11) HD3 ARG 91 - HA MET 1 lone 8 99 - 8 - 2316/8003=2, 6850/8001=1...(4) HD2 ARG 30 - HA MET 1 lone 7 98 - 7 - 2316/8003=2, 1364/3.6=2 Peak 8007 from cnoeabs.peaks (1.69, 4.16, 54.51 ppm; 5.17 A): 4 out of 18 assignments used, quality = 0.90: HB2 LEU 2 + HA MET 1 OK 78 97 - 81 - 3.0/8002=33, 4.0/8=31...(10) HD3 LYS 47 + HA MET 1 OK 24 84 - 29 - 3.9/7=7, 3.0/8008=5...(8) HD2 LYS 47 + HA MET 1 OK 23 81 - 29 - 3.9/7=7, 3.0/8008=5...(8) HG2 PRO 86 + HA MET 1 OK 17 100 - 18 - 1.8/5=3, 3835/4.2=3...(5) HG LEU 70 - HA MET 1 OK 17 99 - 17 - 6010/3.6=3, 2.1/8010=3...(4) HD3 LYS 24 - HA MET 1 OK 16 100 - 16 - 3.0/8008=3, 3.6/7=3...(4) HD2 LYS 24 - HA MET 1 OK 16 100 - 16 - 3.0/8008=3, 3.6/7=3...(4) HD2 LYS 13 - HA MET 1 OK 15 98 - 15 - 3.0/8008=2, 3.0/518=2...(4) HD3 LYS 13 - HA MET 1 OK 15 96 - 15 - 3.0/8008=2, 3.0/518=2...(4) HG12 ILE 15 - HA MET 1 OK 14 100 - 14 - 3.2/8010=3, 4.6/6208=3...(4) HD2 LYS 20 - HA MET 1 OK 11 70 - 15 - 3.5/3=3, 3.0/8005=2...(4) HB3 ARG 91 - HA MET 1 lone 8 87 - 10 - 3.5/8006=3, 1.8/8008=1 HD3 LYS 66 - HA MET 1 lone 7 97 - 7 - 6010/3.6=1 HD3 LYS 90 - HA MET 1 lone 7 100 - 7 - 3.0/8005=1 HD2 LYS 12 - HA MET 1 lone 6 98 - 6 - 6010/3.6=1 HD3 LYS 12 - HA MET 1 lone 6 98 - 6 - 6010/3.6=1 HB3 LYS 53 - HA MET 1 lone 6 94 - 6 - 4.4/8=1, 2414/3.6=1 HB3 LYS 40 - HA MET 1 lone 4 90 - 4 - Peak 8008 from cnoeabs.peaks (1.50, 4.16, 54.51 ppm; 5.34 A): 8 out of 14 assignments used, quality = 0.94: HG LEU 2 + HA MET 1 OK 69 90 - 78 - 3.7/8002=31, 4.7/8=28...(11) HG2 LYS 47 + HA MET 1 OK 34 84 - 40 - 3.0/7=8, ~21=5, ~14=5...(13) HG2 LYS 73 + HA MET 1 OK 29 87 - 34 - 2.9/3=4, 4.0/8005=4...(12) HG3 LYS 24 + HA MET 1 OK 21 99 - 20 - 2.9/7=3, 2.9/7=3...(7) HG3 LYS 13 + HA MET 1 OK 17 97 - 18 - 1.8/518=2, 3.0/8007=2...(5) HB2 LEU 14 + HA MET 1 OK 14 65 - 21 - ~593=3, 4.4/6208=3...(6) HB ILE 7 + HA MET 1 OK 12 65 - 18 - 6012/3.6=5, 2.1/8010=4...(5) HG LEU 57 + HA MET 1 OK 11 100 - 12 - 2.1/8010=3, 6012/3.6=2...(4) HB2 ARG 91 - HA MET 1 poor 7 65 - 10 - 3.5/8006=3, 4032/8006=1 HG3 LYS 66 - HA MET 1 lone 6 90 - 7 - HG2 LYS 66 - HA MET 1 lone 6 84 - 7 - HB3 LEU 103 - HA MET 1 lone 4 61 - 7 - 6012/3.6=3 HG3 LYS 33 - HA MET 1 lone 4 100 - 4 - HB3 LEU 64 - HA MET 1 lone 2 81 - 3 - Peak 8009 from cnoeabs.peaks (1.32, 4.16, 54.51 ppm; 5.56 A): 3 out of 6 assignments used, quality = 0.83: HB3 LEU 2 + HA MET 1 OK 78 94 - 83 - 3.0/8002=37, 4.0/8=34...(11) QB ALA 25 + HA MET 1 OK 13 77 - 16 - 6011/3.6=4, 2.9/8001=3...(4) HG2 LYS 94 + HA MET 1 OK 11 77 - 14 - 6011/3.6=3, 3.9/8005=2...(4) QB ALA 67 - HA MET 1 poor 9 84 - 10 - 6011/3.6=3, 4.9/10791=1 QB ALA 89 - HA MET 1 lone 7 77 - 9 - 6011/3.6=2 HB2 LYS 82 - HA MET 1 lone 3 61 - 6 - 6011/3.6=2 Peak 8010 from cnoeabs.peaks (0.80, 4.16, 54.51 ppm; 4.98 A): 7 out of 9 assignments used, quality = 0.92: QD2 LEU 2 + HA MET 1 OK 77 99 - 77 - 4.0/8002=26, 4.7/8=26...(14) QD1 ILE 76 + HA MET 1 OK 29 99 - 29 - 10888/3.6=9...(7) QG2 ILE 15 + HA MET 1 OK 17 99 - 17 - 4.0/6208=3, 6013/3.6=3...(5) QG2 ILE 7 + HA MET 1 OK 16 98 - 16 - 6013/3.6=4, 49/8002=2...(5) QD2 LEU 70 + HA MET 1 OK 15 100 - 15 - 6013/3.6=3, 2.1/8007=2 QD1 LEU 70 + HA MET 1 OK 13 90 - 15 - 6013/3.6=3, 2.1/8007=2...(4) QD2 LEU 57 + HA MET 1 OK 11 94 - 12 - 6013/3.6=2, 2.1/8008=2 QG2 ILE 8 - HA MET 1 poor 7 65 - 11 - 12205/3.0=1, 8028/5.3=1 QD2 LEU 38 - HA MET 1 lone 3 65 - 5 - Peak 8011 from cnoeabs.peaks (0.25, 1.94, 32.61 ppm; 5.20 A): 1 out of 2 assignments used, quality = 0.88: QD2 LEU 3 + HB2 MET 1 OK 88 90 - 99 - 8022/3.0=44, 8018/3.0=42...(15) QD2 LEU 3 - HB3 LYS 20 poor 6 31 - 20 - 9191/3.0=3, 2.1/8012=3...(9) Peak 8012 from cnoeabs.peaks (0.46, 1.94, 32.61 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.98: QD1 LEU 3 + HB2 MET 1 OK 98 99 - 99 - 8013/1.8=41, 8021/3.0=37...(16) QD1 LEU 3 - HB3 LYS 20 poor 7 38 - 19 - 2.1/8011=3, ~9191=2...(8) Peak 8013 from cnoeabs.peaks (0.46, 2.00, 32.61 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.98: QD1 LEU 3 + HB3 MET 1 OK 98 100 - 98 - 8012/1.8=35, 8021/3.0=31...(16) Peak 8014 from cnoeabs.peaks (0.24, 2.00, 32.61 ppm; 6.07 A): 1 out of 1 assignment used, quality = 0.73: QD2 LEU 3 + HB3 MET 1 OK 73 73 - 100 - 8022/3.0=48, 2.1/8013=48...(18) Peak 8015 from cnoeabs.peaks (1.31, 2.20, 30.51 ppm; 4.85 A): 3 out of 3 assignments used, quality = 0.94: HG LEU 3 + HG2 MET 1 OK 91 92 - 99 - 2.1/8018=45, 2.1/8017=39...(21) HB3 LEU 42 + HG2 MET 1 OK 32 98 - 32 - 8020/1.8=6, 8024/3.3=5...(14) HG2 ARG 30 + HG2 MET 1 OK 11 77 - 15 - ~8027=3, 8020/1.8=3...(5) Peak 8016 from cnoeabs.peaks (1.47, 2.20, 30.51 ppm; 4.63 A): 6 out of 16 assignments used, quality = 0.91: HD2 LYS 53 + HG2 MET 1 OK 44 84 - 53 - 12114/3.3=10...(11) HG3 LYS 53 + HG2 MET 1 OK 42 99 - 43 - 8023/3.3=8, 8019/1.8=7...(9) HG2 LYS 53 + HG2 MET 1 OK 40 94 - 43 - 8023/3.3=8, ~12114=7...(9) HG13 ILE 52 + HG2 MET 1 OK 27 77 - 36 - 3.8/8034=15, ~8028=5...(6) HG2 LYS 47 + HG2 MET 1 OK 23 61 - 38 - 3.0/28=7, ~35=5...(13) HG2 LYS 20 + HG2 MET 1 OK 15 77 - 19 - 8019/1.8=3, 3.0/24=2...(7) HD3 LYS 40 - HG2 MET 1 lone 9 97 - 10 - 8019/1.8=2, 8023/3.3=1...(4) HD2 LYS 40 - HG2 MET 1 lone 9 96 - 10 - 8019/1.8=2, 8023/3.3=1...(4) HB2 ARG 91 - HG2 MET 1 lone 7 81 - 8 - 8019/1.8=1, ~10353=1 HB2 LEU 38 - HG2 MET 1 lone 6 70 - 8 - ~8031=1, 4.6/8954=1, 8023/3.3=1 HG LEU 38 - HG2 MET 1 lone 6 84 - 7 - 8023/3.3=1 HB2 LEU 27 - HG2 MET 1 lone 6 77 - 7 - 8113/8018=2, 8112/8017=1 HD2 LYS 82 - HG2 MET 1 lone 5 84 - 6 - 8113/8018=1 HG LEU 64 - HG2 MET 1 lone 4 96 - 4 - HG2 LYS 66 - HG2 MET 1 lone 3 61 - 5 - HB3 LEU 64 - HG2 MET 1 lone 3 65 - 4 - 3.9/7031=1 Peak 8017 from cnoeabs.peaks (0.45, 2.20, 30.51 ppm; 4.46 A): 1 out of 2 assignments used, quality = 0.90: QD1 LEU 3 + HG2 MET 1 OK 90 92 - 98 - 2.1/8018=42, 8021/1.8=38...(18) QD1 LEU 55 - HG2 MET 1 poor 7 70 - 10 - 8025/3.3=3, 8021/1.8=3 Peak 8018 from cnoeabs.peaks (0.25, 2.20, 30.51 ppm; 4.03 A): 1 out of 1 assignment used, quality = 0.94: QD2 LEU 3 + HG2 MET 1 OK 94 98 - 96 - 8022/1.8=39, 2.1/8017=28...(20) Peak 8019 from cnoeabs.peaks (1.47, 2.42, 30.51 ppm; 4.36 A): 6 out of 16 assignments used, quality = 0.87: HD2 LYS 53 + HG3 MET 1 OK 40 84 - 48 - 9192/8022=10...(11) HG3 LYS 53 + HG3 MET 1 OK 38 99 - 38 - 8023/3.3=7, ~12114=6...(9) HG2 LYS 53 + HG3 MET 1 OK 36 94 - 38 - 8023/3.3=7, ~12114=6...(9) HG13 ILE 52 + HG3 MET 1 OK 23 77 - 30 - 3.8/8035=11, 8023/3.3=5...(6) HG2 LYS 47 + HG3 MET 1 OK 21 61 - 34 - 3.0/35=7, ~28=4...(11) HG2 LYS 20 + HG3 MET 1 OK 13 77 - 17 - 3.0/31=2, 8016/1.8=2...(5) HD3 LYS 40 - HG3 MET 1 lone 8 97 - 8 - 8016/1.8=1, 8023/3.3=1 HD2 LYS 40 - HG3 MET 1 lone 8 96 - 8 - 8016/1.8=1, 8023/3.3=1 HB2 ARG 91 - HG3 MET 1 lone 7 81 - 8 - 3.0/10353=1 HG LEU 38 - HG3 MET 1 lone 5 84 - 6 - 8023/3.3=1 HB2 LEU 27 - HG3 MET 1 lone 5 77 - 6 - 8113/8022=2, 8112/8021=1 HB2 LEU 38 - HG3 MET 1 lone 4 70 - 6 - ~8031=1 HD2 LYS 82 - HG3 MET 1 lone 4 84 - 5 - 8113/8022=1 HG LEU 64 - HG3 MET 1 lone 3 96 - 3 - HG2 LYS 66 - HG3 MET 1 lone 3 61 - 4 - HB3 LEU 64 - HG3 MET 1 lone 2 65 - 3 - Peak 8020 from cnoeabs.peaks (1.30, 2.42, 30.51 ppm; 5.19 A): 1 out of 4 assignments used, quality = 0.99: HG LEU 3 + HG3 MET 1 OK 99 100 - 99 - 2.1/8022=49, 2.1/8021=43...(20) HB3 LEU 42 - HG3 MET 1 OK 34 99 - 34 - 8015/1.8=9, 8024/3.3=6...(10) HG2 LYS 90 - HG3 MET 1 OK 19 87 - 22 - 3.8/12236=6, 2.9/12232=4...(7) HG2 ARG 30 - HG3 MET 1 OK 17 99 - 18 - ~8027=4, 8024/3.3=3...(5) Peak 8021 from cnoeabs.peaks (0.45, 2.42, 30.51 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.89: QD1 LEU 3 + HG3 MET 1 OK 89 92 - 97 - 2.1/8022=41, 8017/1.8=34...(19) QD1 LEU 55 - HG3 MET 1 lone 6 70 - 9 - 8025/3.3=3, 8017/1.8=3 Peak 8022 from cnoeabs.peaks (0.25, 2.42, 30.51 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.84: QD2 LEU 3 + HG3 MET 1 OK 84 90 - 94 - 8018/1.8=35, 2.1/8021=28...(20) Peak 8023 from cnoeabs.peaks (1.47, 1.98, 16.19 ppm; 3.43 A): 4 out of 14 assignments used, quality = 0.84: HD2 LYS 53 + QE MET 1 OK 44 96 - 46 - 3.0/8029=12, 3.0/8029=12...(9) HG2 LYS 53 + QE MET 1 OK 39 99 - 40 - 3.9/8029=9, 3.9/8029=9...(9) HG3 LYS 53 + QE MET 1 OK 39 100 - 39 - 3.9/8029=9, 3.9/8029=9...(9) HG13 ILE 52 + QE MET 1 OK 25 92 - 28 - 3.8/8033=9, 5.1/8037=8...(6) HG2 LYS 20 - QE MET 1 poor 9 92 - 10 - 3.0/38=2, 8019/3.3=1 HD3 LYS 40 - QE MET 1 lone 6 100 - 6 - HD2 LYS 40 - QE MET 1 lone 6 100 - 6 - HG LEU 38 - QE MET 1 lone 6 96 - 6 - 3.7/8031=1 HB2 LEU 38 - QE MET 1 lone 5 87 - 6 - 3.0/8031=1 HB2 LEU 27 - QE MET 1 lone 4 92 - 4 - 8113/8026=1 HD2 LYS 82 - QE MET 1 lone 3 96 - 3 - HG3 ARG 91 - QE MET 1 lone 3 77 - 4 - HB2 ARG 91 - QE MET 1 lone 3 61 - 4 - HG LEU 64 - QE MET 1 lone 1 84 - 1 - Peak 8024 from cnoeabs.peaks (1.30, 1.98, 16.19 ppm; 5.65 A): 1 out of 4 assignments used, quality = 0.98: HG LEU 3 + QE MET 1 OK 98 99 - 99 - 2.1/8026=50, 2.1/8025=44...(19) HB3 LEU 42 - QE MET 1 OK 37 100 - 37 - 8015/3.3=9, 8020/3.3=7...(10) HG2 ARG 30 - QE MET 1 OK 21 92 - 23 - 1.8/8027=6, 8020/3.3=4...(5) HG2 LYS 90 - QE MET 1 OK 17 70 - 25 - 3.8/8029=4, 8020/3.3=4...(7) Peak 8025 from cnoeabs.peaks (0.45, 1.98, 16.19 ppm; 4.38 A): 1 out of 2 assignments used, quality = 0.88: QD1 LEU 3 + QE MET 1 OK 88 92 - 95 - 2.1/8026=42, 8021/3.3=28...(18) QD1 LEU 55 - QE MET 1 poor 9 70 - 13 - 8017/3.3=2, 8021/3.3=2...(4) Peak 8026 from cnoeabs.peaks (0.25, 1.98, 16.19 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.80: QD2 LEU 3 + QE MET 1 OK 80 90 - 90 - 8022/3.3=27, 2.1/8025=27...(22) Peak 8027 from cnoeabs.peaks (1.53, 1.98, 16.19 ppm; 4.08 A): 0 out of 9 assignments used, low quality = 0.22: HG LEU 2 - QE MET 1 OK 22 84 - 26 - 4.7/43=10, 2.1/8028=6...(6) HG3 ARG 30 - QE MET 1 lone 8 100 - 8 - 1.8/8024=2, ~8020=1, ~8015=1 HB2 LEU 14 - QE MET 1 lone 7 98 - 7 - 8431/3.3=1 HB ILE 7 - QE MET 1 lone 6 98 - 6 - 2.1/8028=2 HG2 ARG 79 - QE MET 1 lone 5 98 - 5 - 4.7/43=4 HG3 ARG 79 - QE MET 1 lone 5 97 - 5 - 4.7/43=4 HG12 ILE 56 - QE MET 1 lone 3 100 - 3 - HG LEU 6 - QE MET 1 lone 2 100 - 2 - HB3 LEU 103 - QE MET 1 lone 1 99 - 1 - Peak 8028 from cnoeabs.peaks (0.79, 1.98, 16.19 ppm; 4.74 A): 5 out of 8 assignments used, quality = 0.77: QG2 ILE 52 + QE MET 1 OK 49 84 - 59 - 3.2/8033=21, 4.0/8037=19...(12) QD2 LEU 2 + QE MET 1 OK 31 70 - 45 - 2.1/8027=16, 4.7/43=14...(8) QD1 ILE 76 + QE MET 1 OK 15 94 - 16 - 8010/5.3=2, 10888/43=2, 9670=2 QG2 ILE 7 + QE MET 1 OK 12 97 - 12 - 2.1/8027=5, 8010/5.3=1 QG2 ILE 8 + QE MET 1 OK 11 99 - 11 - 8309/3.3=2, 12205/4.2=2 QD2 LEU 57 - QE MET 1 lone 8 99 - 8 - 10213/8025=1, 10213/8025=1 QD2 LEU 70 - QE MET 1 lone 4 73 - 6 - 8010/5.3=1 QG2 ILE 15 - QE MET 1 lone 3 65 - 5 - 8010/5.3=1 Peak 8029 from cnoeabs.peaks (2.82, 1.98, 16.19 ppm; 3.43 A): 2 out of 3 assignments used, quality = 0.63: HE2 LYS 53 + QE MET 1 OK 40 98 - 41 - 12116=12, 1.8/12117=9...(9) HE3 LYS 53 + QE MET 1 OK 38 94 - 41 - 12116=11, 1.8/12117=10...(9) HE2 LYS 90 - QE MET 1 lone 8 84 - 10 - 1.8/8030=2, 12236/3.3=2...(5) Peak 8030 from cnoeabs.peaks (2.95, 1.98, 16.19 ppm; 4.13 A): 3 out of 11 assignments used, quality = 0.78: HB2 ASN 51 + QE MET 1 OK 70 100 - 70 - 3.0/8032=31, 4.6/8037=13...(10) HG2 MET 21 + QE MET 1 OK 17 97 - 17 - 5.1/8036=4, 2315/8032=2...(7) HE3 LYS 90 + QE MET 1 OK 12 90 - 13 - 1.8/8029=4, ~12236=3...(4) HE3 LYS 73 - QE MET 1 lone 9 100 - 9 - 6.7/37=1, 4.9/38=1 HE2 LYS 73 - QE MET 1 lone 9 99 - 9 - 6.7/37=1, 4.9/38=1 HE3 LYS 13 - QE MET 1 lone 3 90 - 3 - HB2 ASN 10 - QE MET 1 lone 3 61 - 4 - HE2 LYS 13 - QE MET 1 lone 3 84 - 3 - HE2 LYS 24 - QE MET 1 lone 2 77 - 2 - HE3 LYS 24 - QE MET 1 lone 2 77 - 2 - HE3 LYS 12 - QE MET 1 lone 1 65 - 2 - Peak 8031 from cnoeabs.peaks (3.87, 1.98, 16.19 ppm; 5.04 A): 5 out of 11 assignments used, quality = 0.60: HA2 GLY 101 + QE MET 1 OK 22 100 - 22 - ~10353=7, 1.8/10100=6...(5) HA GLU 35 + QE MET 1 OK 21 65 - 32 - 4.1/40=5, 4.1/40=5...(14) HA2 GLY 100 + QE MET 1 OK 16 100 - 16 - 10093/8025=6...(3) HA LYS 40 + QE MET 1 OK 12 99 - 12 - 12051/8025=2...(3) HA LEU 38 + QE MET 1 OK 11 99 - 11 - 2.9/6581=2, 3.7/8023=1 HA LYS 94 - QE MET 1 lone 9 100 - 9 - 12051/8025=1...(3) HB3 SER 49 - QE MET 1 poor 9 87 - 10 - 1.8/9062=2, 9068=1...(4) HA GLU 43 - QE MET 1 lone 8 81 - 9 - 3.7/40=1, ~6695=1 HA ARG 91 - QE MET 1 lone 6 61 - 9 - 3.0/8037=1 HA LYS 12 - QE MET 1 lone 3 81 - 4 - HA ALA 67 - QE MET 1 lone 3 77 - 3 - Peak 8032 from cnoeabs.peaks (4.98, 1.98, 16.19 ppm; 3.98 A): 1 out of 1 assignment used, quality = 0.55: HA ASN 51 + QE MET 1 OK 55 100 - 55 - 3.0/8030=15, 3.6/8037=15...(8) Peak 8033 from cnoeabs.peaks (5.33, 1.98, 16.19 ppm; 4.66 A): 2 out of 2 assignments used, quality = 0.82: HA ILE 52 + QE MET 1 OK 70 98 - 72 - 3.0/8037=23, 8034/3.3=17...(12) HA THR 80 + QE MET 1 OK 39 100 - 39 - 8034/3.3=10, 8004/5.3=8...(10) Peak 8034 from cnoeabs.peaks (5.33, 2.20, 30.51 ppm; 5.15 A): 2 out of 2 assignments used, quality = 0.88: HA ILE 52 + HG2 MET 1 OK 77 98 - 79 - 8033/3.3=23, 8035/1.8=20...(14) HA THR 80 + HG2 MET 1 OK 46 100 - 46 - 8033/3.3=13, 8004/4.2=12...(8) Peak 8035 from cnoeabs.peaks (5.34, 2.42, 30.51 ppm; 5.77 A): 2 out of 2 assignments used, quality = 0.92: HA ILE 52 + HG3 MET 1 OK 83 100 - 84 - 8034/1.8=28, 8033/3.3=26...(15) HA THR 80 + HG3 MET 1 OK 49 98 - 50 - 8034/1.8=17, 8033/3.3=14...(7) Peak 8036 from cnoeabs.peaks (7.68, 1.98, 16.19 ppm; 5.52 A): 3 out of 3 assignments used, quality = 0.90: HD22 ASN 51 + QE MET 1 OK 83 100 - 83 - 4.4/8032=38, 1.7/8038=28...(12) H MET 21 + QE MET 1 OK 35 100 - 35 - 2318/8032=5, 8001/5.3=4...(14) H SER 85 + QE MET 1 OK 13 98 - 13 - 9860=4, 8001/5.3=2, 2318/8032=1 Peak 8037 from cnoeabs.peaks (7.49, 1.98, 16.19 ppm; 4.69 A): 2 out of 5 assignments used, quality = 0.82: H ILE 52 + QE MET 1 OK 78 99 - 79 - 3.6/8032=35, 3.0/8033=21...(12) H LYS 47 + QE MET 1 OK 15 70 - 22 - 2.9/37=5, 4.0/38=3...(8) HZ2 TRP 92 - QE MET 1 lone 7 100 - 7 - 2334/8033=2, 2319/8032=1 HE ARG 46 - QE MET 1 lone 6 61 - 9 - 3.6/2088=1, 2.9/2106=1...(5) H ARG 91 - QE MET 1 lone 4 61 - 7 - 3.0/8031=1 Peak 8038 from cnoeabs.peaks (6.97, 1.98, 16.19 ppm; 5.35 A): 3 out of 4 assignments used, quality = 0.84: HD21 ASN 51 + QE MET 1 OK 77 96 - 80 - 4.4/8032=36, 1.7/8036=25...(10) HE2 PHE 96 + QE MET 1 OK 19 92 - 21 - 8072/8026=7, 8074/8025=4...(5) HE1 PHE 96 + QE MET 1 OK 18 87 - 20 - 8072/8026=7, 8074/8025=4...(5) HD21 ASN 10 - QE MET 1 lone 6 81 - 7 - 2324/8030=1 Peak 8039 from cnoeabs.peaks (6.45, 1.70, 43.59 ppm; 4.11 A): 4 out of 4 assignments used, quality = 0.98: HE1 TYR 4 + HB2 LEU 2 OK 65 100 - 65 - 8155/1.8=10, 8153=10...(18) HE2 TYR 4 + HB2 LEU 2 OK 64 100 - 65 - 8155/1.8=10, 8153=10...(18) HD1 TYR 4 + HB2 LEU 2 OK 59 87 - 67 - 8040/1.8=9, 8042/3.1=8...(22) HD2 TYR 4 + HB2 LEU 2 OK 58 87 - 67 - 8040/1.8=9, 8042/3.1=8...(22) Peak 8040 from cnoeabs.peaks (6.44, 1.33, 43.59 ppm; 4.01 A): 4 out of 4 assignments used, quality = 0.96: HD1 TYR 4 + HB3 LEU 2 OK 60 100 - 61 - 2.5/8155=9, 14573/1.8=8...(19) HD2 TYR 4 + HB3 LEU 2 OK 60 100 - 60 - 2.5/8155=9, 14573/1.8=7...(19) HE1 TYR 4 + HB3 LEU 2 OK 53 92 - 58 - 8039/1.8=8, 8155=8...(19) HE2 TYR 4 + HB3 LEU 2 OK 50 87 - 57 - 8039/1.8=8, 8155=8...(19) Peak 8041 from cnoeabs.peaks (6.45, 0.81, 23.49 ppm; 4.04 A): 4 out of 4 assignments used, quality = 0.94: HE1 TYR 4 + QD2 LEU 2 OK 53 100 - 53 - 8042/2.1=9, 8155/3.1=8...(15) HE2 TYR 4 + QD2 LEU 2 OK 53 100 - 53 - 8042/2.1=9, 8155/3.1=8...(15) HD1 TYR 4 + QD2 LEU 2 OK 46 81 - 58 - 8042/2.1=9, 10358/2.1=7...(17) HD2 TYR 4 + QD2 LEU 2 OK 46 81 - 57 - 8042/2.1=9, 10358/2.1=7...(17) Peak 8042 from cnoeabs.peaks (6.44, 0.88, 24.80 ppm; 3.85 A): 4 out of 4 assignments used, quality = 0.96: HE1 TYR 4 + QD1 LEU 2 OK 57 100 - 57 - 8041/2.1=9, 8157=8...(18) HE2 TYR 4 + QD1 LEU 2 OK 56 99 - 57 - 8041/2.1=8, 8157=8...(18) HD1 TYR 4 + QD1 LEU 2 OK 55 94 - 59 - 8041/2.1=7, 2.5/8157=7...(19) HD2 TYR 4 + QD1 LEU 2 OK 55 94 - 58 - 2.5/8157=7, 8041/2.1=7...(19) Peak 8045 from cnoeabs.peaks (5.32, 4.46, 54.47 ppm; 6.14 A): 2 out of 2 assignments used, quality = 0.86: HA ILE 52 + HA LEU 2 OK 63 81 - 78 - 8046/3.0=28, 8047/3.0=26...(13) HA THR 80 + HA LEU 2 OK 62 96 - 65 - 8047/3.0=18, 8046/3.0=18...(15) Peak 8046 from cnoeabs.peaks (5.33, 1.70, 43.59 ppm; 4.42 A): 2 out of 2 assignments used, quality = 0.85: HA ILE 52 + HB2 LEU 2 OK 72 94 - 77 - 8047/1.8=19, 3.8/8051=18...(14) HA THR 80 + HB2 LEU 2 OK 45 100 - 45 - 8047/1.8=14, 8045/3.0=9...(14) Peak 8047 from cnoeabs.peaks (5.33, 1.33, 43.59 ppm; 4.87 A): 2 out of 2 assignments used, quality = 0.88: HA ILE 52 + HB3 LEU 2 OK 74 94 - 79 - 8046/1.8=27, 3.8/8052=19...(13) HA THR 80 + HB3 LEU 2 OK 53 100 - 53 - 8046/1.8=17, 8045/3.0=11...(14) Peak 8048 from cnoeabs.peaks (5.40, 0.81, 23.49 ppm; 4.29 A): 0 out of 1 assignment used, low quality = 0.42: HA LEU 57 - QD2 LEU 2 OK 42 100 - 42 - 2605/2.1=7, ~12133=4...(17) Peak 8049 from cnoeabs.peaks (5.36, 0.88, 24.80 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.52: HA ILE 52 + QD1 LEU 2 OK 52 70 - 75 - 10356/2.1=34...(11) Peak 8050 from cnoeabs.peaks (0.44, 4.46, 54.47 ppm; 4.69 A): 2 out of 3 assignments used, quality = 0.64: QD1 LEU 3 + HA LEU 2 OK 47 61 - 77 - 4.7/6018=32, 2.1/8085=27...(7) QD1 LEU 55 + HA LEU 2 OK 31 96 - 32 - 9279/3.0=13, ~8051=6...(7) HG2 ARG 81 - HA LEU 2 lone 2 73 - 3 - Peak 8051 from cnoeabs.peaks (1.03, 1.70, 43.59 ppm; 4.35 A): 2 out of 2 assignments used, quality = 0.72: HG12 ILE 52 + HB2 LEU 2 OK 60 94 - 64 - 8052/1.8=21, 3.8/8046=16...(11) HB3 LEU 55 + HB2 LEU 2 OK 29 99 - 29 - 8052/1.8=10, ~8050=5...(8) Peak 8052 from cnoeabs.peaks (1.04, 1.33, 43.59 ppm; 4.92 A): 2 out of 2 assignments used, quality = 0.81: HG12 ILE 52 + HB3 LEU 2 OK 70 99 - 71 - 8051/1.8=30, 3.8/8047=17...(14) HB3 LEU 55 + HB3 LEU 2 OK 35 92 - 38 - 8051/1.8=14, ~8050=7...(9) Peak 8053 from cnoeabs.peaks (2.01, 0.88, 24.80 ppm; 3.85 A): 6 out of 9 assignments used, quality = 0.91: HB3 MET 1 + QD1 LEU 2 OK 42 94 - 44 - 4.6/84=9, ~8009=6...(13) QE MET 74 + QD1 LEU 2 OK 36 92 - 40 - 9603/3.1=11, 10868=7...(10) HB2 GLN 50 + QD1 LEU 2 OK 34 87 - 40 - 8057/2.1=8, 4.5/9093=8...(8) HB2 GLU 35 + QD1 LEU 2 OK 33 99 - 34 - 8057/2.1=5, 2.9/8054=5...(12) HB3 GLU 17 + QD1 LEU 2 OK 25 99 - 25 - 3.0/8056=6, ~12026=5...(8) HB3 LYS 94 + QD1 LEU 2 OK 24 90 - 27 - 8057/2.1=6, 2.9/87=3...(10) HB2 GLU 44 - QD1 LEU 2 lone 5 90 - 5 - HB3 GLU 44 - QD1 LEU 2 lone 5 90 - 5 - HB2 GLU 62 - QD1 LEU 2 lone 4 99 - 4 - Peak 8054 from cnoeabs.peaks (2.21, 0.88, 24.80 ppm; 4.18 A): 6 out of 10 assignments used, quality = 0.83: HG2 MET 1 + QD1 LEU 2 OK 34 96 - 36 - 29/4.7=9, 1.8/8056=8...(8) HG3 GLU 35 + QD1 LEU 2 OK 30 92 - 32 - 2.9/8053=5, 4.1/10124=4...(12) HG2 GLU 35 + QD1 LEU 2 OK 30 92 - 32 - 2.9/8053=5, 4.1/10124=4...(12) HG2 GLU 43 + QD1 LEU 2 OK 25 65 - 39 - 1.8/8055=17, ~10606=6...(8) HG3 PRO 86 + QD1 LEU 2 OK 22 90 - 25 - ~9882=3, 1.8/86=3...(10) HB2 GLU 63 + QD1 LEU 2 OK 12 94 - 13 - ~10746=3, ~10745=2...(4) HB3 GLU 75 - QD1 LEU 2 lone 5 70 - 7 - 4.1/7255=4 HB2 GLU 95 - QD1 LEU 2 lone 3 100 - 3 - HG2 GLU 99 - QD1 LEU 2 lone 2 77 - 3 - 1.8/8056=1 HG2 GLU 98 - QD1 LEU 2 lone 1 94 - 1 - Peak 8055 from cnoeabs.peaks (2.32, 0.88, 24.80 ppm; 4.33 A): 3 out of 6 assignments used, quality = 0.60: HG3 GLU 43 + QD1 LEU 2 OK 42 100 - 42 - 10606/2.1=9, 10605/3.1=7...(9) HG2 GLU 48 + QD1 LEU 2 OK 23 94 - 25 - 1.8/8056=8, 3.0/9038=7...(5) HB2 TYR 41 + QD1 LEU 2 OK 12 92 - 13 - 4.1/8912=5, 4.0/8868=2 HG2 GLU 16 - QD1 LEU 2 lone 6 81 - 7 - 1.8/10426=1 HD3 ARG 81 - QD1 LEU 2 lone 3 73 - 4 - HG3 GLU 69 - QD1 LEU 2 lone 2 73 - 2 - Peak 8056 from cnoeabs.peaks (2.43, 0.88, 24.80 ppm; 4.12 A): 4 out of 7 assignments used, quality = 0.83: HG3 GLN 50 + QD1 LEU 2 OK 41 99 - 41 - 3.5/9093=12, 3.5/9091=12...(8) HG3 MET 1 + QD1 LEU 2 OK 35 96 - 37 - 36/4.7=8, 1.8/8054=8...(8) HG3 GLU 17 + QD1 LEU 2 OK 35 100 - 35 - 10432=6, 10430/2.1=5...(10) HG3 GLU 48 + QD1 LEU 2 OK 33 100 - 33 - 1.8/8055=10, 3.0/9038=6...(8) HG2 GLN 72 - QD1 LEU 2 lone 10 100 - 10 - 6007/4.7=2, 3217/5.0=2 HB2 ASP 11 - QD1 LEU 2 lone 6 98 - 6 - 8363/2.1=1 HG3 GLU 99 - QD1 LEU 2 lone 5 87 - 5 - Peak 8057 from cnoeabs.peaks (2.02, 0.81, 23.49 ppm; 4.02 A): 4 out of 7 assignments used, quality = 0.74: HB2 GLN 50 + QD2 LEU 2 OK 40 100 - 40 - 4.5/12038=15...(8) HB3 LYS 94 + QD2 LEU 2 OK 28 100 - 28 - 3.5/11009=4, 2.9/79=4...(11) HB2 GLU 35 + QD2 LEU 2 OK 24 77 - 32 - 8053/2.1=5, 1.8/10420=4...(12) HB3 GLU 17 + QD2 LEU 2 OK 21 73 - 29 - ~12026=6, ~10432=4...(11) HG12 ILE 93 - QD2 LEU 2 lone 4 77 - 5 - HB2 GLU 62 - QD2 LEU 2 lone 4 97 - 4 - HB3 GLU 99 - QD2 LEU 2 lone 2 77 - 3 - Peak 8058 from cnoeabs.peaks (2.19, 0.81, 23.49 ppm; 4.21 A): 7 out of 11 assignments used, quality = 0.93: HG2 GLU 43 + QD2 LEU 2 OK 42 100 - 42 - ~8055=12, 1.8/10606=9...(9) HB3 GLN 50 + QD2 LEU 2 OK 41 87 - 48 - 4.5/12038=16...(9) HG3 GLU 35 + QD2 LEU 2 OK 34 92 - 37 - 2.9/8057=6, ~8054=5...(12) HG2 GLU 35 + QD2 LEU 2 OK 34 92 - 37 - 2.9/8057=6, ~8054=5...(12) HG2 MET 1 + QD2 LEU 2 OK 32 87 - 36 - 4.2/8010=8, 29/4.7=7...(9) HG3 PRO 86 + QD2 LEU 2 OK 24 94 - 26 - 12221/2.1=4, ~9882=3...(11) HB2 GLU 63 + QD2 LEU 2 OK 14 90 - 16 - 1.8/10746=5, 3.0/10745=3...(4) HB3 GLU 75 - QD2 LEU 2 lone 7 100 - 7 - 4.1/7258=2 HG3 GLU 75 - QD2 LEU 2 lone 4 87 - 4 - HG2 GLU 75 - QD2 LEU 2 lone 3 81 - 4 - HB2 GLU 95 - QD2 LEU 2 lone 3 65 - 4 - Peak 8060 from cnoeabs.peaks (7.04, 5.13, 53.57 ppm; 5.04 A): 2 out of 2 assignments used, quality = 0.94: HD1 PHE 96 + HA LEU 3 OK 76 96 - 79 - 8065/3.0=17, 8073/3.9=15...(14) HD2 PHE 96 + HA LEU 3 OK 74 94 - 79 - 8065/3.0=17, 8073/3.9=15...(14) Peak 8061 from cnoeabs.peaks (6.96, 5.13, 53.57 ppm; 5.92 A): 2 out of 3 assignments used, quality = 1.00: HE1 PHE 96 + HA LEU 3 OK 93 100 - 93 - 2.5/8060=23, 8068/3.0=21...(19) HE2 PHE 96 + HA LEU 3 OK 93 100 - 93 - 2.5/8060=22, 8068/3.0=21...(19) HD21 ASN 51 - HA LEU 3 poor 9 57 - 16 - 8072/3.9=3, 8066/3.0=2...(6) Peak 8062 from cnoeabs.peaks (6.44, 5.13, 53.57 ppm; 5.33 A): 4 out of 4 assignments used, quality = 0.88: HD2 TYR 4 + HA LEU 3 OK 50 100 - 50 - 5.4/99=23, 8059/3.0=8...(11) HD1 TYR 4 + HA LEU 3 OK 49 100 - 49 - 5.6/99=22, 8059/3.0=8...(11) HE1 TYR 4 + HA LEU 3 OK 34 90 - 38 - 7.6/99=12, 8059/3.0=8...(9) HE2 TYR 4 + HA LEU 3 OK 32 84 - 38 - 7.4/99=13, 8059/3.0=8...(10) Peak 8064 from cnoeabs.peaks (8.47, 5.13, 53.57 ppm; 3.97 A): 4 out of 5 assignments used, quality = 0.92: H LYS 53 + HA LEU 3 OK 79 100 - 79 - 9182/3.9=24, 9178=24...(15) H ILE 7 + HA LEU 3 OK 47 92 - 51 - 6078=10, 4.0/250=6...(16) H VAL 32 + HA LEU 3 OK 18 87 - 20 - 6507/3.0=4, 10516/3.0=3...(7) H LEU 29 + HA LEU 3 OK 17 70 - 24 - 4.0/95=3, 6468/3.0=3...(7) H ALA 67 - HA LEU 3 poor 9 87 - 10 - 8078/3.9=2, 10365/3.0=1...(5) Peak 8065 from cnoeabs.peaks (7.04, 1.55, 44.04 ppm; 5.00 A): 2 out of 2 assignments used, quality = 0.97: HD1 PHE 96 + HB2 LEU 3 OK 85 96 - 89 - 2.5/8066=18, 8073/3.1=17...(19) HD2 PHE 96 + HB2 LEU 3 OK 83 94 - 88 - 2.5/8066=18, 8067/1.8=17...(19) Peak 8066 from cnoeabs.peaks (6.97, 1.55, 44.04 ppm; 4.73 A): 2 out of 4 assignments used, quality = 0.97: HE2 PHE 96 + HB2 LEU 3 OK 84 96 - 88 - 8068/1.8=20, 8072/3.1=17...(21) HE1 PHE 96 + HB2 LEU 3 OK 81 92 - 88 - 8068/1.8=20, 8072/3.1=17...(21) HD21 ASN 51 - HB2 LEU 3 OK 11 92 - 12 - 8072/3.1=2, 8068/1.8=2...(5) HD21 ASN 10 - HB2 LEU 3 lone 2 73 - 2 - Peak 8067 from cnoeabs.peaks (7.03, 1.15, 44.04 ppm; 4.86 A): 2 out of 2 assignments used, quality = 0.97: HD1 PHE 96 + HB3 LEU 3 OK 82 100 - 82 - 2.5/8068=19, 8065/1.8=16...(17) HD2 PHE 96 + HB3 LEU 3 OK 82 100 - 82 - 2.5/8068=19, 8065/1.8=16...(17) Peak 8068 from cnoeabs.peaks (6.96, 1.15, 44.04 ppm; 4.48 A): 2 out of 3 assignments used, quality = 0.98: HE2 PHE 96 + HB3 LEU 3 OK 86 100 - 87 - 8066/1.8=17, 8072/3.1=16...(21) HE1 PHE 96 + HB3 LEU 3 OK 86 99 - 87 - 8072/3.1=16, 8066/1.8=16...(21) HD21 ASN 51 - HB3 LEU 3 poor 8 77 - 11 - 8072/3.1=2, 8066/1.8=2...(5) Peak 8069 from cnoeabs.peaks (7.04, 1.30, 27.70 ppm; 5.36 A): 2 out of 2 assignments used, quality = 0.94: HD1 PHE 96 + HG LEU 3 OK 77 87 - 89 - 8073/2.1=22, 2.5/8070=20...(16) HD2 PHE 96 + HG LEU 3 OK 74 84 - 89 - 8073/2.1=21, 2.5/8070=20...(16) Peak 8070 from cnoeabs.peaks (6.96, 1.30, 27.70 ppm; 4.86 A): 2 out of 3 assignments used, quality = 0.98: HE1 PHE 96 + HG LEU 3 OK 86 100 - 86 - 8072/2.1=21, 8074/2.1=19...(17) HE2 PHE 96 + HG LEU 3 OK 86 100 - 86 - 8072/2.1=21, 8074/2.1=19...(17) HD21 ASN 51 - HG LEU 3 poor 8 57 - 15 - 8072/2.1=3, 8038/8024=2...(6) Peak 8071 from cnoeabs.peaks (7.04, 0.26, 24.15 ppm; 3.93 A): 3 out of 3 assignments used, quality = 0.90: HD1 PHE 96 + QD2 LEU 3 OK 63 84 - 75 - 2.5/8072=15, 8073/2.1=12...(19) HD2 PHE 96 + QD2 LEU 3 OK 60 81 - 74 - 2.5/8072=15, 8073/2.1=12...(19) HZ PHE 96 + QD2 LEU 3 OK 34 61 - 55 - 2.5/8072=15, 2.5/8072=15...(12) Peak 8072 from cnoeabs.peaks (6.96, 0.26, 24.15 ppm; 4.01 A): 2 out of 3 assignments used, quality = 0.96: HE2 PHE 96 + QD2 LEU 3 OK 81 100 - 81 - 2.5/8071=13, 8074/2.1=13...(23) HE1 PHE 96 + QD2 LEU 3 OK 80 99 - 81 - 2.5/8071=14, 8074/2.1=13...(23) HD21 ASN 51 - QD2 LEU 3 OK 11 77 - 15 - 8038/8026=4, 8066/3.1=1...(5) Peak 8073 from cnoeabs.peaks (7.04, 0.46, 24.71 ppm; 4.80 A): 2 out of 2 assignments used, quality = 0.98: HD1 PHE 96 + QD1 LEU 3 OK 86 96 - 90 - 8071/2.1=18, 2.5/8074=17...(22) HD2 PHE 96 + QD1 LEU 3 OK 84 94 - 90 - 2.5/8074=17, 8071/2.1=17...(22) Peak 8074 from cnoeabs.peaks (6.96, 0.46, 24.71 ppm; 4.69 A): 2 out of 3 assignments used, quality = 0.99: HE1 PHE 96 + QD1 LEU 3 OK 89 100 - 89 - 8072/2.1=20, 2.5/8073=17...(20) HE2 PHE 96 + QD1 LEU 3 OK 89 100 - 89 - 8072/2.1=20, 2.5/8073=17...(21) HD21 ASN 51 - QD1 LEU 3 poor 10 57 - 17 - 8038/8025=4, 8072/2.1=3...(7) Peak 8075 from cnoeabs.peaks (8.15, 0.46, 24.71 ppm; 5.41 A): 2 out of 3 assignments used, quality = 0.78: H GLY 100 + QD1 LEU 3 OK 74 81 - 92 - 10085=31, 2.9/10089=31...(11) H TRP 92 + QD1 LEU 3 OK 15 73 - 21 - 4.7/139=8, 7453/12307=2...(5) H HIS 106 - QD1 LEU 3 lone 3 100 - 3 - 7613/10084=1 Peak 8076 from cnoeabs.peaks (8.22, 0.46, 24.71 ppm; 5.36 A): 2 out of 3 assignments used, quality = 0.95: H SER 97 + QD1 LEU 3 OK 87 100 - 87 - 3.0/10066=48, ~10067=29...(13) H PHE 96 + QD1 LEU 3 OK 62 98 - 63 - 4.1/10048=18...(13) H GLU 104 - QD1 LEU 3 OK 12 100 - 12 - 4343/10066=3...(4) Peak 8077 from cnoeabs.peaks (8.47, 0.46, 24.71 ppm; 5.35 A): 3 out of 5 assignments used, quality = 0.97: H LYS 53 + QD1 LEU 3 OK 91 97 - 94 - 9182/2.1=46, 9181=40...(21) H ILE 7 + QD1 LEU 3 OK 39 73 - 53 - 8064/3.9=10, 3.0/133=9...(10) H VAL 54 + QD1 LEU 3 OK 38 73 - 52 - 4.7/9181=23, 8122/5.0=13...(6) H VAL 32 - QD1 LEU 3 OK 32 98 - 32 - 6507/3.1=7, 8078/2.1=6...(7) H ALA 67 - QD1 LEU 3 OK 18 98 - 18 - 8078/2.1=3, 10365/3.1=3...(6) Peak 8078 from cnoeabs.peaks (8.47, 0.26, 24.15 ppm; 4.07 A): 3 out of 5 assignments used, quality = 0.95: H LYS 53 + QD2 LEU 3 OK 87 97 - 90 - 9182=40, 3.9/9186=24...(21) H VAL 54 + QD2 LEU 3 OK 40 73 - 55 - 4.4/9186=21, 4.7/9182=17...(9) H ILE 7 + QD2 LEU 3 OK 28 73 - 38 - 3.0/125=7, 8064/3.9=7...(10) H VAL 32 - QD2 LEU 3 OK 22 98 - 22 - 6507/3.1=5, 8077/2.1=3...(7) H ALA 67 - QD2 LEU 3 OK 13 98 - 13 - 8077/2.1=2, 10365/3.1=2...(5) Peak 8079 from cnoeabs.peaks (8.47, 1.30, 27.70 ppm; 5.30 A): 2 out of 5 assignments used, quality = 0.96: H LYS 53 + HG LEU 3 OK 93 100 - 93 - 9182/2.1=49, 9181/2.1=38...(20) H ILE 7 + HG LEU 3 OK 49 90 - 54 - 8064/3.7=11, 3.0/117=9...(12) H VAL 32 - HG LEU 3 OK 30 90 - 33 - 10365/3.0=6, 4.6/6495=6...(7) H LEU 29 - HG LEU 3 OK 24 65 - 37 - 4.6/6485=6, ~1265=6...(9) H ALA 67 - HG LEU 3 OK 15 90 - 17 - 8078/2.1=3, 8077/2.1=3...(4) Peak 8080 from cnoeabs.peaks (4.66, 1.55, 44.04 ppm; 5.30 A): 2 out of 2 assignments used, quality = 0.70: HA LEU 27 + HB2 LEU 3 OK 66 100 - 67 - 8086/3.1=24, 8088/4.0=20...(9) HA LEU 55 + HB2 LEU 3 OK 10 77 - 13 - 8088/4.0=4, 10669/8066=2...(5) Peak 8081 from cnoeabs.peaks (4.46, 1.55, 44.04 ppm; 5.49 A): 2 out of 2 assignments used, quality = 0.84: HA LEU 2 + HB2 LEU 3 OK 82 96 - 86 - 6018/4.0=44, 8084/3.0=33...(7) HB THR 84 + HB2 LEU 3 OK 12 77 - 15 - 8084/3.0=6, 8083/1.8=6 Peak 8083 from cnoeabs.peaks (4.45, 1.15, 44.04 ppm; 6.42 A): 2 out of 2 assignments used, quality = 0.80: HA LEU 2 + HB3 LEU 3 OK 75 84 - 90 - 6018/4.0=42, 8081/1.8=41...(7) HB THR 84 + HB3 LEU 3 OK 18 92 - 19 - 8084/3.0=7, 8081/1.8=6, ~9838=4 Peak 8084 from cnoeabs.peaks (4.45, 1.30, 27.70 ppm; 4.87 A): 2 out of 2 assignments used, quality = 0.63: HA LEU 2 + HG LEU 3 OK 59 84 - 70 - 6018/5.0=27, 8081/3.0=24...(7) HB THR 84 + HG LEU 3 OK 11 92 - 11 - 8083/3.0=4, 8081/3.0=4, ~9838=2 Peak 8085 from cnoeabs.peaks (4.46, 0.26, 24.15 ppm; 5.65 A): 1 out of 1 assignment used, quality = 0.84: HA LEU 2 + QD2 LEU 3 OK 84 100 - 84 - 6018/4.7=43, 8087/2.1=38...(8) Peak 8086 from cnoeabs.peaks (4.64, 0.46, 24.71 ppm; 5.61 A): 1 out of 1 assignment used, quality = 0.73: HA LEU 27 + QD1 LEU 3 OK 73 96 - 76 - 4.0/10137=38...(9) Peak 8087 from cnoeabs.peaks (4.47, 0.46, 24.71 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.55: HA LEU 2 + QD1 LEU 3 OK 55 87 - 63 - 3.6/6029=35, 8085/2.1=24...(6) Peak 8089 from cnoeabs.peaks (3.93, 0.26, 24.15 ppm; 4.69 A): 3 out of 5 assignments used, quality = 0.67: HB2 SER 97 + QD2 LEU 3 OK 54 70 - 78 - ~10066=26, 3.0/8090=24...(7) HA TYR 41 + QD2 LEU 3 OK 18 98 - 19 - 10585/3.1=5, 4.8/12053=4...(5) HA GLU 44 + QD2 LEU 3 OK 11 99 - 11 - 8092/2.1=3, 3.0/8101=2 HA GLU 63 - QD2 LEU 3 lone 3 61 - 4 - HB3 SER 9 - QD2 LEU 3 lone 2 97 - 2 - Peak 8090 from cnoeabs.peaks (3.83, 0.26, 24.15 ppm; 4.14 A): 3 out of 4 assignments used, quality = 0.80: HA SER 97 + QD2 LEU 3 OK 72 94 - 76 - 10066/2.1=37, 10067=20...(9) HA ALA 22 + QD2 LEU 3 OK 16 100 - 16 - 8093/2.1=5, 8641/10135=4 HB3 SER 102 + QD2 LEU 3 OK 15 77 - 20 - 10109/2.1=9, ~10114=8 HA ARG 19 - QD2 LEU 3 lone 6 73 - 8 - 8093/2.1=2, 8640/10136=1 Peak 8091 from cnoeabs.peaks (3.72, 0.26, 24.15 ppm; 4.85 A): 3 out of 3 assignments used, quality = 0.93: HA3 GLY 100 + QD2 LEU 3 OK 88 97 - 91 - 10090=43, 10089/2.1=32...(10) HA LEU 42 + QD2 LEU 3 OK 27 65 - 42 - 8094/2.1=9, 3.0/128=9...(9) HA GLU 37 + QD2 LEU 3 OK 13 81 - 16 - 8094/2.1=4, ~8097=2...(4) Peak 8092 from cnoeabs.peaks (3.94, 0.46, 24.71 ppm; 4.67 A): 3 out of 4 assignments used, quality = 0.84: HB2 SER 97 + QD1 LEU 3 OK 80 98 - 82 - 3.0/10066=41...(10) HA TYR 41 + QD1 LEU 3 OK 12 70 - 17 - 8089/2.1=6, 4.8/12051=4...(4) HA GLU 44 + QD1 LEU 3 OK 10 97 - 10 - 8089/2.1=4, ~8101=1 HB3 SER 9 - QD1 LEU 3 lone 1 65 - 2 - Peak 8093 from cnoeabs.peaks (3.83, 0.46, 24.71 ppm; 3.55 A): 3 out of 4 assignments used, quality = 0.78: HA SER 97 + QD1 LEU 3 OK 71 94 - 76 - 10066=44, 10067/2.1=19...(11) HB3 SER 102 + QD1 LEU 3 OK 15 77 - 19 - ~10114=6, 4.0/12307=5...(4) HA ALA 22 + QD1 LEU 3 OK 12 100 - 12 - 8090/2.1=4, 8641/10137=4 HA ARG 19 - QD1 LEU 3 lone 5 73 - 6 - 8090/2.1=1 Peak 8094 from cnoeabs.peaks (3.71, 0.46, 24.71 ppm; 4.72 A): 3 out of 3 assignments used, quality = 0.93: HA3 GLY 100 + QD1 LEU 3 OK 86 100 - 86 - 10089=37, 10090/2.1=37...(7) HA LEU 42 + QD1 LEU 3 OK 40 96 - 42 - 3.0/136=8, 1901/2.1=8...(9) HA GLU 37 + QD1 LEU 3 OK 16 99 - 16 - 8091/2.1=3, 3.0/8097=3, ~8116=1 Peak 8095 from cnoeabs.peaks (2.43, 0.46, 24.71 ppm; 4.74 A): 6 out of 7 assignments used, quality = 0.94: HG3 MET 1 + QD1 LEU 3 OK 79 81 - 98 - 1.8/8017=34, ~8018=33...(19) HG3 GLU 99 + QD1 LEU 3 OK 43 98 - 43 - 4.7/10085=21...(4) HG3 GLU 17 + QD1 LEU 3 OK 27 100 - 27 - 8099/2.1=5, ~12026=3...(12) HG2 GLN 72 + QD1 LEU 3 OK 15 96 - 16 - 8099/2.1=3, 3217/4.7=3...(5) HG3 GLN 50 + QD1 LEU 3 OK 11 100 - 11 - 8099/2.1=2, 3217/4.7=1 HG3 GLU 48 + QD1 LEU 3 OK 11 100 - 11 - 8099/2.1=2, 7612/10084=1...(4) HB2 ASP 11 - QD1 LEU 3 lone 3 100 - 3 - Peak 8096 from cnoeabs.peaks (2.20, 0.46, 24.71 ppm; 4.78 A): 1 out of 9 assignments used, quality = 0.99: HG2 MET 1 + QD1 LEU 3 OK 99 100 - 99 - 8018/2.1=45, 8017=39...(19) HG3 PRO 86 - QD1 LEU 3 OK 32 100 - 32 - ~10958=9, 9891/3.9=7...(10) HB2 GLU 95 - QD1 LEU 3 OK 25 96 - 26 - 4.6/8076=8, 4.0/139=6...(6) HG2 GLU 35 - QD1 LEU 3 OK 21 100 - 21 - 8117/2.1=3, 19/8013=2...(9) HG3 GLU 35 - QD1 LEU 3 OK 21 100 - 21 - 8117/2.1=3, 19/8013=2...(9) HG2 GLU 98 - QD1 LEU 3 OK 13 61 - 22 - 4.9/10084=17...(3) HB2 GLU 63 - QD1 LEU 3 lone 7 100 - 7 - 8117/2.1=1 HG2 GLU 43 - QD1 LEU 3 lone 5 96 - 6 - 8117/2.1=1 HB3 GLU 75 - QD1 LEU 3 lone 4 97 - 4 - Peak 8097 from cnoeabs.peaks (1.97, 0.46, 24.71 ppm; 4.56 A): 1 out of 10 assignments used, quality = 0.96: QE MET 1 + QD1 LEU 3 OK 96 99 - 97 - 8026/2.1=43, 8025=38...(17) HB2 GLU 37 - QD1 LEU 3 OK 13 98 - 14 - 3.0/8094=3, ~8091=2, 1588/8094=1 HB2 ARG 46 - QD1 LEU 3 OK 12 100 - 12 - ~8115=2, 21/8013=1...(4) HB2 LYS 47 - QD1 LEU 3 OK 11 100 - 11 - 21/8013=2, 35/8021=2...(4) HB2 LYS 73 - QD1 LEU 3 poor 10 81 - 12 - 4.1/132=6, 21/8013=1 HB3 ARG 46 - QD1 LEU 3 lone 8 87 - 9 - ~8115=2, ~8101=1 HB3 LYS 73 - QD1 LEU 3 lone 7 77 - 9 - 4.1/132=6 HB3 MET 74 - QD1 LEU 3 lone 6 94 - 7 - 3348/8013=2 HB2 LYS 24 - QD1 LEU 3 lone 5 94 - 6 - HB3 LYS 24 - QD1 LEU 3 lone 5 94 - 6 - Peak 8098 from cnoeabs.peaks (2.82, 0.26, 24.15 ppm; 4.19 A): 3 out of 3 assignments used, quality = 0.90: HE2 LYS 53 + QD2 LEU 3 OK 67 81 - 83 - 3.0/9192=21, 5.0/9186=19...(21) HE3 LYS 53 + QD2 LEU 3 OK 58 70 - 83 - 3.0/9192=21, 1.8/9198=19...(21) HE2 LYS 90 + QD2 LEU 3 OK 30 99 - 30 - 3994/2.1=5, 4.8/8115=5...(11) Peak 8099 from cnoeabs.peaks (2.43, 0.26, 24.15 ppm; 4.14 A): 2 out of 7 assignments used, quality = 0.93: HG3 MET 1 + QD2 LEU 3 OK 91 94 - 96 - 1.8/8018=38, 8022=36...(20) HG3 GLU 99 + QD2 LEU 3 OK 23 90 - 26 - 4.7/10086=14, 8095/2.1=6 HG3 GLU 17 - QD2 LEU 3 OK 21 100 - 22 - 8095/2.1=4, ~12026=3...(8) HG2 GLN 72 - QD2 LEU 3 OK 13 100 - 13 - 8095/2.1=2, 3217/4.7=2...(5) HG3 GLN 50 - QD2 LEU 3 lone 8 99 - 8 - 8095/2.1=2 HG3 GLU 48 - QD2 LEU 3 lone 8 100 - 8 - 8095/2.1=2 HB2 ASP 11 - QD2 LEU 3 lone 2 99 - 2 - Peak 8100 from cnoeabs.peaks (2.21, 0.26, 24.15 ppm; 4.14 A): 6 out of 8 assignments used, quality = 0.91: HG2 MET 1 + QD2 LEU 3 OK 80 84 - 96 - 8018=34, 1.8/8022=33...(19) HG2 GLU 99 + QD2 LEU 3 OK 22 92 - 24 - 4.7/10086=14, 1.8/8099=5 HG3 PRO 86 + QD2 LEU 3 OK 15 73 - 20 - ~10958=6, 9891/3.9=3...(6) HB2 GLU 95 + QD2 LEU 3 OK 12 97 - 12 - 4.0/131=5, 4285/5.0=2 HG3 GLU 35 + QD2 LEU 3 OK 10 77 - 13 - ~8096=2, ~8117=2...(5) HG2 GLU 35 + QD2 LEU 3 OK 10 77 - 13 - ~8096=2, ~8117=2...(5) HG2 GLU 98 - QD2 LEU 3 lone 5 99 - 5 - 7623/10086=2 HB2 GLU 63 - QD2 LEU 3 lone 4 81 - 4 - Peak 8101 from cnoeabs.peaks (1.99, 0.26, 24.15 ppm; 4.00 A): 2 out of 9 assignments used, quality = 0.94: HB3 MET 1 + QD2 LEU 3 OK 81 90 - 91 - 3.0/8018=28, 3.0/8022=25...(17) QE MET 1 + QD2 LEU 3 OK 69 77 - 89 - 3.3/8018=26, 8026=25...(20) HB3 GLU 17 - QD2 LEU 3 OK 15 77 - 20 - 3.0/8099=4, ~12026=3...(9) QE MET 74 - QD2 LEU 3 OK 14 92 - 15 - 9588/4.7=6...(3) HB2 GLU 44 - QD2 LEU 3 OK 11 94 - 11 - 3.0/8089=3, ~8092=2, 8116/2.1=1 HB3 GLU 44 - QD2 LEU 3 OK 11 94 - 11 - 3.0/8089=3, ~8092=2, 8116/2.1=1 HB2 GLU 35 - QD2 LEU 3 OK 10 73 - 14 - 2.9/8100=2, 2.9/8100=2...(7) HB2 ARG 46 - QD2 LEU 3 poor 10 70 - 14 - 10100/10108=2...(3) HB2 GLU 37 - QD2 LEU 3 poor 9 81 - 11 - 3.0/8091=2, ~8094=2, 8116/2.1=1 Peak 8102 from cnoeabs.peaks (5.33, 0.26, 24.15 ppm; 5.29 A): 2 out of 2 assignments used, quality = 0.91: HA ILE 52 + QD2 LEU 3 OK 81 97 - 84 - 3.6/9182=35, 9157=28...(13) HA THR 80 + QD2 LEU 3 OK 52 100 - 52 - 8104/2.1=12, 9157=10...(10) Peak 8103 from cnoeabs.peaks (5.34, 0.46, 24.71 ppm; 5.98 A): 2 out of 2 assignments used, quality = 0.90: HA ILE 52 + QD1 LEU 3 OK 81 100 - 81 - 9157/2.1=33, 3.6/9181=32...(13) HA THR 80 + QD1 LEU 3 OK 46 94 - 48 - 8102/2.1=15, 8104/2.1=13...(10) Peak 8104 from cnoeabs.peaks (5.33, 1.30, 27.70 ppm; 6.07 A): 2 out of 2 assignments used, quality = 0.89: HA ILE 52 + HG LEU 3 OK 77 97 - 79 - 9157/2.1=31, 8103/2.1=22...(13) HA THR 80 + HG LEU 3 OK 52 100 - 52 - 8102/2.1=18, 8105/3.7=12...(11) Peak 8105 from cnoeabs.peaks (5.33, 5.13, 53.57 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.75: HA ILE 52 + HA LEU 3 OK 58 87 - 66 - 8102/3.9=24, 3.6/9178=23...(7) HA THR 80 + HA LEU 3 OK 42 98 - 42 - 8102/3.9=16, 8104/3.7=15...(7) Peak 8106 from cnoeabs.peaks (1.72, 5.13, 53.57 ppm; 5.36 A): 5 out of 12 assignments used, quality = 0.84: HB2 LEU 2 + HA LEU 3 OK 66 77 - 85 - ~6018=30, ~51=19...(14) HB ILE 15 + HA LEU 3 OK 20 84 - 24 - ~10123=3, ~12276=3...(8) HD2 LYS 33 + HA LEU 3 OK 17 96 - 18 - 3.0/94=3, ~10522=3...(8) HD3 LYS 33 + HA LEU 3 OK 17 96 - 18 - 3.0/94=3, ~10522=3...(8) HB3 LEU 70 + HA LEU 3 OK 13 100 - 13 - ~10810=4, ~6022=2...(4) HG LEU 70 - HA LEU 3 lone 6 65 - 9 - ~6022=2, 6019/3.0=2, ~6019=1 HD2 ARG 81 - HA LEU 3 lone 5 94 - 6 - ~8108=1 HD3 LYS 13 - HA LEU 3 lone 5 81 - 6 - 6019/3.0=1, ~6019=1 HD2 LYS 13 - HA LEU 3 lone 4 73 - 6 - 6019/3.0=1, ~6019=1 HD2 LYS 12 - HA LEU 3 lone 4 73 - 6 - HD3 LYS 12 - HA LEU 3 lone 4 73 - 6 - HD3 LYS 66 - HA LEU 3 lone 4 77 - 5 - 6019/3.0=1 Peak 8107 from cnoeabs.peaks (0.75, 5.13, 53.57 ppm; 5.47 A): 5 out of 12 assignments used, quality = 0.96: QD1 LEU 27 + HA LEU 3 OK 67 77 - 87 - 2.1/10488=25...(17) QG2 ILE 93 + HA LEU 3 OK 52 100 - 52 - ~10999=11, 4138/3.6=9...(12) HG13 ILE 93 + HA LEU 3 OK 43 92 - 47 - ~10999=15, 4154/3.6=8...(9) QG1 VAL 54 + HA LEU 3 OK 34 96 - 35 - 8133/3.6=8, 10653/3.7=5...(8) HG13 ILE 15 + HA LEU 3 OK 34 100 - 34 - 12276/3.0=5, 2.9/8106=4...(10) QD1 ILE 15 - HA LEU 3 OK 32 98 - 33 - 8467/3.0=5, 12276/3.0=5...(10) QD1 ILE 93 - HA LEU 3 OK 28 73 - 38 - ~10999=14, 5.0/99=6...(7) QD2 LEU 42 - HA LEU 3 OK 27 84 - 32 - 3.1/96=8, ~112=5, ~104=5...(7) QD1 LEU 6 - HA LEU 3 OK 19 70 - 28 - 3.1/8220=5, 2.1/8224=5...(9) QG1 VAL 78 - HA LEU 3 OK 17 96 - 18 - 12276/3.0=3, ~9686=2...(6) HG3 ARG 81 - HA LEU 3 OK 11 81 - 13 - 8109/3.7=2, 10923/8105=1...(6) QD1 LEU 64 - HA LEU 3 poor 9 87 - 11 - 10756/8105=2...(3) Peak 8108 from cnoeabs.peaks (0.73, 1.55, 44.04 ppm; 3.74 A): 4 out of 10 assignments used, quality = 0.92: QD2 LEU 27 + HB2 LEU 3 OK 84 100 - 84 - 10136/3.1=26, 10132=23...(22) HG13 ILE 93 + HB2 LEU 3 OK 23 77 - 30 - 1.8/10999=8, 8111/3.1=4...(11) QG1 VAL 5 + HB2 LEU 3 OK 22 100 - 22 - 4.0/8187=4, ~8191=4...(7) QG2 VAL 78 + HB2 LEU 3 OK 12 97 - 12 - 2.1/9686=2, 3.2/9689=2...(4) QG1 VAL 78 - HB2 LEU 3 poor 8 70 - 12 - 2.1/9686=2, 8111/3.1=2...(4) HG3 ARG 81 - HB2 LEU 3 lone 7 90 - 8 - 8111/3.1=1, 4.8/7337=1 QD1 LEU 64 - HB2 LEU 3 lone 5 84 - 6 - 8111/3.1=1 QD1 ILE 8 - HB2 LEU 3 lone 4 61 - 7 - ~8305=2, ~8303=2, ~8299=2 HG13 ILE 56 - HB2 LEU 3 lone 4 81 - 4 - ~9306=1 QG1 VAL 58 - HB2 LEU 3 lone 3 96 - 3 - Peak 8109 from cnoeabs.peaks (0.74, 1.30, 27.70 ppm; 4.42 A): 9 out of 10 assignments used, quality = 0.95: QD2 LEU 27 + HG LEU 3 OK 67 81 - 83 - 10136/2.1=28, ~10137=25...(16) QG2 ILE 93 + HG LEU 3 OK 40 97 - 41 - ~10999=7, 4.0/123=6...(13) HG13 ILE 93 + HG LEU 3 OK 39 100 - 39 - ~10999=10, 8110/2.1=6...(11) QG1 VAL 78 + HG LEU 3 OK 17 100 - 16 - 8110/2.1=3, 8111/2.1=2...(9) QG1 VAL 5 + HG LEU 3 OK 15 70 - 22 - ~8197=6, ~8191=4...(5) HG13 ILE 15 + HG LEU 3 OK 13 90 - 15 - ~8467=3, 12276/5.0=3...(5) HG3 ARG 81 + HG LEU 3 OK 11 99 - 11 - 8110/2.1=2, 8111/2.1=2...(4) QD1 ILE 15 + HG LEU 3 OK 11 73 - 14 - 8467/3.0=3, 12276/5.0=2...(5) QD1 LEU 64 + HG LEU 3 OK 10 100 - 10 - 10756/8104=2, 8110/2.1=2 QG1 VAL 54 - HG LEU 3 poor 9 65 - 13 - 12127/3.7=3, 10653=3...(4) Peak 8110 from cnoeabs.peaks (0.74, 0.26, 24.15 ppm; 3.99 A): 3 out of 10 assignments used, quality = 0.93: QD2 LEU 27 + QD2 LEU 3 OK 83 94 - 89 - 10136=44, 2.1/10135=24...(20) HG13 ILE 93 + QD2 LEU 3 OK 37 99 - 38 - ~10999=7, 8111/2.1=6...(12) QG2 ILE 93 + QD2 LEU 3 OK 33 87 - 38 - ~10999=5, 4.0/131=5...(13) QG1 VAL 5 - QD2 LEU 3 OK 19 87 - 22 - ~8197=5, 8111/2.1=4...(6) QG1 VAL 78 - QD2 LEU 3 OK 16 97 - 16 - 8111/2.1=2, 8109/2.1=2...(7) HG3 ARG 81 - QD2 LEU 3 OK 13 100 - 13 - 8111/2.1=2, 10923/9157=2...(6) QD1 LEU 64 - QD2 LEU 3 lone 10 100 - 10 - 10756/8102=2, 8111/2.1=1 HG13 ILE 15 - QD2 LEU 3 poor 10 73 - 13 - ~8467=2, 12276/4.7=2...(5) QG2 VAL 78 - QD2 LEU 3 poor 9 70 - 13 - 8111/2.1=2, 8108/3.1=2...(5) QG1 VAL 58 - QD2 LEU 3 lone 2 65 - 3 - Peak 8111 from cnoeabs.peaks (0.73, 0.46, 24.71 ppm; 3.36 A): 4 out of 10 assignments used, quality = 0.87: QD2 LEU 27 + QD1 LEU 3 OK 76 99 - 76 - 10136/2.1=26...(19) HG13 ILE 93 + QD1 LEU 3 OK 25 92 - 27 - ~10999=5, 8110/2.1=4...(11) QG1 VAL 5 + QD1 LEU 3 OK 17 97 - 18 - 2.1/8197=4, 8108/3.1=3...(6) QG2 ILE 93 + QD1 LEU 3 OK 17 70 - 24 - 8110/2.1=4, ~10999=3...(11) QG1 VAL 78 - QD1 LEU 3 poor 9 87 - 11 - 8110/2.1=2...(4) QG2 VAL 78 - QD1 LEU 3 poor 9 87 - 10 - 8108/3.1=1...(3) HG3 ARG 81 - QD1 LEU 3 lone 8 98 - 9 - 8110/2.1=1, 10068/10066=1 QD1 LEU 64 - QD1 LEU 3 lone 6 96 - 6 - 8110/2.1=1, 10756/8103=1 QG1 VAL 58 - QD1 LEU 3 lone 2 84 - 3 - HG13 ILE 56 - QD1 LEU 3 lone 1 61 - 2 - Peak 8112 from cnoeabs.peaks (1.47, 0.46, 24.71 ppm; 4.68 A): 7 out of 13 assignments used, quality = 1.00: HG2 LYS 53 + QD1 LEU 3 OK 93 100 - 93 - ~9186=25, ~9192=24...(28) HG3 LYS 53 + QD1 LEU 3 OK 92 100 - 92 - ~9186=25, ~9192=24...(26) HD2 LYS 53 + QD1 LEU 3 OK 87 98 - 89 - 9192/2.1=42, 1.8/134=14...(26) HB2 LEU 27 + QD1 LEU 3 OK 87 96 - 91 - 3.1/10137=34...(18) HD2 LYS 82 + QD1 LEU 3 OK 69 98 - 70 - ~3708=8, 1.8/134=8...(24) HD3 LYS 40 + QD1 LEU 3 OK 60 100 - 60 - 3.0/135=8, ~127=5...(25) HD2 LYS 40 + QD1 LEU 3 OK 60 100 - 60 - 3.0/135=8, ~127=5...(26) HG13 ILE 52 - QD1 LEU 3 OK 34 96 - 36 - 3.8/8103=13, ~8118=6...(10) HG2 LYS 20 - QD1 LEU 3 OK 20 96 - 20 - 9191/2.1=3, 3.0/8012=2...(7) HG LEU 38 - QD1 LEU 3 lone 9 98 - 9 - 3.7/12051=1 HB2 LEU 38 - QD1 LEU 3 lone 9 92 - 9 - 3.0/12051=1 HG3 ARG 91 - QD1 LEU 3 lone 7 84 - 8 - 4061/10085=1 HG LEU 64 - QD1 LEU 3 lone 6 77 - 8 - 2.1/8111=2, ~8110=1, ~8109=1 Peak 8113 from cnoeabs.peaks (1.47, 0.26, 24.15 ppm; 3.40 A): 5 out of 13 assignments used, quality = 1.00: HG2 LYS 53 + QD2 LEU 3 OK 80 100 - 80 - 3.0/9186=21, 3.0/9192=14...(26) HG3 LYS 53 + QD2 LEU 3 OK 80 100 - 80 - 3.0/9186=21, 3.0/9192=14...(27) HD2 LYS 53 + QD2 LEU 3 OK 78 98 - 80 - 9192=19, 3.6/9186=18...(28) HB2 LEU 27 + QD2 LEU 3 OK 63 96 - 66 - 3.1/10136=22...(16) HD2 LYS 82 + QD2 LEU 3 OK 46 98 - 47 - 1.8/126=6, 2.9/127=5...(22) HD2 LYS 40 - QD2 LEU 3 OK 38 100 - 38 - 3.0/127=5, 3.5/8114=4...(20) HD3 LYS 40 - QD2 LEU 3 OK 38 100 - 38 - 3.0/127=5, 3.5/8114=4...(21) HG13 ILE 52 - QD2 LEU 3 OK 22 96 - 23 - 3.8/9157=7, 3.0/8114=4...(6) HG2 LYS 20 - QD2 LEU 3 OK 13 96 - 14 - 9191=2, 1.8/8114=2 HG LEU 38 - QD2 LEU 3 lone 6 98 - 6 - HB2 LEU 38 - QD2 LEU 3 lone 5 92 - 5 - HG3 ARG 91 - QD2 LEU 3 lone 4 84 - 5 - HG LEU 64 - QD2 LEU 3 lone 3 77 - 4 - 2.1/8110=1 Peak 8114 from cnoeabs.peaks (1.68, 0.26, 24.15 ppm; 3.39 A): 6 out of 17 assignments used, quality = 0.94: HB3 LYS 53 + QD2 LEU 3 OK 77 99 - 78 - 1.8/9186=28, 3.9/9182=14...(23) HB3 LYS 40 + QD2 LEU 3 OK 38 100 - 38 - 1799/3.1=6, 2.9/127=5...(15) HB ILE 52 + QD2 LEU 3 OK 31 92 - 34 - 4.5/9182=12, 3.0/9157=8...(8) HD3 LYS 90 + QD2 LEU 3 OK 20 73 - 27 - 3.6/8115=4, 2.9/128=4...(13) HG2 PRO 86 + QD2 LEU 3 OK 12 87 - 13 - ~10958=4, 1.8/8100=2...(4) HG3 LYS 20 + QD2 LEU 3 OK 10 98 - 10 - 1.8/9191=2 HD2 LYS 20 - QD2 LEU 3 lone 8 100 - 8 - 2.8/9191=2 HD3 LYS 20 - QD2 LEU 3 lone 8 98 - 8 - 2.8/9191=2 HG12 ILE 15 - QD2 LEU 3 lone 6 84 - 7 - ~8467=1, 1.8/8110=1 HB3 ARG 91 - QD2 LEU 3 lone 6 100 - 6 - HD2 LYS 73 - QD2 LEU 3 lone 3 84 - 4 - 6.4/124=2 HD3 LYS 73 - QD2 LEU 3 lone 3 77 - 4 - 6.4/124=2 HD3 LYS 47 - QD2 LEU 3 lone 2 100 - 2 - HD2 LYS 47 - QD2 LEU 3 lone 2 100 - 2 - HD2 LYS 24 - QD2 LEU 3 lone 2 77 - 2 - HD3 LYS 24 - QD2 LEU 3 lone 1 73 - 2 - HG LEU 70 - QD2 LEU 3 lone 1 65 - 2 - Peak 8115 from cnoeabs.peaks (1.83, 0.26, 24.15 ppm; 3.80 A): 3 out of 5 assignments used, quality = 0.91: HB2 LYS 53 + QD2 LEU 3 OK 86 97 - 88 - 9186=43, 3.9/9182=18...(23) HB3 LYS 90 + QD2 LEU 3 OK 31 100 - 31 - 2.8/128=5, 3939/2.1=4...(12) HG2 ARG 46 + QD2 LEU 3 OK 10 94 - 11 - 3.0/8101=1, 2439/9192=1 HB2 LYS 68 - QD2 LEU 3 lone 8 99 - 8 - 6875/9182=1 HB3 LEU 57 - QD2 LEU 3 lone 6 92 - 7 - 9344/3.9=2, ~10213=2 Peak 8116 from cnoeabs.peaks (1.99, 1.30, 27.70 ppm; 5.03 A): 2 out of 9 assignments used, quality = 0.96: QE MET 1 + HG LEU 3 OK 83 87 - 96 - 8026/2.1=36, 8025/2.1=31...(16) HB3 MET 1 + HG LEU 3 OK 78 81 - 97 - ~8022=28, ~8018=28...(16) QE MET 74 - HG LEU 3 OK 16 84 - 19 - 9588/5.0=8, 8101/2.1=3 HB3 GLU 17 - HG LEU 3 OK 14 65 - 22 - 3.0/10363=4, ~8099=3...(8) HB2 GLU 37 - HG LEU 3 OK 13 90 - 14 - ~8094=3, ~8091=2...(6) HB3 GLU 44 - HG LEU 3 OK 12 87 - 14 - ~8089=3, ~8092=2...(4) HB2 GLU 44 - HG LEU 3 OK 12 87 - 14 - ~8089=3, ~8092=2...(4) HB2 GLU 35 - HG LEU 3 OK 11 61 - 17 - 2.9/8117=3, 2.9/8117=3...(5) HB2 ARG 46 - HG LEU 3 poor 10 81 - 12 - ~8115=2, 8101/2.1=2...(5) Peak 8117 from cnoeabs.peaks (2.19, 1.30, 27.70 ppm; 5.04 A): 1 out of 10 assignments used, quality = 0.97: HG2 MET 1 + HG LEU 3 OK 97 98 - 99 - 8018/2.1=45, 8017/2.1=39...(20) HG3 PRO 86 - HG LEU 3 OK 30 100 - 31 - ~10958=10, 9891/3.7=9...(6) HG3 GLU 35 - HG LEU 3 OK 17 99 - 17 - 8096/2.1=4, ~8096=3...(7) HG2 GLU 35 - HG LEU 3 OK 17 99 - 17 - 8096/2.1=4, ~8096=3...(7) HB2 GLU 95 - HG LEU 3 OK 13 87 - 15 - 4.0/123=6, 8096/2.1=4 HG2 GLU 43 - HG LEU 3 lone 8 99 - 8 - 5.0/6688=4 HB2 GLU 63 - HG LEU 3 lone 6 99 - 6 - 8096/2.1=1 HB3 GLN 50 - HG LEU 3 lone 4 65 - 7 - 2.9/10363=1, ~8095=1, ~8099=1 HB3 GLU 75 - HG LEU 3 lone 4 100 - 4 - HG3 GLU 75 - HG LEU 3 lone 1 65 - 2 - Peak 8118 from cnoeabs.peaks (1.66, 1.30, 27.70 ppm; 4.54 A): 3 out of 15 assignments used, quality = 0.71: HB ILE 52 + HG LEU 3 OK 45 92 - 49 - ~9157=12, 3.0/8104=12...(9) HB2 LYS 40 + HG LEU 3 OK 42 81 - 52 - 2.9/119=7, ~1799=6...(19) HG3 LYS 20 + HG LEU 3 OK 11 81 - 13 - ~9191=2, 1.8/11033=1...(4) HB3 LEU 6 - HG LEU 3 poor 9 87 - 10 - 4.3/8079=5, 8222/3.7=2 HD3 LYS 20 - HG LEU 3 lone 8 81 - 9 - ~9191=2, ~8114=1, 2.8/11033=1 HD3 LYS 73 - HG LEU 3 lone 7 99 - 7 - 6.4/116=3, 3293/5.0=1 HB3 ARG 79 - HG LEU 3 lone 7 98 - 7 - HD2 LYS 20 - HG LEU 3 lone 6 70 - 9 - ~9191=2, ~8114=1, 2.8/11033=1 HD2 LYS 73 - HG LEU 3 lone 6 97 - 6 - 6.4/116=3, 3293/5.0=1 HB ILE 76 - HG LEU 3 lone 6 73 - 8 - 2.1/10883=4, 10884=1 HD2 LYS 39 - HG LEU 3 lone 5 98 - 5 - 4.9/1679=2 HD2 LYS 68 - HG LEU 3 lone 5 96 - 5 - ~8115=1 HD3 LYS 68 - HG LEU 3 lone 4 94 - 5 - ~8115=1 HD3 LYS 39 - HG LEU 3 lone 3 61 - 5 - 4.9/1679=2 HG2 LYS 68 - HG LEU 3 lone 3 65 - 4 - ~8115=1 Peak 8123 from cnoeabs.peaks (7.81, 5.14, 56.58 ppm; 4.33 A): 3 out of 7 assignments used, quality = 0.70: H GLU 28 + HA TYR 4 OK 56 92 - 61 - 8650/3.6=15, 4.0/8656=14...(13) H SER 9 + HA TYR 4 OK 22 100 - 22 - 8339=6, 8163/3.6=5...(5) H LYS 66 + HA TYR 4 OK 12 98 - 12 - 8163/3.6=4, 4.0/8136=1 H LYS 20 - HA TYR 4 poor 8 73 - 11 - 8163/3.6=3, 4.6/146=1 H GLU 99 - HA TYR 4 lone 8 81 - 9 - 4.9/143=2, 7607/3.0=1 HE ARG 30 - HA TYR 4 lone 4 61 - 7 - 8163/3.6=2 H TYR 41 - HA TYR 4 lone 4 77 - 5 - Peak 8126 from cnoeabs.peaks (8.36, 6.45, 118.10 ppm; 5.78 A): 2 out of 6 assignments used, quality = 0.98: H TYR 4 + HE2 TYR 4 OK 87 99 - 88 - 7.4=47, 6040/5.4=27...(14) H TYR 4 + HE1 TYR 4 OK 87 99 - 88 - 7.6=44, 6040/5.4=27...(14) H ILE 93 - HE1 TYR 4 OK 28 98 - 29 - 147/5.4=6, 154/5.4=6...(7) H ILE 93 - HE2 TYR 4 OK 28 98 - 29 - 147/5.4=6, 154/5.4=6...(7) H GLU 95 - HE1 TYR 4 OK 21 99 - 21 - 147/5.4=4, 154/5.4=4...(5) H GLU 95 - HE2 TYR 4 OK 20 99 - 21 - 147/5.4=4, 154/5.4=4...(5) Peak 8127 from cnoeabs.peaks (6.13, 2.46, 43.84 ppm; 5.53 A): 1 out of 1 assignment used, quality = 0.71: HZ PHE 45 + HB3 TYR 4 OK 71 98 - 73 - 14695=28, 14691/1.8=21...(7) Peak 8128 from cnoeabs.peaks (5.15, 6.45, 118.10 ppm; 5.20 A): 4 out of 10 assignments used, quality = 0.99: HA TYR 4 + HE1 TYR 4 OK 84 98 - 85 - 6.3=55, 3.0/8129=17...(14) HA TYR 4 + HE2 TYR 4 OK 83 98 - 84 - 6.4=53, 3.0/8129=17...(14) HA VAL 54 + HE1 TYR 4 OK 50 81 - 62 - 10204/5.4=11, 10648=11...(15) HA VAL 54 + HE2 TYR 4 OK 50 81 - 62 - 10648=12, 10204/5.4=11...(15) HA LEU 3 - HE1 TYR 4 OK 25 63 - 39 - 3.6/8126=9, 3.0/8059=7...(10) HA LEU 3 - HE2 TYR 4 OK 25 63 - 39 - 3.6/8126=9, 3.0/8059=7...(10) HA ILE 7 - HE1 TYR 4 OK 17 74 - 23 - 155/5.4=3, 148/5.4=2...(10) HA ILE 7 - HE2 TYR 4 OK 17 74 - 23 - 155/5.4=3, 148/5.4=2...(10) HA SER 85 - HE2 TYR 4 lone 8 89 - 8 - 148/5.4=1, 155/5.4=1 HA SER 85 - HE1 TYR 4 lone 7 89 - 8 - 148/5.4=1, 155/5.4=1 Peak 8129 from cnoeabs.peaks (2.45, 6.45, 118.10 ppm; 5.15 A): 2 out of 4 assignments used, quality = 0.98: HB3 TYR 4 + HE1 TYR 4 OK 88 96 - 91 - 5.4=84, 1.8/8130=13...(9) HB3 TYR 4 + HE2 TYR 4 OK 87 96 - 91 - 5.4=84, 1.8/8130=13...(9) HG3 GLU 99 - HE1 TYR 4 lone 3 78 - 4 - HG3 GLU 99 - HE2 TYR 4 lone 3 77 - 4 - Peak 8130 from cnoeabs.peaks (2.29, 6.45, 118.10 ppm; 5.15 A): 2 out of 12 assignments used, quality = 0.99: HB2 TYR 4 + HE1 TYR 4 OK 91 98 - 93 - 5.4=85, 1.8/8129=20...(10) HB2 TYR 4 + HE2 TYR 4 OK 91 98 - 93 - 5.4=85, 1.8/8129=20...(10) HB2 GLU 48 - HE1 TYR 4 OK 22 89 - 25 - ~14572=3, 14502/2.5=3...(10) HB2 GLU 48 - HE2 TYR 4 OK 22 89 - 25 - ~14572=3, 14502/2.5=3...(10) HG2 GLU 63 - HE1 TYR 4 OK 12 95 - 12 - 156/5.4=2, 142/6.3=2...(6) HG2 GLU 63 - HE2 TYR 4 OK 12 95 - 12 - 156/5.4=2, 142/6.4=2...(6) HG3 GLU 16 - HE1 TYR 4 lone 9 89 - 10 - 14502/2.5=1, 156/5.4=1 HG3 GLU 16 - HE2 TYR 4 lone 9 89 - 10 - 14502/2.5=1, 156/5.4=1 HG2 GLU 95 - HE1 TYR 4 lone 3 67 - 4 - 4.8/8126=2 HG2 GLU 95 - HE2 TYR 4 lone 3 67 - 4 - 4.8/8126=2 HG2 GLU 23 - HE1 TYR 4 lone 1 63 - 2 - HG2 GLU 23 - HE2 TYR 4 lone 1 63 - 2 - Peak 8131 from cnoeabs.peaks (2.06, 6.45, 118.20 ppm; 5.19 A): 4 out of 24 assignments used, quality = 0.97: HG2 GLU 28 + HE2 TYR 4 OK 57 99 - 58 - 3.0/8653=10, ~8652=8...(14) HG3 GLU 28 + HE2 TYR 4 OK 57 99 - 58 - 3.0/8653=10, ~8652=8...(14) HG2 GLU 28 + HE1 TYR 4 OK 57 97 - 59 - 3.0/8653=10, ~8652=8...(14) HG3 GLU 28 + HE1 TYR 4 OK 57 97 - 59 - 3.0/8653=10, ~8652=8...(14) HB3 GLU 48 - HE2 TYR 4 OK 16 90 - 18 - 1.8/8130=3, 14572/2.5=2...(7) HB3 GLU 48 - HE1 TYR 4 OK 15 87 - 18 - 1.8/8130=3, 14572/2.5=2...(7) HB2 GLU 98 - HE2 TYR 4 lone 7 81 - 9 - ~14572=2, 14572/2.5=1, ~5503=1 HB2 GLU 98 - HE1 TYR 4 lone 7 78 - 9 - ~14572=2, 14572/2.5=1, ~5503=1 HB3 GLU 98 - HE2 TYR 4 lone 7 77 - 9 - ~14572=2, 14572/2.5=1, ~5503=1 HB3 GLU 98 - HE1 TYR 4 lone 7 74 - 9 - ~14572=2, 14572/2.5=1, ~5503=1 HB3 LEU 38 - HE2 TYR 4 lone 6 81 - 7 - HB3 LEU 38 - HE1 TYR 4 lone 6 78 - 7 - HB2 GLU 99 - HE2 TYR 4 lone 5 77 - 7 - ~14572=1 HB2 GLU 99 - HE1 TYR 4 lone 5 74 - 7 - ~14572=1 HB2 GLU 16 - HE2 TYR 4 lone 4 70 - 6 - 3.0/8130=1 HB2 MET 21 - HE2 TYR 4 lone 4 96 - 4 - HB2 MET 21 - HE1 TYR 4 lone 4 93 - 4 - HB2 GLU 16 - HE1 TYR 4 lone 4 67 - 6 - 3.0/8130=1 HB3 GLU 43 - HE2 TYR 4 lone 4 98 - 4 - 10608/8041=1 HB3 GLU 43 - HE1 TYR 4 lone 4 96 - 4 - 10608/8041=1 HB2 MET 74 - HE2 TYR 4 lone 3 99 - 3 - HB2 MET 74 - HE1 TYR 4 lone 3 98 - 3 - HB3 GLU 88 - HE2 TYR 4 lone 1 61 - 2 - HB3 GLU 88 - HE1 TYR 4 lone 1 59 - 2 - Peak 8132 from cnoeabs.peaks (2.06, 6.43, 132.25 ppm; 6.15 A): 4 out of 22 assignments used, quality = 0.99: HG2 GLU 28 + HD1 TYR 4 OK 74 100 - 74 - 3.0/8652=15...(17) HG3 GLU 28 + HD1 TYR 4 OK 74 100 - 74 - 3.0/8652=15...(17) HG2 GLU 28 + HD2 TYR 4 OK 73 100 - 73 - 3.0/8652=15...(17) HG3 GLU 28 + HD2 TYR 4 OK 73 100 - 73 - 3.0/8652=15...(17) HB3 GLU 48 - HD1 TYR 4 OK 14 73 - 19 - 1.8/5502=4, ~8130=3...(6) HB3 GLU 48 - HD2 TYR 4 OK 14 73 - 19 - 1.8/5502=4, ~8130=3...(6) HB3 LEU 38 - HD1 TYR 4 OK 11 94 - 12 - 3.1/14599=2, 3.0/9146=1...(4) HB3 LEU 38 - HD2 TYR 4 OK 11 94 - 11 - 3.1/14599=2, 3.0/9146=1 HB2 GLU 16 - HD1 TYR 4 lone 7 87 - 8 - 3.0/5502=2, ~8130=1 HB2 GLU 16 - HD2 TYR 4 lone 7 87 - 8 - 3.0/5502=2, ~8130=1 HB2 GLU 98 - HD2 TYR 4 lone 6 61 - 9 - 3.0/5503=2, 4.6/14582=2 HB2 GLU 98 - HD1 TYR 4 lone 6 61 - 9 - 3.0/5503=2, 4.6/14582=2 HB3 GLU 43 - HD1 TYR 4 lone 5 100 - 5 - HB3 GLU 43 - HD2 TYR 4 lone 5 100 - 5 - HB2 MET 21 - HD1 TYR 4 lone 5 84 - 5 - HB2 MET 21 - HD2 TYR 4 lone 5 84 - 5 - HB2 MET 74 - HD1 TYR 4 lone 4 100 - 4 - HB2 MET 74 - HD2 TYR 4 lone 4 100 - 4 - HB3 GLU 88 - HD1 TYR 4 lone 3 81 - 3 - HB3 GLU 88 - HD2 TYR 4 lone 3 81 - 3 - HB3 GLU 35 - HD1 TYR 4 lone 3 70 - 4 - HB3 GLU 35 - HD2 TYR 4 lone 3 70 - 4 - Peak 8135 from cnoeabs.peaks (1.55, 5.14, 56.58 ppm; 4.11 A): 3 out of 9 assignments used, quality = 0.90: HB2 LEU 3 + HA TYR 4 OK 76 98 - 78 - ~6037=14, 4.4/6039=13...(21) HB3 GLU 28 + HA TYR 4 OK 41 73 - 57 - 1.8/8656=20, 8657=13...(11) HD3 LYS 53 + HA TYR 4 OK 30 99 - 31 - 3.6/8136=8, 3.6/9203=6...(7) HG2 LYS 33 - HA TYR 4 lone 9 100 - 8 - 6034/3.0=2, 8187/3.6=2...(4) HG12 ILE 56 - HA TYR 4 poor 8 73 - 10 - 2584/3.6=5, 8143/3.0=1 HD3 LYS 82 - HA TYR 4 poor 7 61 - 12 - 6034/3.0=3, 8187/3.6=2, ~6035=2 HG3 ARG 79 - HA TYR 4 lone 6 87 - 7 - HG3 ARG 30 - HA TYR 4 lone 6 70 - 9 - ~6036=4 HG2 ARG 79 - HA TYR 4 lone 6 84 - 7 - Peak 8136 from cnoeabs.peaks (1.85, 5.14, 56.58 ppm; 5.00 A): 2 out of 8 assignments used, quality = 0.75: HB2 LYS 53 + HA TYR 4 OK 55 96 - 58 - ~9209=20, 1.8/9203=12...(11) HB VAL 5 + HA TYR 4 OK 45 87 - 52 - 3.9/146=34, 2.1/8140=20 HB3 LYS 90 - HA TYR 4 poor 10 77 - 13 - ~3922=3, ~6036=3, 3.6/10366=2 HB3 LYS 39 - HA TYR 4 poor 9 84 - 11 - 6053/3.6=3, 3.0/8139=2, ~10574=2 HB3 LYS 66 - HA TYR 4 lone 9 87 - 10 - 4.0/8123=3, 6053/3.6=3 HB2 LYS 12 - HA TYR 4 lone 7 77 - 9 - 6053/3.6=3, 3.0/8139=1 HB3 LYS 12 - HA TYR 4 lone 5 70 - 8 - 6053/3.6=3, 3.0/8139=1 HB2 LYS 68 - HA TYR 4 lone 5 90 - 6 - Peak 8139 from cnoeabs.peaks (1.44, 5.14, 56.58 ppm; 5.04 A): 7 out of 15 assignments used, quality = 0.87: HG LEU 29 + HA TYR 4 OK 42 99 - 43 - 2.1/8142=10, 8186/3.6=9...(9) HB2 LEU 27 + HA TYR 4 OK 27 70 - 39 - 4.4/8123=15, 3.1/10487=7...(8) HG12 ILE 7 + HA TYR 4 OK 26 73 - 35 - 8246/3.6=7, 1.8/266=5...(9) HD2 LYS 53 + HA TYR 4 OK 24 61 - 39 - 3.6/8136=12, 3.6/9203=9...(8) HG13 ILE 52 + HA TYR 4 OK 22 70 - 32 - 3.2/9162=10, 9146/4.2=4...(11) HG3 LYS 39 + HA TYR 4 OK 16 100 - 16 - 8186/3.6=3, 10574/3.0=3...(6) QB ALA 22 + HA TYR 4 OK 14 99 - 14 - 8186/3.6=4, 8580/8142=1 HG2 LYS 12 - HA TYR 4 lone 9 99 - 9 - 8186/3.6=2, 3.0/8136=2 HG13 ILE 76 - HA TYR 4 lone 8 99 - 8 - ~9631=2, 8186/3.6=2 HD2 LYS 82 - HA TYR 4 poor 8 61 - 12 - ~6034=3, ~6035=3...(4) HG2 LYS 20 - HA TYR 4 lone 5 70 - 8 - 4.9/8123=2 HG2 LYS 13 - HA TYR 4 lone 4 92 - 5 - 8186/3.6=2 HG3 ARG 91 - HA TYR 4 lone 3 87 - 4 - HB2 LEU 38 - HA TYR 4 lone 3 77 - 4 - HG LEU 38 - HA TYR 4 lone 3 61 - 5 - Peak 8140 from cnoeabs.peaks (0.95, 5.14, 56.58 ppm; 4.41 A): 3 out of 4 assignments used, quality = 0.65: QG2 VAL 5 + HA TYR 4 OK 43 98 - 44 - 4.0/146=28, 2.1/8136=9...(7) HG LEU 55 + HA TYR 4 OK 26 87 - 29 - 2.1/9259=11, 6055/3.6=8...(5) HB2 ARG 81 + HA TYR 4 OK 18 57 - 31 - 3.4/10366=7, 6055/3.6=5...(12) QG2 VAL 83 - HA TYR 4 lone 7 90 - 8 - 6055/3.6=3, 4.0/9834=2 Peak 8141 from cnoeabs.peaks (0.75, 5.14, 56.58 ppm; 4.49 A): 4 out of 10 assignments used, quality = 0.94: QG1 VAL 54 + HA TYR 4 OK 76 84 - 91 - 9245/3.0=21, 9246/3.0=18...(23) QG2 ILE 93 + HA TYR 4 OK 42 100 - 42 - 4138/3.0=8, 4.0/140=6...(15) HG13 ILE 93 + HA TYR 4 OK 39 99 - 39 - 4154/3.0=7, 4.6/140=5...(13) HG3 ARG 81 + HA TYR 4 OK 32 94 - 35 - 3.0/10366=8, 2.9/8140=6...(13) QD2 LEU 27 - HA TYR 4 OK 21 61 - 34 - 4.7/8123=11, 2.1/10487=6...(10) HG13 ILE 15 - HA TYR 4 OK 16 98 - 16 - 2.9/10366=3, 8147/3.0=2...(7) QD1 ILE 15 - HA TYR 4 OK 15 90 - 16 - 3.2/10366=3, 8147/3.0=2...(4) QD2 LEU 42 - HA TYR 4 poor 8 65 - 12 - ~6036=3, ~8137=2...(5) QG1 VAL 78 - HA TYR 4 lone 7 100 - 7 - 10351/2488=1 QD1 LEU 64 - HA TYR 4 lone 4 97 - 4 - Peak 8142 from cnoeabs.peaks (0.65, 5.14, 56.58 ppm; 5.46 A): 3 out of 3 assignments used, quality = 0.99: QG2 VAL 54 + HA TYR 4 OK 98 100 - 98 - 9238/3.0=31, 9239/3.0=30...(24) QD1 LEU 29 + HA TYR 4 OK 57 100 - 57 - 8183/3.6=15, 8134/3.0=12...(15) QD2 LEU 29 + HA TYR 4 OK 45 94 - 48 - 8693/3.6=12, ~8134=9...(9) Peak 8143 from cnoeabs.peaks (1.54, 2.29, 43.84 ppm; 5.44 A): 5 out of 11 assignments used, quality = 0.91: HG LEU 6 + HB2 TYR 4 OK 48 87 - 55 - 2.1/8230=18, 8146/1.8=7...(18) HB2 LEU 3 + HB2 TYR 4 OK 47 73 - 64 - 4.4/6040=30, 8135/3.0=15...(9) HB2 LEU 14 + HB2 TYR 4 OK 39 77 - 51 - ~8428=23, ~8148=8...(13) HB ILE 7 + HB2 TYR 4 OK 32 77 - 41 - 8146/1.8=6, 8242/4.6=5...(15) HG12 ILE 56 + HB2 TYR 4 OK 24 98 - 25 - 2584/4.6=12, 8146/1.8=3...(6) HG3 ARG 79 - HB2 TYR 4 OK 15 100 - 15 - 8146/1.8=2, ~8146=1...(7) HG3 ARG 30 - HB2 TYR 4 OK 14 97 - 15 - 8146/1.8=2, 14574/3.7=1...(8) HG2 ARG 79 - HB2 TYR 4 OK 14 100 - 14 - 8146/1.8=2, ~8146=2...(6) HD3 LYS 53 - HB2 TYR 4 OK 14 77 - 18 - 6034/3.8=6, 8135/3.0=6...(4) HG2 LYS 33 - HB2 TYR 4 lone 8 90 - 9 - 8135/3.0=2, 6034/3.8=2, ~10366=1 HB3 LEU 103 - HB2 TYR 4 lone 4 81 - 5 - Peak 8144 from cnoeabs.peaks (0.76, 2.29, 43.84 ppm; 4.02 A): 3 out of 12 assignments used, quality = 0.93: QG1 VAL 54 + HB2 TYR 4 OK 87 100 - 88 - 9245/1.8=28, 2.1/9239=25...(19) QD1 LEU 6 + HB2 TYR 4 OK 33 87 - 38 - 2.1/8230=12, 8147/1.8=4...(14) QG2 ILE 93 + HB2 TYR 4 OK 21 96 - 22 - 4138/3.8=5, 4.0/147=4...(8) QD1 ILE 93 - HB2 TYR 4 OK 19 90 - 21 - 4162/3.8=4, 11005/4.6=4...(6) QD1 LEU 27 - HB2 TYR 4 OK 18 92 - 20 - 8133/3.8=4, 10487/3.0=4...(6) HG13 ILE 93 - HB2 TYR 4 OK 14 77 - 19 - 4.6/147=4, 8141/3.0=3...(6) HG3 ARG 81 - HB2 TYR 4 OK 14 61 - 22 - ~10366=3, 8147/1.8=3...(8) QD1 ILE 15 - HB2 TYR 4 OK 11 100 - 11 - 8147/1.8=2, 8141/3.0=1...(5) HG13 ILE 15 - HB2 TYR 4 OK 10 99 - 10 - 8147/1.8=2, 8141/3.0=1...(4) QD2 LEU 42 - HB2 TYR 4 OK 10 96 - 11 - 2497/9239=1, 8133/3.8=1 QG1 VAL 78 - HB2 TYR 4 lone 4 84 - 5 - 2497/9239=1 QD1 LEU 64 - HB2 TYR 4 lone 2 70 - 3 - 4.5/7033=1 Peak 8145 from cnoeabs.peaks (0.67, 2.29, 43.84 ppm; 3.99 A): 4 out of 4 assignments used, quality = 0.88: QG2 VAL 54 + HB2 TYR 4 OK 75 87 - 87 - 9239=25, ~9245=20...(19) QD1 LEU 29 + HB2 TYR 4 OK 24 84 - 29 - 8183/4.6=6, 8134/3.8=6...(8) QD1 LEU 14 + HB2 TYR 4 OK 21 90 - 24 - 8148/1.8=9, ~8146=3...(7) QG2 VAL 58 + HB2 TYR 4 OK 17 94 - 18 - 8148/1.8=4, 2.1/10718=3...(5) Peak 8146 from cnoeabs.peaks (1.53, 2.46, 43.84 ppm; 5.63 A): 3 out of 10 assignments used, quality = 0.94: HB2 LEU 14 + HB3 TYR 4 OK 70 99 - 71 - 3.0/8428=31, 3.8/8418=30...(16) HG LEU 6 + HB3 TYR 4 OK 60 100 - 60 - ~8230=15, 8231/1.8=9...(19) HB ILE 7 + HB3 TYR 4 OK 49 99 - 50 - 8242/4.6=8, ~250=5...(18) HG12 ILE 56 - HB3 TYR 4 OK 29 99 - 29 - 2584/4.6=13, 8143/1.8=3...(7) HG LEU 2 - HB3 TYR 4 OK 26 87 - 29 - 10358/3.7=8, 10358/3.7=7...(7) HG3 ARG 30 - HB3 TYR 4 OK 18 100 - 18 - 12097/8127=2, 8143/1.8=2...(7) HG3 ARG 79 - HB3 TYR 4 OK 14 96 - 15 - 8143/1.8=2, ~8143=2...(5) HG2 ARG 79 - HB3 TYR 4 OK 14 97 - 14 - 8143/1.8=2, ~8143=2...(4) HB3 LEU 103 - HB3 TYR 4 lone 6 99 - 6 - HG3 LYS 24 - HB3 TYR 4 lone 3 61 - 4 - Peak 8147 from cnoeabs.peaks (0.75, 2.46, 43.84 ppm; 4.01 A): 4 out of 12 assignments used, quality = 0.92: QG1 VAL 54 + HB3 TYR 4 OK 83 96 - 87 - 9245=28, 9246/1.8=24...(18) QD1 LEU 6 + HB3 TYR 4 OK 24 70 - 34 - ~8230=8, 8144/1.8=5...(12) QG2 ILE 93 + HB3 TYR 4 OK 22 100 - 22 - 4138/3.8=5, 4.0/154=4...(8) HG3 ARG 81 + HB3 TYR 4 OK 18 81 - 23 - 3.0/156=3, ~10366=3...(10) HG13 ILE 93 - HB3 TYR 4 OK 18 92 - 20 - 4154/3.8=4, 8141/3.0=4...(6) QD1 LEU 27 - HB3 TYR 4 OK 14 77 - 18 - ~10488=3, 8133/3.8=3...(6) QD1 ILE 93 - HB3 TYR 4 OK 13 73 - 18 - 5.0/154=3, 4162/3.8=3...(6) QD1 ILE 15 - HB3 TYR 4 OK 12 98 - 12 - 8437/8418=2, 8144/1.8=2...(5) HG13 ILE 15 - HB3 TYR 4 lone 10 100 - 10 - 8144/1.8=2, 8141/3.0=2...(4) QD2 LEU 42 - HB3 TYR 4 lone 7 84 - 9 - 8144/1.8=2, 8133/3.8=1 QG1 VAL 78 - HB3 TYR 4 lone 4 96 - 4 - QD1 LEU 64 - HB3 TYR 4 lone 2 87 - 2 - Peak 8148 from cnoeabs.peaks (0.67, 2.46, 43.84 ppm; 4.08 A): 4 out of 4 assignments used, quality = 0.91: QG2 VAL 54 + HB3 TYR 4 OK 77 87 - 88 - 2.1/9245=28, 8145/1.8=21...(22) QD1 LEU 14 + HB3 TYR 4 OK 38 90 - 43 - 4.0/8428=14, 4.8/8418=14...(9) QD1 LEU 29 + HB3 TYR 4 OK 25 84 - 30 - 8145/1.8=7, 8183/4.6=7...(9) QG2 VAL 58 + HB3 TYR 4 OK 17 94 - 18 - 8145/1.8=5, 9391/3.8=2...(8) Peak 8149 from cnoeabs.peaks (1.71, 6.43, 132.25 ppm; 5.88 A): 2 out of 32 assignments used, quality = 0.98: HB2 LEU 2 + HD1 TYR 4 OK 86 99 - 87 - 1.8/14575=14, ~14594=13...(25) HB2 LEU 2 + HD2 TYR 4 OK 86 99 - 87 - 1.8/14575=14, ~8155=13...(25) HG12 ILE 15 - HD2 TYR 4 poor 9 84 - 11 - 8138/5.4=1, 1.8/14576=1...(4) HG12 ILE 15 - HD1 TYR 4 poor 9 84 - 11 - 1.8/14576=1, 8138/5.6=1...(4) HB3 LEU 70 - HD1 TYR 4 lone 7 94 - 7 - HB3 LEU 70 - HD2 TYR 4 lone 7 94 - 7 - HG LEU 70 - HD2 TYR 4 lone 7 96 - 7 - HG LEU 70 - HD1 TYR 4 lone 7 96 - 7 - HD2 LYS 12 - HD2 TYR 4 lone 6 98 - 6 - HD3 LYS 12 - HD2 TYR 4 lone 6 98 - 6 - HD2 LYS 12 - HD1 TYR 4 lone 6 98 - 6 - HD3 LYS 12 - HD1 TYR 4 lone 6 98 - 6 - HD3 LYS 66 - HD2 TYR 4 lone 6 99 - 6 - 6.1/14582=1 HD3 LYS 66 - HD1 TYR 4 lone 6 99 - 6 - 6.1/14582=1 HD2 ARG 81 - HD1 TYR 4 lone 6 61 - 9 - 10366/4.2=2, 1.8/5502=2...(5) HD2 ARG 81 - HD2 TYR 4 lone 6 61 - 9 - 10366/4.3=2, 1.8/5502=2...(5) HD3 LYS 90 - HD2 TYR 4 lone 6 92 - 6 - 8138/5.4=2 HD3 LYS 90 - HD1 TYR 4 lone 6 92 - 6 - 8138/5.6=2 HD3 LYS 13 - HD1 TYR 4 lone 6 99 - 6 - HD3 LYS 13 - HD2 TYR 4 lone 6 99 - 6 - HD3 LYS 24 - HD2 TYR 4 lone 5 92 - 6 - HD3 LYS 24 - HD1 TYR 4 lone 5 92 - 6 - HD2 LYS 13 - HD1 TYR 4 lone 5 98 - 6 - HD2 LYS 13 - HD2 TYR 4 lone 5 98 - 6 - HD2 LYS 24 - HD1 TYR 4 lone 5 90 - 6 - HD2 LYS 24 - HD2 TYR 4 lone 5 90 - 6 - HG2 PRO 86 - HD2 TYR 4 lone 5 81 - 6 - HG2 PRO 86 - HD1 TYR 4 lone 5 81 - 6 - HD2 LYS 33 - HD1 TYR 4 lone 2 65 - 3 - HD3 LYS 33 - HD1 TYR 4 lone 2 65 - 3 - HD2 LYS 33 - HD2 TYR 4 lone 2 65 - 3 - HD3 LYS 33 - HD2 TYR 4 lone 2 65 - 3 - Peak 8150 from cnoeabs.peaks (1.53, 6.43, 132.25 ppm; 6.42 A): 4 out of 20 assignments used, quality = 0.99: HG LEU 2 + HD1 TYR 4 OK 77 87 - 89 - 2.1/14599=16...(21) HG LEU 2 + HD2 TYR 4 OK 77 87 - 88 - 2.1/14599=16...(21) HG LEU 6 + HD2 TYR 4 OK 61 100 - 61 - ~8209=14, 8231/3.7=9...(12) HG LEU 6 + HD1 TYR 4 OK 61 100 - 61 - ~8209=14, 8231/3.7=9...(12) HB ILE 7 - HD1 TYR 4 OK 38 99 - 39 - 8146/3.7=7, 8143/3.7=4...(13) HB ILE 7 - HD2 TYR 4 OK 38 99 - 38 - 8146/3.7=7, 8143/3.7=4...(13) HG3 ARG 30 - HD1 TYR 4 OK 34 100 - 34 - 1.8/8702=14, ~8702=9...(7) HG3 ARG 30 - HD2 TYR 4 OK 33 100 - 34 - 1.8/8702=14, ~8702=8...(7) HB2 LEU 14 - HD1 TYR 4 OK 32 99 - 32 - 8146/3.7=9, 8143/3.7=5...(8) HB2 LEU 14 - HD2 TYR 4 OK 32 99 - 32 - 8146/3.7=9, 8143/3.7=5...(8) HG12 ILE 56 - HD1 TYR 4 OK 17 99 - 17 - 8146/3.7=4, 8143/3.7=3...(4) HG12 ILE 56 - HD2 TYR 4 OK 17 99 - 17 - 8146/3.7=4, 8143/3.7=3...(4) HB3 LEU 103 - HD1 TYR 4 OK 13 99 - 13 - 3.1/14599=2, 3.0/14579=2 HB3 LEU 103 - HD2 TYR 4 OK 13 99 - 13 - 3.1/14599=2, 3.0/14579=2 HG2 ARG 79 - HD1 TYR 4 OK 13 97 - 13 - 8146/3.7=2, 8143/3.7=2 HG2 ARG 79 - HD2 TYR 4 OK 13 97 - 13 - 8146/3.7=2, 8143/3.7=2 HG3 ARG 79 - HD1 TYR 4 OK 12 96 - 13 - 8146/3.7=2, 8143/3.7=2 HG3 ARG 79 - HD2 TYR 4 OK 12 96 - 13 - 8146/3.7=2, 8143/3.7=2 HG3 LYS 24 - HD1 TYR 4 lone 4 61 - 7 - HG3 LYS 24 - HD2 TYR 4 lone 4 61 - 7 - Peak 8151 from cnoeabs.peaks (0.77, 6.43, 132.25 ppm; 4.93 A): 6 out of 20 assignments used, quality = 1.00: QG2 ILE 52 + HD1 TYR 4 OK 74 94 - 79 - 9143=12, 3.1/9148=10...(24) QG2 ILE 52 + HD2 TYR 4 OK 73 94 - 78 - 9143=12, 3.1/9148=10...(24) QG1 VAL 54 + HD2 TYR 4 OK 70 96 - 74 - 9245/3.7=28, 9246/3.7=24...(12) QG1 VAL 54 + HD1 TYR 4 OK 70 96 - 73 - 9245/3.7=28, 9246/3.7=24...(12) QD1 LEU 6 + HD2 TYR 4 OK 48 100 - 48 - ~8209=10, 2.1/14577=7...(13) QD1 LEU 6 + HD1 TYR 4 OK 48 100 - 48 - ~8209=10, 2.1/14577=7...(13) QD1 LEU 27 - HD2 TYR 4 OK 26 100 - 27 - 10487/4.3=6, 8133/5.4=5...(9) QD1 LEU 27 - HD1 TYR 4 OK 26 100 - 26 - 10487/4.2=6, 8133/5.6=4...(9) QD1 ILE 93 - HD2 TYR 4 OK 20 100 - 20 - 4162/5.4=6, 2.1/14572=4...(7) QD1 ILE 93 - HD1 TYR 4 OK 20 100 - 20 - 4162/5.6=5, 2.1/14572=4...(7) QD2 LEU 42 - HD1 TYR 4 OK 18 100 - 18 - 3.1/14575=2, 2.1/14577=2...(8) QD2 LEU 42 - HD2 TYR 4 OK 18 100 - 18 - 3.1/14575=2, 2.1/14577=2...(8) QD1 ILE 15 - HD2 TYR 4 OK 11 92 - 12 - 8144/3.7=1, 8133/5.4=1 QD1 ILE 15 - HD1 TYR 4 OK 11 92 - 12 - 8144/3.7=1, 8133/5.6=1 QG2 ILE 93 - HD2 TYR 4 poor 10 61 - 16 - 3.2/14572=3, 8144/3.7=2...(6) QG2 ILE 93 - HD1 TYR 4 poor 10 61 - 16 - 3.2/14572=3, 8144/3.7=2...(6) HG13 ILE 15 - HD1 TYR 4 poor 9 77 - 11 - 8144/3.7=1, 1.8/14573=1 HG13 ILE 15 - HD2 TYR 4 poor 9 77 - 11 - 8144/3.7=1, 1.8/14573=1 QG2 ILE 8 - HD1 TYR 4 poor 8 70 - 12 - 4.1/14582=1, 9162/4.2=1 QG2 ILE 8 - HD2 TYR 4 poor 8 70 - 12 - 4.1/14582=1, 9162/4.3=1 Peak 8152 from cnoeabs.peaks (0.67, 6.43, 132.25 ppm; 5.04 A): 6 out of 12 assignments used, quality = 0.93: QG2 VAL 54 + HD2 TYR 4 OK 48 70 - 70 - 8145/3.7=20, 8148/3.7=18...(16) QG2 VAL 54 + HD1 TYR 4 OK 48 70 - 69 - 8145/3.7=20, 8148/3.7=18...(16) QD2 LEU 6 + HD1 TYR 4 OK 33 77 - 42 - 8209/2.5=9, 8230/3.7=8...(13) QD2 LEU 6 + HD2 TYR 4 OK 33 77 - 42 - 8209/2.5=9, 8230/3.7=8...(13) QD1 LEU 14 + HD1 TYR 4 OK 26 98 - 27 - 8148/3.7=9, 8145/3.7=6...(7) QD1 LEU 14 + HD2 TYR 4 OK 26 98 - 26 - 8148/3.7=9, 8145/3.7=6...(6) QD1 LEU 29 - HD2 TYR 4 OK 16 65 - 25 - 8145/3.7=6, 8148/3.7=6...(6) QD1 LEU 29 - HD1 TYR 4 OK 16 65 - 25 - 8145/3.7=6, 8148/3.7=6...(6) QG2 VAL 58 - HD2 TYR 4 OK 16 99 - 16 - 8145/3.7=5, 8148/3.7=4...(4) QG2 VAL 58 - HD1 TYR 4 OK 16 99 - 15 - 8145/3.7=5, 8148/3.7=4...(4) QD1 LEU 42 - HD1 TYR 4 poor 8 70 - 11 - 3.1/14575=2, 14597/2.5=1...(4) QD1 LEU 42 - HD2 TYR 4 poor 8 70 - 11 - 3.1/14575=2, 14597/2.5=1...(4) Peak 8153 from cnoeabs.peaks (1.70, 6.45, 118.10 ppm; 4.39 A): 4 out of 38 assignments used, quality = 0.93: HB2 LEU 2 + HE1 TYR 4 OK 69 97 - 71 - 8039=13, 1.8/8155=12...(20) HB2 LEU 2 + HE2 TYR 4 OK 68 97 - 71 - 8039=13, 1.8/8155=12...(20) HB3 LYS 53 + HE2 TYR 4 OK 18 86 - 21 - 3.9/9208=7, 9209/7.4=6...(5) HB3 LYS 53 + HE1 TYR 4 OK 17 87 - 20 - 9209/7.6=6, 3.9/9208=6...(5) HG12 ILE 15 - HE1 TYR 4 lone 7 98 - 7 - HG12 ILE 15 - HE2 TYR 4 lone 7 98 - 7 - HG LEU 70 - HE1 TYR 4 lone 4 99 - 4 - HG LEU 70 - HE2 TYR 4 lone 4 99 - 4 - HD3 LYS 12 - HE2 TYR 4 lone 4 98 - 4 - HD2 LYS 12 - HE2 TYR 4 lone 4 98 - 4 - HD3 LYS 12 - HE1 TYR 4 lone 4 98 - 4 - HD2 LYS 12 - HE1 TYR 4 lone 4 98 - 4 - HD3 LYS 66 - HE2 TYR 4 lone 4 97 - 4 - HD3 LYS 66 - HE1 TYR 4 lone 4 97 - 4 - HD3 LYS 24 - HE1 TYR 4 lone 3 99 - 3 - HD3 LYS 24 - HE2 TYR 4 lone 3 99 - 3 - HD2 LYS 24 - HE1 TYR 4 lone 3 99 - 3 - HD2 LYS 24 - HE2 TYR 4 lone 3 99 - 3 - HG2 PRO 86 - HE2 TYR 4 lone 3 98 - 3 - HG2 PRO 86 - HE1 TYR 4 lone 3 98 - 3 - HD3 LYS 90 - HE2 TYR 4 lone 3 99 - 3 - HD3 LYS 90 - HE1 TYR 4 lone 3 99 - 3 - HD2 LYS 13 - HE2 TYR 4 lone 3 98 - 3 - HD2 LYS 13 - HE1 TYR 4 lone 3 98 - 3 - HD3 LYS 13 - HE1 TYR 4 lone 3 96 - 3 - HD3 LYS 13 - HE2 TYR 4 lone 3 96 - 3 - HB3 LYS 40 - HE2 TYR 4 lone 3 81 - 3 - HB3 LYS 40 - HE1 TYR 4 lone 3 81 - 3 - HB3 LEU 70 - HE1 TYR 4 lone 2 59 - 4 - HB3 LEU 70 - HE2 TYR 4 lone 2 59 - 4 - HB3 ARG 91 - HE1 TYR 4 lone 2 78 - 3 - HB3 ARG 91 - HE2 TYR 4 lone 2 77 - 3 - HD2 LYS 20 - HE1 TYR 4 lone 1 59 - 2 - HD2 LYS 20 - HE2 TYR 4 lone 1 59 - 2 - HD3 LYS 47 - HE2 TYR 4 lone 1 74 - 1 - HD3 LYS 47 - HE1 TYR 4 lone 1 74 - 1 - HD2 LYS 47 - HE2 TYR 4 lone 1 70 - 1 - HD2 LYS 47 - HE1 TYR 4 lone 1 71 - 1 - Peak 8154 from cnoeabs.peaks (1.53, 6.45, 118.10 ppm; 4.91 A): 4 out of 20 assignments used, quality = 0.96: HG LEU 2 + HE1 TYR 4 OK 62 84 - 74 - 2.1/8157=13, 2.1/8041=12...(17) HG LEU 2 + HE2 TYR 4 OK 62 84 - 74 - 2.1/8157=13, 2.1/8041=12...(17) HG LEU 6 + HE2 TYR 4 OK 44 99 - 45 - 2.1/8209=14, ~8209=5...(12) HG LEU 6 + HE1 TYR 4 OK 44 99 - 44 - 2.1/8209=14, ~8209=5...(12) HB ILE 7 - HE1 TYR 4 OK 22 97 - 23 - 8146/5.4=3, 2.9/8157=3...(7) HB ILE 7 - HE2 TYR 4 OK 22 97 - 22 - 8146/5.4=3, 2.9/8157=2...(7) HG3 ARG 30 - HE1 TYR 4 OK 21 98 - 21 - ~8702=7, 1.8/8702=7...(5) HG3 ARG 30 - HE2 TYR 4 OK 21 98 - 21 - ~8702=7, 1.8/8702=6...(5) HB2 LEU 14 - HE1 TYR 4 OK 19 97 - 19 - 8146/5.4=4, 8143/5.4=2...(7) HB2 LEU 14 - HE2 TYR 4 OK 19 97 - 19 - 8146/5.4=4, 8143/5.4=2...(7) HG12 ILE 56 - HE1 TYR 4 lone 9 98 - 9 - 8146/5.4=2, 8143/5.4=1 HG12 ILE 56 - HE2 TYR 4 lone 9 98 - 9 - 8146/5.4=2, 8143/5.4=1 HB3 LEU 103 - HE1 TYR 4 lone 7 98 - 7 - HB3 LEU 103 - HE2 TYR 4 lone 7 98 - 7 - HG2 ARG 79 - HE1 TYR 4 lone 7 95 - 7 - HG2 ARG 79 - HE2 TYR 4 lone 7 95 - 7 - HG3 ARG 79 - HE1 TYR 4 lone 6 93 - 7 - HG3 ARG 79 - HE2 TYR 4 lone 6 93 - 7 - HG3 LYS 24 - HE1 TYR 4 lone 2 59 - 4 - HG3 LYS 24 - HE2 TYR 4 lone 2 59 - 4 - Peak 8155 from cnoeabs.peaks (1.33, 6.45, 118.10 ppm; 4.80 A): 2 out of 16 assignments used, quality = 0.92: HB3 LEU 2 + HE1 TYR 4 OK 73 97 - 75 - 1.8/8039=12, 8040/2.5=11...(19) HB3 LEU 2 + HE2 TYR 4 OK 72 97 - 75 - 1.8/8039=12, 8040/2.5=11...(19) HB3 LEU 27 - HE1 TYR 4 poor 10 71 - 14 - 4.4/8649=7, 3.1/8158=1, ~14698=1 HB3 LEU 27 - HE2 TYR 4 poor 10 70 - 14 - 4.4/8649=7, 3.1/8158=1 HG2 LYS 94 - HE2 TYR 4 lone 6 86 - 7 - 4218/7.4=2, 4.9/8126=1 HG2 LYS 94 - HE1 TYR 4 lone 6 87 - 7 - 4218/7.6=2, 4.9/8126=1 QB ALA 89 - HE1 TYR 4 lone 4 87 - 4 - QB ALA 89 - HE2 TYR 4 lone 4 86 - 4 - QB ALA 67 - HE1 TYR 4 lone 3 91 - 4 - QB ALA 67 - HE2 TYR 4 lone 3 91 - 4 - QB ALA 25 - HE1 TYR 4 lone 3 87 - 4 - QB ALA 25 - HE2 TYR 4 lone 3 86 - 4 - HB2 LYS 82 - HE1 TYR 4 lone 3 74 - 4 - HB2 LYS 82 - HE2 TYR 4 lone 3 74 - 4 - HG2 LYS 39 - HE1 TYR 4 lone 3 67 - 4 - HG2 LYS 39 - HE2 TYR 4 lone 3 67 - 4 - Peak 8156 from cnoeabs.peaks (1.02, 6.45, 118.10 ppm; 5.72 A): 2 out of 6 assignments used, quality = 0.75: HG12 ILE 52 + HE1 TYR 4 OK 51 67 - 76 - 2.1/9148=12, 3.0/9142=12...(20) HG12 ILE 52 + HE2 TYR 4 OK 50 67 - 76 - 2.1/9148=12, 3.0/9142=12...(20) HB3 LEU 55 - HE1 TYR 4 lone 7 98 - 7 - 8051/8039=2, 8052/8155=1 HB3 LEU 55 - HE2 TYR 4 lone 7 98 - 7 - 8051/8039=1, 8052/8155=1 QG1 VAL 83 - HE1 TYR 4 lone 3 78 - 4 - QG1 VAL 83 - HE2 TYR 4 lone 3 77 - 4 - Peak 8157 from cnoeabs.peaks (0.89, 6.45, 118.10 ppm; 4.88 A): 2 out of 8 assignments used, quality = 0.94: QD1 LEU 2 + HE1 TYR 4 OK 75 98 - 77 - 8042=12, 2.1/8041=12...(19) QD1 LEU 2 + HE2 TYR 4 OK 75 98 - 77 - 2.1/8041=12, 8042=12...(19) HG13 ILE 7 - HE1 TYR 4 OK 16 95 - 17 - 266/6.3=3, 2.9/8154=2...(8) HG13 ILE 7 - HE2 TYR 4 OK 16 95 - 17 - 266/6.4=3, 2.9/8154=2...(8) QG2 ILE 76 - HE1 TYR 4 OK 10 98 - 10 - 11070/9224=1 QG2 ILE 76 - HE2 TYR 4 poor 10 98 - 10 - 11070/9224=1 HG13 ILE 8 - HE2 TYR 4 lone 9 99 - 9 - 10640/9148=1 HG13 ILE 8 - HE1 TYR 4 lone 9 99 - 9 - 10640/9148=1 Peak 8158 from cnoeabs.peaks (0.78, 6.45, 118.10 ppm; 3.97 A): 4 out of 18 assignments used, quality = 0.93: QG2 ILE 52 + HE1 TYR 4 OK 62 99 - 63 - 9143/2.5=11, 2.1/9142=8...(18) QG2 ILE 52 + HE2 TYR 4 OK 62 99 - 63 - 9143/2.5=11, 2.1/9142=8...(18) QD1 LEU 6 + HE2 TYR 4 OK 28 91 - 31 - 2.1/8209=11, ~8209=4...(10) QD1 LEU 6 + HE1 TYR 4 OK 28 91 - 31 - 2.1/8209=11, ~8209=4...(10) QG1 VAL 54 - HE2 TYR 4 OK 24 63 - 39 - 2.1/9224=8, 3.2/10648=6...(12) QG1 VAL 54 - HE1 TYR 4 OK 24 63 - 38 - 2.1/9224=8, 9245/5.4=6...(12) QD1 LEU 27 - HE1 TYR 4 OK 11 87 - 13 - 4.7/8649=4, 10487/6.3=2...(4) QD1 LEU 27 - HE2 TYR 4 OK 11 86 - 13 - 4.7/8649=4, 10487/6.4=2...(4) QD1 ILE 93 - HE2 TYR 4 lone 8 89 - 9 - ~14572=2, 4162/7.4=1, 5.0/8126=1 QD1 ILE 93 - HE1 TYR 4 lone 8 89 - 9 - ~14572=2, 4162/7.6=1, 5.0/8126=1 QD2 LEU 42 - HE1 TYR 4 lone 8 81 - 10 - 2.1/8159=1, 10599/9145=1 QD2 LEU 42 - HE2 TYR 4 lone 8 81 - 10 - 2.1/8159=1, 10599/9145=1 QG2 ILE 8 - HE1 TYR 4 lone 8 95 - 8 - QG2 ILE 8 - HE2 TYR 4 lone 8 95 - 8 - QG2 ILE 7 - HE1 TYR 4 lone 5 59 - 9 - 3.2/8157=2, 2.1/8154=1 QG2 ILE 7 - HE2 TYR 4 lone 5 59 - 9 - 3.2/8157=2, 2.1/8154=1 QD2 LEU 57 - HE1 TYR 4 lone 2 71 - 2 - QD2 LEU 57 - HE2 TYR 4 lone 2 70 - 2 - Peak 8159 from cnoeabs.peaks (0.68, 6.45, 118.10 ppm; 4.36 A): 6 out of 10 assignments used, quality = 0.94: QD1 ILE 52 + HE1 TYR 4 OK 50 81 - 61 - 2.1/9145=9, 9148=9...(17) QD1 ILE 52 + HE2 TYR 4 OK 49 81 - 61 - 2.1/9145=9, 9148=8...(16) QD2 LEU 6 + HE1 TYR 4 OK 45 97 - 46 - 8209=15, 8209/4.3=8...(11) QD2 LEU 6 + HE2 TYR 4 OK 45 97 - 46 - 8209=15, 8209/4.3=8...(11) QD1 LEU 14 + HE1 TYR 4 OK 15 98 - 15 - 8148/5.4=3, 8152/2.5=2...(6) QD1 LEU 14 + HE2 TYR 4 OK 14 98 - 15 - 8148/5.4=3, 8152/2.5=2...(6) QD1 LEU 42 - HE1 TYR 4 poor 10 95 - 10 - 14577/2.5=1, 2.1/14596=1 QD1 LEU 42 - HE2 TYR 4 poor 9 95 - 10 - 14577/2.5=1, 2.1/14596=1 QG2 VAL 58 - HE2 TYR 4 lone 8 96 - 8 - 10717/5.4=2, 9391/7.4=1...(4) QG2 VAL 58 - HE1 TYR 4 lone 8 96 - 8 - 10717/5.4=2, 9391/7.6=1...(4) Peak 8164 from cnoeabs.peaks (8.63, 5.11, 59.85 ppm; 3.90 A): 2 out of 2 assignments used, quality = 0.88: H LEU 55 + HA VAL 5 OK 86 96 - 90 - 9295=28, 12108/3.2=19...(15) H ASN 10 + HA VAL 5 OK 16 84 - 19 - 12108/3.2=4, 8199/3.6=4...(9) Peak 8165 from cnoeabs.peaks (9.10, 1.86, 33.82 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.89: H ARG 30 + HB VAL 5 OK 87 99 - 88 - 3.6/8173=38, 8714/2.1=26...(12) H VAL 83 + HB VAL 5 OK 20 84 - 23 - 8166/2.1=6, 8162/3.9=6...(9) Peak 8166 from cnoeabs.peaks (9.09, 0.73, 20.80 ppm; 6.01 A): 2 out of 4 assignments used, quality = 0.94: H ARG 30 + QG1 VAL 5 OK 91 100 - 91 - 3.6/8174=39, 8165/2.1=38...(10) H VAL 83 + QG1 VAL 5 OK 35 65 - 53 - 4.6/8167=28, 8165/2.1=9...(10) H ARG 30 - QG2 VAL 78 OK 19 66 - 29 - 6489/4.3=8, 3.6/8174=5...(8) H VAL 83 - QG2 VAL 78 OK 11 36 - 31 - 3.6/10901=15, 4.6/8167=7...(6) Peak 8167 from cnoeabs.peaks (9.22, 0.73, 20.80 ppm; 5.05 A): 0 out of 2 assignments used, low quality = 0.10: H THR 84 - QG1 VAL 5 OK 10 70 - 15 - 4.6/8166=5, 11107/4.1=3...(4) H THR 84 - QG2 VAL 78 lone 2 38 - 6 - 9697/4.3=2, 4.6/8166=1 Peak 8168 from cnoeabs.peaks (7.79, 0.95, 22.19 ppm; 5.17 A): 4 out of 5 assignments used, quality = 0.74: H GLU 28 + QG2 VAL 5 OK 58 92 - 64 - 8650/4.0=20, 4.4/8633=19...(8) H LYS 20 + QG2 VAL 5 OK 16 99 - 16 - 8528/10500=5, 6298/4.0=3...(4) HE ARG 30 + QG2 VAL 5 OK 16 100 - 16 - 7.4/8714=10, 8163/4.0=1 H LYS 66 + QG2 VAL 5 OK 13 81 - 16 - 8163/4.0=3, 9507/2.1=2...(6) H GLU 99 - QG2 VAL 5 lone 6 98 - 6 - 10084/8197=1 Peak 8169 from cnoeabs.peaks (7.04, 0.95, 22.19 ppm; 3.68 A): 2 out of 2 assignments used, quality = 0.73: HD1 PHE 96 + QG2 VAL 5 OK 49 100 - 49 - 2.5/8170=16, 3.7/8177=8...(10) HD2 PHE 96 + QG2 VAL 5 OK 48 99 - 48 - 2.5/8170=15, 4.9/8170=8...(10) Peak 8170 from cnoeabs.peaks (6.95, 0.95, 22.19 ppm; 3.79 A): 2 out of 2 assignments used, quality = 0.64: HE1 PHE 96 + QG2 VAL 5 OK 41 92 - 45 - 2.5/8169=17, 4.9/8169=9...(11) HE2 PHE 96 + QG2 VAL 5 OK 39 87 - 45 - 2.5/8169=17, 4.9/8169=9...(11) Peak 8171 from cnoeabs.peaks (7.03, 0.73, 20.80 ppm; 5.58 A): 4 out of 4 assignments used, quality = 0.90: HD1 PHE 96 + QG1 VAL 5 OK 64 100 - 64 - 8169/2.1=24, ~8170=20...(14) HD2 PHE 96 + QG1 VAL 5 OK 63 100 - 63 - 8169/2.1=24, ~8170=19...(14) HD1 PHE 96 + QG2 VAL 78 OK 12 65 - 18 - ~10330=3, 14671/2.1=1...(6) HD2 PHE 96 + QG2 VAL 78 OK 11 65 - 17 - ~10330=2, 14671/2.1=1...(5) Peak 8173 from cnoeabs.peaks (5.66, 1.86, 33.82 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.86: HA LEU 29 + HB VAL 5 OK 86 100 - 86 - 8174/2.1=24, 8175/2.1=24...(16) Peak 8174 from cnoeabs.peaks (5.67, 0.73, 20.80 ppm; 4.41 A): 2 out of 2 assignments used, quality = 0.89: HA LEU 29 + QG1 VAL 5 OK 87 97 - 90 - 8173/2.1=42, 8172/4.0=28...(16) HA LEU 29 + QG2 VAL 78 OK 11 60 - 18 - 8667=3, 8667/2.1=2...(9) Peak 8175 from cnoeabs.peaks (5.66, 0.95, 22.19 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.93: HA LEU 29 + QG2 VAL 5 OK 93 99 - 94 - 8173/2.1=42, 8172/4.0=33...(15) Peak 8176 from cnoeabs.peaks (3.54, 0.95, 22.19 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.55: HA ILE 93 + QG2 VAL 5 OK 55 98 - 56 - 3.2/10322=18...(13) Peak 8177 from cnoeabs.peaks (3.10, 0.95, 22.19 ppm; 5.70 A): 2 out of 2 assignments used, quality = 0.86: HB2 PHE 96 + QG2 VAL 5 OK 75 99 - 76 - 3.7/8169=23, 3.7/8169=23...(10) HB2 TRP 92 + QG2 VAL 5 OK 45 100 - 45 - 9986/2.1=9, ~10995=9...(13) Peak 8178 from cnoeabs.peaks (5.46, 0.73, 20.80 ppm; 5.06 A): 2 out of 2 assignments used, quality = 0.91: HA LEU 6 + QG1 VAL 5 OK 89 100 - 89 - 2.9/178=29, ~6059=25...(16) HA LEU 6 + QG2 VAL 78 OK 11 65 - 17 - 2.9/178=5, 3.0/8194=2...(6) Peak 8179 from cnoeabs.peaks (5.35, 0.73, 20.80 ppm; 5.46 A): 0 out of 4 assignments used, low quality = 0.43: HA THR 80 - QG1 VAL 5 OK 22 81 - 27 - 11120/4.0=4, 9713/8180=3...(9) HA THR 80 - QG2 VAL 78 OK 18 46 - 40 - ~10288=19, ~9715=6...(6) HA ILE 52 - QG1 VAL 5 OK 10 96 - 11 - 9713/8180=1, 11120/4.0=1 HA ILE 52 - QG2 VAL 78 poor 6 59 - 10 - 11126/4.3=4 Peak 8180 from cnoeabs.peaks (4.68, 0.73, 20.80 ppm; 4.83 A): 2 out of 2 assignments used, quality = 0.91: HA LEU 55 + QG1 VAL 5 OK 88 92 - 96 - 4.0/8195=33, ~8198=25...(22) HA LEU 55 + QG2 VAL 78 OK 20 55 - 36 - 11117/4.3=14, 3.0/8196=6...(8) Peak 8181 from cnoeabs.peaks (4.56, 0.73, 20.80 ppm; 4.77 A): 0 out of 2 assignments used, low quality = 0.41: HA ASP 77 - QG2 VAL 78 OK 33 51 - 66 - 7274/4.0=34...(7) HA ASP 77 - QG1 VAL 5 OK 11 87 - 13 - 3.6/7279=5, 3.0/10895=2...(4) Peak 8182 from cnoeabs.peaks (3.81, 0.73, 20.80 ppm; 4.11 A): 7 out of 10 assignments used, quality = 0.78: HA LYS 68 + QG1 VAL 5 OK 26 92 - 28 - 10368/2.1=4, 2.9/9531=4...(10) HA ALA 22 + QG1 VAL 5 OK 23 90 - 25 - 8576/2.1=7, 2.1/10192=5...(5) HA LYS 68 + QG2 VAL 78 OK 21 55 - 39 - 10904/2.1=13, 9687/2.1=5...(11) HA SER 97 + QG2 VAL 78 OK 18 65 - 28 - 10904/2.1=9, 9687/2.1=5...(8) HA SER 97 + QG1 VAL 5 OK 18 100 - 18 - 10068=3, 3.0/10079=2...(7) HA ARG 19 + QG1 VAL 5 OK 17 98 - 17 - 10368/2.1=3, 3.0/173=2...(6) HA ARG 19 + QG2 VAL 78 OK 13 62 - 21 - 10904/2.1=7, 9687/2.1=4...(5) HA ALA 22 - QG2 VAL 78 poor 8 53 - 16 - 10904/2.1=5, 9687/2.1=3...(5) HB3 SER 102 - QG1 VAL 5 lone 5 99 - 5 - 11090=2 HB3 SER 102 - QG2 VAL 78 lone 4 63 - 6 - 11090=2, 10904/2.1=2 Peak 8189 from cnoeabs.peaks (1.02, 5.11, 59.85 ppm; 4.08 A): 2 out of 3 assignments used, quality = 0.94: HB3 LEU 55 + HA VAL 5 OK 93 100 - 94 - 9249=31, 1.8/9250=23...(28) QG1 VAL 83 + HA VAL 5 OK 15 81 - 18 - 2.1/165=2, 2548/9261=2...(7) HG12 ILE 52 - HA VAL 5 poor 8 70 - 12 - 10371/3.6=4, 6908/8164=2...(5) Peak 8191 from cnoeabs.peaks (1.15, 1.86, 33.82 ppm; 4.30 A): 3 out of 5 assignments used, quality = 0.88: HB2 LEU 29 + HB VAL 5 OK 82 90 - 92 - 2.9/8173=36, ~8175=18...(20) HB3 LEU 3 + HB VAL 5 OK 27 100 - 27 - 8184/3.9=5, ~8197=4...(10) HG2 LYS 40 + HB VAL 5 OK 11 94 - 12 - 8184/3.9=2, 1265/8173=2 QG2 THR 31 - HB VAL 5 lone 9 96 - 9 - 8731/8192=2, 8742/8165=2...(4) HG3 LYS 82 - HB VAL 5 lone 6 90 - 7 - ~10194=1 Peak 8192 from cnoeabs.peaks (0.65, 1.86, 33.82 ppm; 3.69 A): 3 out of 3 assignments used, quality = 0.96: QD1 LEU 29 + HB VAL 5 OK 76 97 - 79 - 10500/2.1=25...(17) QD2 LEU 29 + HB VAL 5 OK 75 99 - 76 - 4.1/8173=20, ~10500=16...(17) QG2 VAL 54 + HB VAL 5 OK 39 96 - 41 - 12128/3.0=18, ~12127=12...(6) Peak 8193 from cnoeabs.peaks (0.64, 5.11, 59.85 ppm; 4.26 A): 3 out of 3 assignments used, quality = 0.96: QD2 LEU 29 + HA VAL 5 OK 75 100 - 75 - ~10500=16, 8192/3.0=13...(23) QD1 LEU 29 + HA VAL 5 OK 63 84 - 75 - 10500/3.2=20...(23) QG2 VAL 54 + HA VAL 5 OK 60 81 - 74 - 12128=32, 2.1/12127=32...(9) Peak 8194 from cnoeabs.peaks (1.17, 0.73, 20.80 ppm; 4.04 A): 3 out of 8 assignments used, quality = 0.89: HB2 LEU 29 + QG1 VAL 5 OK 68 81 - 84 - 2.9/8174=24, ~8173=19...(22) HB2 LEU 6 + QG1 VAL 5 OK 58 98 - 59 - 3.0/8178=19, 4.0/178=17...(9) QG2 THR 34 + QG1 VAL 5 OK 18 100 - 18 - 8768/4.1=9, 4.0/8751=4...(5) HB2 LEU 6 - QG2 VAL 78 poor 7 62 - 11 - 4.0/178=3, 3.0/8178=2...(4) HB2 LEU 29 - QG2 VAL 78 poor 6 46 - 13 - 2.9/8174=3, 4.3/8166=2...(5) HG2 LYS 40 - QG1 VAL 5 lone 5 73 - 6 - 8184/4.0=2 QG2 THR 34 - QG2 VAL 78 lone 4 65 - 6 - 4.0/8751=2, 8766/4.0=1 HG2 LYS 40 - QG2 VAL 78 lone 1 41 - 3 - Peak 8195 from cnoeabs.peaks (0.49, 0.73, 20.80 ppm; 3.48 A): 1 out of 2 assignments used, quality = 0.56: QD2 LEU 55 + QG1 VAL 5 OK 56 73 - 77 - ~8197=15, ~8198=12...(19) QD2 LEU 55 - QG2 VAL 78 poor 7 41 - 16 - ~10288=3, 3.1/8196=3...(7) Peak 8196 from cnoeabs.peaks (-0.63, 0.73, 20.80 ppm; 5.17 A): 1 out of 2 assignments used, quality = 0.99: HB2 LEU 55 + QG1 VAL 5 OK 99 100 - 99 - 8198/2.1=46, 3.1/8195=41...(23) HB2 LEU 55 - QG2 VAL 78 OK 23 65 - 35 - 3.0/8180=7, ~10288=6...(11) Peak 8197 from cnoeabs.peaks (0.45, 0.95, 22.19 ppm; 3.66 A): 2 out of 2 assignments used, quality = 0.70: QD1 LEU 55 + QG2 VAL 5 OK 65 77 - 84 - 3.1/8198=23, ~8195=19...(24) QD1 LEU 3 + QG2 VAL 5 OK 15 87 - 18 - 8111/2.1=3, ~8191=3...(9) Peak 8198 from cnoeabs.peaks (-0.64, 0.95, 22.19 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.91: HB2 LEU 55 + QG2 VAL 5 OK 91 98 - 93 - 3.1/8197=28, 9250/3.2=21...(27) Peak 8200 from cnoeabs.peaks (9.09, 5.47, 52.09 ppm; 4.17 A): 2 out of 2 assignments used, quality = 0.91: H ARG 30 + HA LEU 6 OK 90 100 - 90 - 8698=50, 8238/3.6=21...(15) H VAL 83 + HA LEU 6 OK 13 65 - 20 - 10232/4.0=6, 8238/3.6=4...(8) Peak 8201 from cnoeabs.peaks (8.93, 5.47, 52.09 ppm; 5.98 A): 2 out of 2 assignments used, quality = 0.99: H LEU 57 + HA LEU 6 OK 97 100 - 97 - 9333/2.9=48, 8237/3.6=36...(22) H VAL 5 + HA LEU 6 OK 84 87 - 96 - ~6059=37, 4.0/8178=33...(26) Peak 8202 from cnoeabs.peaks (8.93, 1.18, 44.10 ppm; 5.79 A): 2 out of 2 assignments used, quality = 0.99: H LEU 57 + HB2 LEU 6 OK 97 100 - 97 - 9333/4.0=41, 4.1/8235=40...(24) H VAL 5 + HB2 LEU 6 OK 76 87 - 87 - ~8222=27, 4.7/6064=21...(24) Peak 8203 from cnoeabs.peaks (8.93, 1.65, 44.10 ppm; 5.38 A): 2 out of 2 assignments used, quality = 0.98: H LEU 57 + HB3 LEU 6 OK 92 100 - 92 - 9333/4.0=37, 4.1/8236=37...(16) H VAL 5 + HB3 LEU 6 OK 70 87 - 81 - 3.0/8222=32, 6058/4.0=18...(16) Peak 8204 from cnoeabs.peaks (8.92, 0.69, 24.21 ppm; 5.35 A): 2 out of 2 assignments used, quality = 0.94: H LEU 57 + QD2 LEU 6 OK 78 99 - 79 - 9333/4.6=33, 8203/3.1=18...(16) H VAL 5 + QD2 LEU 6 OK 72 98 - 74 - 4.7/6067=19, ~8222=18...(13) Peak 8205 from cnoeabs.peaks (6.51, 1.52, 27.00 ppm; 4.83 A): 2 out of 4 assignments used, quality = 0.98: HE2 PHE 45 + HG LEU 6 OK 86 100 - 86 - ~8215=30, ~8214=26...(16) HE1 PHE 45 + HG LEU 6 OK 86 100 - 86 - ~8215=30, ~8214=26...(16) HE1 PHE 45 - HG2 ARG 79 lone 4 50 - 8 - 2.5/12097=1, ~12097=1 HE2 PHE 45 - HG2 ARG 79 lone 4 50 - 8 - 2.5/12097=1, ~12097=1 Peak 8207 from cnoeabs.peaks (6.83, 0.69, 24.21 ppm; 3.75 A): 2 out of 2 assignments used, quality = 0.74: HD1 TYR 41 + QD2 LEU 6 OK 50 100 - 50 - 3.7/8229=16, 8210/2.1=14...(14) HD2 TYR 41 + QD2 LEU 6 OK 49 98 - 50 - 3.7/8229=16, 8210/2.1=14...(13) Peak 8208 from cnoeabs.peaks (6.51, 0.69, 24.21 ppm; 3.94 A): 2 out of 2 assignments used, quality = 0.95: HE2 PHE 45 + QD2 LEU 6 OK 77 100 - 77 - 2.5/8215=34, 8212/2.1=18...(18) HE1 PHE 45 + QD2 LEU 6 OK 77 100 - 77 - 2.5/8215=34, 8212/2.1=18...(18) Peak 8209 from cnoeabs.peaks (6.45, 0.69, 24.21 ppm; 4.02 A): 4 out of 4 assignments used, quality = 0.70: HE2 TYR 4 + QD2 LEU 6 OK 33 99 - 33 - 8159=7, 5.4/8230=5...(11) HE1 TYR 4 + QD2 LEU 6 OK 32 97 - 33 - 8159=7, 5.4/8230=5...(11) HD1 TYR 4 + QD2 LEU 6 OK 19 61 - 30 - 3.7/8230=9, 2.5/8159=5...(10) HD2 TYR 4 + QD2 LEU 6 OK 19 61 - 30 - 3.7/8230=9, 2.5/8159=5...(10) Peak 8210 from cnoeabs.peaks (6.83, 0.77, 25.58 ppm; 4.16 A): 2 out of 2 assignments used, quality = 0.78: HD1 TYR 41 + QD1 LEU 6 OK 53 100 - 53 - 8207/2.1=20, 3.7/8227=17...(9) HD2 TYR 41 + QD1 LEU 6 OK 53 100 - 53 - 8207/2.1=20, 3.7/8227=17...(9) Peak 8211 from cnoeabs.peaks (6.66, 0.77, 25.58 ppm; 4.83 A): 2 out of 2 assignments used, quality = 0.94: HD2 PHE 45 + QD1 LEU 6 OK 76 99 - 77 - 4.3/8214=28, 2.5/8212=23...(12) HD1 PHE 45 + QD1 LEU 6 OK 76 99 - 77 - 4.3/8214=28, 2.5/8212=22...(12) Peak 8212 from cnoeabs.peaks (6.51, 0.77, 25.58 ppm; 3.83 A): 2 out of 2 assignments used, quality = 0.94: HE2 PHE 45 + QD1 LEU 6 OK 75 99 - 76 - 2.5/8214=25, ~8215=19...(17) HE1 PHE 45 + QD1 LEU 6 OK 74 98 - 76 - 2.5/8214=25, ~8215=19...(17) Peak 8213 from cnoeabs.peaks (6.41, 0.77, 25.58 ppm; 5.42 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8214 from cnoeabs.peaks (6.14, 0.77, 25.58 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.85: HZ PHE 45 + QD1 LEU 6 OK 85 99 - 85 - 8215/2.1=35, 2.5/8212=21...(18) Peak 8215 from cnoeabs.peaks (6.13, 0.69, 24.21 ppm; 3.82 A): 1 out of 1 assignment used, quality = 0.67: HZ PHE 45 + QD2 LEU 6 OK 67 97 - 69 - 8214/2.1=21, 2.5/8208=16...(21) Peak 8218 from cnoeabs.peaks (5.12, 5.47, 52.09 ppm; 4.73 A): 2 out of 4 assignments used, quality = 0.94: HA ILE 7 + HA LEU 6 OK 77 90 - 86 - 3.0/6072=48, 3.0/8256=28...(18) HA VAL 5 + HA LEU 6 OK 72 81 - 89 - 6059/2.9=38, 3.2/8178=26...(22) HA LEU 3 - HA LEU 6 OK 27 96 - 28 - 8064/3.6=9, 8220/3.0=4...(8) HA SER 85 - HA LEU 6 OK 16 73 - 22 - 8220/3.0=4, 6078/3.6=4...(6) Peak 8219 from cnoeabs.peaks (4.89, 5.47, 52.09 ppm; 4.47 A): 2 out of 2 assignments used, quality = 0.91: HA ILE 56 + HA LEU 6 OK 81 90 - 90 - 8216/2.9=26, 8251/3.6=19...(19) HA THR 31 + HA LEU 6 OK 51 100 - 51 - 8251/3.6=17, 8216/2.9=13...(7) Peak 8220 from cnoeabs.peaks (5.13, 1.18, 44.10 ppm; 4.47 A): 3 out of 5 assignments used, quality = 0.94: HA ILE 7 + HB2 LEU 6 OK 86 98 - 88 - 3.0/6073=22, ~6072=20...(28) HA VAL 5 + HB2 LEU 6 OK 45 61 - 73 - 6059/4.0=23, 8222/1.8=14...(14) HA LEU 3 + HB2 LEU 6 OK 26 100 - 26 - 8064/4.3=8, 8218/3.0=4...(8) HA TYR 4 - HB2 LEU 6 OK 25 65 - 38 - 3.6/8202=9, ~8230=6...(13) HA SER 85 - HB2 LEU 6 OK 25 90 - 27 - 9867/3.1=5, 8226/3.1=4...(8) Peak 8221 from cnoeabs.peaks (4.88, 1.18, 44.10 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.96: HA ILE 56 + HB2 LEU 6 OK 91 100 - 91 - 3.2/8235=33, 8223/1.8=26...(18) HA THR 31 + HB2 LEU 6 OK 54 96 - 56 - 8223/1.8=15, 8251/4.3=14...(13) Peak 8222 from cnoeabs.peaks (5.11, 1.65, 44.10 ppm; 5.17 A): 2 out of 2 assignments used, quality = 0.85: HA VAL 5 + HB3 LEU 6 OK 83 100 - 83 - 6059/4.0=44, ~8178=17...(16) HA LEU 3 + HB3 LEU 6 OK 13 61 - 21 - 6078/4.3=4, 8218/3.0=4...(8) Peak 8223 from cnoeabs.peaks (4.88, 1.65, 44.10 ppm; 4.45 A): 2 out of 2 assignments used, quality = 0.94: HA ILE 56 + HB3 LEU 6 OK 88 100 - 88 - 3.2/8236=33, 8221/1.8=23...(16) HA THR 31 + HB3 LEU 6 OK 50 96 - 52 - 8221/1.8=14, 8251/4.3=13...(11) Peak 8224 from cnoeabs.peaks (5.13, 1.52, 27.00 ppm; 4.88 A): 4 out of 10 assignments used, quality = 0.95: HA ILE 7 + HG LEU 6 OK 83 98 - 85 - 3.0/216=15, 8220/3.0=15...(22) HA VAL 5 + HG LEU 6 OK 41 61 - 67 - 3.6/209=21, 8222/3.0=14...(14) HA SER 85 + HG LEU 6 OK 31 90 - 34 - 9867/2.1=7, 8226/2.1=6...(9) HA TYR 4 + HG LEU 6 OK 30 65 - 45 - ~8230=9, 8226/2.1=7...(13) HA LEU 3 - HG LEU 6 OK 26 100 - 26 - 8226/2.1=5, 8220/3.0=5...(7) HA ILE 7 - HG2 ARG 79 poor 9 47 - 19 - 3.0/216=2, ~6074=2...(6) HA LEU 3 - HG2 ARG 79 poor 5 50 - 11 - HA VAL 5 - HG2 ARG 79 poor 4 25 - 17 - 3.6/209=4, 3.2/10196=2...(5) HA TYR 4 - HG2 ARG 79 poor 3 27 - 11 - 3.0/8146=1, ~8143=1...(4) HA SER 85 - HG2 ARG 79 lone 2 40 - 4 - Peak 8226 from cnoeabs.peaks (5.13, 0.77, 25.58 ppm; 5.26 A): 3 out of 4 assignments used, quality = 0.93: HA ILE 7 + QD1 LEU 6 OK 84 100 - 84 - 3.0/232=18, 8220/3.1=16...(20) HA TYR 4 + QD1 LEU 6 OK 39 84 - 46 - ~8230=10, 3.0/8228=6...(14) HA SER 85 + QD1 LEU 6 OK 33 98 - 34 - 9867/2.1=9, 8224/2.1=5...(8) HA LEU 3 - QD1 LEU 6 OK 27 100 - 27 - 8220/3.1=5, 8224/2.1=5...(9) Peak 8227 from cnoeabs.peaks (2.63, 0.77, 25.58 ppm; 4.40 A): 2 out of 4 assignments used, quality = 0.79: HB3 TYR 41 + QD1 LEU 6 OK 75 100 - 75 - 1.8/8228=19, 8876=17...(14) HG3 MET 74 + QD1 LEU 6 OK 17 87 - 20 - 9598=5, 9599/2.1=4...(5) HB3 ASP 77 - QD1 LEU 6 lone 8 100 - 8 - 8229/2.1=2, ~10893=1 HB3 ASP 65 - QD1 LEU 6 lone 6 98 - 6 - 8229/2.1=2 Peak 8228 from cnoeabs.peaks (2.31, 0.77, 25.58 ppm; 4.15 A): 4 out of 7 assignments used, quality = 0.88: HB2 TYR 41 + QD1 LEU 6 OK 75 98 - 76 - 1.8/8227=25, ~8229=19...(15) HB2 GLU 48 + QD1 LEU 6 OK 28 92 - 30 - 9040/2.1=6, 9039=6...(9) HB2 TYR 4 + QD1 LEU 6 OK 23 70 - 33 - 8230/2.1=7, 3.0/8226=4...(14) HG2 GLU 63 + QD1 LEU 6 OK 18 84 - 21 - 10425=6, 8230/2.1=4...(6) HG3 GLU 16 - QD1 LEU 6 lone 7 92 - 8 - 10425=2, 8230/2.1=2 HG3 GLU 43 - QD1 LEU 6 lone 7 81 - 9 - 5.0/6691=2, 1893/8227=1 HD3 ARG 81 - QD1 LEU 6 lone 5 100 - 5 - Peak 8229 from cnoeabs.peaks (2.65, 0.69, 24.21 ppm; 4.42 A): 1 out of 4 assignments used, quality = 0.67: HB3 TYR 41 + QD2 LEU 6 OK 67 87 - 77 - 3.7/8207=16, 3.7/8207=16...(17) HB3 ASP 65 - QD2 LEU 6 lone 7 94 - 7 - 4.0/9489=1, 8227/2.1=1 HB3 ASP 77 - QD2 LEU 6 lone 7 77 - 9 - 3.9/10897=2, 8227/2.1=2 HD3 ARG 91 - QD2 LEU 6 lone 3 87 - 3 - Peak 8230 from cnoeabs.peaks (2.29, 0.69, 24.21 ppm; 4.36 A): 4 out of 5 assignments used, quality = 0.81: HB2 TYR 4 + QD2 LEU 6 OK 50 100 - 50 - 4.6/8204=8, 5.4/8209=6...(15) HB2 GLU 48 + QD2 LEU 6 OK 39 99 - 40 - 9040=10, 9039/2.1=6...(12) HG2 GLU 63 + QD2 LEU 6 OK 29 100 - 29 - 10425/2.1=5, 10424=5...(7) HG3 GLU 16 + QD2 LEU 6 OK 12 99 - 12 - 10425/2.1=2, 10424=2, 8231/2.1=1 HD3 ARG 81 - QD2 LEU 6 lone 4 77 - 5 - Peak 8231 from cnoeabs.peaks (2.30, 1.52, 27.00 ppm; 5.86 A): 4 out of 12 assignments used, quality = 0.94: HB2 TYR 41 + HG LEU 6 OK 59 73 - 81 - ~8229=33, ~8227=29...(11) HB2 TYR 4 + HG LEU 6 OK 59 97 - 61 - 8230/2.1=18, 1.8/8146=9...(17) HB2 GLU 48 + HG LEU 6 OK 45 100 - 45 - 8230/2.1=14, 9039/2.1=9...(8) HG2 GLU 63 + HG LEU 6 OK 33 100 - 33 - 8230/2.1=11, 10425/2.1=7...(5) HD3 ARG 81 - HG2 ARG 79 OK 24 42 - 58 - ~9693=30, ~9696=15...(10) HG3 GLU 16 - HG LEU 6 OK 14 100 - 14 - 8230/2.1=4, 10425/2.1=3...(4) HD3 ARG 81 - HG LEU 6 lone 9 92 - 10 - 6.2/9739=2, 8230/2.1=1 HB2 TYR 4 - HG2 ARG 79 poor 8 46 - 18 - 8143/1.8=2, 1.8/8146=2...(7) HB2 GLU 48 - HG2 ARG 79 lone 3 50 - 5 - HG2 GLU 63 - HG2 ARG 79 lone 2 50 - 4 - HG3 GLU 16 - HG2 ARG 79 lone 2 50 - 4 - HB2 TYR 41 - HG2 ARG 79 lone 1 30 - 4 - Peak 8234 from cnoeabs.peaks (1.39, 5.47, 52.09 ppm; 4.72 A): 1 out of 3 assignments used, quality = 0.50: HB3 ARG 30 + HA LEU 6 OK 50 70 - 71 - 4.0/8698=33, 1.8/8696=27...(13) HB2 LEU 70 - HA LEU 6 poor 6 61 - 10 - 3.1/10230=2, 8233/2.9=1...(5) HG3 LYS 94 - HA LEU 6 lone 6 97 - 6 - 4226/8696=2, 6484/8698=2 Peak 8235 from cnoeabs.peaks (0.60, 1.18, 44.10 ppm; 4.30 A): 1 out of 1 assignment used, quality = 0.89: QG2 ILE 56 + HB2 LEU 6 OK 89 100 - 89 - 8236/1.8=40, 9308/3.0=22...(25) Peak 8236 from cnoeabs.peaks (0.60, 1.65, 44.10 ppm; 4.16 A): 1 out of 1 assignment used, quality = 0.87: QG2 ILE 56 + HB3 LEU 6 OK 87 100 - 88 - 8235/1.8=36, 10672=22...(23) Peak 8239 from cnoeabs.peaks (8.93, 5.13, 58.46 ppm; 3.87 A): 2 out of 2 assignments used, quality = 0.89: H LEU 57 + HA ILE 7 OK 81 100 - 81 - 9332=31, 3.9/8271=21...(16) H VAL 5 + HA ILE 7 OK 43 90 - 48 - 8245/3.0=9, 8292/3.6=8...(15) Peak 8242 from cnoeabs.peaks (8.92, 1.52, 41.02 ppm; 5.45 A): 3 out of 4 assignments used, quality = 0.99: H LEU 57 + HB ILE 7 OK 91 99 - 92 - 8239/3.0=29, 8245/2.1=27...(21) H VAL 5 + HB ILE 7 OK 74 98 - 75 - 8245/2.1=19, 8239/3.0=16...(18) H LEU 57 + HB2 LEU 14 OK 46 88 - 53 - 3.6/8254=12, 4.4/2565=6...(18) H VAL 5 - HB2 LEU 14 OK 33 87 - 38 - 4.6/8146=6, 8185/3.0=4...(15) Peak 8244 from cnoeabs.peaks (8.66, 0.80, 16.81 ppm; 5.29 A): 3 out of 3 assignments used, quality = 0.94: H ALA 18 + QG2 ILE 7 OK 87 100 - 87 - 2.9/8283=45, ~8278=28...(13) H ASN 10 + QG2 ILE 7 OK 38 70 - 54 - 4.6/8267=21, 4.6/8265=20...(7) H ASP 11 + QG2 ILE 7 OK 29 77 - 37 - 4.0/8267=10, 8247/3.2=8...(8) Peak 8245 from cnoeabs.peaks (8.92, 0.80, 16.81 ppm; 4.65 A): 2 out of 2 assignments used, quality = 0.95: H LEU 57 + QG2 ILE 7 OK 87 99 - 88 - 9332/3.0=25, 8292/4.4=18...(18) H VAL 5 + QG2 ILE 7 OK 61 98 - 62 - 8239/3.0=13, 8246/3.2=11...(17) Peak 8246 from cnoeabs.peaks (8.92, 1.42, 27.84 ppm; 4.98 A): 3 out of 3 assignments used, quality = 0.92: H LEU 57 + HG12 ILE 7 OK 74 92 - 80 - ~9350=24, 8245/3.2=20...(11) H VAL 5 + HG12 ILE 7 OK 62 100 - 62 - 8245/3.2=14...(14) H ARG 19 + HG12 ILE 7 OK 18 61 - 30 - 10377/2.1=10, 8250/1.8=8...(7) Peak 8247 from cnoeabs.peaks (8.68, 1.42, 27.84 ppm; 5.77 A): 1 out of 1 assignment used, quality = 0.48: H ASP 11 + HG12 ILE 7 OK 48 98 - 49 - 8397/2.9=14...(10) Peak 8248 from cnoeabs.peaks (7.81, 1.42, 27.84 ppm; 5.77 A): 4 out of 6 assignments used, quality = 0.93: H SER 9 + HG12 ILE 7 OK 80 100 - 80 - 4.6/264=21, 8249/1.8=18...(19) H TYR 41 + HG12 ILE 7 OK 46 87 - 53 - 8249/1.8=12...(10) H GLU 28 + HG12 ILE 7 OK 24 84 - 29 - 4.5/257=10, 6459/4.5=5...(8) H LYS 66 + HG12 ILE 7 OK 16 94 - 17 - 8249/1.8=3...(5) H LYS 20 - HG12 ILE 7 poor 9 61 - 14 - 4.6/8246=4, 3.6/787=2 H GLU 99 - HG12 ILE 7 lone 3 70 - 4 - Peak 8249 from cnoeabs.peaks (7.82, 0.89, 27.84 ppm; 6.03 A): 2 out of 4 assignments used, quality = 0.95: H SER 9 + HG13 ILE 7 OK 88 99 - 89 - 4.6/272=20, 8248/1.8=19...(22) H TYR 41 + HG13 ILE 7 OK 58 97 - 60 - 8248/1.8=11, 3.0/8257=11...(18) H GLU 28 - HG13 ILE 7 OK 19 65 - 29 - 4.5/265=9, 8248/1.8=6...(7) H LYS 66 - HG13 ILE 7 OK 17 81 - 21 - 8248/1.8=4, 6099/272=1...(6) Peak 8250 from cnoeabs.peaks (8.91, 0.89, 27.84 ppm; 5.95 A): 3 out of 3 assignments used, quality = 0.80: H VAL 5 + HG13 ILE 7 OK 56 92 - 61 - 8246/1.8=15...(12) H ARG 19 + HG13 ILE 7 OK 45 96 - 47 - 3.6/8281=16...(7) H ASP 77 + HG13 ILE 7 OK 20 61 - 32 - 4.4/3420=8, 4.6/7255=6...(10) Peak 8253 from cnoeabs.peaks (5.45, 1.52, 41.02 ppm; 5.00 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8254 from cnoeabs.peaks (4.88, 1.52, 41.02 ppm; 4.22 A): 3 out of 4 assignments used, quality = 0.95: HA THR 31 + HB ILE 7 OK 76 96 - 79 - 8255/2.1=22, ~8264=13...(15) HA ILE 56 + HB2 LEU 14 OK 59 91 - 65 - ~11079=13, 2557=7...(25) HA ILE 56 + HB ILE 7 OK 53 100 - 53 - 8251/4.0=15, 8255/2.1=14...(13) HA THR 31 - HB2 LEU 14 OK 18 83 - 22 - 3.2/8732=3, ~8734=3...(8) Peak 8255 from cnoeabs.peaks (4.89, 0.80, 16.81 ppm; 3.68 A): 2 out of 2 assignments used, quality = 0.78: HA THR 31 + QG2 ILE 7 OK 63 100 - 63 - 3.2/8730=16, 3.0/8264=16...(13) HA ILE 56 + QG2 ILE 7 OK 40 92 - 44 - 8251/4.0=12, 3.6/8245=11...(14) Peak 8256 from cnoeabs.peaks (5.46, 0.80, 16.81 ppm; 4.74 A): 1 out of 1 assignment used, quality = 0.64: HA LEU 6 + QG2 ILE 7 OK 64 92 - 69 - 6072/4.0=37, 8218/3.0=11...(17) Peak 8257 from cnoeabs.peaks (3.92, 0.89, 27.84 ppm; 5.14 A): 2 out of 5 assignments used, quality = 0.97: HB3 SER 9 + HG13 ILE 7 OK 94 99 - 95 - 8331/2.1=35, ~8325=27...(22) HA TYR 41 + HG13 ILE 7 OK 49 98 - 50 - 10374/1.8=10, 8259/2.1=9...(12) HA GLU 63 - HG13 ILE 7 OK 29 97 - 30 - 10745/3.2=7, 8259/2.1=6...(7) HB2 SER 85 - HG13 ILE 7 OK 15 65 - 22 - 3.0/266=5, ~258=4...(7) HA GLU 44 - HG13 ILE 7 poor 8 73 - 11 - 8265/3.2=2, 10374/1.8=2 Peak 8258 from cnoeabs.peaks (2.99, 0.89, 27.84 ppm; 5.30 A): 2 out of 6 assignments used, quality = 0.98: HB2 SER 9 + HG13 ILE 7 OK 96 100 - 96 - 8325/2.1=37, ~8331=29...(21) HB3 ASP 11 + HG13 ILE 7 OK 51 100 - 51 - 10375/1.8=12...(11) HB2 PHE 45 - HG13 ILE 7 OK 28 94 - 30 - 1.8/12099=5, 8262/2.1=5...(8) HE2 LYS 12 - HG13 ILE 7 OK 15 77 - 20 - 8262/2.1=4, 10375/1.8=3...(7) HE3 LYS 47 - HG13 ILE 7 lone 3 65 - 4 - HE2 LYS 47 - HG13 ILE 7 lone 3 65 - 4 - Peak 8259 from cnoeabs.peaks (3.92, 0.62, 13.69 ppm; 4.78 A): 2 out of 5 assignments used, quality = 0.95: HB3 SER 9 + QD1 ILE 7 OK 92 99 - 94 - 8331=39, 1.8/8325=32...(22) HA TYR 41 + QD1 ILE 7 OK 39 98 - 40 - 8257/2.1=9, 8265/3.0=8...(9) HA GLU 63 - QD1 ILE 7 OK 25 97 - 26 - 10745/3.0=7, 8257/2.1=5...(8) HB2 SER 85 - QD1 ILE 7 OK 13 65 - 20 - 3.0/274=5, ~258=3...(8) HA GLU 44 - QD1 ILE 7 lone 6 73 - 8 - 8265/3.0=2, 10374/2.1=2 Peak 8260 from cnoeabs.peaks (3.78, 0.62, 13.69 ppm; 5.39 A): 1 out of 1 assignment used, quality = 0.86: HA ALA 18 + QD1 ILE 7 OK 86 100 - 87 - 2.1/8278=48, ~8283=32...(12) Peak 8261 from cnoeabs.peaks (3.26, 0.62, 13.69 ppm; 3.85 A): 1 out of 1 assignment used, quality = 0.69: HA ILE 15 + QD1 ILE 7 OK 69 97 - 71 - 8459=15, 772/8278=14...(20) Peak 8262 from cnoeabs.peaks (2.99, 0.62, 13.69 ppm; 5.27 A): 2 out of 6 assignments used, quality = 0.98: HB2 SER 9 + QD1 ILE 7 OK 96 100 - 96 - 8325=39, 1.8/8331=36...(26) HB3 ASP 11 + QD1 ILE 7 OK 54 100 - 54 - 10375/2.1=11...(14) HB2 PHE 45 - QD1 ILE 7 OK 25 94 - 26 - 8258/2.1=6, ~12099=5...(8) HE2 LYS 12 - QD1 ILE 7 OK 20 77 - 25 - 8267/3.0=3, 10375/2.1=3...(8) HE3 LYS 47 - QD1 ILE 7 lone 3 65 - 4 - HE2 LYS 47 - QD1 ILE 7 lone 3 65 - 4 - Peak 8264 from cnoeabs.peaks (4.23, 0.80, 16.81 ppm; 4.69 A): 2 out of 3 assignments used, quality = 0.86: HB THR 31 + QG2 ILE 7 OK 83 96 - 87 - 2.1/8282=25, 3.0/8255=25...(15) HA SER 49 + QG2 ILE 7 OK 16 87 - 18 - 8252/4.0=5, 3.6/9104=2...(7) HA ASP 87 - QG2 ILE 7 lone 5 94 - 6 - ~9898=3 Peak 8265 from cnoeabs.peaks (3.93, 0.80, 16.81 ppm; 4.01 A): 3 out of 4 assignments used, quality = 0.89: HB3 SER 9 + QG2 ILE 7 OK 80 100 - 80 - 1.8/8267=24, 8331/3.0=20...(19) HA TYR 41 + QG2 ILE 7 OK 30 100 - 30 - 8259/3.0=5, 8257/3.2=5...(9) HA GLU 63 + QG2 ILE 7 OK 19 84 - 23 - 10745=6, 3.0/10746=3...(7) HA GLU 44 - QG2 ILE 7 lone 8 92 - 8 - 4.0/8981=2 Peak 8267 from cnoeabs.peaks (3.00, 0.80, 16.81 ppm; 3.82 A): 3 out of 4 assignments used, quality = 0.86: HB2 SER 9 + QG2 ILE 7 OK 77 99 - 78 - 1.8/8265=20, 8325/3.0=18...(19) HB3 ASP 11 + QG2 ILE 7 OK 33 100 - 33 - 8366/2.1=6, 10375/3.2=5...(8) HB2 PHE 45 + QG2 ILE 7 OK 11 84 - 14 - 8258/3.2=2, 8262/3.0=2...(6) HE2 LYS 12 - QG2 ILE 7 poor 10 90 - 11 - 8262/3.0=2, 10375/3.2=1 Peak 8271 from cnoeabs.peaks (1.20, 5.13, 58.46 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.77: HB2 LEU 57 + HA ILE 7 OK 77 96 - 80 - 1.8/8272=21, 3.9/9332=18...(20) Peak 8272 from cnoeabs.peaks (1.82, 5.13, 58.46 ppm; 3.93 A): 4 out of 9 assignments used, quality = 0.91: HB3 LEU 57 + HA ILE 7 OK 84 100 - 85 - 1.8/8271=34, 3.9/9332=16...(21) HG2 ARG 46 + HA ILE 7 OK 24 99 - 24 - 8284/3.9=3, 8289/3.6=3...(11) HB2 LEU 42 + HA ILE 7 OK 14 81 - 18 - 8285/3.9=3, 8289/3.6=2...(8) HB2 LYS 90 + HA ILE 7 OK 11 94 - 12 - 8287/4.2=2, 8285/3.9=1...(5) HB3 LYS 90 - HA ILE 7 poor 9 84 - 10 - 8284/3.9=2, 8269/3.0=1...(4) HB2 GLU 88 - HA ILE 7 lone 7 87 - 8 - 3.9/8600=2, 8287/4.2=1 HB2 LYS 68 - HA ILE 7 lone 6 70 - 8 - 8269/3.0=2 HB2 GLU 104 - HA ILE 7 lone 3 87 - 4 - HB ILE 93 - HA ILE 7 lone 3 65 - 4 - Peak 8273 from cnoeabs.peaks (1.90, 5.13, 58.46 ppm; 4.44 A): 2 out of 11 assignments used, quality = 0.94: HB ILE 8 + HA ILE 7 OK 81 97 - 83 - 3.8/6087=26, 8299=20...(30) HB3 LEU 14 + HA ILE 7 OK 68 100 - 69 - 3.1/8424=12, 3.1/8427=11...(23) HB2 ARG 19 - HA ILE 7 OK 20 92 - 22 - 8514/3.0=5, ~8270=4...(5) HG LEU 42 - HA ILE 7 OK 17 98 - 17 - 3.0/8272=3, ~6076=3...(5) HB VAL 54 - HA ILE 7 OK 17 70 - 24 - ~10209=5, 9233/3.9=4...(7) HB3 LYS 13 - HA ILE 7 OK 12 87 - 14 - 3.0/237=3, ~10394=2, ~253=1 HB2 LYS 13 - HA ILE 7 OK 11 81 - 13 - 3.0/237=3, ~10394=2, ~253=1 HB2 GLU 43 - HA ILE 7 lone 6 99 - 6 - 6094/3.6=1, ~10608=1 HB2 LYS 20 - HA ILE 7 lone 6 84 - 7 - 6094/3.6=2, ~8270=2 HB3 LYS 33 - HA ILE 7 lone 4 84 - 5 - HB2 LYS 33 - HA ILE 7 lone 4 77 - 5 - Peak 8275 from cnoeabs.peaks (1.14, 1.52, 41.02 ppm; 3.94 A): 6 out of 10 assignments used, quality = 0.95: QG2 THR 31 + HB ILE 7 OK 75 100 - 76 - 8730/2.1=27, 8732=17...(12) HB3 LEU 3 + HB ILE 7 OK 42 97 - 44 - 8282/2.1=10, 109/3.0=6...(13) HB2 LEU 29 + HB ILE 7 OK 28 70 - 41 - 8282/2.1=7, ~10501=6...(18) HG3 LYS 82 + HB2 LEU 14 OK 26 88 - 29 - 9763/3.1=5, 3683/3.0=4...(12) QG2 THR 31 + HB2 LEU 14 OK 20 91 - 22 - 8734/1.8=5, 8732=5...(7) HG3 LYS 82 + HB ILE 7 OK 14 99 - 15 - 8282/2.1=3, 8280/2.9=3...(4) HB3 LEU 3 - HB2 LEU 14 lone 8 85 - 9 - 4.0/6021=2, 3.0/242=1...(4) HG2 LYS 40 - HB2 LEU 14 lone 4 64 - 7 - HB2 LEU 29 - HB2 LEU 14 lone 3 58 - 6 - HG2 LYS 40 - HB ILE 7 lone 3 77 - 4 - 8282/2.1=1 Peak 8276 from cnoeabs.peaks (1.22, 1.52, 41.02 ppm; 4.55 A): 2 out of 2 assignments used, quality = 0.92: QB ALA 18 + HB ILE 7 OK 77 96 - 81 - 8283/2.1=42, 8278/3.2=40...(10) QB ALA 18 + HB2 LEU 14 OK 63 83 - 76 - 12013/3.1=24...(12) Peak 8277 from cnoeabs.peaks (1.81, 1.52, 41.02 ppm; 4.46 A): 5 out of 16 assignments used, quality = 0.93: HB3 LEU 57 + HB ILE 7 OK 73 81 - 90 - ~8271=23, 12134/2.9=16...(24) HB2 LEU 42 + HB2 LEU 14 OK 42 90 - 47 - 1914/1.8=6, 1915/3.1=5...(20) HB2 LEU 42 + HB ILE 7 OK 26 100 - 26 - 8285/2.9=5, 8287/3.2=3...(10) HG2 ARG 46 + HB ILE 7 OK 23 77 - 31 - 8285/2.9=5, 8287/3.2=4...(11) HB2 LYS 39 + HB2 LEU 14 OK 23 74 - 31 - ~10570=4, 1680/4.4=3...(16) HB2 LYS 39 - HB ILE 7 OK 22 87 - 25 - 8956/2.1=3, 8285/2.9=3...(11) HB2 LYS 90 - HB2 LEU 14 OK 21 91 - 23 - ~603=4, 3925/3.0=3...(9) HB3 LEU 57 - HB2 LEU 14 OK 19 68 - 28 - 3.9/8242=4, 12135/3.0=3...(15) HB2 LYS 90 - HB ILE 7 OK 15 100 - 15 - 8287/3.2=2, 8285/2.9=2...(6) HB2 GLU 88 - HB2 LEU 14 lone 7 91 - 8 - 3.9/594=1, ~592=1...(4) HB2 GLU 88 - HB ILE 7 lone 7 100 - 7 - 8287/3.2=2, 8272/3.0=1 HB ILE 93 - HB ILE 7 lone 7 97 - 7 - 8287/3.2=1, 8285/2.9=1 HB ILE 93 - HB2 LEU 14 lone 5 85 - 6 - 4129/3.0=1 HB2 GLU 104 - HB ILE 7 lone 5 100 - 4 - HG2 ARG 46 - HB2 LEU 14 lone 4 64 - 6 - 4.9/8474=1 HB2 GLU 104 - HB2 LEU 14 lone 3 91 - 3 - Peak 8278 from cnoeabs.peaks (1.22, 0.62, 13.69 ppm; 3.12 A): 1 out of 2 assignments used, quality = 0.56: QB ALA 18 + QD1 ILE 7 OK 56 100 - 56 - 8283/3.0=19, 8483=11...(12) QG2 THR 84 - QD1 ILE 7 lone 2 65 - 3 - Peak 8279 from cnoeabs.peaks (1.12, 0.62, 13.69 ppm; 4.37 A): 2 out of 2 assignments used, quality = 0.52: QG2 THR 31 + QD1 ILE 7 OK 43 65 - 66 - 8280/2.1=21, ~8264=15...(12) HG3 LYS 82 + QD1 ILE 7 OK 16 77 - 20 - 8280/2.1=7, 2.9/12172=4...(5) Peak 8280 from cnoeabs.peaks (1.13, 0.89, 27.84 ppm; 5.07 A): 2 out of 2 assignments used, quality = 0.74: QG2 THR 31 + HG13 ILE 7 OK 66 84 - 79 - 8279/2.1=32, 8730/3.2=20...(13) HG3 LYS 82 + HG13 ILE 7 OK 22 92 - 24 - 8279/2.1=12...(5) Peak 8281 from cnoeabs.peaks (1.21, 0.89, 27.84 ppm; 4.59 A): 2 out of 2 assignments used, quality = 0.86: HB2 LEU 57 + HG13 ILE 7 OK 75 84 - 89 - 8271/3.9=29, ~9350=20...(20) QB ALA 18 + HG13 ILE 7 OK 43 61 - 70 - 8278/2.1=25, ~8260=21...(7) Peak 8282 from cnoeabs.peaks (1.14, 0.80, 16.81 ppm; 3.11 A): 3 out of 5 assignments used, quality = 0.76: QG2 THR 31 + QG2 ILE 7 OK 60 100 - 60 - 8730=23, 3.2/8255=11...(10) HB3 LEU 3 + QG2 ILE 7 OK 26 97 - 27 - 3.0/250=5, 8275/2.1=4...(13) HB2 LEU 29 + QG2 ILE 7 OK 20 70 - 28 - 3.1/10501=8, 4.0/249=4...(8) HG3 LYS 82 - QG2 ILE 7 lone 9 99 - 9 - 8280/3.2=2, 8275/2.1=1 HG2 LYS 40 - QG2 ILE 7 lone 3 77 - 4 - Peak 8283 from cnoeabs.peaks (1.22, 0.80, 16.81 ppm; 3.77 A): 1 out of 2 assignments used, quality = 0.65: QB ALA 18 + QG2 ILE 7 OK 65 100 - 65 - 8278/3.0=33, 8276/2.1=14...(12) QG2 THR 84 - QG2 ILE 7 lone 2 65 - 3 - 8278/3.0=1 Peak 8284 from cnoeabs.peaks (1.83, 1.42, 27.84 ppm; 4.32 A): 4 out of 6 assignments used, quality = 0.91: HB3 LEU 57 + HG12 ILE 7 OK 83 97 - 86 - 12134=21, 9355/2.1=20...(22) HG2 ARG 46 + HG12 ILE 7 OK 25 98 - 26 - 3.0/9016=4, 8272/3.9=3...(10) HB2 LYS 53 + HG12 ILE 7 OK 15 92 - 17 - 3.9/257=5, 8269/4.5=5...(4) HB3 LYS 90 + HG12 ILE 7 OK 13 100 - 13 - ~8287=2, ~8285=2...(5) HB2 LYS 68 - HG12 ILE 7 lone 7 97 - 8 - 8269/4.5=2 HB2 LYS 90 - HG12 ILE 7 lone 6 61 - 10 - 8287/2.1=2, 8272/3.9=2...(4) Peak 8285 from cnoeabs.peaks (1.81, 0.89, 27.84 ppm; 4.66 A): 5 out of 8 assignments used, quality = 0.94: HB3 LEU 57 + HG13 ILE 7 OK 82 92 - 90 - 1.8/8281=26...(20) HB2 LEU 42 + HG13 ILE 7 OK 31 97 - 32 - 4.0/8912=6, 8287/2.1=5...(8) HG2 ARG 46 + HG13 ILE 7 OK 30 90 - 34 - 8287/2.1=6, 8272/3.9=4...(12) HB2 LYS 39 + HG13 ILE 7 OK 19 73 - 26 - 8287/2.1=3, ~12172=3...(9) HB2 LYS 90 + HG13 ILE 7 OK 16 100 - 16 - 8287/2.1=3, ~8284=3...(5) HB2 GLU 88 - HG13 ILE 7 lone 7 99 - 8 - 8287/2.1=2, 8272/3.9=1 HB ILE 93 - HG13 ILE 7 lone 7 90 - 8 - 8287/2.1=2, ~10327=1 HB2 GLU 104 - HG13 ILE 7 lone 4 99 - 4 - 8287/2.1=1 Peak 8286 from cnoeabs.peaks (1.71, 0.62, 13.69 ppm; 4.47 A): 2 out of 16 assignments used, quality = 0.91: HB2 LEU 2 + QD1 ILE 7 OK 75 97 - 77 - 1.8/12172=13, 58/2.1=9...(31) HG12 ILE 15 + QD1 ILE 7 OK 64 77 - 83 - 4.1/8261=29, 1.8/8470=29...(20) HD3 LYS 13 - QD1 ILE 7 OK 19 98 - 19 - 3.0/277=3, ~10394=2...(5) HD2 LYS 13 - QD1 ILE 7 OK 19 96 - 19 - 3.0/277=3, ~10394=2...(5) HD2 LYS 12 - QD1 ILE 7 OK 18 96 - 18 - 3.0/8262=2, 1.8/8471=1...(5) HD3 LYS 12 - QD1 ILE 7 OK 18 96 - 18 - 3.0/8262=2, 1.8/8471=1...(5) HB3 LEU 70 - QD1 ILE 7 OK 12 97 - 13 - 8487/8278=1, 3.1/276=1 HG LEU 70 - QD1 ILE 7 OK 11 92 - 12 - 2.1/276=1 HD3 LYS 90 - QD1 ILE 7 OK 10 87 - 12 - 3.6/8287=2, 662/8261=2...(4) HD3 LYS 66 - QD1 ILE 7 lone 6 97 - 7 - ~12319=1 HG2 PRO 86 - QD1 ILE 7 lone 6 73 - 8 - ~12221=2, ~12011=1, ~9877=1 HD2 LYS 33 - QD1 ILE 7 lone 5 73 - 7 - HD3 LYS 33 - QD1 ILE 7 lone 5 73 - 7 - HD3 LYS 24 - QD1 ILE 7 lone 4 87 - 5 - HD2 ARG 81 - QD1 ILE 7 lone 4 70 - 6 - 6.2/9735=3 HD2 LYS 24 - QD1 ILE 7 lone 4 84 - 5 - Peak 8287 from cnoeabs.peaks (1.82, 0.62, 13.69 ppm; 4.14 A): 5 out of 9 assignments used, quality = 0.93: HB3 LEU 57 + QD1 ILE 7 OK 83 96 - 87 - 2.9/9350=25, 9355=21...(21) HG2 ARG 46 + QD1 ILE 7 OK 26 94 - 28 - 8285/2.1=5, 8272/4.2=3...(13) HB2 LEU 42 + QD1 ILE 7 OK 21 94 - 22 - 8285/2.1=5, 8915/2.1=3...(8) HB2 LYS 90 + QD1 ILE 7 OK 15 99 - 15 - 8285/2.1=2, ~8284=2...(5) HB2 LYS 39 + QD1 ILE 7 OK 15 65 - 23 - 3.0/12172=4, 8285/2.1=3...(8) HB2 GLU 88 - QD1 ILE 7 poor 10 97 - 10 - 9913/10373=3...(4) HB3 LYS 90 - QD1 ILE 7 poor 8 65 - 12 - ~8285=2, 8284/2.1=2...(4) HB ILE 93 - QD1 ILE 7 lone 7 84 - 9 - 8489/8260=3, 8285/2.1=1 HB2 GLU 104 - QD1 ILE 7 lone 5 97 - 5 - Peak 8293 from cnoeabs.peaks (8.48, 1.90, 37.66 ppm; 5.92 A): 3 out of 6 assignments used, quality = 0.96: H VAL 32 + HB ILE 8 OK 84 100 - 84 - 10147/3.0=47...(9) H ALA 67 + HB ILE 8 OK 52 100 - 52 - 8296/2.9=8, 8294/2.9=7...(16) H ILE 7 + HB ILE 8 OK 45 57 - 79 - 3.0/8299=26, 4.7/289=23...(12) H VAL 54 - HB ILE 8 OK 35 87 - 40 - 8296/2.9=7, 8294/2.9=5...(12) H LYS 53 - HB ILE 8 OK 31 90 - 35 - 4.3/292=6, 11115/3.0=5...(10) H THR 31 - HB ILE 8 OK 26 65 - 40 - 4.0/8734=14, 8346/4.4=10...(7) Peak 8294 from cnoeabs.peaks (8.49, 1.36, 26.30 ppm; 5.11 A): 5 out of 6 assignments used, quality = 0.91: H VAL 32 + HG12 ILE 8 OK 66 94 - 71 - 10147/4.1=30...(10) H ALA 67 + HG12 ILE 8 OK 41 94 - 44 - 8296/1.8=7, 3.0/2979=6...(14) H THR 31 + HG12 ILE 8 OK 32 97 - 33 - 6494=6, 3.6/1314=4...(9) H VAL 54 + HG12 ILE 8 OK 27 100 - 27 - 8296/1.8=6, 6896/2.9=5...(7) H ARG 79 + HG12 ILE 8 OK 13 92 - 14 - 8296/1.8=2, 8297/2.1=2...(4) H LEU 2 - HG12 ILE 8 poor 8 57 - 14 - ~50=3, 4.7/310=3...(5) Peak 8296 from cnoeabs.peaks (8.48, 0.89, 26.30 ppm; 5.55 A): 4 out of 6 assignments used, quality = 0.93: H VAL 32 + HG13 ILE 8 OK 73 99 - 74 - 10147/4.1=37...(9) H ALA 67 + HG13 ILE 8 OK 45 99 - 46 - 8294/1.8=10, 8293/2.9=6...(13) H VAL 54 + HG13 ILE 8 OK 38 99 - 38 - 4.0/11070=9, 3.9/9233=8...(8) H THR 31 + HG13 ILE 8 OK 23 90 - 26 - 8294/1.8=8, ~2594=4...(7) H LYS 53 - HG13 ILE 8 OK 21 65 - 33 - 3.6/12272=7, 4.3/316=6...(9) H ARG 79 - HG13 ILE 8 OK 14 81 - 17 - 4.6/10898=3, 8294/1.8=3...(6) Peak 8297 from cnoeabs.peaks (8.49, 0.71, 13.69 ppm; 4.56 A): 4 out of 12 assignments used, quality = 0.96: H ALA 67 + QD1 ILE 56 OK 69 85 - 81 - ~9528=20, 2.9/9527=14...(18) H VAL 32 + QD1 ILE 8 OK 58 92 - 63 - 10147/4.1=24, 10514=12...(11) H ARG 79 + QD1 ILE 56 OK 46 88 - 52 - 9697/5.0=14, 7286/2.1=7...(17) H THR 31 + QD1 ILE 56 OK 41 93 - 44 - ~2578=7, ~2586=7...(10) H ALA 67 - QD1 ILE 8 OK 39 92 - 42 - 8294/2.1=7, 8296/2.1=5...(12) H VAL 32 - QD1 ILE 56 OK 33 85 - 39 - 10514=7, 10514/2.1=6...(8) H VAL 54 - QD1 ILE 8 OK 28 100 - 28 - 3.9/12126=6, 8296/2.1=5...(8) H THR 31 - QD1 ILE 8 OK 26 98 - 26 - 4.6/10514=7, 6494/2.1=6...(7) H ARG 79 - QD1 ILE 8 OK 16 94 - 16 - 8294/2.1=2, 8296/2.1=2...(7) H VAL 54 - QD1 ILE 56 OK 11 96 - 11 - 3.9/12126=2, 11101/3475=2 H LEU 2 - QD1 ILE 8 poor 10 61 - 16 - 4.0/12275=3, ~50=2...(7) H LEU 2 - QD1 ILE 56 poor 7 55 - 13 - 9297/5.0=2, 4.0/12275=2...(4) Peak 8299 from cnoeabs.peaks (5.13, 1.90, 37.66 ppm; 4.90 A): 4 out of 4 assignments used, quality = 0.94: HA ILE 7 + HB ILE 8 OK 87 100 - 87 - 6087/3.8=30, 8303/2.9=16...(30) HA LEU 3 + HB ILE 8 OK 28 100 - 28 - 6087/3.8=6, 8303/2.9=5...(8) HA SER 85 + HB ILE 8 OK 18 98 - 18 - 6087/3.8=4, 8303/2.9=4...(6) HA TYR 4 + HB ILE 8 OK 16 84 - 20 - 8339/4.4=5, 6087/3.8=5...(5) Peak 8300 from cnoeabs.peaks (5.25, 1.90, 37.66 ppm; 3.64 A): 1 out of 1 assignment used, quality = 0.84: HA VAL 58 + HB ILE 8 OK 84 100 - 84 - 9374=23, 8298/3.8=22...(24) Peak 8301 from cnoeabs.peaks (2.58, 1.90, 37.66 ppm; 4.68 A): 1 out of 1 assignment used, quality = 0.70: HB VAL 58 + HB ILE 8 OK 70 77 - 91 - 3.0/8300=41, ~8302=20...(20) Peak 8302 from cnoeabs.peaks (5.26, 0.79, 17.45 ppm; 4.49 A): 2 out of 2 assignments used, quality = 0.92: HA VAL 58 + QG2 ILE 8 OK 92 99 - 92 - 8300/2.1=44, 8298/4.0=31...(22) HA VAL 58 + QG2 ILE 52 OK 11 44 - 24 - ~10200=4, 8300/292=2...(9) Peak 8303 from cnoeabs.peaks (5.13, 1.36, 26.30 ppm; 5.56 A): 2 out of 4 assignments used, quality = 0.93: HA ILE 7 + HG12 ILE 8 OK 90 100 - 90 - 6087/4.6=30, 8299/2.9=24...(29) HA LEU 3 + HG12 ILE 8 OK 30 100 - 31 - 8299/2.9=8, 8305/1.8=7...(7) HA SER 85 - HG12 ILE 8 OK 19 98 - 20 - 8299/2.9=5, 6087/4.6=4...(5) HA TYR 4 - HG12 ILE 8 OK 16 84 - 19 - 8299/2.9=5, 6087/4.6=4...(5) Peak 8304 from cnoeabs.peaks (5.25, 1.36, 26.30 ppm; 5.62 A): 1 out of 1 assignment used, quality = 0.98: HA VAL 58 + HG12 ILE 8 OK 98 100 - 98 - 8300/2.9=49, 8298/4.6=39...(25) Peak 8305 from cnoeabs.peaks (5.12, 0.89, 26.30 ppm; 5.68 A): 3 out of 4 assignments used, quality = 0.87: HA ILE 7 + HG13 ILE 8 OK 79 90 - 88 - 6087/4.6=27, 8303/1.8=20...(27) HA LEU 3 + HG13 ILE 8 OK 29 96 - 30 - 8303/1.8=7, 8299/2.9=6...(4) HA SER 85 + HG13 ILE 8 OK 14 73 - 19 - 8303/1.8=4, 8299/2.9=4...(5) HA VAL 5 - HG13 ILE 8 poor 9 81 - 12 - ~2600=3, 12128/11070=3, ~6054=1 Peak 8306 from cnoeabs.peaks (3.86, 0.71, 13.69 ppm; 4.15 A): 8 out of 18 assignments used, quality = 0.92: HA ALA 67 + QD1 ILE 56 OK 67 93 - 72 - ~9528=21, 2.1/9527=15...(15) HA ALA 67 + QD1 ILE 8 OK 26 98 - 26 - 2979/2.1=5, 2.1/9527=4...(8) HA LYS 40 + QD1 ILE 8 OK 23 99 - 23 - 3.6/8870=4, 1780/3.2=3...(8) HA LYS 94 + QD1 ILE 8 OK 20 98 - 20 - 11008/4.1=6, 4175/2.1=2...(4) HA LEU 38 + QD1 ILE 56 OK 18 74 - 25 - 2.9/8851=5, 8855/2.1=4...(9) HA LEU 38 + QD1 ILE 8 OK 17 81 - 21 - 2.9/8851=4, 3.0/12202=3...(6) HB3 SER 49 + QD1 ILE 8 OK 17 100 - 17 - ~9065=5, 3.9/9048=2...(5) HA ALA 71 + QD1 ILE 8 OK 10 81 - 13 - 3.6/9558=2, 3.0/9550=1...(4) HA LYS 40 - QD1 ILE 56 lone 8 94 - 9 - 3.6/8870=1 HA LYS 12 - QD1 ILE 8 lone 8 99 - 8 - 3.6/8384=2 HA ALA 71 - QD1 ILE 56 lone 7 74 - 9 - 3.6/9558=1 HA LYS 12 - QD1 ILE 56 lone 5 94 - 6 - HA LYS 94 - QD1 ILE 56 lone 5 93 - 5 - HB3 SER 49 - QD1 ILE 56 lone 4 95 - 4 - HA2 GLY 100 - QD1 ILE 8 lone 2 98 - 2 - HA2 GLY 101 - QD1 ILE 8 lone 2 98 - 2 - HA2 GLY 101 - QD1 ILE 56 lone 2 93 - 2 - HA2 GLY 100 - QD1 ILE 56 lone 2 93 - 2 - Peak 8307 from cnoeabs.peaks (2.58, 0.71, 13.69 ppm; 5.30 A): 2 out of 2 assignments used, quality = 0.81: HB VAL 58 + QD1 ILE 8 OK 72 77 - 94 - 8301/3.2=38, ~8300=25...(22) HB VAL 58 + QD1 ILE 56 OK 33 70 - 47 - 4.4/321=5, ~9380=4...(21) Peak 8308 from cnoeabs.peaks (2.20, 0.71, 13.69 ppm; 4.98 A): 9 out of 18 assignments used, quality = 0.89: HB2 GLU 63 + QD1 ILE 8 OK 41 100 - 41 - 10744/3.0=9, 10753/5.0=7...(13) HG2 GLU 43 + QD1 ILE 8 OK 33 96 - 35 - 1.8/10607=11...(11) HB2 GLU 63 + QD1 ILE 56 OK 33 96 - 34 - 3.0/9460=4, 4.0/9457=4...(17) HB2 GLU 95 + QD1 ILE 8 OK 16 96 - 17 - 2.9/10042=5, ~10041=3...(6) HG2 MET 1 + QD1 ILE 8 OK 14 100 - 14 - 8309/3.0=2, 3.0/12200=2...(6) HG2 GLU 35 + QD1 ILE 8 OK 14 100 - 14 - 2.9/12202=2, 8309/3.0=1...(4) HG3 GLU 35 + QD1 ILE 8 OK 14 100 - 14 - 2.9/12202=2, 8309/3.0=1...(4) HG2 GLU 43 + QD1 ILE 56 OK 13 90 - 15 - 1.8/10607=4, 3.0/12202=2...(4) HB3 GLU 75 + QD1 ILE 8 OK 11 97 - 11 - 4.1/9647=6 HG3 GLU 35 - QD1 ILE 56 lone 9 96 - 9 - 4.9/2593=2, 2.9/12202=1 HG2 GLU 35 - QD1 ILE 56 lone 9 96 - 9 - 4.9/2593=2, 2.9/12202=1 HG3 PRO 86 - QD1 ILE 8 lone 9 100 - 9 - HG3 PRO 86 - QD1 ILE 56 lone 7 96 - 8 - 9889/624=1 HB2 GLU 95 - QD1 ILE 56 lone 6 90 - 7 - 2.9/10042=2 HB3 GLU 75 - QD1 ILE 56 lone 6 91 - 6 - 4.1/9647=2 HG2 MET 1 - QD1 ILE 56 lone 6 96 - 6 - ~8027=1 HG2 GLU 98 - QD1 ILE 8 lone 1 61 - 2 - HG2 GLU 98 - QD1 ILE 56 lone 1 55 - 2 - Peak 8309 from cnoeabs.peaks (2.19, 0.79, 17.45 ppm; 4.89 A): 11 out of 22 assignments used, quality = 0.88: HB2 GLU 63 + QG2 ILE 8 OK 40 94 - 43 - 10744=11, 10753/4.0=7...(14) HG2 GLU 43 + QG2 ILE 8 OK 30 100 - 31 - ~10607=6, 8308/3.0=4...(12) HG2 MET 1 + QG2 ILE 52 OK 20 37 - 55 - 8034/3.2=16, ~8035=12...(10) HB2 GLU 63 + QG2 ILE 52 OK 14 39 - 35 - 10744=9, 9461/3.1=5...(10) HG2 MET 1 + QG2 ILE 8 OK 13 92 - 14 - 3.3/8028=3, 3.0/12205=2...(4) HB2 GLU 95 + QG2 ILE 8 OK 12 73 - 17 - 2.9/10041=5, ~10042=3...(5) HB2 GLU 95 + QG2 ILE 52 OK 12 27 - 44 - 2.9/10041=14, ~10040=14...(10) HB3 GLN 50 + QG2 ILE 8 OK 12 81 - 15 - ~9103=3, 4.6/9107=3...(5) HB3 GLN 50 + QG2 ILE 52 OK 11 31 - 35 - ~9103=11, 4.6/9107=9...(8) HG2 GLU 35 + QG2 ILE 8 OK 10 96 - 11 - 8308/3.0=2, ~8308=1...(4) HG3 GLU 35 + QG2 ILE 8 OK 10 96 - 11 - 8308/3.0=2, ~8308=1...(4) HG2 GLU 43 - QG2 ILE 52 poor 10 45 - 22 - ~10607=4, ~10603=3...(8) HG3 PRO 86 - QG2 ILE 8 lone 7 97 - 7 - 8308/3.0=1 HB3 GLU 75 - QG2 ILE 8 lone 6 100 - 6 - 4.1/7258=2, 8308/3.0=1 HG2 GLU 35 - QG2 ILE 52 lone 4 40 - 10 - 9160/3.2=1, ~9160=1 HG3 GLU 35 - QG2 ILE 52 lone 4 40 - 10 - 9160/3.2=1, ~9160=1 HG3 PRO 86 - QG2 ILE 52 lone 3 41 - 6 - 9160/3.2=1 HG3 GLU 75 - QG2 ILE 8 lone 2 81 - 3 - HG2 GLU 75 - QG2 ILE 8 lone 2 73 - 3 - HB3 GLU 75 - QG2 ILE 52 lone 1 45 - 3 - HG3 GLU 75 - QG2 ILE 52 lone 1 31 - 2 - HG2 GLU 75 - QG2 ILE 52 lone 1 27 - 2 - Peak 8310 from cnoeabs.peaks (2.29, 0.79, 17.45 ppm; 4.43 A): 5 out of 12 assignments used, quality = 0.68: HB2 GLU 48 + QG2 ILE 52 OK 29 40 - 72 - 12315/2.1=10, 9039=9...(20) HB2 GLU 48 + QG2 ILE 8 OK 26 96 - 27 - 9038/3.1=5, 4.6/9047=4...(8) HG2 GLU 63 + QG2 ILE 8 OK 23 99 - 23 - 3.0/10744=7, 3.8/10745=3...(7) HG3 GLU 16 + QG2 ILE 8 OK 12 96 - 13 - 3.0/10421=2, 10425=1...(4) HG2 GLU 63 + QG2 ILE 52 OK 10 43 - 24 - 3.0/10744=6, 10424/3.1=4...(7) HB2 TYR 4 - QG2 ILE 52 poor 10 45 - 22 - 5.4/8158=4, 5.4/8158=4...(10) HD3 ARG 81 - QG2 ILE 52 poor 9 24 - 39 - ~9156=6, ~10923=5...(16) HG2 GLU 95 - QG2 ILE 52 poor 8 22 - 39 - ~10040=14, 1.8/10041=14...(9) HG2 GLU 95 - QG2 ILE 8 poor 8 61 - 13 - 1.8/10041=5, ~10042=3...(5) HB2 TYR 4 - QG2 ILE 8 lone 7 100 - 7 - ~8299=2, ~8303=1 HG3 GLU 16 - QG2 ILE 52 poor 7 40 - 16 - 3.0/10421=3, 10425=3...(4) HD3 ARG 81 - QG2 ILE 8 lone 1 65 - 2 - Peak 8312 from cnoeabs.peaks (0.61, 1.36, 26.30 ppm; 4.61 A): 2 out of 2 assignments used, quality = 0.90: QG2 ILE 56 + HG12 ILE 8 OK 71 97 - 74 - 10383/2.9=20...(25) QD1 ILE 7 + HG12 ILE 8 OK 67 81 - 83 - 6092/4.6=22, 2.1/310=12...(27) Peak 8313 from cnoeabs.peaks (0.60, 0.71, 13.69 ppm; 2.86 A): 2 out of 2 assignments used, quality = 0.91: QG2 ILE 56 + QD1 ILE 56 OK 85 95 - 89 - 3.0=84, 2574/2.1=9...(12) QG2 ILE 56 + QD1 ILE 8 OK 40 100 - 40 - 10383/3.2=10, 2575=7...(14) Peak 8317 from cnoeabs.peaks (0.70, 4.43, 58.48 ppm; 4.19 A): 5 out of 14 assignments used, quality = 0.95: QD1 ILE 8 + HA SER 9 OK 53 77 - 69 - 6107/2.9=9, 8324/3.0=8...(19) QD2 LEU 14 + HA SER 9 OK 45 80 - 57 - 8414/3.0=12, ~10409=10...(15) QD1 ILE 8 + HA ILE 76 OK 45 94 - 48 - 9646/3.0=8, 10877/3.2=7...(16) QD2 LEU 14 + HA ILE 76 OK 44 96 - 46 - 626/3.0=10, ~618=6...(13) QD1 LEU 42 + HA ILE 76 OK 34 87 - 40 - 10877/3.2=9, 9646/3.0=8...(8) QD1 ILE 52 - HA ILE 76 OK 25 98 - 25 - 10640/3.2=6, 9646/3.0=3...(7) QD1 ILE 56 - HA SER 9 OK 20 81 - 24 - 6107/2.9=4, 8324/3.0=3...(9) QD2 LEU 6 - HA ILE 76 OK 17 81 - 21 - 9646/3.0=4, 10877/3.2=4...(9) QD1 ILE 56 - HA ILE 76 OK 16 97 - 17 - 9646/3.0=2, 10877/3.2=2...(5) HG13 ILE 56 - HA SER 9 OK 16 64 - 25 - 6107/2.9=4, 8324/3.0=3...(10) QD1 ILE 52 - HA SER 9 OK 15 83 - 18 - 3.1/9163=2, 6107/2.9=2...(9) HG13 ILE 56 - HA ILE 76 OK 11 81 - 14 - 9646/3.0=2, ~9647=1...(5) QD1 LEU 42 - HA SER 9 lone 7 70 - 9 - ~6103=1, 10877/3426=1 QD2 LEU 6 - HA SER 9 lone 5 64 - 7 - ~8315=1 Peak 8318 from cnoeabs.peaks (-0.15, 4.43, 58.48 ppm; 4.84 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8319 from cnoeabs.peaks (1.89, 2.99, 64.26 ppm; 5.82 A): 2 out of 9 assignments used, quality = 0.97: HB ILE 8 + HB2 SER 9 OK 87 98 - 89 - 3.0/8342=36, 4.4/6109=26...(20) HB3 LEU 14 + HB2 SER 9 OK 74 84 - 89 - ~8403=28, ~10409=20...(21) HB VAL 54 - HB2 SER 9 OK 44 99 - 44 - 2.1/9237=10, 2492/4.6=8...(11) HB2 ARG 19 - HB2 SER 9 OK 20 100 - 20 - 6103/4.0=4, 4.1/334=2...(6) HB2 LYS 20 - HB2 SER 9 OK 19 100 - 19 - 3.0/12230=7, 6103/4.0=3...(4) HG LEU 42 - HB2 SER 9 OK 18 97 - 19 - 4.3/1907=3, 6103/4.0=3...(4) HB2 GLU 43 - HB2 SER 9 lone 7 70 - 10 - 4.4/8976=3, 6103/4.0=2 HB3 LYS 68 - HB2 SER 9 lone 3 65 - 4 - HB3 GLU 104 - HB2 SER 9 lone 2 61 - 3 - Peak 8320 from cnoeabs.peaks (1.71, 2.99, 64.26 ppm; 4.58 A): 6 out of 15 assignments used, quality = 0.84: HG12 ILE 15 + HB2 SER 9 OK 55 87 - 63 - ~10417=17, ~8442=17...(9) HD3 LYS 12 + HB2 SER 9 OK 23 99 - 23 - 8326/1.8=4, 6.2/6150=3...(7) HD2 LYS 12 + HB2 SER 9 OK 23 99 - 23 - 8326/1.8=4, 6.2/6150=3...(7) HB2 LEU 2 + HB2 SER 9 OK 19 99 - 19 - 8326/1.8=3, 3.1/8322=3...(7) HD3 LYS 13 + HB2 SER 9 OK 14 100 - 14 - 3.0/8321=3, 8326/1.8=2...(5) HD2 LYS 13 + HB2 SER 9 OK 13 99 - 14 - 3.0/8321=3, 8326/1.8=2...(5) HB3 LEU 70 - HB2 SER 9 lone 9 92 - 10 - 8316/4.0=2, 8326/1.8=2 HD3 LYS 66 - HB2 SER 9 lone 9 99 - 9 - 2941/4.0=3, 8326/1.8=2 HG LEU 70 - HB2 SER 9 lone 7 97 - 7 - 8326/1.8=1, ~8326=1, 9545/8416=1 HD3 LYS 24 - HB2 SER 9 lone 7 94 - 7 - 8326/1.8=1 HD2 LYS 24 - HB2 SER 9 lone 6 92 - 7 - 8326/1.8=1, ~8326=1 HD3 LYS 90 - HB2 SER 9 lone 4 94 - 5 - HG2 PRO 86 - HB2 SER 9 lone 4 84 - 5 - 9545/8416=1 HD3 LYS 33 - HB2 SER 9 lone 3 61 - 4 - 8316/4.0=1 HD2 LYS 33 - HB2 SER 9 lone 3 61 - 4 - 8316/4.0=1 Peak 8321 from cnoeabs.peaks (1.43, 2.99, 64.26 ppm; 5.25 A): 2 out of 7 assignments used, quality = 0.98: HG12 ILE 7 + HB2 SER 9 OK 93 98 - 95 - 2.1/8325=37, ~8331=28...(22) HG13 ILE 76 + HB2 SER 9 OK 66 98 - 68 - 3.2/9653=16, 3.8/335=11...(16) HG2 LYS 13 - HB2 SER 9 OK 23 100 - 23 - 3.0/8320=3, 3.0/8320=3...(10) HG2 LYS 12 - HB2 SER 9 OK 20 77 - 26 - 4.7/6150=6, 3.0/8320=5...(7) QB ALA 22 - HB2 SER 9 OK 18 99 - 18 - 8587/4.0=9, 277/8325=1...(4) HG LEU 29 - HB2 SER 9 lone 10 99 - 10 - 253/8267=2, 277/8325=2 HG3 LYS 39 - HB2 SER 9 lone 7 90 - 8 - 3430/9653=1 Peak 8322 from cnoeabs.peaks (0.89, 2.99, 64.26 ppm; 4.68 A): 3 out of 5 assignments used, quality = 0.99: HG13 ILE 7 + HB2 SER 9 OK 91 99 - 92 - 2.1/8325=32, ~8331=23...(19) QG2 ILE 76 + HB2 SER 9 OK 74 98 - 76 - 9653=18, 3.2/335=11...(22) HG13 ILE 8 + HB2 SER 9 OK 73 100 - 73 - 4.1/8342=20, 3.1/8323=14...(16) QD1 LEU 2 - HB2 SER 9 OK 22 97 - 23 - 3.1/8320=3, 6106/4.0=3...(8) QG1 VAL 32 - HB2 SER 9 poor 7 65 - 10 - 8328/1.8=2, ~1396=1...(4) Peak 8323 from cnoeabs.peaks (0.78, 2.99, 64.26 ppm; 3.48 A): 4 out of 9 assignments used, quality = 0.85: QG2 ILE 8 + HB2 SER 9 OK 54 99 - 54 - 8329/1.8=14, 4.1/6109=11...(12) QG2 ILE 7 + HB2 SER 9 OK 49 73 - 67 - 3.0/8325=15, 8267=12...(19) QD1 ILE 76 + HB2 SER 9 OK 24 65 - 37 - 3.2/9653=7, 4.2/335=5...(15) QG2 ILE 52 + HB2 SER 9 OK 13 99 - 13 - 8329/1.8=3, 6104/4.0=2...(4) QD1 ILE 93 - HB2 SER 9 lone 5 84 - 6 - 8329/1.8=2, ~10030=1 QD2 LEU 57 - HB2 SER 9 lone 5 84 - 6 - 6104/4.0=1 QD1 LEU 6 - HB2 SER 9 lone 4 87 - 5 - 8329/1.8=2 QD2 LEU 42 - HB2 SER 9 lone 4 73 - 6 - 8329/1.8=1, 4.0/1907=1 QD1 LEU 27 - HB2 SER 9 lone 4 81 - 4 - 8329/1.8=1 Peak 8324 from cnoeabs.peaks (0.71, 2.99, 64.26 ppm; 3.69 A): 5 out of 9 assignments used, quality = 0.93: QD2 LEU 14 + HB2 SER 9 OK 69 100 - 69 - 8414=17, ~8403=13...(18) QD1 ILE 8 + HB2 SER 9 OK 55 100 - 55 - 4.1/8342=12, 3.0/8323=10...(14) QD1 ILE 56 + HB2 SER 9 OK 23 100 - 23 - 8330/1.8=4, 3.0/8325=4...(7) HG13 ILE 56 + HB2 SER 9 OK 21 99 - 22 - 3.2/8325=4, 8330/1.8=4...(5) QG1 VAL 58 + HB2 SER 9 OK 16 92 - 17 - 10226/1.8=4, ~10227=4 QD1 ILE 52 - HB2 SER 9 poor 9 73 - 12 - 3.1/8323=2, ~8329=2...(5) QG2 VAL 78 - HB2 SER 9 lone 4 90 - 5 - QG1 VAL 5 - HB2 SER 9 lone 3 73 - 4 - QD2 LEU 27 - HB2 SER 9 lone 3 61 - 4 - Peak 8325 from cnoeabs.peaks (0.61, 2.99, 64.26 ppm; 4.58 A): 2 out of 2 assignments used, quality = 0.89: QD1 ILE 7 + HB2 SER 9 OK 86 97 - 89 - 8331/1.8=32, 3.0/8267=22...(22) QG2 ILE 56 + HB2 SER 9 OK 19 81 - 23 - 8331/1.8=6, 3.0/8324=4...(6) Peak 8326 from cnoeabs.peaks (1.71, 3.92, 64.26 ppm; 4.98 A): 8 out of 15 assignments used, quality = 0.89: HG12 ILE 15 + HB3 SER 9 OK 53 87 - 62 - ~8442=20, 2.1/10417=20...(8) HD3 LYS 12 + HB3 SER 9 OK 24 99 - 25 - 8320/1.8=5, ~8320=4...(8) HD2 LYS 12 + HB3 SER 9 OK 24 99 - 25 - 8320/1.8=5, ~8320=4...(8) HB2 LEU 2 + HB3 SER 9 OK 21 99 - 21 - 8320/1.8=4, 8286/8331=3...(7) HD3 LYS 66 + HB3 SER 9 OK 16 99 - 16 - 2941/4.0=3, 3.6/2884=3...(5) HD3 LYS 13 + HB3 SER 9 OK 15 100 - 15 - 8320/1.8=3, ~8320=2...(4) HD2 LYS 13 + HB3 SER 9 OK 15 99 - 15 - 8320/1.8=3, ~8320=2...(4) HB3 LEU 70 + HB3 SER 9 OK 12 92 - 13 - 9544/10409=3, 8316/4.0=3 HG LEU 70 - HB3 SER 9 lone 9 97 - 10 - 9545/10409=2, 8320/1.8=2 HD3 LYS 24 - HB3 SER 9 lone 9 94 - 9 - 8320/1.8=1, ~8320=1 HD2 LYS 24 - HB3 SER 9 lone 8 92 - 9 - 8320/1.8=1, ~8320=1 HG2 PRO 86 - HB3 SER 9 lone 6 84 - 7 - 9545/10409=2 HD3 LYS 90 - HB3 SER 9 lone 5 94 - 5 - HD3 LYS 33 - HB3 SER 9 lone 3 61 - 6 - 8316/4.0=2 HD2 LYS 33 - HB3 SER 9 lone 3 61 - 6 - 8316/4.0=2 Peak 8327 from cnoeabs.peaks (1.41, 3.92, 64.26 ppm; 6.50 A): 1 out of 2 assignments used, quality = 0.75: HG12 ILE 7 + HB3 SER 9 OK 75 77 - 98 - 2.1/8331=42, ~8325=37...(22) QB ALA 71 - HB3 SER 9 lone 8 100 - 8 - Peak 8328 from cnoeabs.peaks (0.89, 3.92, 64.26 ppm; 4.91 A): 3 out of 5 assignments used, quality = 0.99: HG13 ILE 7 + HB3 SER 9 OK 94 100 - 94 - 2.1/8331=34, ~8325=25...(21) HG13 ILE 8 + HB3 SER 9 OK 74 97 - 76 - 3.1/8329=18, 4.1/8344=14...(18) QG2 ILE 76 + HB3 SER 9 OK 66 90 - 74 - 9653/1.8=15, 3.2/340=11...(24) QD1 LEU 2 - HB3 SER 9 OK 19 87 - 22 - 8322/1.8=3, 6106/4.0=3...(7) QG1 VAL 32 - HB3 SER 9 OK 12 84 - 14 - 8942/10409=2, ~1396=2...(7) Peak 8329 from cnoeabs.peaks (0.78, 3.92, 64.26 ppm; 3.60 A): 4 out of 9 assignments used, quality = 0.73: QG2 ILE 8 + HB3 SER 9 OK 53 92 - 58 - 8323/1.8=12, 4.1/6110=11...(13) QD1 ILE 15 + HB3 SER 9 OK 24 70 - 34 - 8442/2.8=6, 8445/1.8=6...(9) QG2 ILE 52 + HB3 SER 9 OK 13 100 - 13 - 8323/1.8=3, 6104/4.0=2...(4) QG1 VAL 54 + HB3 SER 9 OK 11 77 - 14 - ~9237=3, 2504/4.6=2...(6) QD1 ILE 93 - HB3 SER 9 lone 6 97 - 6 - ~10030=1, 11003/4.6=1 QD1 LEU 6 - HB3 SER 9 lone 6 98 - 6 - QD2 LEU 42 - HB3 SER 9 lone 6 92 - 6 - 4.7/6667=2 QD1 LEU 27 - HB3 SER 9 lone 5 96 - 5 - QD2 LEU 57 - HB3 SER 9 lone 3 61 - 5 - 6104/4.0=1, 8323/1.8=1 Peak 8330 from cnoeabs.peaks (0.71, 3.92, 64.26 ppm; 3.83 A): 6 out of 9 assignments used, quality = 0.95: QD2 LEU 14 + HB3 SER 9 OK 68 100 - 68 - 2.1/10409=17, ~8403=15...(16) QD1 ILE 8 + HB3 SER 9 OK 59 100 - 59 - 3.0/8329=13, 8324/1.8=11...(15) QD1 ILE 56 + HB3 SER 9 OK 24 100 - 24 - 8324/1.8=4, 3.0/8331=4...(8) QG1 VAL 58 + HB3 SER 9 OK 23 92 - 25 - 4.2/8349=6, 10226=5...(7) HG13 ILE 56 + HB3 SER 9 OK 22 99 - 22 - 8324/1.8=4, 3.2/8331=3...(7) QD1 ILE 52 + HB3 SER 9 OK 10 73 - 14 - 3.1/8329=3, 8324/1.8=2...(5) QG2 VAL 78 - HB3 SER 9 lone 5 90 - 5 - QD2 LEU 27 - HB3 SER 9 lone 3 61 - 5 - 2.1/8329=1 QG1 VAL 5 - HB3 SER 9 lone 3 73 - 4 - Peak 8331 from cnoeabs.peaks (0.61, 3.92, 64.26 ppm; 4.66 A): 2 out of 2 assignments used, quality = 0.90: QD1 ILE 7 + HB3 SER 9 OK 88 97 - 91 - 8325/1.8=33, 8259=22...(22) QG2 ILE 56 + HB3 SER 9 OK 17 81 - 21 - 8325/1.8=7, 3.0/8330=4...(6) Peak 8341 from cnoeabs.peaks (6.05, 4.43, 58.24 ppm; 4.25 A): 2 out of 2 assignments used, quality = 0.85: HG SER 9 + HA SER 9 OK 81 81 - 100 - 4.1=100 HG SER 9 + HA ILE 76 OK 23 64 - 36 - 2.8/335=10, 2.8/340=10...(7) Peak 8342 from cnoeabs.peaks (4.62, 2.99, 64.26 ppm; 5.71 A): 1 out of 1 assignment used, quality = 0.83: HA ILE 8 + HB2 SER 9 OK 83 92 - 90 - 6102/4.0=35...(17) Peak 8343 from cnoeabs.peaks (6.06, 2.99, 64.26 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HG SER 9 + HB2 SER 9 OK 100 100 - 100 - 2.8=100 Peak 8344 from cnoeabs.peaks (4.61, 3.92, 64.26 ppm; 5.15 A): 2 out of 4 assignments used, quality = 0.96: HA ILE 8 + HB3 SER 9 OK 89 100 - 89 - 6102/4.0=36, 8342/1.8=28...(16) HA ASP 11 + HB3 SER 9 OK 67 77 - 87 - 3.0/10388=31, ~8372=26...(16) HB THR 34 - HB3 SER 9 lone 6 73 - 8 - 4.0/8763=4 HA HIS 105 - HB3 SER 9 lone 2 65 - 3 - Peak 8345 from cnoeabs.peaks (6.05, 3.92, 64.26 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.99: HG SER 9 + HB3 SER 9 OK 99 99 - 100 - 2.8=100 Peak 8347 from cnoeabs.peaks (8.79, 4.43, 58.24 ppm; 4.94 A): 4 out of 4 assignments used, quality = 0.91: H ILE 8 + HA SER 9 OK 71 94 - 75 - 6101/2.9=25, ~6102=21...(11) H ILE 8 + HA ILE 76 OK 37 77 - 47 - 9629/3.2=19, 4.6/6108=8...(12) H SER 59 + HA SER 9 OK 36 94 - 38 - 8349/3.0=12, 6101/2.9=11...(5) H SER 59 + HA ILE 76 OK 24 77 - 30 - 9629/3.2=8, 4.0/9405=6...(9) Peak 8349 from cnoeabs.peaks (8.79, 3.92, 64.26 ppm; 5.24 A): 2 out of 2 assignments used, quality = 0.93: H ILE 8 + HB3 SER 9 OK 83 99 - 84 - 6101/4.0=24, ~8342=23...(16) H SER 59 + HB3 SER 9 OK 56 99 - 57 - 9402=19, 6101/4.0=10...(15) Peak 8351 from cnoeabs.peaks (6.00, 2.93, 39.13 ppm; 5.23 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8352 from cnoeabs.peaks (4.43, 2.75, 39.13 ppm; 5.27 A): 3 out of 7 assignments used, quality = 0.87: HA GLU 48 + HB3 ASN 10 OK 61 100 - 61 - 8354/1.8=17, ~10617=13...(11) HA SER 9 + HB3 ASN 10 OK 59 100 - 60 - 3.6/6119=38...(4) HA ILE 76 + HB3 ASN 10 OK 18 100 - 18 - 6114/4.0=7, 8354/1.8=5 HB THR 84 - HB3 ASN 10 lone 8 90 - 8 - 8354/1.8=2, 10387/4.6=1 HA MET 21 - HB3 ASN 10 poor 8 65 - 11 - 8354/1.8=2, ~6335=1, ~964=1 HA ALA 25 - HB3 ASN 10 lone 4 73 - 5 - 8354/1.8=1 HA VAL 32 - HB3 ASN 10 lone 3 65 - 4 - Peak 8353 from cnoeabs.peaks (4.60, 2.75, 39.13 ppm; 5.45 A): 2 out of 5 assignments used, quality = 0.90: HA ASP 11 + HB3 ASN 10 OK 86 100 - 86 - 3.0/364=42, ~357=31...(9) HA ILE 8 + HB3 ASN 10 OK 31 84 - 37 - 10385/4.0=18, 8355/1.8=9...(5) HB THR 34 - HB3 ASN 10 lone 6 100 - 5 - 8355/1.8=2, 6142/4.6=2 HA THR 84 - HB3 ASN 10 lone 5 61 - 8 - 3.0/8352=2, 8355/1.8=2...(4) HA HIS 105 - HB3 ASN 10 lone 5 99 - 5 - 8355/1.8=1, 6142/4.6=1 Peak 8354 from cnoeabs.peaks (4.43, 2.93, 39.13 ppm; 4.99 A): 3 out of 7 assignments used, quality = 0.85: HA GLU 48 + HB2 ASN 10 OK 62 100 - 62 - 3.0/10617=14...(12) HA SER 9 + HB2 ASN 10 OK 53 100 - 54 - 3.6/6118=31...(4) HA ILE 76 + HB2 ASN 10 OK 18 100 - 18 - 6114/4.0=6, 8352/1.8=4...(4) HA MET 21 - HB2 ASN 10 poor 7 65 - 11 - 8352/1.8=2, 3.6/6349=1...(4) HB THR 84 - HB2 ASN 10 lone 7 90 - 8 - 8352/1.8=2, 10387/4.6=1 HA ALA 25 - HB2 ASN 10 lone 4 73 - 5 - HA VAL 32 - HB2 ASN 10 lone 3 65 - 4 - Peak 8355 from cnoeabs.peaks (4.60, 2.93, 39.13 ppm; 5.65 A): 2 out of 5 assignments used, quality = 0.92: HA ASP 11 + HB2 ASN 10 OK 88 100 - 88 - 3.0/357=43, ~364=34...(8) HA ILE 8 + HB2 ASN 10 OK 33 84 - 40 - 10385/4.0=20...(5) HB THR 34 - HB2 ASN 10 lone 6 100 - 6 - 8353/1.8=2, 6142/4.6=2 HA THR 84 - HB2 ASN 10 lone 5 61 - 9 - 3.0/8354=2, 8353/1.8=2...(4) HA HIS 105 - HB2 ASN 10 lone 5 99 - 5 - 8353/1.8=2, 6142/4.6=1 Peak 8356 from cnoeabs.peaks (0.76, 4.94, 52.22 ppm; 3.73 A): 3 out of 10 assignments used, quality = 0.75: QD1 ILE 15 + HA ASN 10 OK 49 99 - 49 - 8449=37, 8439/3.6=10...(5) HG13 ILE 15 + HA ASN 10 OK 38 94 - 40 - 2.1/8449=30, 8435/3.6=5...(6) QG1 VAL 54 + HA ASN 10 OK 22 100 - 22 - 2504/3.0=6, 4.1/344=5...(8) QD1 ILE 93 - HA ASN 10 lone 9 98 - 9 - 8357/3.0=2, 11003/3.0=2 QG2 ILE 93 - HA ASN 10 lone 8 84 - 9 - ~8357=2, 8359/3.0=1...(5) QD2 LEU 42 - HA ASN 10 lone 3 100 - 3 - 10389/3.6=1 QD1 LEU 6 - HA ASN 10 lone 2 97 - 2 - QG2 ILE 52 - HA ASN 10 lone 2 77 - 3 - 10389/3.6=1, 8357/3.0=1 QD1 LEU 27 - HA ASN 10 lone 2 99 - 2 - QG1 VAL 78 - HA ASN 10 lone 1 65 - 1 - Peak 8357 from cnoeabs.peaks (0.78, 2.93, 39.13 ppm; 4.92 A): 4 out of 9 assignments used, quality = 0.59: QD1 ILE 15 + HB2 ASN 10 OK 24 61 - 40 - 8449/3.0=16, 10389/4.6=9...(7) QD1 ILE 93 + HB2 ASN 10 OK 21 94 - 22 - 10024=4, 3.1/10012=3...(9) QG2 ILE 8 + HB2 ASN 10 OK 18 96 - 19 - 3.2/8355=6, ~8353=5...(4) QG1 VAL 54 + HB2 ASN 10 OK 16 70 - 23 - 4.1/351=9, 8356/3.0=4...(5) QG2 ILE 52 - HB2 ASN 10 lone 10 100 - 10 - 9039/10617=2...(4) QD2 LEU 42 - HB2 ASN 10 lone 5 87 - 5 - 10389/4.6=2 QD1 LEU 6 - HB2 ASN 10 lone 4 96 - 5 - 10389/4.6=1 QD1 LEU 27 - HB2 ASN 10 lone 3 92 - 3 - QD2 LEU 57 - HB2 ASN 10 lone 1 70 - 2 - Peak 8358 from cnoeabs.peaks (2.43, 2.75, 39.13 ppm; 5.41 A): 4 out of 7 assignments used, quality = 0.89: HB2 ASP 11 + HB3 ASN 10 OK 64 98 - 65 - 4.0/364=36, 3.0/8353=22...(4) HG3 GLU 48 + HB3 ASN 10 OK 58 100 - 59 - ~10617=14, 8360/1.8=12...(11) HG3 GLU 17 + HB3 ASN 10 OK 16 100 - 16 - 6143/4.6=5, 764/4.0=3 HG3 GLN 50 + HB3 ASN 10 OK 12 99 - 12 - 8360/1.8=3, 6143/4.6=2 HG2 GLN 72 - HB3 ASN 10 lone 6 100 - 6 - 6143/4.6=2, 8360/1.8=1 HG3 GLU 99 - HB3 ASN 10 lone 6 87 - 7 - 8360/1.8=2, 6143/4.6=1 HG3 MET 1 - HB3 ASN 10 lone 6 96 - 6 - Peak 8359 from cnoeabs.peaks (0.75, 2.75, 39.13 ppm; 5.41 A): 6 out of 12 assignments used, quality = 0.94: QD1 ILE 15 + HB3 ASN 10 OK 62 99 - 63 - 8449/3.0=44, 8439/4.6=17...(6) HG13 ILE 15 + HB3 ASN 10 OK 59 100 - 59 - ~8449=31, ~8356=12...(6) QG1 VAL 54 + HB3 ASN 10 OK 29 97 - 30 - 4.1/358=10, 2504/4.0=8...(6) QG2 ILE 93 + HB3 ASN 10 OK 23 99 - 23 - ~8357=6, 10012/1.8=4...(7) HG13 ILE 93 + HB3 ASN 10 OK 17 90 - 18 - ~8357=7, ~10024=4...(5) QD1 ILE 93 + HB3 ASN 10 OK 13 77 - 17 - 10024/1.8=3, 8356/3.0=3...(7) QD2 LEU 42 - HB3 ASN 10 lone 4 87 - 5 - 10389/4.6=2 QD1 LEU 6 - HB3 ASN 10 lone 3 73 - 4 - 10389/4.6=1 QD1 LEU 27 - HB3 ASN 10 lone 3 81 - 4 - QG1 VAL 78 - HB3 ASN 10 lone 2 94 - 2 - QD1 LEU 64 - HB3 ASN 10 lone 2 84 - 2 - HG3 ARG 81 - HB3 ASN 10 lone 1 77 - 2 - Peak 8360 from cnoeabs.peaks (2.44, 2.93, 39.13 ppm; 4.93 A): 4 out of 7 assignments used, quality = 0.84: HB2 ASP 11 + HB2 ASN 10 OK 56 99 - 57 - 4.0/6138=31, 3.0/8355=17...(4) HG3 GLU 48 + HB2 ASN 10 OK 53 96 - 56 - 3.0/10617=14...(11) HG3 GLU 17 + HB2 ASN 10 OK 14 96 - 14 - 6143/4.6=4, 764/4.0=3 HG3 GLN 50 + HB2 ASN 10 OK 11 98 - 11 - 6143/4.6=2, 8358/1.8=2 HG3 GLU 99 - HB2 ASN 10 lone 6 100 - 6 - 6143/4.6=1 HG2 GLN 72 - HB2 ASN 10 lone 5 84 - 6 - 6143/4.6=1, 8358/1.8=1 HG3 MET 1 - HB2 ASN 10 lone 4 61 - 6 - 4.2/8005=1 Peak 8362 from cnoeabs.peaks (1.90, 2.43, 40.97 ppm; 4.05 A): 3 out of 11 assignments used, quality = 0.92: HB3 LEU 14 + HB2 ASP 11 OK 83 100 - 83 - 8396/4.0=17, 3.8/8377=15...(17) HB ILE 8 + HB2 ASP 11 OK 43 98 - 45 - 8365/1.8=9, 290/3.0=8...(11) HB3 LYS 13 + HB2 ASP 11 OK 22 84 - 27 - 4.6/8377=13, 4.0/8376=6...(5) HB2 LYS 13 - HB2 ASP 11 OK 20 77 - 26 - 4.6/8377=13, 4.0/8376=6...(5) HB VAL 54 - HB2 ASP 11 OK 13 73 - 18 - ~9237=4, 2.1/9238=3...(7) HG LEU 42 - HB2 ASP 11 OK 13 99 - 13 - 8365/1.8=3, 2.1/8364=2...(5) HB2 ARG 19 - HB2 ASP 11 lone 4 94 - 5 - 8365/1.8=1 HB2 GLU 43 - HB2 ASP 11 lone 4 99 - 4 - HB2 LYS 20 - HB2 ASP 11 lone 3 87 - 3 - HB3 LYS 33 - HB2 ASP 11 lone 2 81 - 3 - HB2 LYS 33 - HB2 ASP 11 lone 2 73 - 2 - Peak 8363 from cnoeabs.peaks (1.52, 2.43, 40.97 ppm; 4.55 A): 2 out of 11 assignments used, quality = 0.94: HB2 LEU 14 + HB2 ASP 11 OK 89 100 - 89 - 3.8/8377=20, 1.8/8362=18...(19) HB ILE 7 + HB2 ASP 11 OK 45 100 - 45 - ~8267=8, 8397/4.0=8...(12) HG12 ILE 56 - HB2 ASP 11 OK 17 96 - 18 - 8366/1.8=3, 2.1/8364=3...(9) HG LEU 6 - HB2 ASP 11 OK 11 100 - 11 - 8366/1.8=2, 8371/4.0=2...(4) HG LEU 2 - HB2 ASP 11 lone 8 96 - 8 - 2.1/8056=2, 8371/4.0=1 HG3 ARG 30 - HB2 ASP 11 lone 4 97 - 4 - HG2 ARG 79 - HB2 ASP 11 lone 3 90 - 3 - HG3 ARG 79 - HB2 ASP 11 lone 3 87 - 3 - HB3 LEU 103 - HB2 ASP 11 lone 2 100 - 2 - HG3 LYS 24 - HB2 ASP 11 lone 3 77 - 3 - HG3 LYS 33 - HB2 ASP 11 lone 2 61 - 3 - Peak 8364 from cnoeabs.peaks (0.70, 2.43, 40.97 ppm; 4.29 A): 3 out of 8 assignments used, quality = 0.93: QD2 LEU 14 + HB2 ASP 11 OK 78 90 - 88 - 8400/4.0=21, 8414/1.8=15...(20) QD1 LEU 14 + HB2 ASP 11 OK 48 57 - 83 - 4.8/8377=15, 2.1/8415=14...(20) QD1 ILE 8 + HB2 ASP 11 OK 39 87 - 45 - 3.2/8362=6, 8369/4.0=6...(11) QD1 ILE 56 - HB2 ASP 11 OK 14 92 - 16 - 2.1/8363=3, ~8366=2...(5) QD1 LEU 42 - HB2 ASP 11 OK 13 94 - 14 - 8367/1.8=3, 2.1/8362=2...(5) HG13 ILE 56 - HB2 ASP 11 OK 10 70 - 15 - 1.8/8363=3, ~8366=2...(5) QD1 ILE 52 - HB2 ASP 11 lone 9 100 - 9 - 9175=2, 8367/1.8=1 QD2 LEU 6 - HB2 ASP 11 lone 8 90 - 9 - 2.1/8363=2, 8367/1.8=2, ~8366=2 Peak 8365 from cnoeabs.peaks (1.90, 2.99, 40.97 ppm; 4.12 A): 5 out of 9 assignments used, quality = 0.95: HB3 LEU 14 + HB3 ASP 11 OK 82 98 - 84 - 8396/4.0=17, 3.8/8379=16...(17) HB ILE 8 + HB3 ASP 11 OK 49 100 - 50 - 290/3.0=9, 8362/1.8=8...(13) HB3 LYS 13 + HB3 ASP 11 OK 19 65 - 29 - 4.6/8379=14, 4.0/8378=5...(6) HB VAL 54 + HB3 ASP 11 OK 18 90 - 20 - 2.1/9237=5, ~9238=3...(6) HG LEU 42 + HB3 ASP 11 OK 15 100 - 15 - 2.1/8367=2, 8362/1.8=2...(6) HB2 ARG 19 - HB3 ASP 11 lone 6 99 - 6 - HB2 GLU 43 - HB3 ASP 11 lone 4 92 - 4 - HB2 LYS 20 - HB3 ASP 11 lone 4 97 - 4 - HB3 LYS 33 - HB3 ASP 11 lone 2 61 - 3 - Peak 8366 from cnoeabs.peaks (1.53, 2.99, 40.97 ppm; 4.63 A): 4 out of 11 assignments used, quality = 0.92: HB2 LEU 14 + HB3 ASP 11 OK 80 90 - 90 - 3.8/8379=21, 1.8/8365=19...(19) HB ILE 7 + HB3 ASP 11 OK 43 90 - 49 - 2.1/8267=11, 8363/1.8=8...(13) HG12 ILE 56 + HB3 ASP 11 OK 17 100 - 17 - 8363/1.8=3, 2.1/8367=2...(6) HG LEU 6 + HB3 ASP 11 OK 12 96 - 12 - 8363/1.8=2, 2.1/8367=2...(4) HG LEU 2 - HB3 ASP 11 lone 6 65 - 10 - 8363/1.8=1, 8371/4.0=1, ~8056=1 HG3 ARG 30 - HB3 ASP 11 lone 5 100 - 5 - HG2 ARG 79 - HB3 ASP 11 lone 4 100 - 4 - HG3 ARG 79 - HB3 ASP 11 lone 4 100 - 4 - HB3 LEU 103 - HB3 ASP 11 lone 3 92 - 3 - HG2 LYS 33 - HB3 ASP 11 lone 2 77 - 2 - HD3 LYS 53 - HB3 ASP 11 lone 1 61 - 1 - Peak 8367 from cnoeabs.peaks (0.69, 2.99, 40.97 ppm; 4.39 A): 6 out of 8 assignments used, quality = 0.95: QD1 LEU 14 + HB3 ASP 11 OK 68 77 - 88 - 2.1/8414=16, 4.8/8379=15...(21) QD2 LEU 14 + HB3 ASP 11 OK 64 73 - 87 - 4.8/8379=15, 8400/4.0=15...(19) QD1 ILE 8 + HB3 ASP 11 OK 33 70 - 47 - 3.2/8365=8, 8364/1.8=7...(11) QD1 LEU 42 + HB3 ASP 11 OK 16 99 - 16 - 2.1/8365=3, 8364/1.8=2...(5) QD1 ILE 56 + HB3 ASP 11 OK 13 77 - 17 - 2.1/8366=3, 8364/1.8=3...(5) QD2 LEU 6 + HB3 ASP 11 OK 10 98 - 10 - 2.1/8366=2, ~8363=1, 8364/1.8=1 QD1 ILE 52 - HB3 ASP 11 lone 7 100 - 7 - 9175/1.8=2 QG2 VAL 58 - HB3 ASP 11 lone 5 70 - 7 - 6201/8379=1 Peak 8368 from cnoeabs.peaks (1.89, 4.60, 53.23 ppm; 4.17 A): 5 out of 9 assignments used, quality = 0.89: HB3 LEU 14 + HA ASP 11 OK 63 73 - 86 - ~8400=14, 3.1/8425=13...(25) HB ILE 8 + HA ASP 11 OK 47 94 - 51 - 290=8, 8365/3.0=6...(17) HB3 LYS 12 + HA ASP 11 OK 23 57 - 40 - 4.0/369=29, ~388=3...(10) HB VAL 54 + HA ASP 11 OK 17 100 - 17 - ~9237=3, ~9238=3...(7) HG LEU 42 + HA ASP 11 OK 11 92 - 12 - 8365/3.0=2, 8370/3.0=2...(6) HB2 ARG 19 - HA ASP 11 lone 4 98 - 4 - HB2 LYS 20 - HA ASP 11 lone 3 100 - 3 - HB3 LYS 68 - HA ASP 11 lone 2 77 - 2 - HB3 GLU 104 - HA ASP 11 lone 1 73 - 1 - Peak 8374 from cnoeabs.peaks (6.06, 2.43, 40.97 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.70: HG SER 9 + HB2 ASP 11 OK 70 100 - 70 - 8372/4.0=36, 8375/1.8=25...(9) Peak 8375 from cnoeabs.peaks (6.05, 2.99, 40.97 ppm; 5.72 A): 1 out of 1 assignment used, quality = 0.80: HG SER 9 + HB3 ASP 11 OK 80 96 - 84 - 8374/1.8=40, 8372/4.0=34...(12) Peak 8376 from cnoeabs.peaks (8.07, 2.43, 40.97 ppm; 5.14 A): 5 out of 6 assignments used, quality = 0.93: H ILE 15 + HB2 ASP 11 OK 68 100 - 69 - 4.6/8377=22, 8461/1.8=19...(8) H LYS 13 + HB2 ASP 11 OK 63 100 - 63 - 6163/4.5=32, 4.6/8377=22...(13) H GLU 17 + HB2 ASP 11 OK 22 87 - 25 - 8378/1.8=4, 6259/4.0=3...(11) H LYS 39 + HB2 ASP 11 OK 16 96 - 17 - 6160/4.5=5, 4.6/8377=3 H GLU 75 + HB2 ASP 11 OK 12 100 - 12 - 6160/4.5=2, 8378/1.8=2 H SER 102 - HB2 ASP 11 lone 3 73 - 4 - Peak 8377 from cnoeabs.peaks (7.54, 2.43, 40.97 ppm; 5.23 A): 2 out of 2 assignments used, quality = 0.74: H LEU 14 + HB2 ASP 11 OK 71 84 - 85 - 8379/1.8=35, 8394/4.0=20...(13) H LEU 38 + HB2 ASP 11 OK 11 96 - 11 - 8379/1.8=5, 4.6/8376=2 Peak 8378 from cnoeabs.peaks (8.07, 2.99, 40.97 ppm; 5.91 A): 2 out of 6 assignments used, quality = 0.96: H ILE 15 + HB3 ASP 11 OK 83 99 - 84 - 4.6/8379=28, 8461=18...(12) H LYS 13 + HB3 ASP 11 OK 75 99 - 77 - 6163/4.5=37, 4.6/8379=28...(18) H GLU 17 - HB3 ASP 11 OK 29 97 - 30 - 8376/1.8=6, 6259/4.0=5...(11) H LYS 39 - HB3 ASP 11 OK 20 84 - 23 - 6160/4.5=6, 4.6/8379=4 H GLU 75 - HB3 ASP 11 OK 15 98 - 15 - 8376/1.8=3, 6160/4.5=3...(4) H SER 102 - HB3 ASP 11 lone 5 90 - 6 - Peak 8379 from cnoeabs.peaks (7.54, 2.99, 40.97 ppm; 5.22 A): 2 out of 2 assignments used, quality = 0.76: H LEU 14 + HB3 ASP 11 OK 73 84 - 88 - 8377/1.8=35, 8394/4.0=20...(13) H LEU 38 + HB3 ASP 11 OK 11 96 - 11 - 8377/1.8=6, 4.6/8378=2 Peak 8381 from cnoeabs.peaks (0.76, 3.85, 59.58 ppm; 3.13 A): 4 out of 10 assignments used, quality = 0.86: QD1 ILE 15 + HA LYS 12 OK 60 99 - 61 - 3.2/392=15, 8446=12...(19) HG13 ILE 15 + HA LYS 12 OK 53 94 - 57 - 2.9/392=17, 2.1/8446=9...(19) QD1 LEU 27 + HA LYS 12 OK 19 99 - 19 - 10484/3.0=3, 10484/3.0=3...(7) QG1 VAL 54 + HA LYS 12 OK 10 100 - 10 - 10658=4 QD2 LEU 42 - HA LYS 12 lone 9 100 - 9 - 8924=2 QD1 ILE 93 - HA LYS 12 lone 6 98 - 6 - QG2 ILE 93 - HA LYS 12 lone 5 84 - 6 - QG2 ILE 52 - HA LYS 12 lone 4 77 - 5 - QG1 VAL 78 - HA LYS 12 lone 2 65 - 4 - QD1 LEU 6 - HA LYS 12 lone 2 97 - 2 - Peak 8385 from cnoeabs.peaks (0.86, 4.15, 58.53 ppm; 5.27 A): 3 out of 6 assignments used, quality = 0.64: QD1 LEU 38 + HA LYS 13 OK 45 99 - 45 - 3.1/493=8, 1665/2.9=7...(13) QD2 LEU 64 + HA GLN 72 OK 27 66 - 41 - 2841/3.0=8, ~2833=7...(8) QD2 LEU 64 + HA LYS 13 OK 12 98 - 12 - 12320/10790=1...(4) QD1 LEU 38 - HA GLN 72 lone 7 68 - 10 - 12320/10790=2, 10626/3.9=1 QD1 LEU 103 - HA LYS 13 lone 5 96 - 5 - 1640/493=1 QD1 LEU 103 - HA GLN 72 lone 4 63 - 7 - 12320/10790=2, 10626/3.9=1 Peak 8386 from cnoeabs.peaks (0.71, 4.15, 58.53 ppm; 4.50 A): 7 out of 16 assignments used, quality = 0.88: QD2 LEU 14 + HA LYS 13 OK 67 98 - 69 - 626/3.6=17, 4.9/6208=11...(21) QG2 VAL 78 + HA GLN 72 OK 21 64 - 34 - 10292/5.0=16...(4) QD1 ILE 8 + HA LYS 13 OK 18 99 - 18 - 6202/3.6=5, 8384/2.9=5 QD2 LEU 14 + HA GLN 72 OK 16 66 - 24 - 9558/3.0=5, 4.9/6208=3...(7) HG13 ILE 56 + HA LYS 13 OK 15 100 - 15 - 6202/3.6=5, 8384/2.9=2...(6) QD1 ILE 56 + HA LYS 13 OK 13 97 - 14 - 6202/3.6=5, ~8384=2, 8384/2.9=2 QG1 VAL 58 + HA LYS 13 OK 12 98 - 12 - 6202/3.6=4, 8384/2.9=2 QD2 LEU 27 - HA GLN 72 poor 9 47 - 19 - 4.7/8637=7, 9558/3.0=5...(5) QG2 VAL 78 - HA LYS 13 lone 9 97 - 9 - 8384/2.9=2, 10292/3.9=1 QG1 VAL 58 - HA GLN 72 poor 7 66 - 11 - 9558/3.0=3, ~9393=2, 4.2/6963=1 QG1 VAL 5 - HA LYS 13 lone 7 87 - 8 - 8384/2.9=2, 10192/3.9=2 QD2 LEU 27 - HA LYS 13 lone 6 77 - 8 - 8384/2.9=2, ~8383=2...(4) QD1 ILE 8 - HA GLN 72 lone 6 67 - 9 - 9558/3.0=3 QG1 VAL 5 - HA GLN 72 poor 6 54 - 11 - 9558/3.0=4, 10292/5.0=2...(4) HG13 ILE 56 - HA GLN 72 lone 4 70 - 6 - 9558/3.0=2, ~9558=1 QD1 ILE 56 - HA GLN 72 lone 4 64 - 6 - 9558/3.0=2, ~9558=1 Peak 8387 from cnoeabs.peaks (0.68, 1.91, 31.45 ppm; 5.28 A): 3 out of 10 assignments used, quality = 0.92: QD1 LEU 14 + HB3 LYS 13 OK 70 97 - 72 - 618/4.6=17, 12014/3.0=9...(24) QD1 LEU 14 + HB2 LYS 13 OK 69 96 - 72 - 618/4.6=17, 12014/3.0=9...(23) QD1 LEU 42 + HB2 LYS 13 OK 19 98 - 19 - 6201/4.6=4, ~8915=2...(6) QD1 LEU 42 - HB3 LYS 13 OK 19 99 - 19 - 6201/4.6=4, ~8915=2...(5) QG2 VAL 58 - HB3 LYS 13 OK 13 94 - 14 - 6201/4.6=7, ~8386=2 QG2 VAL 58 - HB2 LYS 13 OK 13 92 - 14 - 6201/4.6=7, ~8386=2 QD2 LEU 6 - HB3 LYS 13 lone 9 100 - 9 - 6201/4.6=4 QD2 LEU 6 - HB2 LYS 13 lone 9 99 - 9 - 6201/4.6=4 QD1 ILE 52 - HB3 LYS 13 lone 7 92 - 7 - 6201/4.6=1 QD1 ILE 52 - HB2 LYS 13 lone 6 90 - 7 - 6201/4.6=1 Peak 8391 from cnoeabs.peaks (3.67, 4.15, 58.53 ppm; 5.17 A): 5 out of 8 assignments used, quality = 0.92: HA LEU 14 + HA LYS 13 OK 79 96 - 83 - 3.6/6208=19, ~6182=17...(22) HB THR 80 + HA LYS 13 OK 26 99 - 26 - 6197/3.6=10, 8389/2.9=6...(6) HA LYS 90 + HA LYS 13 OK 25 99 - 25 - 8389/2.9=6, 6197/3.6=6...(6) HA GLU 88 + HA LYS 13 OK 23 77 - 30 - 8393/3.0=6, 8393/3.0=6...(10) HA LEU 14 + HA GLN 72 OK 13 63 - 21 - 3.6/6208=6, 3.0/6188=5...(4) HB THR 80 - HA GLN 72 poor 9 67 - 13 - 9704/3.0=3...(3) HA LYS 90 - HA GLN 72 lone 6 67 - 9 - ~9557=2, 6245/10427=1 HA GLU 88 - HA GLN 72 lone 4 47 - 7 - 3868/5.7=1, 3.0/493=1 Peak 8392 from cnoeabs.peaks (3.87, 4.15, 58.53 ppm; 4.33 A): 8 out of 18 assignments used, quality = 0.89: HA LYS 12 + HA LYS 13 OK 56 90 - 62 - ~6163=15, 391/2.9=15...(21) HA LEU 38 + HA LYS 13 OK 32 96 - 33 - 3.8/8385=9, 3.0/493=7...(9) HA2 GLY 101 + HA LYS 13 OK 21 100 - 21 - 3.0/10099=11, 6164/2.9=2...(5) HA LYS 40 + HA LYS 13 OK 19 100 - 19 - ~6618=3, 6164/2.9=3...(6) HA2 GLY 100 + HA LYS 13 OK 15 100 - 15 - 3.6/10099=10, 6186/3.6=1 HA LYS 94 + HA LYS 13 OK 14 100 - 14 - 4172/3.0=2, 6164/2.9=2...(4) HA ALA 67 + HA GLN 72 OK 12 54 - 21 - 4.8/10791=5, 7169/3.0=4...(6) HA LYS 94 + HA GLN 72 OK 10 70 - 15 - ~7168=3, ~10824=3...(4) HB3 SER 49 - HA LYS 13 lone 7 94 - 8 - 6164/2.9=2, 6186/3.6=2 HA LYS 12 - HA GLN 72 poor 7 57 - 12 - 3.6/6173=4, 9579/3.6=2 HA ALA 67 - HA LYS 13 lone 7 87 - 8 - 6186/3.6=2, 6164/2.9=2 HA LYS 40 - HA GLN 72 lone 6 70 - 8 - 1778/3.6=3 HA LEU 38 - HA GLN 72 lone 5 63 - 9 - 1623/3.6=2, 3.8/8385=1 HA GLU 43 - HA LYS 13 lone 5 70 - 8 - 3.0/493=1 HA2 GLY 101 - HA GLN 72 lone 4 70 - 6 - 3.0/10099=3 HA2 GLY 100 - HA GLN 72 lone 4 70 - 5 - 3.6/10099=2 HB3 SER 49 - HA GLN 72 lone 3 61 - 5 - HA GLU 43 - HA GLN 72 lone 1 41 - 2 - Peak 8393 from cnoeabs.peaks (3.66, 1.92, 31.45 ppm; 5.40 A): 6 out of 6 assignments used, quality = 0.72: HA GLU 88 + HB2 LYS 13 OK 30 100 - 30 - 3870/3.0=5, 8389/4.0=4...(13) HA GLU 88 + HB3 LYS 13 OK 30 99 - 30 - 3870/3.0=5, 8389/4.0=4...(13) HA LYS 90 + HB2 LYS 13 OK 17 96 - 17 - 8389/4.0=5, 8391/3.0=3...(5) HA LYS 90 + HB3 LYS 13 OK 16 94 - 17 - 8389/4.0=5, 8391/3.0=3...(5) HB THR 80 + HB2 LYS 13 OK 10 65 - 16 - 8389/4.0=5, 6197/4.6=5 HB THR 80 + HB3 LYS 13 OK 10 64 - 16 - 8389/4.0=5, 6197/4.6=5 Peak 8395 from cnoeabs.peaks (8.66, 3.68, 59.00 ppm; 5.10 A): 2 out of 3 assignments used, quality = 0.91: H ALA 18 + HA LEU 14 OK 75 98 - 77 - 6262=20, 4.6/593=17...(12) H ASP 11 + HA LEU 14 OK 65 87 - 75 - 8400/4.0=20, 8396/3.0=19...(10) H ASN 10 - HA LEU 14 lone 4 57 - 8 - 10410/4.3=2 Peak 8396 from cnoeabs.peaks (8.68, 1.90, 41.23 ppm; 5.19 A): 1 out of 1 assignment used, quality = 0.93: H ASP 11 + HB3 LEU 14 OK 93 100 - 93 - 8400/3.1=41, 8398/3.1=38...(14) Peak 8397 from cnoeabs.peaks (8.68, 1.52, 41.23 ppm; 5.38 A): 2 out of 2 assignments used, quality = 0.98: H ASP 11 + HB2 LEU 14 OK 96 100 - 96 - 8400/3.1=43, 8396/1.8=43...(16) H ASP 11 + HB ILE 7 OK 56 90 - 63 - 8247/2.9=32, 8371=12...(11) Peak 8398 from cnoeabs.peaks (8.68, 0.68, 25.64 ppm; 4.58 A): 1 out of 1 assignment used, quality = 0.89: H ASP 11 + QD1 LEU 14 OK 89 100 - 90 - 8400/2.1=41, 8396/3.1=26...(16) Peak 8399 from cnoeabs.peaks (9.19, 0.68, 25.64 ppm; 5.52 A): 2 out of 3 assignments used, quality = 0.85: H ILE 56 + QD1 LEU 14 OK 62 100 - 62 - 9319/4.0=9, 9318/2.1=8...(16) H THR 84 + QD1 LEU 14 OK 60 81 - 74 - 4.6/10413=18...(13) H GLU 35 - QD1 LEU 14 lone 6 87 - 7 - 4.4/8425=2 Peak 8400 from cnoeabs.peaks (8.68, 0.71, 24.35 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.86: H ASP 11 + QD2 LEU 14 OK 86 100 - 86 - 8398/2.1=32, 8369=23...(16) Peak 8401 from cnoeabs.peaks (6.04, 0.71, 24.35 ppm; 4.83 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8402 from cnoeabs.peaks (7.43, 0.68, 25.64 ppm; 4.40 A): 3 out of 3 assignments used, quality = 0.76: H ALA 89 + QD1 LEU 14 OK 63 100 - 63 - 9925/2.1=13, 8404/2.1=11...(24) HE3 TRP 92 + QD1 LEU 14 OK 21 100 - 21 - 8404/2.1=5, 8433/2.1=4...(8) HE22 GLN 72 + QD1 LEU 14 OK 17 84 - 20 - 8404/2.1=5, 8433/2.1=4...(6) Peak 8403 from cnoeabs.peaks (6.06, 0.68, 25.64 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.71: HG SER 9 + QD1 LEU 14 OK 71 100 - 71 - 2.8/10409=20...(14) Peak 8404 from cnoeabs.peaks (7.43, 1.35, 28.11 ppm; 5.69 A): 3 out of 4 assignments used, quality = 0.86: H ALA 89 + HG LEU 14 OK 71 96 - 74 - 8402/2.1=29, 8433/2.1=17...(21) HE3 TRP 92 + HG LEU 14 OK 31 100 - 31 - 8402/2.1=10, 8433/2.1=8...(7) HE22 GLN 72 + HG LEU 14 OK 30 96 - 31 - 8433/2.1=9, 8402/2.1=8...(7) HE ARG 19 - HG LEU 14 lone 5 61 - 8 - 8433/2.1=1, 4.8/613=1 Peak 8405 from cnoeabs.peaks (2.98, 1.90, 41.23 ppm; 4.39 A): 5 out of 10 assignments used, quality = 0.93: HB3 ASP 11 + HB3 LEU 14 OK 66 77 - 85 - 4.0/8396=21, 1.8/8362=17...(17) HB2 SER 9 + HB3 LEU 14 OK 59 87 - 68 - ~8403=15, 8414/3.1=12...(17) HB2 PHE 45 + HB3 LEU 14 OK 27 99 - 27 - 8995/3.1=5, 8461/4.4=4...(10) HB3 PHE 45 + HB3 LEU 14 OK 21 87 - 24 - ~8995=4, ~8416=3...(10) HE2 LYS 13 + HB3 LEU 14 OK 10 61 - 17 - 6195/3.8=4, 7.3/609=3...(6) HE2 LYS 47 - HB3 LEU 14 lone 9 99 - 9 - 8414/3.1=1, 8416/3.1=1 HE3 LYS 47 - HB3 LEU 14 lone 9 99 - 9 - 8414/3.1=1, 8416/3.1=1 HE3 LYS 12 - HB3 LEU 14 lone 8 81 - 10 - 6195/3.8=2, ~8410=1, ~8432=1 HE2 LYS 24 - HB3 LEU 14 poor 7 70 - 10 - 6.2/8420=4, 6195/3.8=1 HE3 LYS 24 - HB3 LEU 14 poor 7 70 - 10 - 6.2/8420=4, 6195/3.8=1 Peak 8406 from cnoeabs.peaks (2.43, 1.90, 41.23 ppm; 4.58 A): 2 out of 7 assignments used, quality = 0.96: HB2 ASP 11 + HB3 LEU 14 OK 90 100 - 90 - 4.0/8396=23, 8377/3.8=20...(17) HG3 GLU 17 + HB3 LEU 14 OK 61 99 - 62 - ~593=10, 8478/3.0=10...(14) HG3 GLU 48 - HB3 LEU 14 OK 22 99 - 23 - 8417/3.1=4, 8415/3.1=4...(8) HG2 GLN 72 - HB3 LEU 14 OK 20 94 - 21 - 8415/3.1=4, 8417/3.1=3...(7) HG3 GLU 99 - HB3 LEU 14 OK 13 99 - 12 - 8418/3.8=3, 8415/3.1=2...(5) HG3 GLN 50 - HB3 LEU 14 OK 11 100 - 11 - 8415/3.1=2, ~9103=2...(4) HG3 MET 1 - HB3 LEU 14 OK 11 77 - 14 - ~8027=3, ~593=2, ~592=2...(7) Peak 8407 from cnoeabs.peaks (4.09, 1.35, 28.11 ppm; 3.78 A): 3 out of 4 assignments used, quality = 0.86: HA PRO 86 + HG LEU 14 OK 76 100 - 76 - 8411/2.1=24, 8412/2.1=16...(16) HA LYS 24 + HG LEU 14 OK 30 92 - 33 - 8411/2.1=9, 8412/2.1=8...(8) HA LYS 66 + HG LEU 14 OK 18 84 - 21 - 8411/2.1=5, 8412/2.1=4...(8) HA ARG 46 - HG LEU 14 lone 4 70 - 6 - 8411/2.1=1 Peak 8408 from cnoeabs.peaks (3.97, 1.35, 28.11 ppm; 5.49 A): 2 out of 3 assignments used, quality = 0.99: HD3 PRO 86 + HG LEU 14 OK 93 97 - 96 - 3.6/8407=26...(28) HD2 PRO 86 + HG LEU 14 OK 92 96 - 96 - 3.6/8407=26...(28) HB3 SER 97 - HG LEU 14 lone 5 77 - 6 - Peak 8409 from cnoeabs.peaks (3.27, 1.35, 28.11 ppm; 5.54 A): 1 out of 1 assignment used, quality = 0.83: HA ILE 15 + HG LEU 14 OK 83 90 - 93 - 8413/2.1=39...(24) Peak 8410 from cnoeabs.peaks (3.00, 1.35, 28.11 ppm; 5.15 A): 2 out of 4 assignments used, quality = 0.98: HB3 ASP 11 + HG LEU 14 OK 91 100 - 91 - 8379/4.9=21, 8365/3.0=18...(19) HB2 SER 9 + HG LEU 14 OK 81 99 - 81 - ~8403=27, ~10409=20...(18) HB2 PHE 45 - HG LEU 14 OK 28 87 - 32 - 8995/2.1=6, 8414/2.1=5...(9) HE2 LYS 12 - HG LEU 14 OK 14 87 - 17 - 12269/4.9=5, 8432/3.0=2...(5) Peak 8411 from cnoeabs.peaks (4.09, 0.68, 25.64 ppm; 3.44 A): 3 out of 4 assignments used, quality = 0.88: HA PRO 86 + QD1 LEU 14 OK 80 100 - 80 - 9881=27, 8407/2.1=17...(18) HA LYS 24 + QD1 LEU 14 OK 30 92 - 32 - 8407/2.1=7, 8412/2.1=7...(8) HA LYS 66 + QD1 LEU 14 OK 16 84 - 19 - 8407/2.1=4, 8412/2.1=3...(5) HA ARG 46 - QD1 LEU 14 lone 4 70 - 5 - Peak 8412 from cnoeabs.peaks (4.10, 0.71, 24.35 ppm; 4.32 A): 3 out of 3 assignments used, quality = 0.93: HA PRO 86 + QD2 LEU 14 OK 84 98 - 86 - 8411/2.1=27, 8407/2.1=24...(16) HA LYS 24 + QD2 LEU 14 OK 43 99 - 43 - 8411/2.1=10, 8407/2.1=10...(11) HA LYS 66 + QD2 LEU 14 OK 20 65 - 30 - 3.0/10412=7, 8407/2.1=6...(7) Peak 8413 from cnoeabs.peaks (3.26, 0.71, 24.35 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.84: HA ILE 15 + QD2 LEU 14 OK 84 100 - 84 - 12020=27, 12021/2.1=20...(23) Peak 8414 from cnoeabs.peaks (2.99, 0.71, 24.35 ppm; 3.62 A): 4 out of 6 assignments used, quality = 0.93: HB3 ASP 11 + QD2 LEU 14 OK 72 96 - 76 - 4.0/8400=18, 1.8/8415=10...(19) HB2 SER 9 + QD2 LEU 14 OK 66 99 - 67 - 8324=16, ~8403=13...(16) HB2 PHE 45 + QD2 LEU 14 OK 21 100 - 21 - 8416/2.1=4, 8461/4.9=3...(9) HB3 PHE 45 + QD2 LEU 14 OK 11 61 - 17 - ~8995=3, ~8416=3...(8) HE3 LYS 47 - QD2 LEU 14 lone 7 87 - 7 - 8416/2.1=1 HE2 LYS 47 - QD2 LEU 14 lone 7 87 - 7 - 8416/2.1=1 Peak 8415 from cnoeabs.peaks (2.43, 0.71, 24.35 ppm; 4.56 A): 2 out of 7 assignments used, quality = 0.95: HB2 ASP 11 + QD2 LEU 14 OK 92 100 - 92 - 4.0/8400=29, 1.8/8414=19...(20) HG3 GLU 17 + QD2 LEU 14 OK 43 99 - 43 - 8406/3.1=8, 8478/4.0=8...(9) HG3 GLU 48 - QD2 LEU 14 OK 29 99 - 29 - 8417/2.1=5, 9044=5...(9) HG2 GLN 72 - QD2 LEU 14 OK 26 94 - 28 - 3.5/8433=5, 8417/2.1=4...(9) HG3 GLU 99 - QD2 LEU 14 OK 14 99 - 14 - 8418/4.8=2, 8417/2.1=2...(6) HG3 GLN 50 - QD2 LEU 14 OK 13 100 - 13 - 2.9/9103=3, 8417/2.1=2...(6) HG3 MET 1 - QD2 LEU 14 poor 8 77 - 10 - 8417/2.1=2, ~8027=2...(4) Peak 8416 from cnoeabs.peaks (2.98, 0.68, 25.64 ppm; 4.12 A): 3 out of 7 assignments used, quality = 0.96: HB3 ASP 11 + QD1 LEU 14 OK 80 92 - 87 - 4.0/8398=21, 8414/2.1=16...(21) HB2 SER 9 + QD1 LEU 14 OK 72 97 - 74 - 2.8/8403=26...(16) HB2 PHE 45 + QD1 LEU 14 OK 35 100 - 35 - 8995=7, 8414/2.1=5...(15) HB3 PHE 45 - QD1 LEU 14 OK 20 70 - 29 - 1.8/8995=6, 3.0/8997=4...(13) HE3 LYS 47 - QD1 LEU 14 lone 9 92 - 10 - 8414/2.1=2, 8405/3.1=1, ~8414=1 HE2 LYS 47 - QD1 LEU 14 lone 9 92 - 10 - 8414/2.1=2, 8405/3.1=1, ~8414=1 HE3 LYS 12 - QD1 LEU 14 lone 5 61 - 9 - ~8410=1, 3.0/10404=1...(4) Peak 8417 from cnoeabs.peaks (2.43, 0.68, 25.64 ppm; 4.64 A): 2 out of 7 assignments used, quality = 0.95: HB2 ASP 11 + QD1 LEU 14 OK 92 99 - 92 - 4.0/8398=27, 8377/4.8=17...(21) HG3 GLU 17 + QD1 LEU 14 OK 45 100 - 45 - 8478/4.0=9, 8406/3.1=8...(11) HG3 GLU 48 - QD1 LEU 14 OK 33 100 - 33 - 4.1/9037=6, 3.0/9040=5...(10) HG2 GLN 72 - QD1 LEU 14 OK 26 99 - 26 - 3.5/8402=5, 8415/2.1=4...(7) HG3 GLN 50 - QD1 LEU 14 OK 13 100 - 13 - ~9103=2, 8415/2.1=2...(4) HG3 GLU 99 - QD1 LEU 14 OK 13 92 - 14 - 8415/2.1=2, 8406/3.1=2...(5) HG3 MET 1 - QD1 LEU 14 OK 12 92 - 13 - 12333/9883=2, ~8027=2...(5) Peak 8420 from cnoeabs.peaks (4.11, 1.90, 41.23 ppm; 6.14 A): 2 out of 4 assignments used, quality = 0.83: HA PRO 86 + HB3 LEU 14 OK 65 73 - 89 - 8422/3.0=32, 8412/3.1=23...(14) HA LYS 24 + HB3 LEU 14 OK 51 99 - 52 - 8422/3.0=16, 8412/3.1=12...(11) HA GLU 62 - HB3 LEU 14 lone 8 77 - 10 - ~10740=5, ~10407=1 HA GLU 99 - HB3 LEU 14 lone 5 70 - 7 - 4.1/8406=2, ~10412=2 Peak 8421 from cnoeabs.peaks (4.61, 1.90, 41.23 ppm; 6.10 A): 2 out of 4 assignments used, quality = 0.99: HA ASP 11 + HB3 LEU 14 OK 91 92 - 99 - 3.0/8396=43, ~8400=31...(27) HA ILE 8 + HB3 LEU 14 OK 88 99 - 89 - 8419/3.8=12, 285/3.0=11...(35) HB THR 34 - HB3 LEU 14 OK 15 90 - 16 - 8419/3.8=4, ~8755=3...(5) HA HIS 105 - HB3 LEU 14 lone 5 84 - 6 - 8419/3.8=1 Peak 8422 from cnoeabs.peaks (4.10, 3.68, 59.00 ppm; 4.10 A): 2 out of 2 assignments used, quality = 0.73: HA PRO 86 + HA LEU 14 OK 62 90 - 69 - 8411/4.0=14, 8412/4.0=13...(14) HA LYS 24 + HA LEU 14 OK 31 100 - 31 - 8412/4.0=7, 8420/3.0=6...(7) Peak 8424 from cnoeabs.peaks (5.13, 0.68, 25.64 ppm; 4.20 A): 4 out of 4 assignments used, quality = 0.94: HA SER 85 + QD1 LEU 14 OK 75 99 - 76 - 9867=20, 3.0/10413=16...(15) HA ILE 7 + QD1 LEU 14 OK 63 100 - 64 - 8427/2.1=11...(22) HA TYR 4 + QD1 LEU 14 OK 23 90 - 25 - 3.0/8148=6, 3.0/8145=4...(8) HA LEU 3 + QD1 LEU 14 OK 17 99 - 17 - 8427/2.1=3, 242/3.1=1...(4) Peak 8425 from cnoeabs.peaks (4.59, 0.68, 25.64 ppm; 4.40 A): 2 out of 5 assignments used, quality = 0.95: HA ASP 11 + QD1 LEU 14 OK 91 99 - 92 - 3.0/8398=30, ~8400=21...(27) HA THR 84 + QD1 LEU 14 OK 43 87 - 49 - 3.6/10413=16...(7) HA ILE 8 - QD1 LEU 14 OK 37 57 - 65 - 3.0/621=8, 8426/2.1=6...(25) HB THR 34 - QD1 LEU 14 OK 12 99 - 12 - 8426/2.1=2, 8419/4.8=2, ~8755=1 HA HIS 105 - QD1 LEU 14 lone 4 100 - 3 - Peak 8426 from cnoeabs.peaks (4.59, 0.71, 24.35 ppm; 5.31 A): 2 out of 5 assignments used, quality = 0.98: HA ASP 11 + QD2 LEU 14 OK 97 99 - 98 - 3.0/8400=43, ~8398=28...(26) HA ILE 8 + QD2 LEU 14 OK 46 57 - 81 - 3.6/10412=12, 3.0/629=9...(29) HA THR 84 - QD2 LEU 14 OK 45 87 - 52 - ~9835=13, ~8399=11...(7) HB THR 34 - QD2 LEU 14 OK 16 99 - 16 - 8425/2.1=3, 8419/4.8=2...(6) HA HIS 105 - QD2 LEU 14 lone 5 100 - 5 - Peak 8427 from cnoeabs.peaks (5.13, 0.71, 24.35 ppm; 4.89 A): 2 out of 4 assignments used, quality = 0.94: HA ILE 7 + QD2 LEU 14 OK 79 99 - 80 - 3.9/12015=16...(30) HA SER 85 + QD2 LEU 14 OK 71 94 - 76 - 9867/2.1=19, 4.8/8412=15...(12) HA TYR 4 - QD2 LEU 14 OK 21 73 - 28 - ~8148=6, 8424/2.1=6...(7) HA LEU 3 - QD2 LEU 14 OK 20 100 - 20 - 8424/2.1=4, 258/12015=2...(8) Peak 8428 from cnoeabs.peaks (2.45, 3.68, 59.00 ppm; 5.28 A): 1 out of 2 assignments used, quality = 0.48: HB3 TYR 4 + HA LEU 14 OK 48 99 - 49 - 8418/3.0=32, 8148/4.0=9...(5) HG3 GLU 99 - HA LEU 14 poor 9 77 - 11 - 8418/3.0=7 Peak 8429 from cnoeabs.peaks (0.80, 1.90, 41.23 ppm; 5.31 A): 6 out of 9 assignments used, quality = 1.00: QG2 ILE 7 + HB3 LEU 14 OK 91 100 - 91 - ~247=13, 3.0/8273=11...(36) QG2 ILE 8 + HB3 LEU 14 OK 79 90 - 89 - 3.2/8421=12, 3.1/307=9...(39) QG2 ILE 15 + HB3 LEU 14 OK 72 87 - 83 - ~8413=23, ~8409=19...(18) QD1 ILE 76 + HB3 LEU 14 OK 57 100 - 57 - 10878/3.0=12, 4.7/602=10...(13) QD2 LEU 70 + HB3 LEU 14 OK 52 92 - 57 - 3.1/8430=10, ~9544=9...(20) QD2 LEU 2 + HB3 LEU 14 OK 47 90 - 53 - ~12275=4, 2.1/604=4...(24) QD1 LEU 70 - HB3 LEU 14 OK 35 65 - 54 - 3.1/8430=10, ~9544=9...(20) QD2 LEU 57 - HB3 LEU 14 OK 32 100 - 32 - 10696/3.1=4, 10696/3.1=3...(11) QG2 ILE 52 - HB3 LEU 14 OK 13 61 - 20 - 3.1/607=1, 10397/3.8=1, ~2348=1 Peak 8430 from cnoeabs.peaks (1.73, 1.90, 41.23 ppm; 4.72 A): 5 out of 7 assignments used, quality = 0.92: HB ILE 15 + HB3 LEU 14 OK 75 100 - 75 - 6217/4.4=19, ~8413=19...(18) HB3 LEU 70 + HB3 LEU 14 OK 45 90 - 51 - 9544/3.1=13, ~9543=6...(22) HD2 LYS 90 + HB3 LEU 14 OK 17 84 - 21 - 6217/4.4=4, 5.2/603=4...(8) HD3 LYS 33 + HB3 LEU 14 OK 17 100 - 16 - 6217/4.4=3, 3.0/604=1 HD2 LYS 33 + HB3 LEU 14 OK 17 100 - 16 - 6217/4.4=3, 3.0/604=1 HD2 ARG 81 - HB3 LEU 14 lone 4 100 - 4 - 6217/4.4=2 HB2 GLU 28 - HB3 LEU 14 lone 2 73 - 2 - Peak 8431 from cnoeabs.peaks (2.43, 1.52, 41.23 ppm; 4.61 A): 2 out of 14 assignments used, quality = 0.96: HB2 ASP 11 + HB2 LEU 14 OK 90 100 - 91 - 8363=24, 8377/3.8=20...(19) HG3 GLU 17 + HB2 LEU 14 OK 61 100 - 61 - 8406/1.8=11, 8478/3.0=10...(12) HB2 ASP 11 - HB ILE 7 OK 44 91 - 49 - 8363=12, ~8267=8...(12) HG3 GLU 48 - HB2 LEU 14 OK 22 100 - 22 - 8417/3.1=4, 8415/3.1=4...(8) HG2 GLN 72 - HB2 LEU 14 OK 22 98 - 22 - 8415/3.1=4, 8417/3.1=3...(7) HG3 MET 1 - HB2 LEU 14 OK 14 87 - 16 - 3.3/8027=4, ~593=2...(7) HG3 GLU 99 - HB2 LEU 14 OK 11 96 - 11 - 8406/1.8=2, 8418/3.8=2...(5) HG3 GLN 50 - HB2 LEU 14 OK 11 100 - 11 - 8406/1.8=2, 8415/3.1=2...(4) HG3 GLU 17 - HB ILE 7 poor 10 91 - 11 - 10430/2.1=2, ~10428=1 HG3 GLU 48 - HB ILE 7 lone 8 91 - 9 - ~9038=1, 10430/2.1=1 HG3 MET 1 - HB ILE 7 lone 7 74 - 10 - 3.3/8027=4, ~8028=2 HG2 GLN 72 - HB ILE 7 lone 7 87 - 7 - ~10846=2, ~12298=1, ~10842=1 HG3 GLN 50 - HB ILE 7 lone 4 91 - 4 - HG3 GLU 99 - HB ILE 7 lone 2 83 - 3 - Peak 8432 from cnoeabs.peaks (3.00, 1.52, 41.23 ppm; 4.32 A): 3 out of 8 assignments used, quality = 0.99: HB3 ASP 11 + HB2 LEU 14 OK 88 100 - 88 - 8379/3.8=18, 1.8/8363=17...(19) HB2 SER 9 + HB ILE 7 OK 74 87 - 85 - 8267/2.1=24, 8325/3.2=22...(18) HB2 SER 9 + HB2 LEU 14 OK 68 98 - 69 - ~8403=15, 8324/3.1=12...(17) HB3 ASP 11 - HB ILE 7 OK 44 90 - 49 - 8267/2.1=10, 1.8/8363=9...(12) HB2 PHE 45 - HB2 LEU 14 OK 25 81 - 30 - 8461/4.4=4, 8995/3.1=4...(12) HB2 PHE 45 - HB ILE 7 OK 14 68 - 21 - 8267/2.1=4, 8258/2.9=3...(5) HE2 LYS 12 - HB2 LEU 14 OK 13 92 - 14 - 12269/3.8=5, 8410/3.0=2 HE2 LYS 12 - HB ILE 7 OK 11 79 - 14 - 8267/2.1=3, 8262/3.2=2...(4) Peak 8433 from cnoeabs.peaks (7.43, 0.71, 24.35 ppm; 6.05 A): 3 out of 4 assignments used, quality = 0.89: H ALA 89 + QD2 LEU 14 OK 74 92 - 80 - 8402/2.1=29, 8404/2.1=22...(22) HE22 GLN 72 + QD2 LEU 14 OK 37 98 - 38 - 8404/2.1=9, 8402/2.1=8...(9) HE3 TRP 92 + QD2 LEU 14 OK 36 99 - 36 - 8404/2.1=10, 8402/2.1=10...(7) HE ARG 19 - QD2 LEU 14 lone 6 70 - 8 - 4.8/629=2, 8404/2.1=2 Peak 8434 from cnoeabs.peaks (8.90, 3.26, 65.94 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.95: H ARG 19 + HA ILE 15 OK 92 99 - 93 - 6277=49, 3.6/772=41...(15) H ASP 77 + HA ILE 15 OK 35 97 - 36 - 10415/3.2=11, 4.6/8441=7...(8) Peak 8435 from cnoeabs.peaks (8.67, 0.75, 29.43 ppm; 6.06 A): 2 out of 2 assignments used, quality = 0.92: H ALA 18 + HG13 ILE 15 OK 73 90 - 81 - 6263/4.1=35, 8439/2.1=22...(15) H ASP 11 + HG13 ILE 15 OK 72 97 - 74 - 8439/2.1=27, ~8448=22...(10) Peak 8436 from cnoeabs.peaks (7.79, 0.76, 13.00 ppm; 4.67 A): 4 out of 6 assignments used, quality = 0.67: H SER 9 + QD1 ILE 15 OK 31 65 - 48 - 5.0/8442=17...(7) H GLU 28 + QD1 ILE 15 OK 25 99 - 26 - 6453=4, 4.5/8663=3...(11) H LYS 20 + QD1 ILE 15 OK 24 100 - 24 - 6296/8439=3, 3.6/8509=3...(9) H LYS 66 + QD1 ILE 15 OK 15 94 - 16 - 9506/3.0=2, 4.0/8466=2 HE ARG 30 - QD1 ILE 15 lone 5 99 - 5 - 7.4/8713=1, 4.0/8721=1 H GLU 99 - QD1 ILE 15 lone 5 100 - 5 - Peak 8437 from cnoeabs.peaks (7.56, 0.76, 13.00 ppm; 5.65 A): 4 out of 4 assignments used, quality = 0.89: H LEU 14 + QD1 ILE 15 OK 69 97 - 71 - 6209/5.0=22, 8440/3.2=15...(17) H ILE 76 + QD1 ILE 15 OK 49 100 - 49 - 6209/5.0=13, 8440/3.2=11...(11) H GLU 88 + QD1 ILE 15 OK 17 87 - 20 - 8440/3.2=4, 8441/4.2=3...(5) H LYS 24 + QD1 ILE 15 OK 15 81 - 18 - 8440/3.2=3, 4.6/8613=2...(5) Peak 8438 from cnoeabs.peaks (8.56, 0.76, 13.00 ppm; 5.32 A): 2 out of 4 assignments used, quality = 0.95: H LYS 12 + QD1 ILE 15 OK 93 100 - 93 - 3.6/8448=22, ~392=17...(28) H GLN 50 + QD1 ILE 15 OK 27 90 - 30 - 3.6/8447=14, 4.3/8446=5...(4) H VAL 58 - QD1 ILE 15 lone 5 70 - 8 - ~10703=1, 9771/9802=1 H ASP 61 - QD1 ILE 15 lone 2 65 - 3 - Peak 8439 from cnoeabs.peaks (8.67, 0.76, 13.00 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.91: H ASP 11 + QD1 ILE 15 OK 76 97 - 79 - 3.6/8449=33, 3.0/8448=18...(14) H ALA 18 + QD1 ILE 15 OK 61 90 - 68 - 6263/4.2=23, 8435/2.1=11...(16) Peak 8440 from cnoeabs.peaks (7.56, 1.73, 37.98 ppm; 5.83 A): 4 out of 4 assignments used, quality = 0.92: H LEU 14 + HB ILE 15 OK 74 97 - 77 - 6209/4.0=27, 6204/4.5=22...(12) H ILE 76 + HB ILE 15 OK 55 100 - 56 - 6209/4.0=16, 8441/3.0=13...(11) H GLU 88 + HB ILE 15 OK 19 87 - 22 - 8437/3.2=4, 8441/3.0=4...(5) H LYS 24 + HB ILE 15 OK 13 81 - 16 - 8437/3.2=4, 8441/3.0=2 Peak 8441 from cnoeabs.peaks (7.56, 3.26, 65.94 ppm; 5.85 A): 2 out of 4 assignments used, quality = 0.97: H LEU 14 + HA ILE 15 OK 89 97 - 92 - 4.8/8413=38, 6209/3.0=29...(17) H ILE 76 + HA ILE 15 OK 68 100 - 68 - 6209/3.0=17, 8440/3.0=12...(16) H GLU 88 - HA ILE 15 OK 21 87 - 23 - 8440/3.0=4, 8437/4.2=4...(7) H LYS 24 - HA ILE 15 OK 12 81 - 15 - 8437/4.2=3, 8440/3.0=3 Peak 8442 from cnoeabs.peaks (6.05, 0.76, 13.00 ppm; 5.72 A): 1 out of 1 assignment used, quality = 0.64: HG SER 9 + QD1 ILE 15 OK 64 97 - 66 - 2.8/10417=29...(8) Peak 8443 from cnoeabs.peaks (6.11, 0.81, 17.32 ppm; 6.07 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8444 from cnoeabs.peaks (2.99, 0.75, 29.43 ppm; 4.67 A): 4 out of 6 assignments used, quality = 0.91: HB2 SER 9 + HG13 ILE 15 OK 67 100 - 67 - ~10417=18, ~8442=18...(11) HB3 ASP 11 + HG13 ILE 15 OK 47 99 - 48 - ~8448=13, 8445/2.1=13...(7) HE2 LYS 12 + HG13 ILE 15 OK 37 65 - 57 - 8445/2.1=12, 4.0/10853=6...(18) HB2 PHE 45 + HG13 ILE 15 OK 22 98 - 22 - 4.5/676=6, 8461/4.6=5 HE3 LYS 47 - HG13 ILE 15 lone 6 77 - 7 - 8461/4.6=1, 3.8/10852=1 HE2 LYS 47 - HG13 ILE 15 lone 6 77 - 7 - 8461/4.6=1, 3.8/10852=1 Peak 8445 from cnoeabs.peaks (2.99, 0.76, 13.00 ppm; 3.83 A): 4 out of 4 assignments used, quality = 0.87: HB2 SER 9 + QD1 ILE 15 OK 53 100 - 53 - 1.8/10417=15...(11) HB3 ASP 11 + QD1 ILE 15 OK 44 100 - 44 - 3.0/8448=11, 4.0/8439=10...(9) HE2 LYS 12 + QD1 ILE 15 OK 42 84 - 50 - 4.8/8466=5, 4.8/8466=5...(18) HB2 PHE 45 + QD1 ILE 15 OK 14 90 - 16 - 4.5/684=5, 8444/2.1=3 Peak 8446 from cnoeabs.peaks (3.86, 0.76, 13.00 ppm; 3.47 A): 8 out of 9 assignments used, quality = 0.91: HA LYS 12 + QD1 ILE 15 OK 68 96 - 71 - 392/3.2=17, 8381=16...(19) HB3 SER 49 + QD1 ILE 15 OK 26 98 - 27 - 3.0/8447=7, 9072=4...(11) HA2 GLY 101 + QD1 ILE 15 OK 25 100 - 25 - 3.0/684=5, 644/3.2=3...(10) HA LYS 40 + QD1 ILE 15 OK 17 100 - 17 - 1771/2.1=2, 4.8/10417=2...(6) HA ALA 71 + QD1 ILE 15 OK 14 70 - 20 - 644/3.2=3, 10121/3.0=3...(9) HA LYS 94 + QD1 ILE 15 OK 13 100 - 12 - 8450/2.1=1, 3.0/7511=1 HA LEU 38 + QD1 ILE 15 OK 11 90 - 12 - 3.6/677=2, 8450/2.1=1...(5) HA2 GLY 100 + QD1 ILE 15 OK 11 100 - 11 - 3.6/684=5, 644/3.2=1...(4) HA ALA 67 - QD1 ILE 15 lone 9 94 - 9 - 644/3.2=1, 9524/3.0=1 Peak 8447 from cnoeabs.peaks (4.24, 0.76, 13.00 ppm; 4.78 A): 2 out of 2 assignments used, quality = 0.77: HB THR 31 + QD1 ILE 15 OK 61 99 - 61 - 2.1/8467=22, ~10123=18...(8) HA SER 49 + QD1 ILE 15 OK 42 100 - 42 - 9057=10, 9057/2.1=7...(11) Peak 8448 from cnoeabs.peaks (4.59, 0.76, 13.00 ppm; 5.58 A): 2 out of 5 assignments used, quality = 0.72: HA ASP 11 + QD1 ILE 15 OK 69 99 - 69 - 3.6/8438=25, 3.0/8439=24...(10) HA ILE 8 + QD1 ILE 15 OK 12 57 - 22 - 3.6/8436=11, 6142/8439=2...(7) HB THR 34 - QD1 ILE 15 lone 5 99 - 5 - HA THR 84 - QD1 ILE 15 lone 3 87 - 3 - HA HIS 105 - QD1 ILE 15 lone 3 100 - 3 - Peak 8449 from cnoeabs.peaks (4.93, 0.76, 13.00 ppm; 4.07 A): 0 out of 1 assignment used, low quality = 0.43: HA ASN 10 - QD1 ILE 15 OK 43 99 - 44 - 8356=17, 3.6/8439=13...(7) Peak 8450 from cnoeabs.peaks (3.87, 0.75, 29.43 ppm; 4.90 A): 4 out of 10 assignments used, quality = 0.92: HA LYS 12 + HG13 ILE 15 OK 71 84 - 85 - 392/2.9=22, 8446/2.1=17...(27) HA2 GLY 101 + HG13 ILE 15 OK 43 100 - 43 - 3.0/676=9, ~684=7...(10) HB3 SER 49 + HG13 ILE 15 OK 37 90 - 41 - ~8447=9, 8446/2.1=6...(11) HA LYS 40 + HG13 ILE 15 OK 23 100 - 23 - 8446/2.1=4, 6206/4.6=3...(8) HA LEU 38 - HG13 ILE 15 OK 21 98 - 21 - 1622/4.6=4, 8446/2.1=3...(8) HA LYS 94 - HG13 ILE 15 OK 19 100 - 19 - 8446/2.1=3, 3.0/7508=2...(7) HA2 GLY 100 - HG13 ILE 15 OK 18 100 - 18 - 3.6/676=8, 8446/2.1=3...(4) HA ALA 67 - HG13 ILE 15 OK 12 81 - 14 - 8446/2.1=2, 6206/4.6=2...(6) HA GLU 43 - HG13 ILE 15 poor 8 77 - 10 - ~6691=1, ~10610=1...(4) HA GLU 35 - HG13 ILE 15 lone 3 61 - 5 - Peak 8451 from cnoeabs.peaks (3.02, 3.26, 65.94 ppm; 5.82 A): 3 out of 3 assignments used, quality = 0.73: HE2 LYS 12 + HA ILE 15 OK 41 96 - 43 - 10392/4.2=11, 3.0/662=6...(18) HE3 LYS 33 + HA ILE 15 OK 33 99 - 33 - 8735/10142=5, 3.9/8457=5...(8) HE2 LYS 33 + HA ILE 15 OK 33 99 - 33 - 8735/10142=5, 3.9/8457=5...(8) Peak 8452 from cnoeabs.peaks (3.81, 3.26, 65.94 ppm; 6.12 A): 4 out of 5 assignments used, quality = 0.93: HA ARG 19 + HA ILE 15 OK 88 100 - 88 - 3.0/6277=47, 4.9/772=43...(15) HA LYS 68 + HA ILE 15 OK 24 98 - 25 - 777/6277=4, 8511/772=4...(8) HB3 SER 102 + HA ILE 15 OK 14 100 - 14 - 4.0/634=2, 4461/3.0=2...(6) HA ALA 22 + HA ILE 15 OK 10 77 - 13 - 2.1/10419=3, 6284/6277=2 HA SER 97 - HA ILE 15 lone 8 99 - 8 - 6284/6277=3 Peak 8453 from cnoeabs.peaks (4.06, 3.26, 65.94 ppm; 6.07 A): 2 out of 6 assignments used, quality = 0.99: HA GLU 17 + HA ILE 15 OK 92 100 - 92 - 2.9/6247=50, 3.6/6263=46...(13) HA GLU 16 + HA ILE 15 OK 82 90 - 92 - 3.6/6247=48, ~6222=21...(21) HA LYS 20 - HA ILE 15 OK 40 99 - 40 - 6280/6277=8, 8491/772=7...(9) HA ARG 46 - HA ILE 15 OK 33 65 - 50 - 3.0/641=12, ~6222=8...(12) HB2 SER 49 - HA ILE 15 OK 31 100 - 31 - 8454/3.0=7, ~10121=5...(8) HB3 SER 59 - HA ILE 15 poor 7 61 - 12 - ~6208=3, 6236/3.6=2, 9409/8413=1 Peak 8454 from cnoeabs.peaks (4.06, 1.73, 37.98 ppm; 5.98 A): 3 out of 6 assignments used, quality = 0.97: HA GLU 17 + HB ILE 15 OK 77 100 - 77 - ~6247=33, 5.0/8487=12...(17) HA GLU 16 + HB ILE 15 OK 76 90 - 84 - 3.0/652=26, ~660=20...(19) HB2 SER 49 + HB ILE 15 OK 49 100 - 49 - ~8447=11, ~10121=6...(11) HA ARG 46 - HB ILE 15 OK 38 65 - 58 - 3.0/652=12, ~660=9...(15) HA LYS 20 - HB ILE 15 OK 30 99 - 30 - ~8436=6, 6236/4.5=6...(8) HB3 SER 59 - HB ILE 15 lone 3 61 - 5 - 6236/4.5=2 Peak 8455 from cnoeabs.peaks (1.15, 3.26, 65.94 ppm; 4.86 A): 4 out of 5 assignments used, quality = 0.91: QG2 THR 31 + HA ILE 15 OK 73 99 - 74 - 10142=35, 10123/3.2=23...(13) HB2 LEU 29 + HA ILE 15 OK 43 81 - 53 - 3.1/8689=25, 3.1/8459=16...(9) HG3 LYS 82 + HA ILE 15 OK 33 96 - 34 - 10123/3.2=13, 8467/4.2=9...(6) HB3 LEU 3 + HA ILE 15 OK 15 99 - 15 - 8467/4.2=4, 10123/3.2=4...(5) HG2 LYS 40 - HA ILE 15 poor 10 87 - 11 - 8467/4.2=2, ~6213=1...(4) Peak 8456 from cnoeabs.peaks (1.34, 3.26, 65.94 ppm; 4.97 A): 2 out of 12 assignments used, quality = 0.96: HG LEU 14 + HA ILE 15 OK 93 99 - 94 - 2.1/8413=46, 8409=28...(24) HB2 LYS 82 + HA ILE 15 OK 39 100 - 39 - ~8462=18, ~10123=8...(7) HG2 LYS 39 - HA ILE 15 OK 35 100 - 35 - 1702/3.0=6, ~1713=4...(12) HB3 LEU 2 - HA ILE 15 OK 33 87 - 38 - 12172/8261=5, 3.1/637=3...(18) QB ALA 89 - HA ILE 15 OK 29 98 - 29 - 9940/6263=11, 9932/4.2=3...(11) QB ALA 67 - HA ILE 15 OK 19 96 - 20 - 4.9/8452=3, 9526/3.2=2...(9) HB3 LEU 27 - HA ILE 15 OK 16 100 - 15 - 1202/4.2=2, 1202/4.1=2...(6) HG12 ILE 8 - HA ILE 15 OK 14 65 - 22 - 2.1/12020=4, ~6215=4...(8) HG3 LYS 68 - HA ILE 15 OK 14 99 - 14 - 4.0/8452=4, 6213/3.0=2 QB ALA 25 - HA ILE 15 OK 11 98 - 11 - 8621/4.2=2, 8621/4.1=2 HG3 LYS 40 - HA ILE 15 poor 9 81 - 11 - 1.8/8455=2, 6213/3.0=2 HG2 LYS 94 - HA ILE 15 lone 7 98 - 7 - 6213/3.0=1 Peak 8457 from cnoeabs.peaks (1.54, 3.26, 65.94 ppm; 5.55 A): 4 out of 11 assignments used, quality = 0.94: HB2 LEU 14 + HA ILE 15 OK 70 73 - 95 - 3.1/8413=45, 3.0/8409=28...(22) HB ILE 7 + HA ILE 15 OK 57 73 - 77 - 3.2/8261=43...(18) HG2 LYS 33 + HA ILE 15 OK 41 92 - 44 - 3.9/8451=9, 3.9/8451=9...(15) HG12 ILE 56 + HA ILE 15 OK 26 97 - 27 - ~6215=5, 1.8/12020=4...(8) HG LEU 6 - HA ILE 15 OK 24 84 - 29 - 2.1/12021=6, ~6214=5...(10) HB2 LEU 3 - HA ILE 15 OK 13 77 - 17 - 1.8/8455=4, ~10123=4...(4) HG3 ARG 30 - HA ILE 15 OK 10 96 - 11 - 10141/8689=2, ~8716=1, ~8719=1 HG2 ARG 79 - HA ILE 15 lone 6 99 - 6 - HG3 ARG 79 - HA ILE 15 lone 5 100 - 5 - HB3 LEU 103 - HA ILE 15 lone 5 77 - 6 - HD3 LYS 53 - HA ILE 15 lone 3 81 - 4 - 10141/8689=1 Peak 8458 from cnoeabs.peaks (1.91, 3.26, 65.94 ppm; 5.06 A): 3 out of 12 assignments used, quality = 0.98: HB3 LEU 14 + HA ILE 15 OK 89 96 - 93 - 3.1/8413=41, 3.0/8409=24...(23) HB3 LYS 13 + HA ILE 15 OK 64 99 - 64 - ~6208=11, 4.6/8441=10...(19) HB2 LYS 13 + HA ILE 15 OK 63 98 - 64 - ~6208=11, 4.6/8441=10...(19) HB2 ARG 19 - HA ILE 15 OK 40 65 - 61 - 3.9/6277=33, 3.0/8452=15...(10) HB3 LYS 33 - HA ILE 15 OK 38 99 - 38 - 4.8/8451=7, 4.8/8451=7...(11) HB2 LYS 33 - HA ILE 15 OK 36 97 - 37 - 4.8/8451=7, 4.8/8451=7...(11) HB3 ARG 19 - HA ILE 15 OK 35 61 - 57 - 3.9/6277=33, 3.0/8452=15...(8) HG LEU 42 - HA ILE 15 OK 25 81 - 31 - 2.1/12021=6, ~6214=5...(12) HB ILE 8 - HA ILE 15 OK 20 77 - 26 - 3.2/12020=4, 629/8413=4...(11) HB2 GLU 43 - HA ILE 15 OK 11 99 - 11 - 8475/3.6=2, ~10608=2, 6212/3.0=1 HB2 LYS 94 - HA ILE 15 lone 7 87 - 8 - ~6206=1, ~644=1 HB3 LYS 47 - HA ILE 15 lone 6 81 - 8 - ~6208=2, ~10352=1 Peak 8459 from cnoeabs.peaks (0.63, 3.26, 65.94 ppm; 3.62 A): 3 out of 3 assignments used, quality = 0.77: QD1 ILE 7 + HA ILE 15 OK 52 81 - 64 - 8261=26, 8469/4.2=12...(18) QD2 LEU 29 + HA ILE 15 OK 43 96 - 45 - 2.1/8689=13, 10501/3.2=7...(11) QD1 LEU 29 + HA ILE 15 OK 16 61 - 27 - 8689=5, 3.1/8455=4...(9) Peak 8462 from cnoeabs.peaks (1.12, 1.73, 37.98 ppm; 5.27 A): 0 out of 1 assignment used, low quality = 0.26: HG3 LYS 82 - HB ILE 15 OK 26 65 - 39 - 8463/2.9=16, 10123/2.1=8...(7) Peak 8463 from cnoeabs.peaks (1.13, 0.75, 29.43 ppm; 4.34 A): 2 out of 2 assignments used, quality = 0.78: QG2 THR 31 + HG13 ILE 15 OK 59 90 - 66 - 10123/3.2=23...(9) HG3 LYS 82 + HG13 ILE 15 OK 47 96 - 49 - 8462/2.9=20...(9) Peak 8464 from cnoeabs.peaks (1.51, 0.75, 29.43 ppm; 5.47 A): 3 out of 12 assignments used, quality = 0.96: HB ILE 7 + HG13 ILE 15 OK 80 92 - 87 - 3.2/8470=38...(23) HG LEU 2 + HG13 ILE 15 OK 61 100 - 61 - 2.1/10118=14, ~12274=6...(22) HB2 LEU 14 + HG13 ILE 15 OK 47 92 - 51 - 4.4/669=16, ~8430=13...(12) HG3 LYS 13 - HG13 ILE 15 OK 39 77 - 52 - 4.8/669=8, ~10394=7...(20) HG3 LYS 33 - HG13 ILE 15 OK 24 96 - 25 - 3.0/671=3, 3.0/671=3...(11) HG LEU 6 - HG13 ILE 15 OK 18 84 - 21 - 6211/4.6=3, ~223=2...(6) HG3 LYS 24 - HG13 ILE 15 OK 18 99 - 18 - 3.0/673=1, 3.0/673=1...(4) HG3 LYS 66 - HG13 ILE 15 OK 14 61 - 22 - ~9514=2, ~12319=2...(9) HG LEU 57 - HG13 ILE 15 OK 11 90 - 12 - HG3 ARG 30 - HG13 ILE 15 poor 8 65 - 12 - 4.9/8713=2, ~8721=2...(5) HB3 LEU 103 - HG13 ILE 15 lone 7 90 - 8 - HG12 ILE 56 - HG13 ILE 15 poor 7 61 - 12 - 6211/4.6=4, 3.2/8470=2 Peak 8465 from cnoeabs.peaks (1.88, 0.75, 29.43 ppm; 5.21 A): 3 out of 12 assignments used, quality = 0.94: HB3 LYS 12 + HG13 ILE 15 OK 74 84 - 88 - ~392=18, 8466/2.1=14...(39) HB2 LYS 12 + HG13 ILE 15 OK 68 77 - 88 - ~392=18, 8466/2.1=14...(39) HB VAL 54 + HG13 ILE 15 OK 28 98 - 29 - 8466/2.1=4, ~10651=3...(13) HB2 ARG 19 - HG13 ILE 15 OK 25 84 - 29 - 8514/3.2=6, ~8516=6...(8) HG LEU 42 - HG13 ILE 15 OK 15 70 - 22 - ~1941=2, 6212/4.6=1...(12) HB2 LYS 20 - HG13 ILE 15 OK 15 92 - 16 - 8466/2.1=2, ~8454=2...(4) HB3 LYS 39 - HG13 ILE 15 OK 14 70 - 20 - 4.0/669=3, 8466/2.1=3...(6) HB3 LYS 68 - HG13 ILE 15 OK 12 96 - 12 - 8466/2.1=2, 3.0/8509=1 HB3 LYS 66 - HG13 ILE 15 OK 12 65 - 17 - 8466/2.1=3, ~9514=2...(5) HB ILE 8 - HG13 ILE 15 OK 11 73 - 15 - ~8448=3, 2.9/10118=2...(6) HB VAL 5 - HG13 ILE 15 lone 4 65 - 5 - 8466/2.1=1 HB3 GLU 104 - HG13 ILE 15 lone 3 94 - 3 - Peak 8466 from cnoeabs.peaks (1.87, 0.76, 13.00 ppm; 4.14 A): 2 out of 10 assignments used, quality = 0.92: HB3 LYS 12 + QD1 ILE 15 OK 73 96 - 76 - 3.0/8381=13, 4.0/8438=13...(30) HB2 LYS 12 + QD1 ILE 15 OK 69 92 - 76 - 3.0/8381=13, 4.0/8438=13...(30) HB VAL 54 - QD1 ILE 15 OK 19 90 - 21 - 8465/2.1=2, 2.1/2497=2...(8) HB2 ARG 19 - QD1 ILE 15 OK 15 65 - 24 - 4.1/8436=5, ~8516=4...(7) HB3 LYS 39 - QD1 ILE 15 OK 14 87 - 16 - 4.0/677=2, 3.0/8468=2...(6) HB3 LYS 66 - QD1 ILE 15 OK 14 84 - 16 - 4.0/8436=3, ~9514=2, 9516/3.0=1 HB2 LYS 20 - QD1 ILE 15 OK 12 77 - 16 - 4.0/8436=5, 4.6/8562=1...(5) HB3 LYS 68 - QD1 ILE 15 OK 10 100 - 10 - 8465/2.1=1 HB VAL 5 - QD1 ILE 15 lone 6 84 - 7 - HB3 GLU 104 - QD1 ILE 15 lone 2 99 - 2 - Peak 8467 from cnoeabs.peaks (1.14, 0.76, 13.00 ppm; 3.24 A): 4 out of 5 assignments used, quality = 0.70: QG2 THR 31 + QD1 ILE 15 OK 47 100 - 47 - 10123/3.0=16...(10) HG3 LYS 82 + QD1 ILE 15 OK 26 100 - 26 - 10123/3.0=9, 8463/2.1=7...(7) HB2 LEU 29 + QD1 ILE 15 OK 16 61 - 26 - 3.1/8469=8, 8455/4.2=3...(10) HB3 LEU 3 + QD1 ILE 15 OK 11 94 - 12 - 10123/3.0=3, 4.0/12276=1 HG2 LYS 40 - QD1 ILE 15 lone 5 70 - 7 - 3.8/8446=2 Peak 8468 from cnoeabs.peaks (1.45, 0.76, 13.00 ppm; 4.20 A): 5 out of 17 assignments used, quality = 0.93: HG2 LYS 12 + QD1 ILE 15 OK 69 100 - 70 - 4.7/8438=12, 3.7/8381=12...(21) HG LEU 29 + QD1 ILE 15 OK 38 90 - 43 - 2.1/8469=15, 3.0/8467=6...(11) HD2 LYS 82 + QD1 ILE 15 OK 32 84 - 38 - ~8462=12, 2.9/8467=10...(6) HG2 LYS 13 + QD1 ILE 15 OK 31 73 - 42 - 1.8/10852=7, 4.8/677=5...(13) HG13 ILE 76 + QD1 ILE 15 OK 24 92 - 26 - 4.5/8437=5, ~10118=3...(11) HB2 LEU 27 - QD1 ILE 15 OK 23 90 - 26 - 4.4/8436=5, 1.8/1202=3...(9) HG3 LYS 39 - QD1 ILE 15 OK 19 99 - 19 - 1713/5.0=3, 3.0/8466=2...(5) HB2 LEU 38 - QD1 ILE 15 OK 19 94 - 19 - 1633/5.0=2, 3.0/8446=2...(6) QB ALA 22 - QD1 ILE 15 OK 15 90 - 17 - 8580/8469=2, 8579=2...(5) HG LEU 38 - QD1 ILE 15 OK 12 84 - 14 - 3.7/8446=2, 1649/5.0=1 HG2 LYS 20 - QD1 ILE 15 OK 12 90 - 13 - 4.9/8436=4, 3.0/8466=2 HD2 LYS 40 - QD1 ILE 15 poor 7 65 - 11 - 3.0/8467=2, 5.2/8446=2 HG3 ARG 91 - QD1 ILE 15 lone 7 98 - 7 - 4.8/9955=2 HD3 LYS 40 - QD1 ILE 15 poor 7 61 - 11 - 3.0/8467=2, 5.2/8446=2 HG13 ILE 52 - QD1 ILE 15 lone 6 90 - 6 - HD2 LYS 53 - QD1 ILE 15 lone 4 84 - 5 - HG2 LYS 53 - QD1 ILE 15 lone 4 70 - 5 - Peak 8469 from cnoeabs.peaks (0.63, 0.76, 13.00 ppm; 3.74 A): 2 out of 2 assignments used, quality = 0.74: QD1 ILE 7 + QD1 ILE 15 OK 60 94 - 64 - 8261/4.2=18, 8471/2.1=9...(21) QD2 LEU 29 + QD1 ILE 15 OK 35 84 - 42 - 8459/4.2=8, 10501/3.0=6...(17) Peak 8470 from cnoeabs.peaks (0.61, 0.75, 29.43 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.69: QD1 ILE 7 + HG13 ILE 15 OK 69 90 - 78 - 8261/4.1=25...(22) QG2 ILE 56 - HG13 ILE 15 lone 4 92 - 4 - Peak 8471 from cnoeabs.peaks (0.63, 1.69, 29.43 ppm; 4.85 A): 6 out of 8 assignments used, quality = 0.93: QD1 ILE 7 + HG12 ILE 15 OK 79 94 - 84 - 8261/4.1=30, 8469/2.1=30...(19) QD2 LEU 29 + HG12 ILE 15 OK 43 84 - 51 - 8469/2.1=17, 8459/4.1=13...(11) QD2 LEU 29 + HD3 LYS 90 OK 15 79 - 19 - ~10499=3, ~10285=3...(8) QD1 ILE 7 + HD3 LYS 90 OK 13 90 - 15 - 8261/662=3, 8287/3.6=2...(6) QD2 LEU 29 + HD3 LYS 12 OK 13 36 - 35 - 1298/3.0=3, 8674/3.6=3...(14) QD2 LEU 29 + HD2 LYS 12 OK 13 36 - 35 - 1298/3.0=3, 8674/3.6=3...(14) QD1 ILE 7 - HD2 LYS 12 poor 9 42 - 21 - 8262/3.0=3, 8286/1.8=2...(8) QD1 ILE 7 - HD3 LYS 12 poor 9 42 - 21 - 8262/3.0=3, 8286/1.8=2...(8) Peak 8477 from cnoeabs.peaks (3.68, 2.24, 36.00 ppm; 5.01 A): 3 out of 4 assignments used, quality = 0.86: HA LEU 14 + HG2 GLU 17 OK 65 99 - 66 - 593/3.0=22, 592/3.0=21...(8) HA LYS 90 + HG2 GLU 17 OK 46 96 - 49 - 735/3.0=10, 8478/1.8=9...(11) HB THR 80 + HG2 GLU 17 OK 28 100 - 28 - 735/3.0=7, 8478/1.8=6...(5) HA GLU 88 - HG2 GLU 17 lone 4 65 - 6 - Peak 8478 from cnoeabs.peaks (3.68, 2.43, 36.00 ppm; 5.06 A): 4 out of 9 assignments used, quality = 0.92: HA LEU 14 + HG3 GLU 17 OK 73 100 - 73 - 593/3.0=23, 592/3.0=21...(10) HA LYS 90 + HG3 GLU 17 OK 48 84 - 58 - 8477/1.8=13...(14) HB THR 80 + HG3 GLU 17 OK 33 100 - 33 - 8477/1.8=8, 735/3.0=8...(8) HA LEU 14 + HG3 GLU 48 OK 19 84 - 23 - 4.0/8417=4, 4.0/8415=4...(6) HA LYS 90 - HG3 GLU 48 poor 9 64 - 14 - 5.2/12232=3, 3.0/12164=1...(4) HA LEU 14 - HG3 GLU 99 poor 8 65 - 12 - 3.0/8406=2, 4.0/8415=2...(4) HA LYS 90 - HG3 GLU 99 poor 6 48 - 13 - 10978/4.7=2, 9948/3.0=2...(5) HB THR 80 - HG3 GLU 48 lone 6 83 - 7 - HB THR 80 - HG3 GLU 99 lone 3 64 - 4 - Peak 8479 from cnoeabs.peaks (4.13, 2.30, 36.00 ppm; 4.19 A): 4 out of 10 assignments used, quality = 0.59: HA GLU 62 + HG2 GLU 63 OK 28 88 - 32 - 3.6/2786=20, ~7003=5...(5) HA GLU 23 + HG3 GLU 16 OK 25 77 - 33 - 3.0/721=5, 3.0/720=5...(13) HA LYS 47 + HG3 GLU 16 OK 14 87 - 16 - 3.6/6791=8, ~9029=4, ~9033=2 HA GLU 62 + HG3 GLU 16 OK 12 92 - 13 - 3.6/2786=7, 3.0/720=1 HA GLU 104 - HG2 GLU 63 lone 6 96 - 6 - 7014/4.8=3 HA LYS 47 - HG2 GLU 63 lone 5 83 - 6 - 3.6/6791=3, ~6766=2 HA GLU 99 - HG2 GLU 63 lone 4 92 - 4 - 7014/4.8=2 HA GLU 104 - HG3 GLU 16 lone 3 99 - 3 - HA GLU 99 - HG3 GLU 16 lone 3 96 - 3 - HA GLU 23 - HG2 GLU 63 lone 3 73 - 4 - Peak 8480 from cnoeabs.peaks (0.76, 3.77, 54.96 ppm; 3.28 A): 3 out of 11 assignments used, quality = 0.94: QD1 ILE 93 + HA ALA 18 OK 76 97 - 79 - 10026=38, 10020/2.1=32...(15) QG2 ILE 93 + HA ALA 18 OK 55 87 - 64 - 3.1/10026=23, ~10020=12...(15) HG13 ILE 93 + HA ALA 18 OK 40 61 - 66 - 2.1/10026=29, ~10020=17...(12) QD1 ILE 15 - HA ALA 18 OK 30 100 - 30 - 8439/2.9=7, 8482/2.1=6...(9) HG13 ILE 15 - HA ALA 18 OK 25 96 - 26 - 8482/2.1=5, ~8487=4...(8) QG1 VAL 54 - HA ALA 18 OK 22 100 - 22 - 2.1/8481=4, 8482/2.1=3...(9) QD1 LEU 27 - HA ALA 18 OK 13 98 - 13 - 8567/6341=3, 8482/2.1=2...(4) QD2 LEU 42 - HA ALA 18 OK 12 99 - 12 - ~12032=3, ~12012=2...(5) QD1 LEU 6 - HA ALA 18 lone 5 96 - 5 - ~12032=1, 8482/2.1=1 QG2 ILE 52 - HA ALA 18 lone 4 73 - 6 - QG1 VAL 78 - HA ALA 18 lone 1 70 - 2 - Peak 8481 from cnoeabs.peaks (0.65, 3.77, 54.96 ppm; 4.21 A): 3 out of 3 assignments used, quality = 0.93: QD1 LEU 29 + HA ALA 18 OK 71 100 - 72 - 8672/2.1=44, 8691/3.6=16...(8) QD2 LEU 29 + HA ALA 18 OK 62 96 - 64 - ~8672=28, 8693/3.6=15...(10) QG2 VAL 54 + HA ALA 18 OK 35 99 - 35 - 8505/3.6=6, 2498/2.9=4...(14) Peak 8482 from cnoeabs.peaks (0.77, 1.23, 17.96 ppm; 2.87 A): 6 out of 10 assignments used, quality = 0.92: QD1 ILE 93 + QB ALA 18 OK 65 100 - 66 - 10020=36, 10026/2.1=22...(9) QD1 ILE 15 + QB ALA 18 OK 37 96 - 38 - 4.2/772=12, 5.0/8460=7...(12) QG2 ILE 93 + QB ALA 18 OK 32 70 - 46 - 3.1/10020=19, ~10026=8...(11) HG13 ILE 15 + QB ALA 18 OK 31 84 - 36 - 4.1/772=13, 4.6/8460=8...(10) QG1 VAL 54 + QB ALA 18 OK 19 98 - 19 - 2.1/8483=3, 2.1/8486=2...(7) QD2 LEU 42 + QB ALA 18 OK 10 100 - 10 - 2.1/12032=4, 8480/2.1=1 QD1 LEU 27 - QB ALA 18 lone 10 100 - 10 - 2.1/12031=1, 8480/2.1=1 QD1 LEU 6 - QB ALA 18 lone 6 100 - 6 - 2.1/12032=2 QG2 ILE 52 - QB ALA 18 lone 4 90 - 5 - QG2 ILE 8 - QB ALA 18 lone 3 61 - 4 - 3.0/12031=2 Peak 8483 from cnoeabs.peaks (0.64, 1.23, 17.96 ppm; 2.82 A): 3 out of 4 assignments used, quality = 0.71: QD2 LEU 29 + QB ALA 18 OK 42 97 - 43 - 2.1/8672=17, 8693/3.6=6...(10) QD1 ILE 7 + QB ALA 18 OK 38 77 - 49 - 8278=22, 3.0/8283=15...(10) QD1 LEU 29 + QB ALA 18 OK 20 65 - 31 - 8672=11, 8505/3.6=5...(8) QG2 VAL 54 - QB ALA 18 poor 10 61 - 16 - 2.1/8482=3, 8505/3.6=2...(4) Peak 8484 from cnoeabs.peaks (1.45, 1.23, 17.96 ppm; 3.97 A): 7 out of 17 assignments used, quality = 0.90: HG LEU 29 + QB ALA 18 OK 53 90 - 60 - 2.1/8672=30, 2.1/8483=18...(9) QB ALA 22 + QB ALA 18 OK 40 90 - 44 - ~6341=19, 2.9/8569=12...(8) HG2 LYS 20 + QB ALA 18 OK 32 90 - 35 - 4.9/8526=9, 3.7/8491=6...(10) HG3 LYS 39 + QB ALA 18 OK 17 99 - 17 - 10568/8672=4...(7) HB2 LEU 27 + QB ALA 18 OK 15 90 - 17 - 4.4/8495=2, ~12030=2...(7) HG2 LYS 12 + QB ALA 18 OK 13 100 - 13 - 425/8460=2, 3.0/8486=1...(5) HG13 ILE 76 + QB ALA 18 OK 12 92 - 13 - 3448/3.6=4, 10502/4.9=2...(4) HG2 LYS 13 - QB ALA 18 poor 7 73 - 10 - 4.8/8494=2, 517/8460=2 HG13 ILE 52 - QB ALA 18 lone 7 90 - 8 - 2.1/12032=2 HB2 LEU 38 - QB ALA 18 lone 5 94 - 6 - 1633/8460=1 HD2 LYS 82 - QB ALA 18 lone 5 84 - 6 - 1.8/8488=3 HG3 ARG 91 - QB ALA 18 lone 3 98 - 3 - HG LEU 38 - QB ALA 18 lone 3 84 - 3 - HD2 LYS 53 - QB ALA 18 lone 3 84 - 3 - HG2 LYS 53 - QB ALA 18 lone 3 70 - 4 - HD2 LYS 40 - QB ALA 18 lone 2 65 - 3 - HD3 LYS 40 - QB ALA 18 lone 2 61 - 3 - Peak 8485 from cnoeabs.peaks (1.94, 1.23, 17.96 ppm; 4.27 A): 3 out of 11 assignments used, quality = 0.97: HB2 GLU 17 + QB ALA 18 OK 73 100 - 73 - 4.6/6273=27, ~6269=13...(16) HB3 ARG 19 + QB ALA 18 OK 71 87 - 82 - 3.9/6283=31...(12) HB3 LYS 20 + QB ALA 18 OK 58 97 - 60 - 4.0/8526=12, 4.6/8496=9...(13) HB2 MET 1 - QB ALA 18 OK 16 100 - 16 - 6268/2.9=4, ~6269=4...(5) HB VAL 32 - QB ALA 18 OK 11 100 - 11 - 12056/8283=3...(3) HG3 GLU 88 - QB ALA 18 lone 8 100 - 7 - ~8489=2 HB2 LYS 94 - QB ALA 18 poor 7 61 - 11 - 1.8/10437=2, 6286/3.6=1 HB3 ARG 46 - QB ALA 18 lone 4 65 - 6 - ~8492=1 HB3 LYS 73 - QB ALA 18 lone 3 77 - 4 - 9582/5.0=1 HB2 LYS 73 - QB ALA 18 lone 3 73 - 4 - 9582/5.0=1 HB3 LYS 47 - QB ALA 18 lone 2 70 - 3 - Peak 8486 from cnoeabs.peaks (1.88, 1.23, 17.96 ppm; 4.43 A): 8 out of 10 assignments used, quality = 0.92: HB2 ARG 19 + QB ALA 18 OK 57 70 - 82 - 3.9/6283=33...(12) HB2 LYS 20 + QB ALA 18 OK 48 81 - 60 - 4.0/8526=13, 4.6/8496=9...(13) HB VAL 54 + QB ALA 18 OK 36 92 - 39 - ~8481=5, 2.1/8483=4...(15) HB3 LYS 68 + QB ALA 18 OK 14 99 - 14 - 3.0/8511=5, 3011/4.9=3, ~12030=1 HB VAL 5 + QB ALA 18 OK 12 81 - 15 - 8192/8672=3, 3.9/776=3...(6) HB3 LYS 12 + QB ALA 18 OK 12 94 - 13 - 4.2/8494=3, 3.0/8484=2...(4) HB2 LYS 12 + QB ALA 18 OK 11 90 - 12 - 4.2/8494=3, 3.0/8484=2...(4) HB3 LYS 39 + QB ALA 18 OK 10 84 - 12 - 3.0/8484=3, ~8489=1...(5) HB3 LYS 66 - QB ALA 18 lone 7 81 - 8 - 4.0/8495=3, ~8492=1 HB3 GLU 104 - QB ALA 18 lone 2 99 - 2 - Peak 8487 from cnoeabs.peaks (1.72, 1.23, 17.96 ppm; 4.81 A): 3 out of 12 assignments used, quality = 0.81: HB ILE 15 + QB ALA 18 OK 75 87 - 86 - 3.0/772=44, 4.0/8460=29...(15) HB3 LEU 70 + QB ALA 18 OK 15 100 - 15 - 9544/12032=5, 636/772=2...(4) HB2 LEU 2 + QB ALA 18 OK 13 73 - 17 - 8286/8278=4, 8335/2.9=3...(6) HD2 LYS 12 - QB ALA 18 poor 8 70 - 12 - 3.0/8484=2, 3.6/8486=2...(5) HD3 LYS 12 - QB ALA 18 poor 8 70 - 12 - 3.0/8484=2, 3.6/8486=2...(5) HD3 LYS 13 - QB ALA 18 poor 8 77 - 10 - 6.0/8494=2, 8335/2.9=1...(4) HD2 LYS 13 - QB ALA 18 poor 7 70 - 10 - 6.0/8494=2, 8335/2.9=1...(4) HD3 LYS 33 - QB ALA 18 lone 6 97 - 6 - 636/772=2, 6217/8460=1 HD2 LYS 33 - QB ALA 18 lone 6 97 - 6 - 636/772=2, 6217/8460=1 HD2 ARG 81 - QB ALA 18 lone 6 96 - 6 - 636/772=1 HD3 LYS 66 - QB ALA 18 lone 5 73 - 7 - 6.1/8495=2, 3.6/8486=1 HG LEU 70 - QB ALA 18 lone 4 61 - 6 - 10404/12032=1...(3) Peak 8488 from cnoeabs.peaks (1.57, 1.23, 17.96 ppm; 4.46 A): 1 out of 9 assignments used, quality = 0.53: HG2 ARG 19 + QB ALA 18 OK 53 73 - 73 - 4.9/6283=25...(9) HD3 LYS 82 - QB ALA 18 lone 7 100 - 7 - 9768/12032=2 HB3 GLU 28 - QB ALA 18 lone 7 98 - 7 - 4.0/8495=3 HG3 LYS 90 - QB ALA 18 lone 6 77 - 8 - ~8489=3, ~8335=1 HB2 LEU 3 - QB ALA 18 lone 3 73 - 4 - HG LEU 103 - QB ALA 18 lone 2 84 - 3 - HB2 LEU 103 - QB ALA 18 lone 2 73 - 3 - HG2 LYS 24 - QB ALA 18 lone 2 70 - 3 - HD3 LYS 53 - QB ALA 18 lone 2 70 - 3 - Peak 8489 from cnoeabs.peaks (1.81, 3.77, 54.96 ppm; 5.36 A): 2 out of 8 assignments used, quality = 0.93: HB ILE 93 + HA ALA 18 OK 90 98 - 92 - 3.2/10026=46, ~10020=34...(16) HB2 LYS 90 + HA ALA 18 OK 32 100 - 32 - 4.1/8497=11, ~6262=4...(11) HB2 LEU 42 - HA ALA 18 OK 23 100 - 23 - ~12032=5, ~12012=4...(8) HB2 GLU 88 - HA ALA 18 OK 20 100 - 20 - 9913/9727=8...(4) HB2 LYS 39 - HA ALA 18 OK 13 90 - 14 - ~8484=2, 3.0/12030=2...(6) HB3 LEU 57 - HA ALA 18 poor 8 77 - 11 - 8287/8260=6, 9356/9727=2 HB2 GLU 104 - HA ALA 18 lone 8 100 - 8 - 9913/9727=2, 4164/10026=1 HG2 ARG 46 - HA ALA 18 lone 5 73 - 7 - 4.1/8492=2, 8287/8260=2 Peak 8490 from cnoeabs.peaks (2.93, 3.77, 54.96 ppm; 5.40 A): 5 out of 9 assignments used, quality = 0.90: HG2 MET 21 + HA ALA 18 OK 70 81 - 86 - 3.0/959=43, 5.1/6319=33...(12) HE3 LYS 20 + HA ALA 18 OK 26 84 - 31 - 7.3/6297=19, 6.3/8492=9 HB2 ASN 10 + HA ALA 18 OK 25 100 - 25 - 4.0/765=3, 8357/10026=3...(10) HE2 LYS 20 + HA ALA 18 OK 25 81 - 31 - 7.3/6297=19, 6.3/8492=9 HE3 LYS 90 + HA ALA 18 OK 21 92 - 23 - 7.0/8497=7, 4.8/8489=4...(8) HE2 LYS 94 - HA ALA 18 lone 9 98 - 9 - 3.9/12030=2, 6331/6319=2...(4) HE3 LYS 94 - HA ALA 18 lone 6 77 - 8 - 3.9/12030=2, 6331/6319=2 HE2 LYS 68 - HA ALA 18 lone 5 73 - 7 - 3.6/12030=2, 6314/6297=1 HE3 LYS 68 - HA ALA 18 lone 5 65 - 7 - 3.6/12030=2, 6314/6297=1 Peak 8491 from cnoeabs.peaks (4.06, 1.23, 17.96 ppm; 4.79 A): 3 out of 6 assignments used, quality = 1.00: HA GLU 17 + QB ALA 18 OK 98 100 - 99 - 5.0=88, 3.6/6273=42...(21) HA LYS 20 + QB ALA 18 OK 86 99 - 86 - ~6297=26, 2.9/8526=18...(21) HA GLU 16 + QB ALA 18 OK 55 90 - 61 - ~6264=15, ~6242=13...(12) HB2 SER 49 - QB ALA 18 OK 15 100 - 14 - 8492/2.1=2, 6280/3.6=2...(5) HA ARG 46 - QB ALA 18 poor 9 65 - 13 - ~6264=3, 8492/2.1=2...(5) HB3 SER 59 - QB ALA 18 lone 5 61 - 7 - 6278/3.6=2 Peak 8492 from cnoeabs.peaks (4.07, 3.77, 54.96 ppm; 4.98 A): 5 out of 5 assignments used, quality = 0.94: HA LYS 20 + HA ALA 18 OK 72 81 - 90 - 2.9/6297=42, 3.6/6319=39...(15) HA GLU 17 + HA ALA 18 OK 68 84 - 81 - ~6259=20, ~742=16...(14) HB2 SER 49 + HA ALA 18 OK 12 96 - 12 - 8491/2.1=2, 6280/3.6=2...(5) HA ARG 46 + HA ALA 18 OK 11 96 - 12 - ~6264=4, ~6242=2...(4) HA LYS 66 + HA ALA 18 OK 10 87 - 12 - 3.0/8498=3, ~8495=3...(4) Peak 8493 from cnoeabs.peaks (4.40, 3.77, 54.96 ppm; 5.79 A): 1 out of 6 assignments used, quality = 0.92: HA MET 21 + HA ALA 18 OK 92 97 - 95 - 3.0/6319=49, 3.6/6341=48...(11) HA ALA 25 - HA ALA 18 OK 23 94 - 25 - ~8496=5, 6346/6341=5...(7) HA GLN 50 - HA ALA 18 OK 18 98 - 18 - 3.7/771=3, 961/959=3...(8) HA HIS 106 - HA ALA 18 lone 10 100 - 10 - 955/6341=2, 6332/6319=2 HA MET 74 - HA ALA 18 lone 9 100 - 10 - 961/959=2, 6332/6319=2 HA VAL 32 - HA ALA 18 lone 9 97 - 9 - ~8485=2, 6332/6319=1...(4) Peak 8494 from cnoeabs.peaks (8.07, 1.23, 17.96 ppm; 4.34 A): 2 out of 6 assignments used, quality = 0.97: H ILE 15 + QB ALA 18 OK 91 99 - 92 - 8460=43, 3.0/772=39...(17) H GLU 17 + QB ALA 18 OK 72 98 - 74 - 6259/2.9=32, 6260/3.6=20...(13) H LYS 13 - QB ALA 18 OK 23 98 - 23 - 634/772=3, 633/12013=3...(9) H SER 102 - QB ALA 18 OK 10 92 - 11 - 6266/2.9=2, 6279/3.6=2 H GLU 75 - QB ALA 18 lone 10 97 - 10 - 633/12013=2, 625/12032=1...(5) H LYS 39 - QB ALA 18 poor 9 81 - 12 - 5.2/8484=2, 633/12013=1...(5) Peak 8495 from cnoeabs.peaks (7.79, 1.23, 17.96 ppm; 5.32 A): 1 out of 6 assignments used, quality = 0.98: H LYS 20 + QB ALA 18 OK 98 100 - 99 - 6297/2.1=49, 4.6/6283=36...(22) H GLU 28 - QB ALA 18 OK 38 99 - 39 - 8498/2.1=6, 6291/3.6=6...(13) H GLU 99 - QB ALA 18 OK 33 100 - 32 - 7601/4.9=6, 8498/2.1=5...(11) H LYS 66 - QB ALA 18 OK 30 96 - 32 - 6291/3.6=5, 8498/2.1=4...(10) H SER 9 - QB ALA 18 OK 19 70 - 27 - 10412/12013=5, 4.6/773=3...(8) HE ARG 30 - QB ALA 18 OK 17 99 - 17 - 6291/3.6=3, 8498/2.1=2...(6) Peak 8496 from cnoeabs.peaks (7.70, 1.23, 17.96 ppm; 5.03 A): 3 out of 5 assignments used, quality = 0.70: H MET 21 + QB ALA 18 OK 52 65 - 79 - 6319/2.1=22, 4.5/8526=15...(18) H SER 85 + QB ALA 18 OK 22 81 - 27 - 10413/12032=6...(10) H ALA 25 + QB ALA 18 OK 19 96 - 20 - 8604/8569=5...(7) HD22 ASN 51 - QB ALA 18 poor 9 70 - 13 - 6292/3.6=3, 769/2.1=3...(4) H LEU 64 - QB ALA 18 lone 6 77 - 7 - 10413/12032=2, 9392/12032=1 Peak 8497 from cnoeabs.peaks (8.05, 3.77, 54.96 ppm; 5.41 A): 2 out of 3 assignments used, quality = 0.68: H GLU 17 + HA ALA 18 OK 48 81 - 60 - 6259/2.9=26, 6260/3.6=20...(6) H LYS 90 + HA ALA 18 OK 37 100 - 37 - 9941/9727=7, 3.6/12030=6...(12) H SER 102 - HA ALA 18 lone 8 92 - 9 - 6279/3.6=2, 6266/2.9=2 Peak 8498 from cnoeabs.peaks (7.79, 3.77, 54.96 ppm; 5.42 A): 1 out of 6 assignments used, quality = 0.96: H LYS 20 + HA ALA 18 OK 96 100 - 96 - 6297=50, 4.6/6282=39...(17) H GLU 28 - HA ALA 18 OK 33 99 - 33 - 8495/2.1=6, 6291/3.6=6...(8) H GLU 99 - HA ALA 18 OK 25 100 - 25 - 8495/2.1=6, 6291/3.6=5...(9) H LYS 66 - HA ALA 18 OK 23 96 - 24 - 8495/2.1=5, 6291/3.6=5...(7) HE ARG 30 - HA ALA 18 OK 13 99 - 13 - 8495/2.1=3, 6291/3.6=3...(5) H SER 9 - HA ALA 18 OK 11 70 - 16 - 8495/2.1=3, 4.6/765=3...(5) Peak 8502 from cnoeabs.peaks (4.03, 3.18, 43.16 ppm; 4.07 A): 4 out of 10 assignments used, quality = 0.83: HA LYS 20 + HD2 ARG 19 OK 44 57 - 78 - 2.9/6304=10, 8503/3.0=10...(29) HA LYS 20 + HD3 ARG 19 OK 44 57 - 78 - 2.9/6304=10, 8503/3.0=10...(29) HA GLU 16 + HD2 ARG 19 OK 25 84 - 30 - 8503/3.0=5, 8529=5...(8) HA GLU 16 + HD3 ARG 19 OK 25 84 - 30 - 8503/3.0=5, 8529=5...(8) HB3 SER 59 - HD3 ARG 19 lone 7 99 - 7 - 8503/3.0=2, 11050/2.9=1...(4) HB3 SER 59 - HD2 ARG 19 lone 7 99 - 7 - 8503/3.0=2, 11050/2.9=1...(4) HA LEU 70 - HD3 ARG 19 lone 4 87 - 5 - 10282/9607=1, 10122/10120=1 HA LEU 70 - HD2 ARG 19 lone 4 87 - 5 - 10282/9607=1, 10122/10120=1 HA GLU 95 - HD3 ARG 19 lone 3 94 - 3 - HA GLU 95 - HD2 ARG 19 lone 3 94 - 3 - Peak 8503 from cnoeabs.peaks (4.04, 1.58, 27.71 ppm; 4.53 A): 4 out of 7 assignments used, quality = 0.93: HA LYS 20 + HG2 ARG 19 OK 74 81 - 92 - 798/3.0=15, 788/3.0=14...(32) HA GLU 17 + HG2 ARG 19 OK 45 77 - 59 - 798/3.0=11, 788/3.0=10...(14) HA GLU 16 + HG2 ARG 19 OK 40 97 - 42 - 798/3.0=7, 692/4.9=7...(10) HB3 SER 59 + HG2 ARG 19 OK 13 100 - 12 - 788/3.0=2, 798/3.0=2...(7) HA GLU 95 - HG2 ARG 19 lone 4 77 - 6 - 3.0/7535=1 HB2 SER 49 - HG2 ARG 19 lone 4 57 - 7 - 6294/4.9=1, 798/3.0=1, 788/3.0=1 HA LEU 70 - HG2 ARG 19 lone 2 65 - 3 - Peak 8507 from cnoeabs.peaks (0.64, 3.81, 59.98 ppm; 3.09 A): 6 out of 8 assignments used, quality = 0.94: QD2 LEU 29 + HA ARG 19 OK 71 99 - 72 - 8685=16, 2.1/8688=12...(26) QD1 LEU 29 + HA ARG 19 OK 49 73 - 67 - 2.1/8685=13, 8688=8...(27) QD2 LEU 29 + HA LYS 68 OK 29 93 - 32 - 8685=8, 2.1/8688=6...(8) QG2 VAL 54 + HA ARG 19 OK 19 70 - 27 - 8505/3.0=4, 8515/3.0=3...(11) QD1 LEU 29 + HA LYS 68 OK 18 66 - 27 - 2.1/8685=6, 8688=4...(7) QD1 ILE 7 + HA ARG 19 OK 12 70 - 17 - 8278/4.9=6, ~8250=2...(7) QG2 VAL 54 - HA LYS 68 lone 5 62 - 7 - 2.1/8509=1 QD1 ILE 7 - HA LYS 68 lone 2 62 - 3 - Peak 8509 from cnoeabs.peaks (0.75, 3.81, 59.98 ppm; 3.53 A): 14 out of 24 assignments used, quality = 0.95: QG1 VAL 78 + HA LYS 68 OK 31 87 - 36 - 10904=10, 10351/3.0=7...(12) QG1 VAL 54 + HA ARG 19 OK 28 97 - 29 - 2.1/779=4, 2.1/8507=4...(12) QD1 ILE 15 + HA ARG 19 OK 27 99 - 27 - ~10415=6, 4.2/8452=5...(9) HG13 ILE 15 + HA ARG 19 OK 21 100 - 21 - ~10415=6, 4.1/8452=5...(7) QG2 ILE 93 + HA ARG 19 OK 20 99 - 20 - ~11005=5, 11002/786=4...(6) QD1 LEU 64 + HA LYS 68 OK 18 76 - 24 - ~9530=4, 10243/4.0=3...(12) QG1 VAL 78 + HA ARG 19 OK 17 94 - 18 - 10904=5, 2.1/10905=4...(5) QD1 ILE 93 + HA ARG 19 OK 17 77 - 22 - 10020/4.9=10...(4) HG13 ILE 93 + HA ARG 19 OK 15 90 - 17 - 10022/4.9=7, ~11005=6 QG2 ILE 93 + HA LYS 68 OK 14 94 - 15 - 4.3/12163=3, 11002/786=2 QD1 LEU 27 + HA ARG 19 OK 14 81 - 17 - 2.1/8640=3, 1227/3.6=2...(5) QD1 LEU 27 + HA LYS 68 OK 13 73 - 18 - 2.1/8640=4, ~9531=1...(4) QG1 VAL 54 + HA LYS 68 OK 13 90 - 14 - 10658/4.8=2, 2501/3.0=1...(4) QD2 LEU 42 + HA LYS 68 OK 12 79 - 15 - 1950/2.9=3, ~1934=2...(7) QD1 ILE 15 - HA LYS 68 lone 8 93 - 9 - 4.2/8452=1 HG13 ILE 15 - HA LYS 68 lone 7 95 - 7 - 4.1/8452=2 QD2 LEU 42 - HA ARG 19 lone 6 87 - 6 - QD1 ILE 93 - HA LYS 68 lone 6 69 - 8 - 10020/8511=1 HG13 ILE 93 - HA LYS 68 lone 5 82 - 6 - QD1 LEU 64 - HA ARG 19 lone 3 84 - 4 - QD1 LEU 6 - HA LYS 68 lone 3 66 - 4 - QD1 LEU 6 - HA ARG 19 lone 1 73 - 2 - HG3 ARG 81 - HA LYS 68 lone 1 69 - 2 - HG3 ARG 81 - HA ARG 19 lone 1 77 - 1 - Peak 8510 from cnoeabs.peaks (0.97, 3.81, 59.98 ppm; 4.18 A): 4 out of 6 assignments used, quality = 0.77: QG2 THR 80 + HA LYS 68 OK 50 76 - 66 - 9529/2.9=18...(15) HG LEU 55 + HA LYS 68 OK 27 95 - 28 - 9529/2.9=5, 10256/4.0=5...(8) QG2 VAL 83 + HA LYS 68 OK 22 94 - 23 - 9534/3.6=5, 9529/2.9=5...(6) QG2 THR 80 + HA ARG 19 OK 21 84 - 25 - 10915/3.0=11, ~11120=6...(5) QG2 VAL 83 - HA ARG 19 lone 9 99 - 9 - 9815/3.0=2, ~9814=2, 9779/6321=1 HG LEU 55 - HA ARG 19 lone 4 100 - 4 - Peak 8511 from cnoeabs.peaks (1.22, 3.81, 59.98 ppm; 4.46 A): 2 out of 2 assignments used, quality = 0.93: QB ALA 18 + HA ARG 19 OK 91 94 - 97 - 4.9=75, 6283/3.0=37...(16) QB ALA 18 + HA LYS 68 OK 22 87 - 25 - 3.6/777=7, 8672/8688=4...(8) Peak 8512 from cnoeabs.peaks (1.16, 3.81, 59.98 ppm; 4.95 A): 3 out of 10 assignments used, quality = 0.96: HB2 LEU 29 + HA ARG 19 OK 87 100 - 87 - 3.1/8685=22, 3.1/8688=20...(23) HB2 LEU 29 + HA LYS 68 OK 51 95 - 54 - 3.1/8685=10, 8679=10...(14) HG2 LYS 40 + HA LYS 68 OK 33 95 - 34 - 1808/4.0=5, 1811/4.0=4...(13) QG2 THR 31 - HA ARG 19 OK 16 70 - 23 - 8734/3.0=5, 10143/5.4=4...(7) HB3 LEU 3 - HA ARG 19 OK 10 96 - 11 - 1305/8688=2, 1297/8685=2...(4) HG2 LYS 40 - HA ARG 19 lone 8 100 - 8 - 1305/8688=1, 1297/8685=1 HB3 LEU 3 - HA LYS 68 lone 7 89 - 8 - ~8115=1 QG2 THR 34 - HA LYS 68 lone 5 62 - 7 - ~10524=2, 8767/2.9=2 QG2 THR 31 - HA LYS 68 lone 4 62 - 7 - 4.0/12278=2 QG2 THR 34 - HA ARG 19 lone 2 70 - 3 - Peak 8513 from cnoeabs.peaks (2.50, 3.81, 59.98 ppm; 5.48 A): 4 out of 16 assignments used, quality = 0.57: HG3 GLU 23 + HA ARG 19 OK 24 94 - 26 - 12291/4.0=11, 5.0/6357=7...(5) HB2 ASP 36 + HA LYS 68 OK 20 92 - 22 - 3.6/2986=6, ~1562=4...(8) HB3 ASP 36 + HA LYS 68 OK 20 90 - 22 - 3.6/2986=6, ~1562=4...(8) HG3 GLU 23 + HA LYS 68 OK 12 87 - 14 - 5.0/6357=5, 10459/1007=1 HB3 ASP 87 - HA LYS 68 lone 8 95 - 8 - ~9953=4 HB2 ASP 87 - HA LYS 68 lone 8 95 - 8 - ~9953=4 HB3 ASP 87 - HA ARG 19 lone 7 100 - 7 - 12291/4.0=3 HB2 ASP 87 - HA ARG 19 lone 7 100 - 7 - 12291/4.0=3 HD2 ARG 91 - HA ARG 19 lone 7 84 - 8 - 12291/4.0=3 HB2 ASP 36 - HA ARG 19 lone 4 98 - 4 - HB3 ASP 36 - HA ARG 19 lone 4 97 - 4 - HG3 GLU 63 - HA ARG 19 lone 4 73 - 5 - HB2 ASP 61 - HA LYS 68 lone 3 84 - 3 - HG3 GLU 63 - HA LYS 68 lone 3 66 - 4 - HD2 ARG 91 - HA LYS 68 lone 2 76 - 3 - HB2 ASP 61 - HA ARG 19 lone 2 92 - 2 - Peak 8514 from cnoeabs.peaks (0.80, 1.89, 29.57 ppm; 4.52 A): 4 out of 8 assignments used, quality = 0.93: QG2 ILE 15 + HB2 ARG 19 OK 54 94 - 58 - 10415/3.9=17...(16) QD1 ILE 76 + HB2 ARG 19 OK 50 100 - 50 - 3456/3.9=10, 8516/1.8=8...(16) QG2 ILE 8 + HB2 ARG 19 OK 49 81 - 61 - 12205/1.8=9, 8519/3.0=8...(21) QG2 ILE 7 + HB2 ARG 19 OK 44 100 - 44 - 8283/10439=11...(12) QD2 LEU 57 - HB2 ARG 19 OK 16 99 - 16 - 8519/3.0=3, 8516/1.8=3...(6) QD2 LEU 70 - HB2 ARG 19 OK 12 97 - 12 - 8516/1.8=2, 8519/3.0=2 QD2 LEU 2 - HB2 ARG 19 lone 9 96 - 9 - 8516/1.8=2, 8504/3.9=1 QD1 LEU 70 - HB2 ARG 19 lone 7 77 - 9 - ~8516=1, 8516/1.8=1, ~8519=1 Peak 8515 from cnoeabs.peaks (0.65, 1.89, 29.57 ppm; 4.08 A): 3 out of 3 assignments used, quality = 0.99: QD2 LEU 29 + HB2 ARG 19 OK 90 99 - 91 - 8685/3.0=21, 8673/3.0=20...(31) QD1 LEU 29 + HB2 ARG 19 OK 88 98 - 90 - 8688/3.0=19, 8517/1.8=15...(29) QG2 VAL 54 + HB2 ARG 19 OK 54 97 - 56 - 8517/1.8=8, 2495=7...(19) Peak 8516 from cnoeabs.peaks (0.80, 1.93, 29.57 ppm; 4.46 A): 7 out of 8 assignments used, quality = 0.95: QG2 ILE 15 + HB3 ARG 19 OK 51 94 - 54 - 10415/3.9=16, 8514/1.8=9...(12) QD1 ILE 76 + HB3 ARG 19 OK 49 100 - 49 - 3456/3.9=9, 8514/1.8=8...(15) QG2 ILE 8 + HB3 ARG 19 OK 47 81 - 58 - 8519/3.0=8, 8514/1.8=8...(20) QG2 ILE 7 + HB3 ARG 19 OK 42 100 - 43 - 8283/10440=10...(13) QD2 LEU 57 + HB3 ARG 19 OK 16 99 - 16 - 8519/3.0=3, 8514/1.8=3...(6) QD2 LEU 70 + HB3 ARG 19 OK 12 97 - 12 - 8514/1.8=2, 8519/3.0=2 QD2 LEU 2 + HB3 ARG 19 OK 10 96 - 10 - 8514/1.8=1, 8504/3.9=1 QD1 LEU 70 - HB3 ARG 19 lone 7 77 - 9 - ~8514=1, 8514/1.8=1, ~8519=1 Peak 8517 from cnoeabs.peaks (0.65, 1.93, 29.57 ppm; 4.06 A): 3 out of 3 assignments used, quality = 0.99: QD2 LEU 29 + HB3 ARG 19 OK 89 99 - 91 - 8685/3.0=21, 8673/3.0=20...(30) QD1 LEU 29 + HB3 ARG 19 OK 87 98 - 89 - 8688/3.0=19, 8515/1.8=14...(30) QG2 VAL 54 + HB3 ARG 19 OK 49 97 - 50 - 8515/1.8=9, 8520/3.0=6...(16) Peak 8518 from cnoeabs.peaks (0.66, 1.58, 27.71 ppm; 3.67 A): 2 out of 4 assignments used, quality = 0.80: QD1 LEU 29 + HG2 ARG 19 OK 72 94 - 76 - ~8673=13, 8688/4.0=11...(31) QG2 VAL 54 + HG2 ARG 19 OK 29 96 - 30 - 2.1/810=5, 2495/3.0=5...(11) QG2 VAL 58 - HG2 ARG 19 poor 9 84 - 11 - 9380/1.8=1, ~9375=1...(5) QD1 LEU 14 - HG2 ARG 19 lone 5 77 - 6 - Peak 8519 from cnoeabs.peaks (0.80, 1.76, 27.71 ppm; 4.26 A): 5 out of 9 assignments used, quality = 0.86: QG2 ILE 8 + HG3 ARG 19 OK 46 94 - 49 - 12205/3.0=8, 2.1/819=7...(20) QD1 ILE 76 + HG3 ARG 19 OK 39 99 - 39 - 3456/4.9=7, 8516/3.0=6...(13) QG2 ILE 15 + HG3 ARG 19 OK 32 81 - 40 - 10415/4.9=9, 10120/3.0=7...(9) QG2 ILE 7 + HG3 ARG 19 OK 28 100 - 29 - 8504/4.9=5, 8516/3.0=5...(8) QD2 LEU 57 + HG3 ARG 19 OK 16 100 - 16 - 9343/3.6=2, 8516/3.0=2...(8) QD2 LEU 70 - HG3 ARG 19 poor 9 87 - 11 - 8516/3.0=1, 8514/3.0=1 QD2 LEU 2 - HG3 ARG 19 lone 6 84 - 8 - 8516/3.0=1, 8514/3.0=1 QD1 LEU 70 - HG3 ARG 19 lone 5 57 - 8 - QG2 ILE 52 - HG3 ARG 19 lone 3 70 - 5 - 8527/4.9=1 Peak 8520 from cnoeabs.peaks (0.64, 1.76, 27.71 ppm; 3.71 A): 2 out of 3 assignments used, quality = 0.96: QD2 LEU 29 + HG3 ARG 19 OK 85 100 - 86 - 8673=30, ~8518=14...(28) QD1 LEU 29 + HG3 ARG 19 OK 70 90 - 78 - 2.1/8673=21, 8688/4.0=10...(29) QG2 VAL 54 - HG3 ARG 19 OK 34 87 - 38 - 8515/3.0=6, 8517/3.0=5...(14) Peak 8521 from cnoeabs.peaks (0.80, 3.18, 43.16 ppm; 3.90 A): 10 out of 18 assignments used, quality = 0.95: QD1 ILE 76 + HD3 ARG 19 OK 35 99 - 35 - 8519/3.0=5, 8516/3.6=4...(13) QD1 ILE 76 + HD2 ARG 19 OK 35 99 - 35 - 8519/3.0=5, 8516/3.6=4...(13) QG2 ILE 15 + HD2 ARG 19 OK 29 81 - 36 - 10120=8, 10120/1.8=7...(8) QG2 ILE 15 + HD3 ARG 19 OK 29 81 - 36 - 10120=8, 10120/1.8=7...(8) QG2 ILE 8 + HD3 ARG 19 OK 28 94 - 29 - 8519/3.0=6, 12205/3.6=6...(11) QG2 ILE 8 + HD2 ARG 19 OK 28 94 - 29 - 8519/3.0=6, 12205/3.6=6...(11) QG2 ILE 7 + HD2 ARG 19 OK 20 100 - 20 - 8519/3.0=4, 8516/3.6=4...(6) QG2 ILE 7 + HD3 ARG 19 OK 20 100 - 20 - 8519/3.0=4, 8516/3.6=4...(6) QD2 LEU 57 + HD2 ARG 19 OK 13 100 - 13 - 8519/3.0=2, 9343/2.9=2...(5) QD2 LEU 57 + HD3 ARG 19 OK 13 100 - 13 - 8519/3.0=2, 9343/2.9=2...(5) QD2 LEU 70 - HD3 ARG 19 lone 7 87 - 8 - 8519/3.0=1, 11048/2.9=1...(4) QD2 LEU 70 - HD2 ARG 19 lone 7 87 - 8 - 8519/3.0=1, 11048/2.9=1...(4) QD2 LEU 2 - HD2 ARG 19 lone 5 84 - 6 - QD2 LEU 2 - HD3 ARG 19 lone 5 84 - 6 - QD1 LEU 70 - HD2 ARG 19 lone 4 57 - 6 - QD1 LEU 70 - HD3 ARG 19 lone 4 57 - 6 - QG2 ILE 52 - HD2 ARG 19 lone 2 70 - 3 - QG2 ILE 52 - HD3 ARG 19 lone 2 70 - 3 - Peak 8522 from cnoeabs.peaks (0.64, 3.18, 43.16 ppm; 4.03 A): 4 out of 6 assignments used, quality = 1.00: QD2 LEU 29 + HD2 ARG 19 OK 83 100 - 83 - 8673/3.0=20, 8686=17...(23) QD2 LEU 29 + HD3 ARG 19 OK 83 100 - 83 - 8673/3.0=20, 8686=17...(23) QD1 LEU 29 + HD2 ARG 19 OK 69 90 - 77 - 2.1/8686=13, 8520/3.0=12...(23) QD1 LEU 29 + HD3 ARG 19 OK 69 90 - 77 - 2.1/8686=13, 8520/3.0=12...(23) QG2 VAL 54 - HD3 ARG 19 OK 31 87 - 36 - 8515/3.6=6, 8520/3.0=6...(13) QG2 VAL 54 - HD2 ARG 19 OK 31 87 - 36 - 8515/3.6=6, 8520/3.0=6...(13) Peak 8523 from cnoeabs.peaks (1.44, 3.18, 43.16 ppm; 5.40 A): 4 out of 30 assignments used, quality = 1.00: HG LEU 29 + HD3 ARG 19 OK 84 96 - 88 - ~8518=21, ~8673=20...(21) HG LEU 29 + HD2 ARG 19 OK 84 96 - 88 - ~8518=21, ~8673=20...(21) HG2 LYS 20 + HD2 ARG 19 OK 56 81 - 70 - 4.9/6304=13, 3.7/8502=11...(17) HG2 LYS 20 + HD3 ARG 19 OK 56 81 - 70 - 4.9/6304=13, 3.7/8502=11...(17) HG13 ILE 76 - HD2 ARG 19 OK 43 97 - 44 - ~8519=6, ~11048=6...(13) HG13 ILE 76 - HD3 ARG 19 OK 43 97 - 44 - ~8519=6, ~11048=6...(13) QB ALA 22 - HD2 ARG 19 OK 41 96 - 43 - 10456/3.0=16, 1007/5.4=8...(12) QB ALA 22 - HD3 ARG 19 OK 41 96 - 43 - 10456/3.0=16, 1007/5.4=8...(12) HD2 LYS 82 - HD3 ARG 19 OK 36 73 - 49 - 2.9/8524=9, ~8524=7...(18) HD2 LYS 82 - HD2 ARG 19 OK 36 73 - 49 - 2.9/8524=9, ~8524=7...(18) HB2 LEU 27 - HD3 ARG 19 OK 12 81 - 14 - 4.4/834=2, 8506/6.3=1...(4) HB2 LEU 27 - HD2 ARG 19 OK 12 81 - 14 - 4.4/834=2, 8506/6.3=1...(4) HG12 ILE 7 - HD3 ARG 19 OK 11 61 - 18 - ~8519=4, ~11048=3...(6) HG12 ILE 7 - HD2 ARG 19 OK 11 61 - 18 - ~8519=4, ~11048=3...(6) HG3 LYS 39 - HD3 ARG 19 OK 11 100 - 11 - 9602/9607=2...(4) HG3 LYS 39 - HD2 ARG 19 OK 11 100 - 11 - 9602/9607=2...(4) HG3 ARG 91 - HD3 ARG 19 OK 10 94 - 10 - ~12291=3 HG3 ARG 91 - HD2 ARG 19 OK 10 94 - 10 - ~12291=3 HG2 LYS 12 - HD3 ARG 19 lone 9 100 - 9 - HG2 LYS 12 - HD2 ARG 19 lone 9 100 - 9 - HG2 LYS 13 - HD3 ARG 19 lone 6 84 - 7 - HG2 LYS 13 - HD2 ARG 19 lone 6 84 - 7 - HB2 LEU 38 - HD3 ARG 19 lone 4 87 - 5 - HB2 LEU 38 - HD2 ARG 19 lone 4 87 - 5 - HG13 ILE 52 - HD2 ARG 19 lone 4 81 - 5 - HG13 ILE 52 - HD3 ARG 19 lone 4 81 - 5 - HD2 LYS 53 - HD3 ARG 19 lone 3 73 - 3 - HD2 LYS 53 - HD2 ARG 19 lone 3 73 - 3 - HG LEU 38 - HD3 ARG 19 lone 2 73 - 3 - HG LEU 38 - HD2 ARG 19 lone 2 73 - 3 - Peak 8524 from cnoeabs.peaks (1.14, 3.18, 43.16 ppm; 5.72 A): 4 out of 6 assignments used, quality = 0.92: HG3 LYS 82 + HD2 ARG 19 OK 54 100 - 54 - 3684/3.0=9, ~3673=7...(22) HG3 LYS 82 + HD3 ARG 19 OK 54 100 - 54 - 3684/3.0=9, ~3673=7...(22) QG2 THR 31 + HD3 ARG 19 OK 41 100 - 41 - 10143/1.8=16...(5) QG2 THR 31 + HD2 ARG 19 OK 41 100 - 41 - 10143/1.8=16...(5) HB3 LEU 3 - HD2 ARG 19 lone 4 87 - 5 - HB3 LEU 3 - HD3 ARG 19 lone 4 87 - 5 - Peak 8525 from cnoeabs.peaks (2.14, 3.18, 43.16 ppm; 5.90 A): 0 out of 20 assignments used, low quality = 0.29: HB3 GLU 23 - HD3 ARG 19 OK 15 73 - 21 - ~12291=13, ~10464=6 HB3 GLU 23 - HD2 ARG 19 OK 15 73 - 21 - ~12291=13, ~10464=6 HG2 GLU 88 - HD2 ARG 19 lone 8 99 - 8 - 3892/14639=2, ~11047=1 HG2 GLU 88 - HD3 ARG 19 lone 8 99 - 8 - 3892/14639=2, ~11047=1 HB2 GLU 75 - HD2 ARG 19 lone 4 100 - 4 - 9623/12327=2 HB2 GLU 75 - HD3 ARG 19 lone 4 100 - 4 - 9623/12327=2 HB3 GLU 69 - HD2 ARG 19 lone 4 90 - 4 - ~10803=1 HB3 GLU 69 - HD3 ARG 19 lone 4 90 - 4 - ~10803=1 HB2 GLU 69 - HD2 ARG 19 lone 4 90 - 4 - ~10803=1 HB2 GLU 69 - HD3 ARG 19 lone 4 90 - 4 - ~10803=1 HB3 GLU 37 - HD3 ARG 19 lone 3 87 - 3 - HB3 GLU 37 - HD2 ARG 19 lone 3 87 - 3 - HG2 GLU 44 - HD2 ARG 19 lone 3 100 - 3 - HG2 GLU 44 - HD3 ARG 19 lone 3 100 - 3 - HG2 GLU 69 - HD3 ARG 19 lone 2 90 - 3 - HG2 GLU 69 - HD2 ARG 19 lone 2 90 - 3 - HG2 GLU 104 - HD2 ARG 19 lone 2 92 - 2 - HG2 GLU 104 - HD3 ARG 19 lone 2 92 - 2 - HB2 PRO 86 - HD3 ARG 19 lone 1 65 - 2 - HB2 PRO 86 - HD2 ARG 19 lone 1 65 - 2 - Peak 8529 from cnoeabs.peaks (3.18, 4.04, 59.03 ppm; 4.36 A): 7 out of 15 assignments used, quality = 0.95: HD2 ARG 19 + HA LYS 20 OK 51 60 - 85 - 3.6/798=14, 3.6/788=13...(29) HD3 ARG 19 + HA LYS 20 OK 51 60 - 85 - 3.6/798=14, 3.6/788=13...(29) HD2 ARG 19 + HA GLU 16 OK 38 100 - 38 - 3.6/798=7, 3.6/788=6...(8) HD3 ARG 19 + HA GLU 16 OK 38 100 - 38 - 3.6/798=7, 3.6/788=6...(8) HD3 ARG 46 + HA GLU 16 OK 21 73 - 29 - ~2104=4, ~6753=4...(10) HD2 ARG 19 + HA GLU 17 OK 16 36 - 45 - 3.6/798=9, 3.6/788=9...(14) HD3 ARG 19 + HA GLU 17 OK 16 36 - 45 - 3.6/798=9, 3.6/788=9...(14) HB3 TRP 92 - HA GLU 16 lone 2 65 - 3 - HB2 HIS 106 - HA GLU 16 lone 2 97 - 2 - HB2 HIS 106 - HA LYS 20 lone 2 55 - 3 - 6305/2.9=1 HD3 ARG 46 - HA LYS 20 lone 1 37 - 3 - HD3 ARG 46 - HA GLU 17 lone 1 21 - 3 - HB2 HIS 106 - HA GLU 17 lone 1 32 - 1 - HB3 TRP 92 - HA LYS 20 lone 1 32 - 2 - HB3 TRP 92 - HA GLU 17 lone 0 18 - 1 - Peak 8530 from cnoeabs.peaks (0.80, 4.04, 59.03 ppm; 3.85 A): 7 out of 27 assignments used, quality = 0.82: QG2 ILE 15 + HA GLU 16 OK 51 87 - 59 - 660/3.0=12, 10122=10...(16) QD1 ILE 76 + HA GLU 16 OK 30 100 - 30 - 3.2/9638=6, 9630/3.0=6...(8) QG2 ILE 8 + HA LYS 20 OK 16 48 - 34 - 12205/3.0=6, 299/3.0=2...(14) QG2 ILE 7 + HA GLU 16 OK 14 100 - 14 - 6232/3.0=2, ~8474=2...(4) QG2 ILE 7 + HA GLU 17 OK 11 36 - 32 - 8283/5.0=17, 8244/3.6=9...(5) QG2 ILE 15 + HA GLU 17 OK 11 27 - 42 - ~6247=12, 4.4/6236=6...(14) QG2 ILE 8 + HA GLU 16 OK 10 90 - 11 - 8310/4.1=1, 10421/3.0=1 QG2 ILE 15 - HA LYS 20 poor 8 46 - 18 - 4.4/6236=3, ~8436=3...(5) QD2 LEU 70 - HA GLU 16 lone 8 92 - 9 - 6232/3.0=2, ~6232=1 QD1 ILE 76 - HA LYS 20 poor 8 59 - 14 - 3.2/9638=2, 3.2/9661=2...(4) QD1 ILE 76 - HA GLU 17 poor 8 35 - 22 - 3.2/9638=4, ~9627=3...(7) QD2 LEU 2 - HA GLU 16 lone 6 90 - 7 - 6232/3.0=1 QG2 ILE 7 - HA LYS 20 poor 6 60 - 11 - 8283/8491=2, 8244/6265=1 QD1 LEU 70 - HA GLU 16 lone 6 65 - 9 - 6232/3.0=2, ~6232=1 QG2 ILE 52 - HA LYS 20 poor 5 30 - 17 - 3.1/9171=2, 8527/2.9=1 QG2 ILE 52 - HA GLU 16 lone 5 61 - 8 - 10421/3.0=1 QD2 LEU 57 - HA GLU 16 lone 4 100 - 4 - QD2 LEU 2 - HA GLU 17 poor 5 28 - 16 - ~12026=4, 8057/2.9=4...(5) QG2 ILE 8 - HA GLU 17 poor 4 28 - 15 - 12205/2.9=3, 10428/2.9=1...(6) QD2 LEU 70 - HA GLU 17 lone 2 29 - 7 - QD2 LEU 57 - HA LYS 20 lone 2 60 - 3 - QD2 LEU 2 - HA LYS 20 lone 2 48 - 3 - QD2 LEU 70 - HA LYS 20 lone 1 50 - 3 - QD2 LEU 57 - HA GLU 17 lone 1 35 - 3 - QD1 LEU 70 - HA GLU 17 lone 1 18 - 5 - QG2 ILE 52 - HA GLU 17 lone 1 17 - 6 - QD1 LEU 70 - HA LYS 20 lone 1 32 - 2 - Peak 8532 from cnoeabs.peaks (8.27, 4.41, 57.01 ppm; 5.23 A): 2 out of 8 assignments used, quality = 0.93: H GLU 23 + HA MET 21 OK 79 94 - 84 - 6361/3.6=35, 6359/3.0=24...(14) H LYS 94 + HA MET 21 OK 65 100 - 65 - 8534/3.9=15, 8536/5.3=13...(13) H ALA 71 - HA MET 21 OK 22 97 - 23 - 8534/3.9=5, 8536/5.3=4...(8) H PHE 45 - HA MET 21 OK 14 97 - 14 - 8534/3.9=3, 8536/5.3=2...(6) H GLU 23 - HA HIS 106 OK 12 84 - 14 - 4.7/955=3, 6360=3...(5) H LYS 94 - HA HIS 106 lone 6 93 - 7 - H ALA 71 - HA HIS 106 lone 2 88 - 3 - H PHE 45 - HA HIS 106 lone 2 88 - 2 - Peak 8533 from cnoeabs.peaks (8.27, 2.40, 32.03 ppm; 5.28 A): 4 out of 10 assignments used, quality = 0.99: H LYS 94 + HB3 MET 21 OK 69 96 - 73 - 8534/3.0=17...(13) H LYS 94 + HG3 MET 21 OK 68 92 - 75 - 8534/1.8=20...(14) H GLU 23 + HB3 MET 21 OK 68 99 - 68 - 6361/4.6=33, 6359/4.0=23...(9) H GLU 23 + HG3 MET 21 OK 55 96 - 57 - 6359/5.1=19, 8534/1.8=14...(10) H ALA 71 - HB3 MET 21 OK 20 87 - 23 - 8534/3.0=6, 8532/3.0=4...(8) H ALA 71 - HG3 MET 21 OK 20 82 - 24 - 8534/1.8=7, 8536/3.4=4...(8) H PHE 45 - HB3 MET 21 OK 13 87 - 14 - 8534/3.0=3, 8532/3.0=2...(5) H PHE 45 - HG3 MET 21 OK 12 82 - 14 - 8534/1.8=4, 8536/3.4=2...(4) H LEU 103 - HB3 MET 21 lone 7 77 - 9 - 6354/4.6=3, 6339/4.0=2 H LEU 103 - HG3 MET 21 lone 4 72 - 6 - 6339/5.1=2, 4.5/8547=1 Peak 8534 from cnoeabs.peaks (8.27, 2.94, 31.91 ppm; 4.67 A): 4 out of 4 assignments used, quality = 0.89: H LYS 94 + HG2 MET 21 OK 68 100 - 68 - 8536/3.4=16, 4.3/8558=12...(16) H GLU 23 + HG2 MET 21 OK 48 94 - 52 - 4.7/984=17, 6359/5.1=13...(9) H ALA 71 + HG2 MET 21 OK 23 97 - 23 - 8536/3.4=5, 8532/3.9=3...(11) H PHE 45 + HG2 MET 21 OK 13 97 - 13 - 8536/3.4=3, 8532/3.9=2...(5) Peak 8535 from cnoeabs.peaks (8.37, 2.10, 17.93 ppm; 4.57 A): 3 out of 4 assignments used, quality = 0.70: H ILE 93 + QE MET 21 OK 47 90 - 52 - 4.0/10319=16...(10) H GLU 95 + QE MET 21 OK 38 81 - 47 - 3.6/8541=15, 4.6/8536=14...(9) H GLU 63 + QE MET 21 OK 11 92 - 12 - 10977/8537=5, 7016=2 H TYR 4 - QE MET 21 poor 9 81 - 11 - 4138/10319=1, 7505/8536=1 Peak 8536 from cnoeabs.peaks (8.26, 2.10, 17.93 ppm; 3.85 A): 4 out of 5 assignments used, quality = 0.78: H LYS 94 + QE MET 21 OK 61 97 - 63 - 3.0/8541=13...(18) H GLU 23 + QE MET 21 OK 22 61 - 36 - 4.7/1000=10, 8534/3.4=5...(11) H ALA 71 + QE MET 21 OK 19 100 - 19 - 3.0/8541=3, 8534/3.4=3...(5) H PHE 45 + QE MET 21 OK 11 100 - 11 - 8534/3.4=2 H LEU 27 - QE MET 21 lone 6 73 - 8 - 4.6/8620=2, 5.0/10443=1 Peak 8537 from cnoeabs.peaks (8.05, 2.10, 17.93 ppm; 4.47 A): 2 out of 3 assignments used, quality = 0.76: H LYS 90 + QE MET 21 OK 72 98 - 74 - 3.0/8543=21, 9944=12...(19) H SER 102 + QE MET 21 OK 13 97 - 13 - 4.0/8542=3, 3.6/8541=2 H GLU 17 - QE MET 21 poor 9 90 - 11 - 2.9/8540=4, 3911/8543=1 Peak 8538 from cnoeabs.peaks (7.57, 2.10, 17.93 ppm; 5.19 A): 4 out of 4 assignments used, quality = 0.79: H GLU 88 + QE MET 21 OK 52 99 - 53 - 3.0/8543=14, 956/5.3=8...(13) H LYS 24 + QE MET 21 OK 40 98 - 41 - 956/5.3=10, 4.6/8536=6...(9) H ILE 76 + QE MET 21 OK 17 97 - 18 - 956/5.3=4, 9645/4.3=3...(5) H LEU 14 + QE MET 21 OK 12 77 - 16 - 4.8/10445=4, 4.8/10407=2...(4) Peak 8539 from cnoeabs.peaks (7.48, 2.10, 17.93 ppm; 5.06 A): 3 out of 6 assignments used, quality = 0.73: H ARG 91 + QE MET 21 OK 61 96 - 64 - 3.6/8543=22, 4.6/8537=22...(14) H LYS 47 + QE MET 21 OK 21 98 - 22 - 3.6/8540=7, 6759/8536=2...(6) HE ARG 46 + QE MET 21 OK 13 96 - 13 - 6.5/8540=4, 7425/8537=2 H ILE 52 - QE MET 21 poor 9 73 - 13 - 4.6/997=5, 6855/3.4=3 HD22 ASN 26 - QE MET 21 lone 7 92 - 7 - 5.5/8620=2 HZ2 TRP 92 - QE MET 21 lone 4 84 - 5 - 2.8/9972=2 Peak 8540 from cnoeabs.peaks (4.07, 2.10, 17.93 ppm; 4.45 A): 0 out of 5 assignments used, low quality = 0.16: HA PRO 86 - QE MET 21 OK 16 65 - 24 - 3.5/7378=4, 3.8/10444=3...(12) HA ARG 46 - QE MET 21 lone 9 100 - 9 - 3.6/8539=4, 6.5/8539=1 HA LYS 66 - QE MET 21 lone 9 98 - 9 - 5.1/10443=2, 5.1/10444=2 HB2 SER 49 - QE MET 21 lone 8 81 - 9 - 1.8/8541=4, 9074/5.3=2, ~9049=1 HA GLU 17 - QE MET 21 lone 5 61 - 9 - 2.9/8537=3, 6318/6.1=2 Peak 8541 from cnoeabs.peaks (3.86, 2.10, 17.93 ppm; 3.65 A): 2 out of 9 assignments used, quality = 0.54: HA LYS 94 + QE MET 21 OK 44 94 - 47 - 3.0/8536=14, 3.7/8551=10...(11) HA ALA 67 + QE MET 21 OK 18 100 - 18 - 2.1/8551=6, 4.8/8542=5, ~8557=2 HA ALA 71 - QE MET 21 poor 10 90 - 11 - 3.0/8536=4, ~8534=1 HB3 SER 49 - QE MET 21 lone 8 100 - 8 - 1.8/8540=4 HA LYS 12 - QE MET 21 lone 7 100 - 6 - 3.7/10443=1 HA LYS 40 - QE MET 21 lone 5 96 - 6 - 3.6/8880=1 HA2 GLY 101 - QE MET 21 lone 5 94 - 5 - 3.6/8537=3 HA2 GLY 100 - QE MET 21 lone 3 94 - 3 - HA LEU 38 - QE MET 21 lone 3 70 - 4 - Peak 8542 from cnoeabs.peaks (3.79, 2.10, 17.93 ppm; 4.26 A): 3 out of 4 assignments used, quality = 0.55: HA LYS 68 + QE MET 21 OK 28 90 - 32 - 8545/3.4=11, 4.8/8541=4...(9) HA ALA 18 + QE MET 21 OK 23 61 - 37 - 6319/6.1=9, 959/4.3=8...(9) HA ARG 19 + QE MET 21 OK 18 77 - 24 - 8545/3.4=8, 6321/6.1=5...(6) HB3 SER 102 - QE MET 21 poor 8 73 - 11 - 4.0/8537=3, 8545/3.4=3 Peak 8543 from cnoeabs.peaks (3.66, 2.10, 17.93 ppm; 3.99 A): 3 out of 3 assignments used, quality = 0.88: HA LYS 90 + QE MET 21 OK 76 97 - 78 - 3.0/8537=20, 8546/3.4=15...(25) HA GLU 88 + QE MET 21 OK 42 100 - 42 - 3.0/8538=9, 8546/3.4=8...(12) HB THR 80 + QE MET 21 OK 12 70 - 17 - 2.1/9728=3, 8549/4.3=3...(7) Peak 8545 from cnoeabs.peaks (3.80, 2.94, 31.91 ppm; 4.84 A): 2 out of 4 assignments used, quality = 0.54: HA LYS 68 + HG2 MET 21 OK 37 98 - 37 - 8542/3.4=13, 8547/1.8=6...(10) HA ARG 19 + HG2 MET 21 OK 28 92 - 31 - 6321/5.1=10, 8542/3.4=8...(5) HB3 SER 102 - HG2 MET 21 poor 10 90 - 10 - 8542/3.4=4, 8547/1.8=2...(4) HA SER 97 - HG2 MET 21 lone 4 70 - 5 - 6321/5.1=2 Peak 8546 from cnoeabs.peaks (3.66, 2.94, 31.91 ppm; 4.22 A): 3 out of 3 assignments used, quality = 0.90: HA LYS 90 + HG2 MET 21 OK 80 97 - 83 - 8543/3.4=18, 9949/1.8=17...(24) HA GLU 88 + HG2 MET 21 OK 44 100 - 44 - 8543/3.4=10, 8549/3.0=8...(14) HB THR 80 + HG2 MET 21 OK 13 70 - 19 - 8549/3.0=4, 8543/3.4=3...(7) Peak 8547 from cnoeabs.peaks (3.79, 2.40, 31.91 ppm; 4.88 A): 6 out of 8 assignments used, quality = 0.89: HA ALA 18 + HB3 MET 21 OK 38 57 - 67 - 6319/4.0=21, 6341/4.6=20...(10) HA ALA 18 + HG3 MET 21 OK 34 61 - 56 - 6319/5.1=17, 959/3.0=14...(10) HA LYS 68 + HG3 MET 21 OK 33 90 - 37 - 8545/1.8=18, 8542/3.4=13...(6) HA LYS 68 + HB3 MET 21 OK 30 85 - 35 - 8545/3.0=15, 8542/4.3=11...(6) HA ARG 19 + HB3 MET 21 OK 26 72 - 35 - 8545/3.0=12, 6321/4.0=11...(4) HA ARG 19 + HG3 MET 21 OK 24 77 - 31 - 8545/1.8=14, 6321/5.1=9...(4) HB3 SER 102 - HG3 MET 21 poor 9 73 - 12 - 8545/1.8=5, 8542/3.4=4 HB3 SER 102 - HB3 MET 21 poor 8 69 - 12 - 8545/3.0=4, 8542/4.3=3...(4) Peak 8548 from cnoeabs.peaks (3.67, 2.40, 31.91 ppm; 4.46 A): 2 out of 8 assignments used, quality = 0.96: HA LYS 90 + HG3 MET 21 OK 83 100 - 83 - 9949=24, 8546/1.8=20...(22) HA LYS 90 + HB3 MET 21 OK 74 97 - 76 - 9949=21, 8549/1.8=19...(17) HA GLU 88 - HG3 MET 21 OK 36 84 - 43 - 8546/1.8=11, 8543/3.4=9...(10) HA GLU 88 - HB3 MET 21 OK 33 79 - 42 - 8549/1.8=10, 8546/3.0=9...(11) HB THR 80 - HG3 MET 21 OK 20 97 - 20 - 10916/968=4, 8549/3.0=4...(6) HB THR 80 - HB3 MET 21 OK 18 93 - 19 - 8549/1.8=5, 10916/968=5...(5) HA LEU 14 - HG3 MET 21 lone 5 92 - 5 - ~8538=1 HA LEU 14 - HB3 MET 21 lone 3 87 - 4 - 8550/4.0=1 Peak 8549 from cnoeabs.peaks (3.67, 2.05, 32.03 ppm; 4.65 A): 3 out of 4 assignments used, quality = 0.90: HA LYS 90 + HB2 MET 21 OK 77 100 - 78 - 8546/3.0=20, 9948=20...(16) HA GLU 88 + HB2 MET 21 OK 42 96 - 44 - 8546/3.0=11, 8543/4.3=9...(11) HB THR 80 + HB2 MET 21 OK 21 87 - 24 - 10916/959=10, 8550/4.0=4...(6) HA LEU 14 - HB2 MET 21 lone 3 77 - 4 - 8550/4.0=1 Peak 8551 from cnoeabs.peaks (1.32, 2.10, 17.93 ppm; 3.14 A): 4 out of 5 assignments used, quality = 0.56: HG2 LYS 94 + QE MET 21 OK 29 73 - 40 - 3.0/10443=7, 3.7/8541=7...(12) QB ALA 89 + QE MET 21 OK 16 73 - 22 - 3.6/8537=10, 8557/3.4=3...(5) QB ALA 25 + QE MET 21 OK 16 73 - 22 - 2.1/994=4, 8557/3.4=3...(8) QB ALA 67 + QE MET 21 OK 12 81 - 14 - 2.1/8541=4, 4.9/8542=4...(4) HB3 LEU 2 - QE MET 21 lone 6 92 - 7 - 1.8/10444=2, 8557/3.4=1 Peak 8552 from cnoeabs.peaks (0.76, 2.10, 17.93 ppm; 3.33 A): 5 out of 12 assignments used, quality = 0.93: QG2 ILE 93 + QE MET 21 OK 66 98 - 68 - 10319=16, 3.2/995=9...(21) HG13 ILE 93 + QE MET 21 OK 49 84 - 59 - 1.8/995=13, 3.2/10319=10...(24) QD1 ILE 93 + QE MET 21 OK 48 84 - 58 - 2.1/995=12, 3.1/10319=11...(24) QD1 ILE 15 + QE MET 21 OK 12 100 - 12 - 2.1/10444=2 HG13 ILE 15 + QE MET 21 OK 11 100 - 11 - 1.8/10444=2, 8558/3.4=1 QG1 VAL 54 - QE MET 21 lone 10 99 - 10 - 2.1/10445=3 QD1 LEU 27 - QE MET 21 poor 9 87 - 10 - 2.1/10443=2 QD2 LEU 42 - QE MET 21 lone 6 92 - 7 - QD1 LEU 64 - QE MET 21 lone 6 77 - 8 - QG1 VAL 78 - QE MET 21 lone 3 90 - 3 - HG3 ARG 81 - QE MET 21 lone 2 70 - 2 - QD1 LEU 6 - QE MET 21 lone 1 81 - 2 - Peak 8553 from cnoeabs.peaks (1.81, 2.40, 32.03 ppm; 4.08 A): 4 out of 16 assignments used, quality = 0.99: HB ILE 93 + HB3 MET 21 OK 75 94 - 80 - 2.1/10013=15...(27) HB ILE 93 + HG3 MET 21 OK 74 90 - 83 - 2.1/10013=14...(29) HB2 LYS 90 + HG3 MET 21 OK 68 98 - 69 - 3.0/9949=13, 8556/1.8=13...(19) HB2 LYS 90 + HB3 MET 21 OK 59 100 - 59 - 3.0/9949=12, 8556/3.0=10...(14) HB2 GLU 88 - HG3 MET 21 OK 28 97 - 29 - ~8546=6, 8556/1.8=5...(9) HB2 GLU 88 - HB3 MET 21 OK 26 100 - 26 - ~8549=5, ~8546=4...(8) HB2 GLU 104 - HG3 MET 21 OK 12 97 - 12 - 8556/1.8=2, ~983=1, 3.0/975=1 HB2 GLU 104 - HB3 MET 21 OK 11 100 - 11 - 8556/3.0=2, ~966=2...(4) HB2 LEU 42 - HG3 MET 21 lone 7 96 - 7 - 8556/1.8=2 HB2 LEU 42 - HB3 MET 21 lone 6 99 - 7 - 8556/3.0=1 HB2 LYS 39 - HB3 MET 21 lone 4 81 - 5 - HB3 LEU 57 - HG3 MET 21 lone 4 82 - 5 - HB2 LYS 39 - HG3 MET 21 lone 4 76 - 6 - HG2 ARG 46 - HB3 MET 21 lone 4 84 - 5 - HB3 LEU 57 - HB3 MET 21 lone 3 87 - 4 - HG2 ARG 46 - HG3 MET 21 lone 1 79 - 2 - Peak 8554 from cnoeabs.peaks (1.33, 2.40, 32.03 ppm; 4.53 A): 8 out of 16 assignments used, quality = 0.89: HG2 LYS 94 + HG3 MET 21 OK 36 85 - 43 - 8551/3.4=15, 8557/1.8=11...(7) QB ALA 25 + HB3 MET 21 OK 30 90 - 34 - 8557/3.0=7, 8551/4.3=6...(11) QB ALA 25 + HG3 MET 21 OK 30 85 - 35 - 8557/1.8=8, 8551/3.4=8...(11) HG2 LYS 94 + HB3 MET 21 OK 24 90 - 27 - 8551/4.3=12, 8557/3.0=9...(4) QB ALA 89 + HG3 MET 21 OK 21 85 - 25 - 8551/3.4=8, 8557/1.8=7...(6) QB ALA 89 + HB3 MET 21 OK 18 90 - 20 - 8551/4.3=7, 8557/3.0=6...(5) QB ALA 67 + HG3 MET 21 OK 18 90 - 20 - 8557/1.8=7, 8551/3.4=6...(4) QB ALA 67 + HB3 MET 21 OK 14 94 - 15 - 8557/3.0=5, 8551/4.3=5 HB3 LEU 2 - HG3 MET 21 poor 10 96 - 10 - 8557/1.8=3, 8551/3.4=3, ~10444=2 HB3 LEU 2 - HB3 MET 21 lone 7 99 - 7 - 8557/3.0=3, 8551/4.3=3 HB3 LEU 27 - HB3 MET 21 lone 7 73 - 10 - ~8565=2, ~8559=1 HB3 LEU 27 - HG3 MET 21 lone 6 69 - 9 - ~10443=1, ~12041=1 HG2 LYS 39 - HB3 MET 21 lone 4 70 - 6 - HG2 LYS 39 - HG3 MET 21 lone 4 65 - 6 - HB2 LYS 82 - HB3 MET 21 lone 2 77 - 2 - HB2 LYS 82 - HG3 MET 21 lone 2 72 - 2 - Peak 8555 from cnoeabs.peaks (0.75, 2.40, 32.03 ppm; 3.51 A): 4 out of 24 assignments used, quality = 0.99: QG2 ILE 93 + HB3 MET 21 OK 79 100 - 79 - 10013=14, 11002/4.6=13...(29) QG2 ILE 93 + HG3 MET 21 OK 76 98 - 78 - 10013=13, 8558/1.8=13...(30) HG13 ILE 93 + HG3 MET 21 OK 68 92 - 75 - 8558/1.8=12, 3.2/10013=9...(29) HG13 ILE 93 + HB3 MET 21 OK 67 96 - 70 - 8558/3.0=9, 3.2/10013=9...(27) QD1 ILE 93 - HB3 MET 21 OK 43 65 - 66 - 3.1/10013=9, 8559/1.8=7...(27) QD1 ILE 93 - HG3 MET 21 OK 41 61 - 67 - 3.1/10013=9, ~8558=7...(27) QD1 ILE 15 - HB3 MET 21 OK 11 96 - 11 - 8559/1.8=2, 8558/3.0=1...(4) HG13 ILE 15 - HG3 MET 21 OK 11 97 - 11 - 8558/1.8=2, 8552/3.4=1...(4) HG13 ILE 15 - HB3 MET 21 OK 11 100 - 11 - 8559/1.8=1, 8558/3.0=1 QD1 ILE 15 - HG3 MET 21 OK 11 92 - 12 - 8558/1.8=2, 8552/3.4=1...(4) QD1 LEU 64 - HG3 MET 21 lone 7 87 - 8 - 8558/1.8=1 QD1 LEU 64 - HB3 MET 21 lone 7 92 - 7 - 8558/3.0=1 QG1 VAL 54 - HG3 MET 21 lone 7 87 - 8 - ~10445=2, 8562/5.1=1...(4) QD1 LEU 27 - HB3 MET 21 lone 7 70 - 10 - 8567/4.6=2, 8559/1.8=1...(4) QG1 VAL 54 - HB3 MET 21 lone 6 92 - 7 - 8562/4.0=2, 8559/1.8=1 QD1 LEU 27 - HG3 MET 21 lone 5 65 - 7 - 8552/3.4=1 QD2 LEU 42 - HB3 MET 21 lone 4 77 - 6 - 8562/4.0=1 QD2 LEU 42 - HG3 MET 21 lone 4 72 - 5 - QG1 VAL 78 - HB3 MET 21 lone 4 98 - 4 - QG1 VAL 78 - HG3 MET 21 lone 3 94 - 3 - HG3 ARG 81 - HG3 MET 21 lone 2 82 - 2 - HG3 ARG 81 - HB3 MET 21 lone 2 87 - 2 - QD1 LEU 6 - HB3 MET 21 lone 1 61 - 1 - QD1 LEU 6 - HG3 MET 21 lone 1 57 - 1 - Peak 8556 from cnoeabs.peaks (1.81, 2.94, 31.91 ppm; 4.03 A): 2 out of 8 assignments used, quality = 0.96: HB ILE 93 + HG2 MET 21 OK 82 99 - 82 - 2.1/8558=16, 3.0/8558=12...(25) HB2 LYS 90 + HG2 MET 21 OK 76 99 - 77 - 3.0/8546=16, 3933=15...(24) HB2 GLU 88 - HG2 MET 21 OK 32 100 - 32 - 3.0/8546=9, ~8543=4...(9) HB2 GLU 104 - HG2 MET 21 OK 14 100 - 14 - 3.0/983=2, 8553/1.8=1 HB2 LEU 42 - HG2 MET 21 lone 10 100 - 10 - HB2 LYS 39 - HG2 MET 21 lone 6 94 - 6 - HB3 LEU 57 - HG2 MET 21 lone 4 70 - 5 - HG2 ARG 46 - HG2 MET 21 lone 2 65 - 3 - Peak 8557 from cnoeabs.peaks (1.32, 2.94, 31.91 ppm; 4.66 A): 5 out of 5 assignments used, quality = 0.73: HG2 LYS 94 + HG2 MET 21 OK 34 73 - 47 - 8551/3.4=15, 4.9/8534=10...(9) QB ALA 25 + HG2 MET 21 OK 27 73 - 36 - 8551/3.4=8, 2.1/978=6...(10) QB ALA 89 + HG2 MET 21 OK 23 73 - 31 - 3.6/7424=9, 8551/3.4=9...(9) QB ALA 67 + HG2 MET 21 OK 20 81 - 25 - 4.9/8545=10, 8551/3.4=6...(5) HB3 LEU 2 + HG2 MET 21 OK 10 92 - 11 - 8551/3.4=3, ~10444=2...(4) Peak 8558 from cnoeabs.peaks (0.75, 2.94, 31.91 ppm; 3.66 A): 2 out of 9 assignments used, quality = 0.94: QG2 ILE 93 + HG2 MET 21 OK 78 99 - 79 - 10013/1.8=14...(27) HG13 ILE 93 + HG2 MET 21 OK 72 100 - 73 - 1.8/979=11, 2.1/10024=11...(26) HG13 ILE 15 - HG2 MET 21 OK 11 96 - 12 - 8552/3.4=1, 1.8/3988=1...(4) QD1 ILE 15 - HG2 MET 21 OK 10 84 - 12 - 8552/3.4=1, 8559/3.0=1 QD1 LEU 64 - HG2 MET 21 lone 8 99 - 8 - 3.1/983=1 QG1 VAL 54 - HG2 MET 21 lone 6 77 - 8 - ~10445=2, 8562/5.1=1 QG1 VAL 78 - HG2 MET 21 lone 4 100 - 4 - QD2 LEU 27 - HG2 MET 21 lone 4 70 - 5 - HG3 ARG 81 - HG2 MET 21 lone 3 97 - 3 - Peak 8559 from cnoeabs.peaks (0.76, 2.05, 32.03 ppm; 3.70 A): 3 out of 12 assignments used, quality = 0.96: QG2 ILE 93 + HB2 MET 21 OK 78 98 - 80 - 10013/1.8=14...(29) QD1 ILE 93 + HB2 MET 21 OK 60 84 - 71 - 11004/4.6=9, 10026/959=7...(27) HG13 ILE 93 + HB2 MET 21 OK 60 84 - 71 - 8558/3.0=9, ~10013=7...(28) QD1 ILE 15 - HB2 MET 21 OK 13 100 - 12 - 8562/4.0=1, 8558/3.0=1...(4) HG13 ILE 15 - HB2 MET 21 OK 12 100 - 12 - 8558/3.0=1, 8552/4.3=1 QD1 LEU 27 - HB2 MET 21 OK 10 87 - 12 - 8567/4.6=3, ~8565=1, 8562/4.0=1 QG1 VAL 54 - HB2 MET 21 lone 8 99 - 8 - 8562/4.0=2 QD2 LEU 42 - HB2 MET 21 lone 7 92 - 7 - 8562/4.0=1 QD1 LEU 64 - HB2 MET 21 lone 6 77 - 8 - 3.1/966=1, 8558/3.0=1 QG1 VAL 78 - HB2 MET 21 lone 4 90 - 4 - QD1 LEU 6 - HB2 MET 21 lone 2 81 - 2 - HG3 ARG 81 - HB2 MET 21 lone 2 70 - 2 - Peak 8564 from cnoeabs.peaks (1.68, 4.41, 57.01 ppm; 4.60 A): 4 out of 34 assignments used, quality = 0.93: HG3 LYS 20 + HA MET 21 OK 59 99 - 60 - 903/3.0=11, ~869=10...(15) HD2 LYS 20 + HA MET 21 OK 51 100 - 52 - 6329/3.0=8, ~903=7...(16) HD3 LYS 20 + HA MET 21 OK 51 99 - 52 - 6329/3.0=8, ~903=7...(16) HB ILE 52 + HA MET 21 OK 30 94 - 33 - ~9167=6, 3.8/9139=5...(13) HD2 LYS 73 - HA MET 21 OK 24 87 - 27 - 3.0/8565=3, 3.0/952=3...(14) HD3 LYS 73 - HA MET 21 OK 22 81 - 27 - 3.0/8565=3, 3.0/952=3...(14) HD2 LYS 24 - HA MET 21 OK 18 73 - 25 - 6.3/956=6, 3.6/958=4...(7) HD3 LYS 24 - HA MET 21 OK 17 70 - 24 - 6.3/956=6, 3.6/958=4...(7) HD3 LYS 90 - HA MET 21 OK 14 70 - 21 - 3.0/952=3, ~12236=3...(10) HG2 PRO 86 - HA MET 21 OK 14 84 - 17 - 2.3/954=4, ~6337=2...(8) HD3 LYS 47 - HA MET 21 OK 11 100 - 10 - 6329/3.0=1 HD2 LYS 47 - HA MET 21 OK 10 100 - 10 - 6329/3.0=1 HG12 ILE 15 - HA MET 21 poor 10 81 - 12 - 1.8/8566=2, 2.1/8566=2...(4) HB3 ARG 91 - HA MET 21 lone 8 100 - 9 - 6327/3.0=1, ~6326=1, 12042/3.9=1 HB3 LYS 53 - HA MET 21 lone 7 98 - 7 - 6328/3.0=2, ~892=2, ~6326=1 HB3 LYS 40 - HA MET 21 lone 6 99 - 6 - HD2 LYS 24 - HA HIS 106 lone 5 64 - 7 - 6.3/956=1, 3.6/957=1...(4) HB3 ARG 91 - HA HIS 106 lone 4 93 - 5 - HD3 LYS 24 - HA HIS 106 lone 4 60 - 7 - 6.3/956=1, 3.6/958=1...(4) HD2 LYS 73 - HA HIS 106 lone 3 77 - 4 - HD3 LYS 73 - HA HIS 106 lone 3 71 - 4 - HB ILE 52 - HA HIS 106 lone 2 84 - 3 - HG3 LYS 20 - HA HIS 106 lone 2 91 - 2 - HD2 LYS 47 - HA HIS 106 lone 2 94 - 2 - HD2 LYS 20 - HA HIS 106 lone 2 93 - 2 - HD3 LYS 47 - HA HIS 106 lone 2 93 - 2 - HD3 LYS 20 - HA HIS 106 lone 2 91 - 2 - HB3 LYS 40 - HA HIS 106 lone 2 92 - 2 - HG12 ILE 15 - HA HIS 106 lone 1 71 - 2 - HG LEU 70 - HA MET 21 lone 1 61 - 2 - HG2 PRO 86 - HA HIS 106 lone 1 74 - 2 - HB3 LYS 53 - HA HIS 106 lone 1 90 - 1 - HD3 LYS 90 - HA HIS 106 lone 1 60 - 2 - HG LEU 70 - HA HIS 106 lone 1 53 - 1 - Peak 8565 from cnoeabs.peaks (1.60, 4.41, 57.01 ppm; 4.74 A): 9 out of 26 assignments used, quality = 0.87: HB3 LEU 29 + HA MET 21 OK 27 100 - 28 - 8581/4.4=10, 8571/3.6=7...(5) HG2 LYS 24 + HA MET 21 OK 27 87 - 32 - 5.1/956=9, 2.9/958=5...(7) HD3 LYS 94 + HA MET 21 OK 25 100 - 25 - 10443/5.3=7, 6.3/8532=5...(8) HG3 LYS 73 + HA MET 21 OK 24 100 - 24 - 2.9/957=3, 2.9/957=3...(10) HG LEU 27 + HA MET 21 OK 24 100 - 24 - 8581/4.4=7, 8571/3.6=6...(8) HG3 LYS 90 + HA MET 21 OK 14 81 - 18 - 3966/3.9=4, ~8553=3...(6) HG2 ARG 19 + HA MET 21 OK 13 84 - 16 - ~6324=6, ~6325=6...(4) HB2 ARG 30 + HA MET 21 OK 11 99 - 11 - ~8561=3, 8581/4.4=2...(4) HG3 LYS 12 + HA MET 21 OK 11 99 - 11 - 8581/4.4=2, 8571/3.6=1 HD2 LYS 66 - HA MET 21 lone 9 100 - 9 - 12288/5.3=2, 8581/4.4=2 HG2 LYS 24 - HA HIS 106 lone 7 77 - 9 - 5.1/956=2, 2.9/957=1...(4) HG2 ARG 19 - HA HIS 106 lone 6 74 - 8 - HG3 LYS 73 - HA HIS 106 lone 5 94 - 5 - HB2 ARG 79 - HA MET 21 lone 4 100 - 4 - HB2 LEU 103 - HA MET 21 lone 3 84 - 3 - HD3 LYS 94 - HA HIS 106 lone 2 94 - 2 - HG LEU 103 - HA MET 21 lone 2 73 - 3 - HG LEU 27 - HA HIS 106 lone 2 94 - 2 - HG3 LYS 12 - HA HIS 106 lone 2 92 - 2 - HB3 LEU 29 - HA HIS 106 lone 2 93 - 2 - HB2 ARG 79 - HA HIS 106 lone 2 93 - 2 - HG3 LYS 90 - HA HIS 106 lone 2 71 - 2 - HD2 LYS 66 - HA HIS 106 lone 2 93 - 2 - HB2 ARG 30 - HA HIS 106 lone 1 91 - 1 - HB2 LEU 103 - HA HIS 106 lone 1 74 - 1 - HG LEU 103 - HA HIS 106 lone 1 64 - 1 - Peak 8566 from cnoeabs.peaks (0.75, 4.41, 57.01 ppm; 4.83 A): 2 out of 18 assignments used, quality = 0.98: QG2 ILE 93 + HA MET 21 OK 90 99 - 90 - 11002/3.6=31...(26) HG13 ILE 93 + HA MET 21 OK 79 100 - 79 - 8558/3.9=13, 4158/3.0=9...(24) HG13 ILE 15 - HA MET 21 OK 18 96 - 18 - 8558/3.9=2, ~8562=2...(7) QD1 ILE 15 - HA MET 21 OK 16 84 - 19 - 8562/3.0=3, 8558/3.9=2...(7) QG1 VAL 54 - HA MET 21 OK 15 77 - 19 - ~10442=5, 8562/3.0=3...(6) QD1 LEU 64 - HA MET 21 OK 13 99 - 13 - 8558/3.9=2, 3.1/954=1 QG1 VAL 78 - HA MET 21 lone 9 100 - 9 - 10290/4.4=3 QD2 LEU 27 - HA MET 21 poor 9 70 - 12 - 2.1/8565=4, ~6326=2...(4) QG2 ILE 93 - HA HIS 106 lone 7 92 - 7 - 11002/955=1 HG3 ARG 81 - HA MET 21 lone 5 97 - 5 - 8579/4.4=1 HG13 ILE 93 - HA HIS 106 lone 3 93 - 3 - HG13 ILE 15 - HA HIS 106 lone 2 86 - 2 - QD1 ILE 15 - HA HIS 106 lone 2 74 - 3 - QD1 LEU 64 - HA HIS 106 lone 2 91 - 2 - QG1 VAL 78 - HA HIS 106 lone 2 94 - 2 - HG3 ARG 81 - HA HIS 106 lone 2 88 - 2 - QG1 VAL 54 - HA HIS 106 lone 1 67 - 2 - QD2 LEU 27 - HA HIS 106 lone 1 60 - 2 - Peak 8572 from cnoeabs.peaks (1.61, 3.83, 55.43 ppm; 4.05 A): 4 out of 10 assignments used, quality = 0.89: HB3 LEU 29 + HA ALA 22 OK 62 81 - 77 - ~8577=20, ~10453=14...(17) HG LEU 27 + HA ALA 22 OK 58 87 - 67 - 2.1/8641=16, 3.0/1006=12...(13) HD3 LYS 94 + HA ALA 22 OK 18 87 - 21 - 3.0/1006=4, 8581/2.1=3...(8) HD2 LYS 94 + HA ALA 22 OK 17 81 - 21 - 3.0/1006=4, 8622/1154=3...(10) HG3 LYS 12 - HA ALA 22 poor 10 73 - 13 - 8581/2.1=3, 1.8/1003=1...(4) HB2 ARG 30 - HA ALA 22 lone 8 97 - 9 - 8581/2.1=3, 8571/3.0=1, ~8570=1 HD2 LYS 66 - HA ALA 22 lone 6 94 - 7 - 8581/2.1=2, 8571/3.0=1 HG3 LYS 73 - HA ALA 22 lone 6 87 - 7 - 8581/2.1=1, 8571/3.0=1 HB2 ARG 79 - HA ALA 22 lone 6 92 - 6 - 8581/2.1=1, 6442/8638=1 HG3 LYS 47 - HA ALA 22 lone 5 87 - 6 - 3.9/10447=2, 8622/1154=1 Peak 8574 from cnoeabs.peaks (2.08, 3.83, 55.43 ppm; 4.73 A): 5 out of 12 assignments used, quality = 0.91: HB2 GLU 23 + HA ALA 22 OK 73 97 - 76 - 1020/3.6=23...(11) QE MET 21 + HA ALA 22 OK 37 61 - 60 - ~984=12, 6351/3.0=10...(14) HB3 GLU 88 + HA ALA 22 OK 24 100 - 24 - 3.9/8590=9, 10299/1005=5...(6) HB2 GLU 16 + HA ALA 22 OK 17 99 - 17 - 6365/3.6=5, ~8584=4...(5) HB3 GLU 62 + HA ALA 22 OK 12 94 - 13 - 6365/3.6=3, 3.0/10447=3...(4) HB2 MET 74 - HA ALA 22 poor 10 70 - 14 - 3.0/10448=3, 1.8/10861=3...(5) HG3 GLU 104 - HA ALA 22 poor 9 65 - 14 - 6365/3.6=3, 4.1/10447=3...(5) HG2 GLU 28 - HA ALA 22 poor 8 73 - 11 - ~10456=5, ~8583=3, ~6347=1 HG3 GLU 28 - HA ALA 22 poor 8 73 - 11 - ~10456=5, ~8583=3, ~6347=1 HB3 GLU 35 - HA ALA 22 lone 5 100 - 5 - 1020/3.6=1 HB3 LEU 38 - HA ALA 22 lone 3 97 - 4 - HB3 GLU 43 - HA ALA 22 lone 1 77 - 2 - Peak 8575 from cnoeabs.peaks (0.76, 3.83, 55.43 ppm; 3.04 A): 5 out of 12 assignments used, quality = 0.89: QG2 ILE 93 + HA ALA 22 OK 47 96 - 50 - 10028=13, 11002/3.0=12...(14) QD1 LEU 27 + HA ALA 22 OK 44 92 - 48 - 8641=11, 3.1/1006=7...(13) QD1 ILE 93 + HA ALA 22 OK 38 90 - 43 - 3.1/10028=9, 10327/2.1=9...(10) HG13 ILE 93 + HA ALA 22 OK 33 77 - 43 - 3.2/10028=9, ~11004=7...(11) HG3 ARG 81 + HA ALA 22 OK 10 61 - 16 - ~8578=8, 2.9/8576=7, 8579/2.1=2 QG1 VAL 54 - HA ALA 22 lone 9 100 - 9 - 8579/2.1=2, 8567/3.0=1...(4) QG1 VAL 78 - HA ALA 22 lone 7 84 - 8 - 2.1/10905=2, 10290/2.1=2...(4) QD1 ILE 15 - HA ALA 22 lone 7 100 - 7 - 8579/2.1=1 HG13 ILE 15 - HA ALA 22 lone 6 99 - 6 - 8579/2.1=1 QD2 LEU 42 - HA ALA 22 lone 4 96 - 4 - QD1 LEU 64 - HA ALA 22 lone 3 70 - 5 - 4.5/1005=1, 8621/1154=1 QD1 LEU 6 - HA ALA 22 lone 3 87 - 3 - ~8577=1 Peak 8576 from cnoeabs.peaks (0.93, 3.83, 55.43 ppm; 4.97 A): 2 out of 2 assignments used, quality = 0.61: HB2 ARG 81 + HA ALA 22 OK 48 100 - 48 - 8578/2.1=38...(6) QG2 VAL 5 + HA ALA 22 OK 24 73 - 33 - 2.1/8182=6, ~8582=5...(10) Peak 8577 from cnoeabs.peaks (1.18, 1.44, 18.06 ppm; 3.78 A): 2 out of 5 assignments used, quality = 0.58: HB2 LEU 29 + QB ALA 22 OK 54 70 - 77 - 2.9/10453=18...(18) HB2 LEU 6 + QB ALA 22 OK 10 100 - 10 - 4.3/8586=5, 200/8586=1 HG2 LYS 40 - QB ALA 22 lone 3 61 - 5 - QG2 THR 34 - QB ALA 22 lone 2 100 - 2 - HB2 LEU 57 - QB ALA 22 lone 2 61 - 3 - Peak 8578 from cnoeabs.peaks (0.93, 1.44, 18.06 ppm; 4.48 A): 0 out of 2 assignments used, low quality = 0.28: HB2 ARG 81 - QB ALA 22 OK 28 97 - 29 - 8576/2.1=20, 2.9/8579=2...(5) QG1 VAL 32 - QB ALA 22 lone 3 61 - 4 - ~10448=1 Peak 8579 from cnoeabs.peaks (0.76, 1.44, 18.06 ppm; 3.15 A): 7 out of 12 assignments used, quality = 0.93: QG2 ILE 93 + QB ALA 22 OK 52 96 - 54 - 11002/2.9=13...(14) QD1 ILE 93 + QB ALA 22 OK 42 90 - 47 - 10327=12, 11004/2.9=10...(10) QD1 LEU 27 + QB ALA 22 OK 40 92 - 44 - 8641/2.1=9, 2.1/8581=6...(12) HG13 ILE 93 + QB ALA 22 OK 36 77 - 47 - 2.1/10327=12, ~11004=7...(12) QG1 VAL 54 + QB ALA 22 OK 13 100 - 13 - 2.1/8580=2, 2.1/8582=2...(5) HG3 ARG 81 + QB ALA 22 OK 13 61 - 20 - 2.9/8578=14, ~8576=5, 8575/2.1=2 QD1 ILE 15 + QB ALA 22 OK 10 100 - 10 - 8469/8580=1, 8575/2.1=1 QG1 VAL 78 - QB ALA 22 poor 9 84 - 11 - 10904/2.1=2, 10290=2...(5) HG13 ILE 15 - QB ALA 22 lone 8 99 - 8 - QD1 LEU 6 - QB ALA 22 lone 6 87 - 6 - 3.1/8577=3 QD2 LEU 42 - QB ALA 22 lone 5 96 - 5 - QD1 LEU 64 - QB ALA 22 lone 2 70 - 3 - Peak 8580 from cnoeabs.peaks (0.64, 1.44, 18.06 ppm; 3.25 A): 3 out of 3 assignments used, quality = 0.89: QD2 LEU 29 + QB ALA 22 OK 70 100 - 70 - 3.1/8577=15, 1299=12...(19) QD1 LEU 29 + QB ALA 22 OK 57 84 - 69 - 3.1/8577=15...(18) QG2 VAL 54 + QB ALA 22 OK 10 81 - 12 - 8568/2.9=2, 2.1/8579=2 Peak 8581 from cnoeabs.peaks (1.60, 1.44, 18.06 ppm; 3.60 A): 6 out of 11 assignments used, quality = 0.93: HB3 LEU 29 + QB ALA 22 OK 75 94 - 80 - 1.8/8577=26...(19) HG LEU 27 + QB ALA 22 OK 53 97 - 54 - 4.3/10455=9, 8572/2.1=8...(14) HD3 LYS 94 + QB ALA 22 OK 15 97 - 16 - 8572/2.1=3, 10458/3.6=2...(8) HG3 LYS 12 + QB ALA 22 OK 14 90 - 15 - 3.0/8582=2, 3.0/8582=2 HB2 ARG 30 + QB ALA 22 OK 14 100 - 14 - 4.0/6479=5, 8572/2.1=1 HD2 LYS 66 + QB ALA 22 OK 11 99 - 11 - 3.6/10456=3, 6.1/8587=2 HD2 LYS 94 - QB ALA 22 poor 8 61 - 13 - 8572/2.1=2, ~8572=2...(6) HG2 LYS 24 - QB ALA 22 poor 7 61 - 11 - 5.1/8589=6, 10458/3.6=2 HG3 LYS 73 - QB ALA 22 lone 7 97 - 7 - 8565/4.4=1 HB2 ARG 79 - QB ALA 22 lone 6 99 - 6 - 12329/10455=3 HG3 LYS 47 - QB ALA 22 lone 3 70 - 4 - 3.9/10451=1 Peak 8582 from cnoeabs.peaks (1.88, 1.44, 18.06 ppm; 4.41 A): 10 out of 10 assignments used, quality = 0.89: HB2 ARG 19 + QB ALA 22 OK 34 70 - 49 - 3.0/10456=12...(15) HB VAL 5 + QB ALA 22 OK 30 81 - 37 - 8173/10453=7, ~8576=7...(13) HB3 LYS 68 + QB ALA 22 OK 23 99 - 23 - 3.0/1007=5, ~786=5...(5) HB2 LYS 20 + QB ALA 22 OK 20 81 - 25 - 4.6/8588=11, ~6344=7, ~11086=5 HB VAL 54 + QB ALA 22 OK 18 92 - 20 - 2.1/8580=3, ~8568=3...(8) HB3 LYS 12 + QB ALA 22 OK 17 94 - 18 - 3.0/8581=3, 4.2/6176=1...(5) HB2 LYS 12 + QB ALA 22 OK 16 90 - 17 - 3.0/8581=3, 4.2/6176=1...(5) HB3 GLU 104 + QB ALA 22 OK 14 99 - 15 - 4529/4.5=3, 3.0/10451=2...(6) HB3 LYS 39 + QB ALA 22 OK 14 84 - 16 - 1.8/1685=2, ~1006=1...(6) HB3 LYS 66 + QB ALA 22 OK 13 81 - 17 - 1.8/10456=6, 4.0/8587=5 Peak 8583 from cnoeabs.peaks (2.05, 1.44, 18.06 ppm; 4.71 A): 3 out of 11 assignments used, quality = 0.94: HB2 MET 21 + QB ALA 22 OK 75 100 - 75 - 967/2.9=32, 4.0/8588=14...(14) HG12 ILE 93 + QB ALA 22 OK 66 87 - 77 - 2.1/10327=22, ~11004=19...(14) HG3 GLU 28 + QB ALA 22 OK 29 81 - 36 - 5.0/8586=14...(6) HG2 GLU 28 - QB ALA 22 OK 29 81 - 36 - 5.0/8586=14...(6) HB2 MET 74 - QB ALA 22 OK 17 84 - 20 - 3335/4.4=3, ~10861=3...(9) HB2 GLU 99 - QB ALA 22 OK 14 98 - 14 - 3.0/10451=3, ~10447=3...(5) HB3 GLU 99 - QB ALA 22 OK 12 87 - 14 - 3.0/10451=3, ~10447=3...(5) HB2 GLU 98 - QB ALA 22 lone 7 99 - 7 - ~11022=2, 6347/2.9=2, ~6347=1 HB3 GLU 98 - QB ALA 22 lone 7 98 - 7 - ~11022=2, 6347/2.9=2, ~6347=1 HB3 GLU 48 - QB ALA 22 lone 6 100 - 6 - 950/4.4=1, 6347/2.9=1 HB3 GLU 43 - QB ALA 22 lone 3 77 - 3 - Peak 8584 from cnoeabs.peaks (2.16, 1.44, 18.06 ppm; 4.97 A): 6 out of 8 assignments used, quality = 0.86: HB3 GLU 23 + QB ALA 22 OK 70 92 - 76 - 4.0/1011=25...(10) HB3 GLU 16 + QB ALA 22 OK 22 100 - 22 - 703/4.5=8, 6366/3.6=5...(6) HB2 GLN 72 + QB ALA 22 OK 13 100 - 13 - 3192/4.5=4, 6366/3.6=3...(4) HB3 GLN 50 + QB ALA 22 OK 12 90 - 14 - 2290/4.4=5, ~6348=2...(4) HG2 GLU 104 + QB ALA 22 OK 12 73 - 16 - 6366/3.6=4, 3.0/8582=3...(6) HB3 GLU 95 + QB ALA 22 OK 12 99 - 12 - 6366/3.6=5, 1015/4.5=4 HG2 GLU 75 - QB ALA 22 lone 3 94 - 4 - 9622/4.4=1 HG3 GLU 75 - QB ALA 22 lone 3 90 - 3 - 9622/4.4=1 Peak 8585 from cnoeabs.peaks (2.50, 1.44, 18.06 ppm; 5.60 A): 4 out of 8 assignments used, quality = 0.88: HG3 GLU 23 + QB ALA 22 OK 78 96 - 81 - 1042/3.6=28...(9) HB2 ASP 87 + QB ALA 22 OK 23 100 - 23 - 4.6/8589=11, 6368/3.6=6 HB3 ASP 87 + QB ALA 22 OK 23 100 - 23 - 4.6/8589=11, 6368/3.6=6 HD2 ARG 91 + QB ALA 22 OK 13 87 - 16 - 6368/3.6=6, 1017/4.5=5 HB2 ASP 36 - QB ALA 22 lone 7 97 - 7 - 3.0/10452=2 HB3 ASP 36 - QB ALA 22 lone 7 96 - 7 - 3.0/10452=2 HG3 GLU 63 - QB ALA 22 lone 5 70 - 8 - ~10752=2, 3.0/10456=2, ~10753=1 HB2 ASP 61 - QB ALA 22 lone 3 90 - 3 - Peak 8586 from cnoeabs.peaks (8.45, 1.44, 18.06 ppm; 4.65 A): 2 out of 3 assignments used, quality = 0.87: H LEU 29 + QB ALA 22 OK 79 100 - 79 - 2.9/10453=29...(11) H ILE 7 + QB ALA 22 OK 39 98 - 39 - 6081=5, 4.3/8577=4...(17) H LYS 53 - QB ALA 22 lone 7 77 - 9 - 1295/8580=1, 9183/8577=1 Peak 8587 from cnoeabs.peaks (7.82, 1.44, 18.06 ppm; 5.45 A): 0 out of 4 assignments used, low quality = 0.35: H SER 9 - QB ALA 22 OK 15 94 - 16 - 4.6/1008=4, 6101/2.9=3...(4) H LYS 66 - QB ALA 22 OK 13 65 - 20 - 4.0/10456=6, 3.6/10452=5...(4) H ASN 26 - QB ALA 22 OK 12 57 - 21 - 8608/2.1=8, 8609/4.5=4...(5) H TYR 41 - QB ALA 22 lone 9 100 - 9 - 6648/8577=1, 4.6/8913=1 Peak 8588 from cnoeabs.peaks (7.68, 1.44, 18.06 ppm; 5.21 A): 3 out of 3 assignments used, quality = 0.88: H MET 21 + QB ALA 22 OK 78 100 - 78 - 6338/2.9=42, 6359/3.6=25...(14) HD22 ASN 51 + QB ALA 22 OK 31 100 - 31 - 948/4.4=10, 6345/2.9=9...(5) H SER 85 + QB ALA 22 OK 22 98 - 23 - 6359/3.6=7, 6345/2.9=6...(5) Peak 8589 from cnoeabs.peaks (7.58, 1.44, 18.06 ppm; 5.42 A): 2 out of 3 assignments used, quality = 0.75: H LYS 24 + QB ALA 22 OK 58 87 - 67 - 4.6/1011=25, 6355/2.9=17...(8) H GLU 88 + QB ALA 22 OK 41 81 - 51 - 6369/3.6=14, 6355/2.9=12...(9) H GLU 44 - QB ALA 22 lone 4 73 - 6 - 4.6/1011=1 Peak 8590 from cnoeabs.peaks (7.57, 3.83, 55.43 ppm; 4.64 A): 3 out of 4 assignments used, quality = 0.91: H LYS 24 + HA ALA 22 OK 73 100 - 73 - 4.6/1005=22, 6369/3.6=20...(12) H GLU 88 + HA ALA 22 OK 49 100 - 50 - 6369/3.6=13, 6375=11...(12) H ILE 76 + HA ALA 22 OK 34 92 - 37 - 9649=11, 4.0/9648=10...(9) H LEU 14 - HA ALA 22 lone 3 65 - 5 - Peak 8594 from cnoeabs.peaks (4.41, 1.59, 25.00 ppm; 4.62 A): 3 out of 27 assignments used, quality = 0.92: HA ALA 25 + HG2 LYS 24 OK 83 100 - 83 - 10472=22, 3.0/1094=16...(21) HA MET 74 + HG2 LYS 24 OK 31 97 - 32 - 4.8/9954=5, 3.0/7220=3...(16) HA MET 21 + HG2 LYS 24 OK 31 100 - 31 - 956/5.1=9, 958/2.9=5...(8) HA MET 21 - HG3 LYS 90 OK 14 77 - 19 - 3.9/3966=3, ~8553=3...(7) HA VAL 32 - HG2 LYS 24 OK 14 100 - 14 - 3.2/8945=3, 10145/1.8=3 HA ILE 76 - HG2 LYS 24 OK 12 65 - 19 - 8595/1.8=3, ~1095=2...(5) HA ALA 25 - HG3 LYS 90 OK 11 76 - 14 - 10472=3, 4.8/1053=3, 3.0/1094=3 HA ALA 25 - HG3 LYS 12 OK 11 72 - 15 - 3.0/1094=3, 4.8/1085=3 HA HIS 106 - HG2 LYS 24 lone 9 100 - 9 - 956/5.1=2, 958/2.9=1...(4) HA GLU 48 - HG2 LYS 24 poor 9 65 - 14 - ~6782=2, 3.6/1094=2...(5) HA MET 74 - HG3 LYS 12 lone 6 68 - 9 - 3.0/7220=3, 4.8/3232=2 HA ILE 76 - HG3 LYS 90 poor 6 43 - 13 - ~10883=5, ~10884=3 HA MET 21 - HG3 LYS 12 lone 5 73 - 7 - 8565=2 HA GLN 50 - HG3 LYS 12 lone 5 57 - 9 - ~415=3, 3.0/426=1 HA SER 9 - HG3 LYS 12 poor 4 38 - 11 - ~8320=2, ~423=2, ~8326=2 HA ILE 76 - HG3 LYS 12 lone 4 41 - 10 - ~7257=2 HA MET 74 - HG3 LYS 90 lone 3 71 - 4 - 4.8/9954=1 HA GLU 48 - HG3 LYS 12 lone 3 41 - 7 - 12314/4.7=3, 10619/3.7=1 HA VAL 32 - HG3 LYS 12 lone 3 73 - 4 - HA SER 9 - HG2 LYS 24 lone 3 61 - 4 - HA GLN 50 - HG2 LYS 24 lone 2 87 - 3 - HA VAL 32 - HG3 LYS 90 lone 2 77 - 3 - HA HIS 106 - HG3 LYS 90 lone 2 76 - 2 - HA HIS 106 - HG3 LYS 12 lone 1 72 - 2 - HA GLN 50 - HG3 LYS 90 lone 1 61 - 2 - HA SER 9 - HG3 LYS 90 lone 1 40 - 3 - HA GLU 48 - HG3 LYS 90 lone 1 43 - 2 - Peak 8595 from cnoeabs.peaks (4.42, 1.51, 25.00 ppm; 4.07 A): 6 out of 18 assignments used, quality = 0.88: HA ALA 25 + HG3 LYS 24 OK 68 96 - 72 - 10472/1.8=17...(19) HA VAL 32 + HG3 LYS 33 OK 26 78 - 34 - 6515/4.9=15, 8764/4.9=12...(5) HA MET 21 + HG3 LYS 24 OK 18 92 - 20 - 956/5.1=6, 957/2.9=3...(5) HA MET 74 + HG3 LYS 24 OK 14 65 - 22 - 8594/1.8=3, ~7220=2...(13) HA ILE 76 + HG3 LYS 24 OK 14 97 - 14 - 3.0/1095=3, ~9644=1...(5) HA VAL 32 + HG3 LYS 24 OK 12 92 - 13 - 10145=3, 3.6/6523=2...(4) HA GLU 48 - HG3 LYS 24 lone 10 97 - 10 - 3.6/1105=2, ~6782=1, ~2144=1 HA ALA 25 - HG3 LYS 33 lone 6 82 - 7 - 3.0/1105=2, 4.8/1096=2...(4) HA ILE 76 - HG3 LYS 33 lone 5 84 - 6 - 8764/4.9=2, ~9654=1, 6515/4.9=1 HA GLU 48 - HG3 LYS 33 lone 5 84 - 5 - ~6783=1, 3.0/6784=1, 8764/4.9=1 HA HIS 106 - HG3 LYS 24 lone 5 81 - 5 - 956/5.1=1 HA SER 9 - HG3 LYS 33 lone 4 82 - 5 - 8764/4.9=2, ~8316=1 HA SER 9 - HG3 LYS 24 lone 3 96 - 3 - HA MET 21 - HG3 LYS 33 lone 3 78 - 4 - 6515/4.9=1 HA MET 74 - HG3 LYS 33 lone 2 53 - 3 - 6515/4.9=1 HA HIS 106 - HG3 LYS 33 lone 1 66 - 1 - HB THR 84 - HG3 LYS 24 lone 1 61 - 1 - HB THR 84 - HG3 LYS 33 lone 1 49 - 1 - Peak 8605 from cnoeabs.peaks (8.24, 4.41, 51.21 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.77: H LEU 27 + HA ALA 25 OK 77 100 - 78 - 6419/3.6=38...(8) Peak 8607 from cnoeabs.peaks (7.59, 1.34, 18.52 ppm; 4.28 A): 2 out of 4 assignments used, quality = 0.67: H LYS 24 + QB ALA 25 OK 51 84 - 61 - 6397/2.9=20, 8606/3.6=18...(9) H GLU 88 + QB ALA 25 OK 31 77 - 41 - 6397/2.9=12, 8606/3.6=9...(9) H GLU 44 - QB ALA 25 lone 6 77 - 7 - 8973=1, 4.6/10476=1 HD22 ASN 10 - QB ALA 25 lone 1 61 - 2 - Peak 8614 from cnoeabs.peaks (0.76, 4.41, 51.21 ppm; 4.89 A): 7 out of 12 assignments used, quality = 0.95: QD1 LEU 27 + HA ALA 25 OK 61 94 - 65 - 4.7/8605=24, 8621/2.1=12...(12) QG2 ILE 93 + HA ALA 25 OK 40 94 - 42 - 8621/2.1=9, 8613/3.0=7...(13) QD1 ILE 93 + HA ALA 25 OK 34 92 - 38 - 11001/3.0=6, 10321/2.1=5...(12) QD1 LEU 64 + HA ALA 25 OK 32 65 - 49 - 8621/2.1=8, ~2826=6...(14) HG13 ILE 93 + HA ALA 25 OK 26 73 - 36 - 8621/2.1=5, ~8621=5...(10) QD1 ILE 15 + HA ALA 25 OK 16 100 - 16 - 8621/2.1=3, 8613/3.0=3...(5) HG13 ILE 15 + HA ALA 25 OK 15 99 - 15 - 8621/2.1=2, 8613/3.0=2...(5) QD2 LEU 42 - HA ALA 25 lone 9 97 - 9 - 8616/3.6=2, 8613/3.0=1...(4) QG1 VAL 54 - HA ALA 25 lone 8 100 - 8 - 8616/3.6=2, 8621/2.1=1 QG1 VAL 78 - HA ALA 25 lone 5 81 - 7 - 8621/2.1=2, 8613/3.0=1 QD1 LEU 6 - HA ALA 25 lone 5 90 - 5 - QG2 ILE 52 - HA ALA 25 lone 5 61 - 8 - ~9150=2, 4.0/9139=1 Peak 8615 from cnoeabs.peaks (1.97, 4.41, 51.21 ppm; 4.81 A): 2 out of 10 assignments used, quality = 0.95: HB3 LYS 24 + HA ALA 25 OK 77 87 - 89 - 2.9/10472=21, ~6398=18...(21) HB2 LYS 24 + HA ALA 25 OK 77 87 - 89 - 2.9/10472=21, ~6398=18...(21) HB3 MET 74 - HA ALA 25 OK 34 87 - 39 - ~9597=5, 1.8/3335=5...(14) HB2 LYS 73 - HA ALA 25 OK 25 70 - 36 - 4.1/1153=5, 8623/2.1=4...(16) HB3 LYS 73 - HA ALA 25 OK 24 65 - 36 - 4.1/1153=5, 8623/2.1=4...(16) HB2 GLU 37 - HA ALA 25 OK 23 100 - 23 - 8823=4, 1.8/8824=3...(8) HB2 LYS 47 - HA ALA 25 OK 23 98 - 23 - ~6396=4, 8619/3.6=3...(10) HB2 ARG 46 - HA ALA 25 OK 15 100 - 14 - 3.6/9013=2, 8619/3.6=1...(6) HB3 ARG 46 - HA ALA 25 OK 11 77 - 14 - 3.6/9013=2, 3.0/9014=1...(7) QE MET 1 - HA ALA 25 lone 9 100 - 9 - ~8625=2, 8619/3.6=2, 8623/2.1=1 Peak 8621 from cnoeabs.peaks (0.75, 1.34, 18.52 ppm; 2.86 A): 5 out of 12 assignments used, quality = 0.67: QD1 LEU 27 + QB ALA 25 OK 30 81 - 38 - 2.1/8622=7, 4.0/10475=6...(13) QG2 ILE 93 + QB ALA 25 OK 22 99 - 23 - 10320=3, 4.3/10476=2...(8) QD1 LEU 64 + QB ALA 25 OK 20 84 - 24 - 10254=3, 3.1/8624=3...(13) HG13 ILE 93 + QB ALA 25 OK 14 90 - 16 - 2.1/10321=3, 3.2/10320=2...(6) QD1 ILE 93 + QB ALA 25 OK 12 77 - 16 - 10321=2, 3.1/10320=2...(4) QD1 ILE 15 - QB ALA 25 lone 7 99 - 7 - HG13 ILE 15 - QB ALA 25 lone 6 100 - 6 - QG1 VAL 78 - QB ALA 25 lone 4 94 - 4 - QG1 VAL 54 - QB ALA 25 lone 3 97 - 3 - QD2 LEU 42 - QB ALA 25 lone 3 87 - 3 - HG3 ARG 81 - QB ALA 25 lone 2 77 - 3 - QD1 LEU 6 - QB ALA 25 lone 1 73 - 2 - Peak 8622 from cnoeabs.peaks (1.62, 1.34, 18.52 ppm; 3.35 A): 4 out of 8 assignments used, quality = 0.57: HD2 LYS 94 + QB ALA 25 OK 26 97 - 27 - 4.7/10334=5, 4234=5...(8) HG LEU 27 + QB ALA 25 OK 25 61 - 41 - 2.1/8621=9, 4.3/10475=9...(12) HD3 LYS 94 + QB ALA 25 OK 14 61 - 23 - 4.7/10334=5, 1.8/4234=4...(7) HG3 LYS 47 + QB ALA 25 OK 10 99 - 10 - 3.0/8623=1 HG3 LYS 73 - QB ALA 25 poor 8 61 - 13 - 4.9/1158=2, 2.9/8623=2...(4) HD2 LYS 66 - QB ALA 25 lone 4 73 - 5 - HB2 ARG 30 - QB ALA 25 lone 2 81 - 3 - HB2 ARG 79 - QB ALA 25 lone 2 70 - 3 - Peak 8623 from cnoeabs.peaks (1.97, 1.34, 18.52 ppm; 4.14 A): 2 out of 10 assignments used, quality = 0.95: HB3 LYS 24 + QB ALA 25 OK 77 97 - 80 - 4.4/6408=15, 4.0/8607=13...(20) HB2 LYS 24 + QB ALA 25 OK 77 97 - 80 - 4.4/6408=15, 4.0/8607=13...(20) HB3 MET 74 - QB ALA 25 OK 25 97 - 26 - 3343/2.1=4, 2.9/9597=3...(11) HB2 LYS 73 - QB ALA 25 OK 25 87 - 28 - 4.1/1158=4, 2.9/8622=3...(13) HB3 LYS 73 - QB ALA 25 OK 24 84 - 28 - 4.1/1158=4, 2.9/8622=3...(15) HB2 LYS 47 - QB ALA 25 OK 20 100 - 20 - 3.0/8622=4, ~6396=3...(8) HB2 GLU 37 - QB ALA 25 OK 13 96 - 13 - 8823/2.1=3, 3.0/8624=2...(4) HB2 ARG 46 - QB ALA 25 lone 10 99 - 9 - 8615/2.1=1, 8619/3.6=1 HB3 ARG 46 - QB ALA 25 lone 9 92 - 9 - QE MET 1 - QB ALA 25 lone 8 97 - 8 - 3.3/8625=2, 8619/3.6=1 Peak 8624 from cnoeabs.peaks (2.10, 1.34, 18.52 ppm; 4.04 A): 7 out of 9 assignments used, quality = 0.92: HB3 PRO 86 + QB ALA 25 OK 49 100 - 49 - 3.0/10130=11...(12) HB2 LEU 64 + QB ALA 25 OK 40 90 - 45 - 2810/2.9=6, 3.1/8621=6...(15) QE MET 21 + QB ALA 25 OK 38 100 - 38 - 994/2.1=6, 8551=6...(14) HB2 PRO 86 + QB ALA 25 OK 29 65 - 44 - 3.0/10130=11...(12) HB2 GLU 23 + QB ALA 25 OK 23 77 - 30 - 4.6/8607=11, ~6396=6...(5) HG3 GLU 37 + QB ALA 25 OK 13 96 - 14 - 8827/2.1=2, ~8823=1...(7) HB3 GLU 62 + QB ALA 25 OK 13 84 - 15 - 3.0/10473=5, ~10742=2...(5) HB VAL 83 - QB ALA 25 poor 10 90 - 11 - 2.1/9810=2, 9821=2, 2.1/9818=1 HG3 GLU 104 - QB ALA 25 lone 6 99 - 6 - 4.1/10473=1, 8612/2.9=1 Peak 8625 from cnoeabs.peaks (2.42, 1.34, 18.52 ppm; 6.02 A): 4 out of 7 assignments used, quality = 0.53: HG3 GLU 48 + QB ALA 25 OK 26 98 - 27 - 2257/2.9=4, ~2236=3...(9) HG2 GLN 72 + QB ALA 25 OK 16 100 - 16 - 3217/3.6=7, 7200/1158=1 HG3 GLN 50 + QB ALA 25 OK 14 96 - 15 - ~2298=2, 3217/3.6=2...(5) HG3 MET 1 + QB ALA 25 OK 11 99 - 11 - 4.2/8009=2, 3.3/8623=1 HG3 GLU 17 - QB ALA 25 lone 7 98 - 8 - HG3 GLU 99 - QB ALA 25 lone 5 77 - 7 - 4.1/10473=2 HB2 ASP 11 - QB ALA 25 lone 4 94 - 4 - Peak 8626 from cnoeabs.peaks (1.45, 4.36, 54.31 ppm; 4.66 A): 6 out of 17 assignments used, quality = 0.91: HB2 LEU 27 + HA ASN 26 OK 57 94 - 61 - 4.0/1165=32, 8617/3.0=8...(11) HD2 LYS 82 + HA ASN 26 OK 51 90 - 57 - 3.0/9769=9, 3.5/9764=9...(15) QB ALA 22 + HA ASN 26 OK 25 84 - 30 - 10455/4.9=11, ~8608=10...(5) HD2 LYS 40 + HA ASN 26 OK 21 73 - 29 - 9766=4, 1.8/9766=3...(12) HD3 LYS 40 + HA ASN 26 OK 20 70 - 29 - 1.8/9766=4, 9766=3...(12) HB2 LEU 38 + HA ASN 26 OK 11 97 - 12 - ~10481=2, ~1623=1...(5) HG3 LYS 39 - HA ASN 26 lone 9 97 - 9 - 1.8/8627=2, ~6413=1, 6440/3.6=1 HG3 ARG 91 - HA ASN 26 lone 9 99 - 9 - 4.8/12046=2, 4053/4.4=2 HG2 LYS 12 - HA ASN 26 lone 8 100 - 8 - ~8618=2, 6440/3.6=2...(5) HG LEU 38 - HA ASN 26 lone 7 90 - 8 - 8617/3.0=1 HG13 ILE 52 - HA ASN 26 lone 7 94 - 8 - 6440/3.6=1, 10195/9712=1...(4) HD2 LYS 53 - HA ASN 26 lone 6 90 - 7 - 6440/3.6=1, 8617/3.0=1 HG2 LYS 53 - HA ASN 26 lone 4 77 - 6 - 6440/3.6=1, 8617/3.0=1 HG2 LYS 20 - HA ASN 26 lone 4 94 - 4 - 6440/3.6=1 HG2 LYS 13 - HA ASN 26 lone 2 65 - 3 - 3.9/10478=1 HG LEU 29 - HA ASN 26 lone 1 84 - 2 - HG13 ILE 76 - HA ASN 26 lone 1 87 - 1 - Peak 8627 from cnoeabs.peaks (1.34, 4.36, 54.31 ppm; 4.70 A): 3 out of 10 assignments used, quality = 0.98: QB ALA 25 + HA ASN 26 OK 84 100 - 84 - 3.6/6414=33...(11) HB3 LEU 27 + HA ASN 26 OK 63 97 - 66 - 4.0/1165=32, 1.8/8626=9...(14) HB2 LYS 82 + HA ASN 26 OK 60 98 - 61 - 9764=13, 3656/3.0=8...(18) HB3 LEU 2 - HA ASN 26 OK 38 99 - 39 - 67/3.0=9, ~59=5...(12) QB ALA 89 - HA ASN 26 OK 15 100 - 15 - 6413/3.0=2, 9938/10477=2...(6) HG2 LYS 94 - HA ASN 26 OK 15 100 - 15 - 6441/3.6=2, 1183/4.9=2...(7) HG2 LYS 39 - HA ASN 26 OK 14 96 - 14 - 1.8/8626=2, 6413/3.0=2...(6) QB ALA 67 - HA ASN 26 OK 13 100 - 13 - ~8608=2, 6413/3.0=1...(4) HG LEU 14 - HA ASN 26 OK 10 84 - 12 - 10399/9712=2 HG3 LYS 68 - HA ASN 26 poor 10 87 - 11 - 12321/9712=2, 6441/3.6=1 Peak 8628 from cnoeabs.peaks (1.34, 2.74, 36.97 ppm; 5.38 A): 3 out of 11 assignments used, quality = 0.96: HB2 LYS 82 + HB2 ASN 26 OK 66 100 - 66 - 3656=14, 9764/3.0=12...(13) QB ALA 25 + HB2 ASN 26 OK 65 100 - 66 - 3.6/1166=31...(6) HB3 LEU 27 + HB2 ASN 26 OK 63 100 - 64 - 4.0/1172=31, 8630/1.8=8...(9) HB3 LEU 2 - HB2 ASN 26 OK 25 94 - 27 - 67/3.8=8, 4.6/1166=5...(6) QB ALA 89 - HB2 ASN 26 OK 14 100 - 14 - 8632/3.5=2, 6413/3.8=2...(5) HG2 LYS 39 - HB2 ASN 26 OK 13 100 - 13 - 8627/3.0=2, 8630/1.8=2...(6) HG2 LYS 94 - HB2 ASN 26 OK 13 100 - 13 - 6441/4.7=2, 8630/1.8=2...(5) QB ALA 67 - HB2 ASN 26 OK 10 99 - 10 - 8627/3.0=2, 8630/1.8=1...(5) HG3 LYS 40 - HB2 ASN 26 poor 9 70 - 14 - ~9766=2, ~8626=2...(6) HG LEU 14 - HB2 ASN 26 lone 9 96 - 10 - 8627/3.0=1, 8632/3.5=1 HG3 LYS 68 - HB2 ASN 26 lone 8 97 - 8 - 8627/3.0=1, 8632/3.5=1 Peak 8629 from cnoeabs.peaks (0.75, 2.74, 36.97 ppm; 5.45 A): 7 out of 10 assignments used, quality = 0.91: QD1 LEU 64 + HB2 ASN 26 OK 55 96 - 57 - 9483/3.0=15, 8631/1.8=9...(11) HG3 ARG 81 + HB2 ASN 26 OK 46 92 - 50 - 3611/3.0=9, ~3602=8...(11) QD1 LEU 27 + HB2 ASN 26 OK 36 61 - 59 - 4.7/1172=29, 8631/1.8=10...(8) QG2 ILE 93 + HB2 ASN 26 OK 19 100 - 19 - ~10997=4, 8616/3.8=4...(5) HG13 ILE 93 + HB2 ASN 26 OK 15 98 - 16 - ~10997=5, 8631/1.8=3...(5) HG13 ILE 15 + HB2 ASN 26 OK 11 99 - 11 - 8616/3.8=2, 8631/1.8=2...(4) QD1 ILE 15 + HB2 ASN 26 OK 10 92 - 11 - 8616/3.8=2, 8631/1.8=2...(5) QG1 VAL 78 - HB2 ASN 26 lone 10 99 - 10 - 10906/9478=2, 8631/1.8=2 QG1 VAL 54 - HB2 ASN 26 lone 6 87 - 7 - 8616/3.8=2, 8631/1.8=1 QD2 LEU 42 - HB2 ASN 26 lone 4 70 - 6 - 8616/3.8=2, 8631/1.8=1 Peak 8630 from cnoeabs.peaks (1.34, 3.07, 36.97 ppm; 5.68 A): 3 out of 10 assignments used, quality = 0.95: QB ALA 25 + HB3 ASN 26 OK 69 100 - 69 - 3.6/6416=33...(7) HB3 LEU 27 + HB3 ASN 26 OK 65 97 - 67 - 4.0/1179=35, 8628/1.8=9...(9) HB2 LYS 82 + HB3 ASN 26 OK 54 98 - 56 - 3656/1.8=13, 9764/3.0=13...(10) HB3 LEU 2 - HB3 ASN 26 OK 29 99 - 29 - 67/3.8=10, 4.6/1173=5...(6) HG2 LYS 94 - HB3 ASN 26 OK 17 100 - 17 - 3.7/10481=3, 6441/4.7=2...(6) QB ALA 89 - HB3 ASN 26 OK 15 100 - 15 - 8632/3.5=3, 6413/3.8=3...(5) HG2 LYS 39 - HB3 ASN 26 OK 13 96 - 13 - 8628/1.8=2, 8627/3.0=2...(6) QB ALA 67 - HB3 ASN 26 OK 10 100 - 10 - 8627/3.0=2, 8628/1.8=2...(5) HG3 LYS 68 - HB3 ASN 26 lone 8 87 - 9 - 8627/3.0=1, 8628/1.8=1...(4) HG LEU 14 - HB3 ASN 26 lone 8 84 - 9 - 8627/3.0=1, 8628/1.8=1...(4) Peak 8631 from cnoeabs.peaks (0.75, 3.07, 36.97 ppm; 5.02 A): 6 out of 12 assignments used, quality = 0.85: QD1 LEU 27 + HB3 ASN 26 OK 43 81 - 53 - 4.7/1179=26, 8616/3.8=9...(8) QD1 LEU 64 + HB3 ASN 26 OK 41 84 - 48 - 9483/3.0=11, 8629/1.8=9...(9) HG3 ARG 81 + HB3 ASN 26 OK 33 77 - 43 - 8629/1.8=7, ~3602=7...(9) QG2 ILE 93 + HB3 ASN 26 OK 17 99 - 17 - 8616/3.8=4, 3.1/10997=3...(5) HG13 ILE 93 + HB3 ASN 26 OK 11 90 - 13 - 2.1/10997=4, 8629/1.8=2...(5) QD1 ILE 93 + HB3 ASN 26 OK 11 77 - 14 - 6444/4.7=4, 8616/3.8=3...(4) QD1 ILE 15 - HB3 ASN 26 lone 9 99 - 9 - 8616/3.8=2, 6444/4.7=2...(4) HG13 ILE 15 - HB3 ASN 26 lone 8 100 - 8 - 8616/3.8=2, 8629/1.8=2...(4) QG1 VAL 78 - HB3 ASN 26 lone 7 94 - 7 - 8629/1.8=2, 4.3/7293=1 QG1 VAL 54 - HB3 ASN 26 lone 6 97 - 6 - 8616/3.8=2, 6444/4.7=1 QD2 LEU 42 - HB3 ASN 26 lone 5 87 - 5 - 8616/3.8=2, 6444/4.7=1 QD1 LEU 6 - HB3 ASN 26 lone 2 73 - 3 - Peak 8633 from cnoeabs.peaks (0.95, 1.46, 44.09 ppm; 4.26 A): 3 out of 4 assignments used, quality = 0.78: QG2 VAL 5 + HB2 LEU 27 OK 65 100 - 66 - 8634/1.8=14...(16) HB2 ARG 81 + HB2 LEU 27 OK 23 77 - 30 - 8634/1.8=9, ~9743=3...(10) HG LEU 55 + HB2 LEU 27 OK 18 70 - 25 - 3.7/1189=6, ~2538=4...(9) QG2 VAL 83 - HB2 LEU 27 lone 5 73 - 6 - 4.0/7348=2 Peak 8634 from cnoeabs.peaks (0.93, 1.34, 44.09 ppm; 4.18 A): 2 out of 2 assignments used, quality = 0.63: QG2 VAL 5 + HB3 LEU 27 OK 47 81 - 58 - 8633/1.8=13, 2.1/1201=8...(17) HB2 ARG 81 + HB3 LEU 27 OK 31 100 - 31 - 8633/1.8=4, 3.0/9743=4...(12) Peak 8636 from cnoeabs.peaks (3.83, 1.46, 44.09 ppm; 4.20 A): 3 out of 4 assignments used, quality = 0.90: HA ALA 22 + HB2 LEU 27 OK 66 100 - 66 - 1006/1.8=16, 8638/4.0=14...(13) HA SER 97 + HB2 LEU 27 OK 60 84 - 72 - 8641/3.1=15...(18) HA ALA 71 + HB2 LEU 27 OK 26 73 - 35 - 8639/1.8=7, 3.0/1188=6...(12) HB3 SER 102 - HB2 LEU 27 lone 3 61 - 5 - 8641/3.1=1 Peak 8639 from cnoeabs.peaks (3.83, 1.34, 44.09 ppm; 4.60 A): 4 out of 4 assignments used, quality = 0.92: HA ALA 22 + HB3 LEU 27 OK 72 96 - 75 - 8636/1.8=18, 8638/4.0=16...(17) HA SER 97 + HB3 LEU 27 OK 51 65 - 79 - 8636/1.8=17, 8641/3.1=15...(18) HA ALA 71 + HB3 LEU 27 OK 38 90 - 42 - 8636/1.8=7, 3.0/1196=7...(12) HA ALA 67 + HB3 LEU 27 OK 11 61 - 17 - 3.0/7095=2, 3.6/7110=2...(8) Peak 8640 from cnoeabs.peaks (3.81, 0.73, 25.25 ppm; 3.65 A): 4 out of 5 assignments used, quality = 0.88: HA SER 97 + QD2 LEU 27 OK 72 100 - 72 - 10068=17, 8641/2.1=13...(20) HA ALA 22 + QD2 LEU 27 OK 39 84 - 47 - 8641/2.1=11, 1006/3.1=7...(11) HA LYS 68 + QD2 LEU 27 OK 18 96 - 18 - 2.9/9531=3, 8641/2.1=2...(7) HA ARG 19 + QD2 LEU 27 OK 16 99 - 16 - 3.6/1219=3, 8641/2.1=2...(4) HB3 SER 102 - QD2 LEU 27 lone 7 100 - 7 - 10109/8111=1, 11090=1 Peak 8641 from cnoeabs.peaks (3.82, 0.77, 26.59 ppm; 3.46 A): 3 out of 5 assignments used, quality = 0.86: HA SER 97 + QD1 LEU 27 OK 64 96 - 68 - 3.0/8642=17, 8640/2.1=12...(18) HA ALA 22 + QD1 LEU 27 OK 56 100 - 56 - 1006/3.1=9, 8575=9...(14) HA ARG 19 + QD1 LEU 27 OK 12 77 - 15 - 8640/2.1=3, 3.6/1227=2 HA LYS 68 - QD1 LEU 27 poor 9 61 - 15 - 8640/2.1=3, 3.0/10484=2, ~9531=1 HB3 SER 102 - QD1 LEU 27 lone 5 81 - 6 - 8093/10137=1, 8640/2.1=1 Peak 8642 from cnoeabs.peaks (3.96, 0.77, 26.59 ppm; 3.75 A): 3 out of 3 assignments used, quality = 0.68: HB2 SER 97 + QD1 LEU 27 OK 58 87 - 67 - 3.0/8641=13, 8643/2.1=13...(17) HD3 PRO 86 + QD1 LEU 27 OK 12 77 - 16 - 8643/2.1=4, ~8643=3...(5) HD2 PRO 86 + QD1 LEU 27 OK 12 73 - 16 - 8643/2.1=4, ~8643=3...(5) Peak 8643 from cnoeabs.peaks (3.97, 0.73, 25.25 ppm; 3.84 A): 4 out of 4 assignments used, quality = 0.80: HB2 SER 97 + QD2 LEU 27 OK 49 70 - 71 - 8642/2.1=25, 3.0/8640=14...(15) HB3 SER 97 + QD2 LEU 27 OK 44 65 - 68 - ~8642=17, 3.0/8640=14...(16) HD3 PRO 86 + QD2 LEU 27 OK 17 92 - 18 - 8642/2.1=5, ~8642=3...(5) HD2 PRO 86 + QD2 LEU 27 OK 16 90 - 18 - 8642/2.1=5, ~8642=4...(5) Peak 8644 from cnoeabs.peaks (6.95, 0.77, 26.59 ppm; 4.25 A): 2 out of 2 assignments used, quality = 0.76: HE1 PHE 96 + QD1 LEU 27 OK 53 87 - 61 - 2.5/8645=20, 8646/2.1=15...(12) HE2 PHE 96 + QD1 LEU 27 OK 49 81 - 61 - 2.5/8645=19, 8646/2.1=14...(12) Peak 8645 from cnoeabs.peaks (7.04, 0.77, 26.59 ppm; 3.77 A): 2 out of 2 assignments used, quality = 0.72: HD1 PHE 96 + QD1 LEU 27 OK 48 90 - 54 - 8647/2.1=16, 2.5/8644=14...(12) HD2 PHE 96 + QD1 LEU 27 OK 46 87 - 53 - 8647/2.1=16, 2.5/8644=13...(11) Peak 8646 from cnoeabs.peaks (6.96, 0.73, 25.25 ppm; 4.20 A): 2 out of 2 assignments used, quality = 0.83: HE1 PHE 96 + QD2 LEU 27 OK 60 100 - 60 - 2.5/8647=18, 8644/2.1=15...(13) HE2 PHE 96 + QD2 LEU 27 OK 59 100 - 59 - 2.5/8647=17, 8644/2.1=13...(13) Peak 8647 from cnoeabs.peaks (7.04, 0.73, 25.25 ppm; 4.00 A): 2 out of 2 assignments used, quality = 0.74: HD1 PHE 96 + QD2 LEU 27 OK 51 90 - 57 - 8645/2.1=20, 2.5/8646=16...(13) HD2 PHE 96 + QD2 LEU 27 OK 48 87 - 55 - 8645/2.1=19, 2.5/8646=15...(13) Peak 8648 from cnoeabs.peaks (7.01, 1.60, 26.52 ppm; 5.48 A): 0 out of 3 assignments used, low quality = 0.45: HD2 PHE 96 - HG LEU 27 OK 26 65 - 40 - ~8646=17, ~8644=17...(6) HD1 PHE 96 - HG LEU 27 OK 25 61 - 41 - ~8644=18, ~8646=18...(6) HE ARG 91 - HG LEU 27 lone 3 73 - 4 - Peak 8651 from cnoeabs.peaks (6.44, 4.31, 55.46 ppm; 5.51 A): 4 out of 4 assignments used, quality = 0.97: HE1 TYR 4 + HA GLU 28 OK 61 100 - 61 - 8653/3.0=11...(11) HE2 TYR 4 + HA GLU 28 OK 60 99 - 60 - 2.5/14579=11...(11) HD1 TYR 4 + HA GLU 28 OK 59 94 - 62 - 8653/3.0=12, 8652/3.0=12...(12) HD2 TYR 4 + HA GLU 28 OK 58 94 - 62 - 8653/3.0=12, 8652/3.0=11...(12) Peak 8652 from cnoeabs.peaks (6.43, 1.74, 30.51 ppm; 3.79 A): 4 out of 4 assignments used, quality = 0.79: HD1 TYR 4 + HB2 GLU 28 OK 38 100 - 38 - 4.2/8656=11, 8653/1.8=7...(12) HD2 TYR 4 + HB2 GLU 28 OK 37 100 - 37 - 4.3/8656=11, 8653/1.8=7...(12) HE1 TYR 4 + HB2 GLU 28 OK 27 84 - 33 - 8653/1.8=7, 6.3/8656=6...(11) HE2 TYR 4 + HB2 GLU 28 OK 25 77 - 32 - 8653/1.8=7, 6.4/8656=6...(11) Peak 8653 from cnoeabs.peaks (6.44, 1.56, 30.51 ppm; 4.03 A): 4 out of 4 assignments used, quality = 0.88: HD1 TYR 4 + HB3 GLU 28 OK 43 94 - 45 - 4.2/8657=12, 8652/1.8=10...(14) HD2 TYR 4 + HB3 GLU 28 OK 42 94 - 45 - 4.3/8657=12, 8652/1.8=10...(14) HE1 TYR 4 + HB3 GLU 28 OK 41 100 - 41 - 8652/1.8=7, ~8652=7...(13) HE2 TYR 4 + HB3 GLU 28 OK 40 99 - 40 - ~8652=7, 8652/1.8=7...(12) Peak 8654 from cnoeabs.peaks (6.44, 2.06, 35.83 ppm; 4.42 A): 8 out of 8 assignments used, quality = 0.99: HE1 TYR 4 + HG2 GLU 28 OK 47 100 - 47 - 8653/3.0=9, 8652/3.0=7...(13) HE1 TYR 4 + HG3 GLU 28 OK 47 100 - 47 - 8653/3.0=9, 8652/3.0=7...(13) HD1 TYR 4 + HG2 GLU 28 OK 46 94 - 49 - 8652/3.0=9, 8653/3.0=9...(15) HD1 TYR 4 + HG3 GLU 28 OK 46 94 - 49 - 8652/3.0=9, 8653/3.0=9...(15) HE2 TYR 4 + HG3 GLU 28 OK 46 99 - 47 - 8653/3.0=8, 8652/3.0=6...(13) HE2 TYR 4 + HG2 GLU 28 OK 46 99 - 47 - 8653/3.0=8, 8652/3.0=6...(13) HD2 TYR 4 + HG3 GLU 28 OK 46 94 - 49 - 8652/3.0=9, 8653/3.0=9...(15) HD2 TYR 4 + HG2 GLU 28 OK 46 94 - 49 - 8652/3.0=9, 8653/3.0=9...(15) Peak 8656 from cnoeabs.peaks (5.15, 1.74, 30.51 ppm; 4.31 A): 3 out of 4 assignments used, quality = 0.74: HA TYR 4 + HB2 GLU 28 OK 60 97 - 62 - 8657/1.8=22, 8655/4.0=15...(11) HA VAL 54 + HB2 GLU 28 OK 22 94 - 23 - 8657/1.8=8, 8655/4.0=8...(5) HA ILE 7 + HB2 GLU 28 OK 17 61 - 28 - 3.0/1241=7, 8657/1.8=6...(9) HA SER 85 - HB2 GLU 28 lone 3 81 - 3 - 8657/1.8=1 Peak 8657 from cnoeabs.peaks (5.15, 1.56, 30.51 ppm; 4.37 A): 3 out of 4 assignments used, quality = 0.78: HA TYR 4 + HB3 GLU 28 OK 64 97 - 66 - 8656/1.8=23...(11) HA VAL 54 + HB3 GLU 28 OK 24 94 - 25 - 8656/1.8=9, 8655/4.0=8...(7) HA ILE 7 + HB3 GLU 28 OK 18 61 - 30 - 3.0/1248=7, 8656/1.8=7...(10) HA SER 85 - HB3 GLU 28 lone 3 81 - 4 - 8656/1.8=1 Peak 8658 from cnoeabs.peaks (4.67, 1.56, 30.51 ppm; 5.09 A): 0 out of 2 assignments used, low quality = 0.31: HA LEU 27 - HB3 GLU 28 OK 31 81 - 39 - 6448/4.0=30, 4.0/10132=5...(4) HA LEU 55 - HB3 GLU 28 lone 5 99 - 5 - 6448/4.0=3 Peak 8659 from cnoeabs.peaks (5.15, 2.06, 35.83 ppm; 6.22 A): 4 out of 8 assignments used, quality = 0.96: HA TYR 4 + HG3 GLU 28 OK 69 97 - 71 - 8656/3.0=29, 8657/3.0=28...(8) HA TYR 4 + HG2 GLU 28 OK 69 97 - 71 - 8656/3.0=29, 8657/3.0=28...(8) HA VAL 54 + HG2 GLU 28 OK 33 94 - 35 - 8655/5.0=12, 8657/3.0=10...(4) HA VAL 54 + HG3 GLU 28 OK 33 94 - 35 - 8655/5.0=12, 8657/3.0=10...(4) HA ILE 7 - HG2 GLU 28 OK 26 61 - 42 - 8657/3.0=8, 8656/3.0=8...(8) HA ILE 7 - HG3 GLU 28 OK 26 61 - 42 - 8657/3.0=8, 8656/3.0=8...(8) HA SER 85 - HG3 GLU 28 lone 4 81 - 5 - 8657/3.0=1, 8656/3.0=1 HA SER 85 - HG2 GLU 28 lone 4 81 - 5 - 8657/3.0=1, 8656/3.0=1 Peak 8661 from cnoeabs.peaks (1.45, 4.31, 55.46 ppm; 4.67 A): 3 out of 17 assignments used, quality = 0.91: HB2 LEU 27 + HA GLU 28 OK 69 94 - 74 - ~6448=20, 1195/3.0=15...(13) HG LEU 29 + HA GLU 28 OK 56 84 - 67 - 3.6/10491=26...(8) QB ALA 22 + HA GLU 28 OK 35 84 - 42 - 8586/3.6=13, 10452=13...(9) HG2 LYS 20 - HA GLU 28 OK 17 94 - 19 - 882/3.0=4, ~893=3...(5) HD2 LYS 82 - HA GLU 28 OK 17 90 - 19 - 1.8/1231=4, ~6456=4...(9) HD2 LYS 53 - HA GLU 28 OK 17 90 - 19 - 1.8/1231=3, 6449/3.0=3...(9) HG2 LYS 53 - HA GLU 28 OK 13 77 - 17 - 3.0/1231=3, 882/3.0=2...(8) HB2 LEU 38 - HA GLU 28 OK 11 97 - 11 - 6449/3.0=1, 1.8/1233=1 HG3 LYS 39 - HA GLU 28 OK 11 97 - 11 - 6470/3.6=3, ~6450=1 HG2 LYS 12 - HA GLU 28 OK 10 100 - 10 - 6470/3.6=2, ~6451=1...(5) HG LEU 38 - HA GLU 28 lone 8 90 - 9 - 6449/3.0=1, 3.0/1232=1 HG13 ILE 52 - HA GLU 28 lone 8 94 - 9 - 6449/3.0=2, ~6453=1, 2373/3.6=1 HD2 LYS 40 - HA GLU 28 lone 7 73 - 9 - 3.0/8662=3, 6449/3.0=2, ~6449=1 HD3 LYS 40 - HA GLU 28 lone 6 70 - 9 - 3.0/8662=3, 6449/3.0=2, ~6449=1 HG13 ILE 76 - HA GLU 28 lone 6 87 - 6 - 6470/3.6=3, 1288/10491=1 HG3 ARG 91 - HA GLU 28 lone 2 99 - 2 - HG2 LYS 13 - HA GLU 28 lone 1 65 - 2 - Peak 8662 from cnoeabs.peaks (1.16, 4.31, 55.46 ppm; 4.98 A): 4 out of 5 assignments used, quality = 0.86: HB2 LEU 29 + HA GLU 28 OK 76 99 - 76 - 2.9/10491=34...(10) HB3 LEU 3 + HA GLU 28 OK 26 81 - 33 - 6468/3.6=8, ~6456=6...(11) HG2 LYS 40 + HA GLU 28 OK 14 98 - 14 - 6468/3.6=5, 1265/10491=2...(5) HB2 LEU 6 + HA GLU 28 OK 10 73 - 14 - 4.3/1234=6, 200/3.6=5, ~6453=1 QG2 THR 34 - HA GLU 28 lone 5 90 - 5 - 6468/3.6=1 Peak 8666 from cnoeabs.peaks (0.94, 5.66, 53.19 ppm; 4.77 A): 2 out of 2 assignments used, quality = 0.94: QG2 VAL 5 + HA LEU 29 OK 91 94 - 96 - 2.1/8173=46, 8175=43...(15) HB2 ARG 81 + HA LEU 29 OK 36 99 - 36 - 8578/10453=8...(10) Peak 8667 from cnoeabs.peaks (0.73, 5.66, 53.19 ppm; 4.29 A): 2 out of 9 assignments used, quality = 0.92: QG1 VAL 5 + HA LEU 29 OK 88 96 - 92 - 2.1/8173=41, 8174=35...(16) QD2 LEU 27 + HA LEU 29 OK 31 99 - 32 - 10133/2.9=4, 2.1/1266=4...(14) HG3 ARG 81 - HA LEU 29 OK 20 99 - 20 - 2.9/8666=8, ~10498=4...(7) QG2 VAL 78 - HA LEU 29 OK 14 84 - 17 - 8174=5, 8166/3.6=2...(8) QG1 VAL 78 - HA LEU 29 OK 13 90 - 15 - 2.1/8174=4, 10497/2.9=2...(6) HG13 ILE 93 - HA LEU 29 OK 11 94 - 12 - 10018/8666=2...(7) QG2 ILE 93 - HA LEU 29 poor 10 73 - 13 - 10322/8175=3...(6) QD1 LEU 64 - HA LEU 29 lone 3 97 - 3 - QG1 VAL 58 - HA LEU 29 lone 3 81 - 3 - Peak 8668 from cnoeabs.peaks (1.86, 5.66, 53.19 ppm; 3.95 A): 2 out of 7 assignments used, quality = 0.95: HB VAL 5 + HA LEU 29 OK 92 100 - 92 - 8173=50, 2.1/8175=27...(16) HB2 LYS 12 + HA LEU 29 OK 35 100 - 35 - 8670/2.9=3, 3.0/1266=3...(20) HB3 LYS 12 - HA LEU 29 OK 34 99 - 34 - 8670/2.9=3, 3.0/1266=3...(19) HB3 LYS 68 - HA LEU 29 OK 22 94 - 24 - 8670/2.9=3, ~8679=3...(12) HB3 LYS 39 - HA LEU 29 OK 21 100 - 21 - 3.0/1267=3, 8670/2.9=2...(11) HB3 LYS 66 - HA LEU 29 OK 13 100 - 13 - 2903/2.9=2, 8715/3.6=2...(5) HB3 GLU 104 - HA LEU 29 lone 3 96 - 3 - Peak 8669 from cnoeabs.peaks (1.87, 1.16, 44.91 ppm; 4.89 A): 6 out of 10 assignments used, quality = 1.00: HB VAL 5 + HB2 LEU 29 OK 86 90 - 96 - 8173/2.9=34, ~8175=24...(20) HB3 LYS 12 + HB2 LEU 29 OK 59 98 - 61 - 8670/1.8=6, 8668/2.9=5...(28) HB2 LYS 12 + HB2 LEU 29 OK 57 96 - 59 - 8670/1.8=6, 8668/2.9=5...(27) HB3 LYS 68 + HB2 LEU 29 OK 54 100 - 54 - 3.0/8512=7, ~8685=6...(17) HB2 ARG 19 + HB2 LEU 29 OK 49 57 - 86 - ~8518=13, ~8685=13...(26) HB VAL 54 + HB2 LEU 29 OK 48 84 - 57 - 2490/3.1=8, 2.1/1277=8...(17) HB3 LYS 39 - HB2 LEU 29 OK 40 92 - 44 - ~10568=9, 4.6/6631=5...(16) HB3 LYS 66 - HB2 LEU 29 OK 20 90 - 22 - ~8673=3, 8670/1.8=3...(9) HB2 LYS 20 - HB2 LEU 29 lone 6 70 - 9 - ~10423=3, 8674/3.1=2 HB3 GLU 104 - HB2 LEU 29 lone 5 100 - 5 - Peak 8670 from cnoeabs.peaks (1.86, 1.60, 44.91 ppm; 5.25 A): 4 out of 7 assignments used, quality = 1.00: HB VAL 5 + HB3 LEU 29 OK 98 100 - 98 - 8173/2.9=45, 8191/1.8=29...(19) HB3 LYS 12 + HB3 LEU 29 OK 65 100 - 65 - 8668/2.9=7, 8669/1.8=6...(33) HB2 LYS 12 + HB3 LEU 29 OK 64 100 - 65 - 8668/2.9=7, 8669/1.8=5...(32) HB3 LYS 68 + HB3 LEU 29 OK 57 97 - 59 - ~8685=7, ~8688=7...(18) HB3 LYS 39 - HB3 LEU 29 OK 44 100 - 45 - ~10568=11, 3.0/1283=5...(17) HB3 LYS 66 - HB3 LEU 29 OK 30 100 - 30 - ~8673=4, 2903=3...(13) HB3 GLU 104 - HB3 LEU 29 lone 6 98 - 6 - Peak 8671 from cnoeabs.peaks (1.85, 0.65, 26.64 ppm; 3.76 A): 6 out of 7 assignments used, quality = 0.88: HB VAL 5 + QD1 LEU 29 OK 58 77 - 75 - 2.1/10500=27...(16) HB2 LYS 68 + QD1 LEU 29 OK 35 96 - 36 - 3.0/8688=8, ~8685=5...(15) HB2 LYS 53 + QD1 LEU 29 OK 22 99 - 22 - 3.0/9200=6, 4.4/6897=6...(5) HB2 LYS 12 + QD1 LEU 29 OK 20 65 - 31 - 3.0/1306=3, 3.0/1307=3...(16) HB3 LYS 39 + QD1 LEU 29 OK 19 73 - 26 - 3.0/10568=11, ~10568=5...(6) HB3 LYS 90 + QD1 LEU 29 OK 11 87 - 13 - 3.6/10499=2, ~10285=2 HB3 LYS 66 - QD1 LEU 29 lone 8 77 - 10 - ~8673=3, 2903/3.1=1 Peak 8672 from cnoeabs.peaks (1.21, 0.65, 26.64 ppm; 3.20 A): 0 out of 2 assignments used, low quality = 0.41: QB ALA 18 - QD1 LEU 29 OK 41 84 - 49 - 8483/2.1=10, 3.6/8691=9...(12) HB2 LEU 57 - QD1 LEU 29 lone 2 61 - 3 - Peak 8673 from cnoeabs.peaks (1.76, 0.64, 24.70 ppm; 3.67 A): 4 out of 6 assignments used, quality = 0.91: HG3 ARG 19 + QD2 LEU 29 OK 85 100 - 85 - 8520=22, ~8518=14...(28) HB2 GLU 28 + QD2 LEU 29 OK 20 65 - 30 - 4.6/1295=9, ~8662=5...(8) HB2 LYS 66 + QD2 LEU 29 OK 15 98 - 16 - 2891/3.1=1, 1.8/8674=1 HB3 LYS 82 + QD2 LEU 29 OK 14 99 - 14 - 3669/4.6=3, 4.6/1302=3...(4) HB ILE 56 - QD2 LEU 29 lone 6 100 - 6 - HB3 GLU 63 - QD2 LEU 29 lone 1 65 - 2 - Peak 8674 from cnoeabs.peaks (1.88, 0.64, 24.70 ppm; 3.48 A): 5 out of 12 assignments used, quality = 0.95: HB2 ARG 19 + QD2 LEU 29 OK 64 77 - 83 - 3.0/8685=16, 3.0/8673=15...(32) HB VAL 5 + QD2 LEU 29 OK 48 73 - 65 - ~10500=14, 8173/4.1=10...(17) HB VAL 54 + QD2 LEU 29 OK 46 96 - 48 - 2490/2.1=8, 2490=7...(20) HB3 LYS 68 + QD2 LEU 29 OK 33 98 - 34 - 3.0/8685=8, ~8671=4...(15) HB3 LYS 12 + QD2 LEU 29 OK 30 90 - 34 - 3.0/1298=3, 3.0/1299=3...(16) HB2 LYS 12 - QD2 LEU 29 OK 27 84 - 32 - 3.0/1298=3, 3.0/1299=3...(15) HB3 LYS 39 - QD2 LEU 29 OK 18 77 - 24 - ~10568=6, 3.0/10568=5...(8) HB2 LYS 20 - QD2 LEU 29 OK 15 87 - 17 - 4.6/10442=3, 4.0/8528=3...(6) HB3 LYS 66 - QD2 LEU 29 poor 10 73 - 13 - 1.8/8673=4 HB ILE 8 - QD2 LEU 29 lone 4 65 - 7 - 2.1/10501=2 HB3 GLU 104 - QD2 LEU 29 lone 2 97 - 2 - HG LEU 42 - QD2 LEU 29 lone 2 61 - 4 - Peak 8675 from cnoeabs.peaks (1.87, 1.44, 27.00 ppm; 4.26 A): 4 out of 20 assignments used, quality = 0.96: HB VAL 5 + HG LEU 29 OK 74 90 - 83 - 8173/3.6=24, ~10500=21...(16) HB2 ARG 19 + HG LEU 29 OK 47 57 - 83 - ~8518=13, ~8685=13...(27) HB3 LYS 68 + HG LEU 29 OK 47 100 - 47 - ~8685=6, ~8688=6...(16) HB3 LYS 12 + HG LEU 29 OK 46 98 - 48 - 8674/2.1=4, 8668/3.6=4...(26) HB2 LYS 12 - HG LEU 29 OK 44 96 - 46 - 8668/3.6=4, 8674/2.1=4...(25) HB3 LYS 39 - HG13 ILE 76 OK 43 73 - 59 - ~8956=8, 1.8/1685=6...(25) HB VAL 54 - HG LEU 29 OK 38 84 - 45 - 2490/2.1=8, 8674/2.1=7...(14) HB3 LYS 39 - HG LEU 29 OK 35 92 - 38 - ~10568=9, 1.8/1685=3...(17) HB VAL 54 - HG13 ILE 76 OK 21 65 - 32 - ~10885=12, ~11070=7...(6) HB3 LYS 12 - HG13 ILE 76 OK 16 80 - 20 - 4.2/6176=2, ~9668=2...(7) HB3 LYS 68 - HG13 ILE 76 OK 16 84 - 19 - 1.8/10284=2, ~3435=1...(7) HB3 LYS 66 - HG13 ILE 76 OK 16 70 - 23 - ~9639=5, 9516/2.1=4...(9) HB2 LYS 12 - HG13 ILE 76 OK 16 77 - 20 - 4.2/6176=2, ~9668=2...(7) HB3 LYS 66 - HG LEU 29 OK 14 90 - 15 - ~8673=3, 2903/3.0=2...(7) HB2 ARG 19 - HG13 ILE 76 OK 13 42 - 32 - ~8516=5, ~9654=4...(12) HB VAL 5 - HG13 ILE 76 poor 8 70 - 11 - 8173/1288=2, 8165/1294=1...(4) HB2 LYS 20 - HG LEU 29 lone 6 70 - 8 - ~10423=3, 8674/2.1=2 HB2 LYS 20 - HG13 ILE 76 lone 5 52 - 9 - ~9638=2, ~9640=1...(4) HB3 GLU 104 - HG LEU 29 lone 3 100 - 3 - HB3 GLU 104 - HG13 ILE 76 lone 2 84 - 3 - Peak 8676 from cnoeabs.peaks (4.31, 1.60, 44.91 ppm; 5.52 A): 3 out of 4 assignments used, quality = 0.91: HA GLU 28 + HB3 LEU 29 OK 81 100 - 81 - 10491/2.9=40...(10) HA LEU 103 + HB3 LEU 29 OK 41 97 - 42 - 8678/1.8=9, 8682/2.9=8...(11) HA ASP 65 + HB3 LEU 29 OK 21 99 - 21 - 6462/4.0=5, 8682/2.9=4...(5) HA ASP 36 - HB3 LEU 29 lone 5 61 - 8 - 8678/1.8=3, 8682/2.9=2, ~8793=1 Peak 8677 from cnoeabs.peaks (3.82, 1.60, 44.91 ppm; 5.19 A): 2 out of 5 assignments used, quality = 0.98: HA ALA 22 + HB3 LEU 29 OK 87 96 - 91 - ~8577=30, ~10453=25...(17) HA ARG 19 + HB3 LEU 29 OK 81 94 - 87 - 8512/1.8=15, 8507/3.1=15...(26) HA LYS 68 - HB3 LEU 29 OK 40 84 - 48 - 8512/1.8=9, 8507/3.1=6...(13) HA SER 97 - HB3 LEU 29 OK 20 100 - 20 - 8679/1.8=3, 3.0/10077=2...(5) HB3 SER 102 - HB3 LEU 29 OK 12 96 - 12 - 8679/1.8=2, 4.5/7649=2...(5) Peak 8678 from cnoeabs.peaks (4.30, 1.16, 44.91 ppm; 6.11 A): 4 out of 4 assignments used, quality = 0.88: HA GLU 28 + HB2 LEU 29 OK 71 87 - 82 - 10491/2.9=34...(10) HA LEU 103 + HB2 LEU 29 OK 46 100 - 45 - 8676/1.8=11, ~10503=10...(15) HA ASP 65 + HB2 LEU 29 OK 15 77 - 19 - 8676/1.8=5, 6462/4.0=5 HA ASP 36 + HB2 LEU 29 OK 13 94 - 14 - 10540/6631=3, 8682/2.9=2...(6) Peak 8679 from cnoeabs.peaks (3.81, 1.16, 44.91 ppm; 5.26 A): 3 out of 5 assignments used, quality = 0.98: HA ARG 19 + HB2 LEU 29 OK 90 100 - 90 - 8685/3.1=23, 8688/3.1=22...(23) HA ALA 22 + HB2 LEU 29 OK 58 65 - 89 - ~10453=25, ~8692=20...(17) HA LYS 68 + HB2 LEU 29 OK 57 100 - 58 - 8512=11, 8685/3.1=11...(15) HA SER 97 - HB2 LEU 29 OK 19 96 - 20 - 8677/1.8=3, 10066/135=2...(8) HB3 SER 102 - HB2 LEU 29 OK 13 100 - 12 - 8688/3.1=3, 8685/3.1=2...(4) Peak 8680 from cnoeabs.peaks (5.13, 5.66, 53.19 ppm; 6.18 A): 4 out of 5 assignments used, quality = 0.96: HA ILE 7 + HA LEU 29 OK 67 98 - 68 - 3.0/1263=17, 233/2.9=12...(14) HA VAL 5 + HA LEU 29 OK 60 61 - 98 - 3.0/8172=50, 3.0/8173=49...(19) HA LEU 3 + HA LEU 29 OK 48 100 - 48 - 3.0/1265=11, ~6468=7...(12) HA TYR 4 + HA LEU 29 OK 41 65 - 63 - 3.6/8172=48, ~6035=6...(9) HA SER 85 - HA LEU 29 lone 5 90 - 6 - 8218/8681=1 Peak 8681 from cnoeabs.peaks (5.46, 5.66, 53.19 ppm; 5.57 A): 1 out of 1 assignment used, quality = 0.79: HA LEU 6 + HA LEU 29 OK 79 92 - 86 - 8698/3.6=39, 8684/4.1=31...(13) Peak 8682 from cnoeabs.peaks (4.30, 5.66, 53.19 ppm; 5.82 A): 3 out of 4 assignments used, quality = 0.92: HA GLU 28 + HA LEU 29 OK 84 97 - 86 - 1234/2.9=37, 10491=31...(10) HA LEU 103 + HA LEU 29 OK 38 100 - 38 - 8678/2.9=10, 8676/2.9=10...(10) HA ASP 65 + HA LEU 29 OK 18 92 - 20 - 6462/2.9=6, 8676/2.9=5...(4) HA ASP 36 - HA LEU 29 lone 7 81 - 9 - 8678/2.9=3, 8676/2.9=1 Peak 8683 from cnoeabs.peaks (4.92, 0.64, 24.70 ppm; 3.92 A): 1 out of 1 assignment used, quality = 0.69: HA ARG 30 + QD2 LEU 29 OK 69 98 - 70 - 3.0/1302=24, ~1310=13...(16) Peak 8684 from cnoeabs.peaks (5.46, 0.64, 24.70 ppm; 5.22 A): 1 out of 1 assignment used, quality = 0.79: HA LEU 6 + QD2 LEU 29 OK 79 99 - 79 - 8687/2.1=37, 8698/4.6=34...(9) Peak 8685 from cnoeabs.peaks (3.80, 0.64, 24.70 ppm; 3.53 A): 2 out of 4 assignments used, quality = 0.82: HA ARG 19 + QD2 LEU 29 OK 73 90 - 82 - 8688/2.1=19, 8507=14...(27) HA LYS 68 + QD2 LEU 29 OK 35 97 - 36 - 8688/2.1=9, 8507=6...(12) HA SER 97 - QD2 LEU 29 lone 6 65 - 9 - 8688/2.1=2 HB3 SER 102 - QD2 LEU 29 lone 6 87 - 6 - 8688/2.1=2 Peak 8686 from cnoeabs.peaks (3.19, 0.64, 24.70 ppm; 4.27 A): 2 out of 5 assignments used, quality = 0.95: HD3 ARG 19 + QD2 LEU 29 OK 78 92 - 85 - 3.0/8673=22, ~8518=13...(25) HD2 ARG 19 + QD2 LEU 29 OK 78 92 - 85 - 3.0/8673=22, ~8518=13...(25) HD3 ARG 46 - QD2 LEU 29 lone 5 97 - 6 - 9020/10501=1 HB3 TRP 92 - QD2 LEU 29 lone 2 94 - 3 - HB2 HIS 106 - QD2 LEU 29 lone 2 100 - 2 - Peak 8687 from cnoeabs.peaks (5.46, 0.65, 26.64 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.81: HA LEU 6 + QD1 LEU 29 OK 81 100 - 81 - 8684/2.1=41, 8698/4.6=37...(8) Peak 8688 from cnoeabs.peaks (3.80, 0.65, 26.64 ppm; 3.64 A): 2 out of 4 assignments used, quality = 0.84: HA ARG 19 + QD1 LEU 29 OK 75 90 - 84 - 8685/2.1=22, 4.9/8672=17...(29) HA LYS 68 + QD1 LEU 29 OK 36 97 - 38 - 8685/2.1=10, 3.0/8671=5...(13) HB3 SER 102 - QD1 LEU 29 poor 9 87 - 10 - 4.5/10503=4, 8685/2.1=2 HA SER 97 - QD1 LEU 29 poor 7 65 - 10 - 8685/2.1=2, 809/8518=1 Peak 8689 from cnoeabs.peaks (3.26, 0.65, 26.64 ppm; 5.70 A): 1 out of 1 assignment used, quality = 0.69: HA ILE 15 + QD1 LEU 29 OK 69 100 - 69 - 8459/2.1=19, 772/8672=17...(12) Peak 8690 from cnoeabs.peaks (8.81, 0.65, 26.64 ppm; 4.79 A): 2 out of 3 assignments used, quality = 0.92: H ALA 22 + QD1 LEU 29 OK 90 99 - 91 - 8692/2.1=25, 8568=23...(24) H ILE 8 + QD1 LEU 29 OK 17 81 - 21 - 4.7/1303=9, 6086/4.8=3...(4) H SER 59 - QD1 LEU 29 lone 4 81 - 5 - Peak 8691 from cnoeabs.peaks (8.90, 0.65, 26.64 ppm; 4.28 A): 2 out of 3 assignments used, quality = 0.96: H ARG 19 + QD1 LEU 29 OK 94 100 - 94 - 3.6/8672=34, 3.0/8688=22...(28) H VAL 5 + QD1 LEU 29 OK 42 57 - 73 - 4.0/10500=23...(15) H ASP 77 - QD1 LEU 29 OK 22 94 - 23 - 8693/2.1=4, 7266/2.1=4...(10) Peak 8692 from cnoeabs.peaks (8.82, 0.64, 24.70 ppm; 5.33 A): 1 out of 1 assignment used, quality = 0.88: H ALA 22 + QD2 LEU 29 OK 88 97 - 91 - 8690/2.1=28, 2.9/8580=25...(23) Peak 8693 from cnoeabs.peaks (8.90, 0.64, 24.70 ppm; 4.12 A): 2 out of 3 assignments used, quality = 0.95: H ARG 19 + QD2 LEU 29 OK 90 100 - 90 - 3.0/8685=22, 8691/2.1=20...(29) H VAL 5 + QD2 LEU 29 OK 50 77 - 65 - 8172/4.1=16, 3.0/8193=11...(12) H ASP 77 - QD2 LEU 29 OK 17 81 - 21 - 8691/2.1=5, 7266/2.1=3...(8) Peak 8694 from cnoeabs.peaks (8.91, 5.66, 53.19 ppm; 4.14 A): 3 out of 3 assignments used, quality = 0.94: H VAL 5 + HA LEU 29 OK 89 99 - 90 - 8172=49, 3.9/8173=26...(13) H ARG 19 + HA LEU 29 OK 35 81 - 43 - 8693/4.1=11, 8505/4.1=8...(11) H LEU 57 + HA LEU 29 OK 16 77 - 21 - 10505/3.6=5, 167/8173=4...(7) Peak 8696 from cnoeabs.peaks (5.46, 1.60, 32.55 ppm; 5.60 A): 1 out of 1 assignment used, quality = 0.79: HA LEU 6 + HB2 ARG 30 OK 79 96 - 82 - 8699/1.8=42, 8698/4.0=39...(15) Peak 8697 from cnoeabs.peaks (6.85, 1.60, 32.55 ppm; 4.71 A): 4 out of 4 assignments used, quality = 0.87: HE2 TYR 41 + HB2 ARG 30 OK 50 97 - 52 - 8703/2.9=13, 8710/3.6=7...(12) HE1 TYR 41 + HB2 ARG 30 OK 50 94 - 54 - 8703/2.9=14, ~8700=8...(12) HD1 TYR 41 + HB2 ARG 30 OK 35 65 - 53 - 8700/1.8=10, 8709/3.6=9...(12) HE21 GLN 72 + HB2 ARG 30 OK 19 98 - 19 - ~9565=4, 8703/2.9=4...(8) Peak 8699 from cnoeabs.peaks (5.46, 1.37, 32.55 ppm; 5.56 A): 1 out of 1 assignment used, quality = 0.82: HA LEU 6 + HB3 ARG 30 OK 82 96 - 86 - 8696/1.8=41, 8698/4.0=39...(16) Peak 8700 from cnoeabs.peaks (6.84, 1.37, 32.55 ppm; 4.87 A): 5 out of 5 assignments used, quality = 0.90: HD1 TYR 41 + HB3 ARG 30 OK 58 96 - 61 - 8709/3.6=17, ~8703=9...(14) HD2 TYR 41 + HB3 ARG 30 OK 48 90 - 53 - 8709/3.6=15, ~8697=9...(13) HE2 TYR 41 + HB3 ARG 30 OK 28 70 - 40 - 8697/1.8=11, 8703/2.9=8...(7) HE1 TYR 41 + HB3 ARG 30 OK 27 61 - 44 - 8697/1.8=11, 8703/2.9=8...(8) HE21 GLN 72 + HB3 ARG 30 OK 15 73 - 20 - 3.5/9565=6, 8697/1.8=4...(7) Peak 8701 from cnoeabs.peaks (6.14, 1.29, 26.44 ppm; 5.58 A): 1 out of 1 assignment used, quality = 0.61: HZ PHE 45 + HG2 ARG 30 OK 61 100 - 61 - 8707/3.0=37, 14693=18...(8) Peak 8702 from cnoeabs.peaks (6.44, 1.29, 26.44 ppm; 5.12 A): 4 out of 4 assignments used, quality = 0.48: HD2 TYR 4 + HG2 ARG 30 OK 17 100 - 17 - 5.4/6036=5, 14574/1.8=2...(4) HD1 TYR 4 + HG2 ARG 30 OK 17 100 - 17 - 5.6/6036=4, 14574/1.8=2...(4) HE1 TYR 4 + HG2 ARG 30 OK 13 94 - 14 - 7.6/6036=3, 14593/1.8=2...(4) HE2 TYR 4 + HG2 ARG 30 OK 13 90 - 14 - 7.4/6036=3, 14593/1.8=2...(4) Peak 8703 from cnoeabs.peaks (6.85, 1.29, 26.44 ppm; 4.84 A): 3 out of 4 assignments used, quality = 0.83: HE1 TYR 41 + HG2 ARG 30 OK 56 99 - 57 - ~8709=12, 8697/2.9=11...(13) HE2 TYR 41 + HG2 ARG 30 OK 52 100 - 52 - 8697/2.9=11, ~8709=11...(11) HE21 GLN 72 + HG2 ARG 30 OK 17 100 - 16 - 8697/2.9=4, ~9565=3...(7) HD1 TRP 92 - HG2 ARG 30 lone 2 61 - 4 - ~9971=1 Peak 8704 from cnoeabs.peaks (6.84, 1.53, 26.44 ppm; 5.20 A): 4 out of 15 assignments used, quality = 0.94: HD1 TYR 41 + HG3 ARG 30 OK 67 96 - 70 - 8709/3.0=21, ~8703=13...(15) HD2 TYR 41 + HG3 ARG 30 OK 58 90 - 64 - 8709/3.0=19, ~8703=12...(14) HE2 TYR 41 + HG3 ARG 30 OK 37 70 - 54 - ~8709=12, 8697/2.9=10...(9) HE1 TYR 41 + HG3 ARG 30 OK 36 61 - 58 - ~8709=14, 8703/1.8=11...(10) HE21 GLN 72 - HG3 ARG 30 OK 15 73 - 20 - 8697/2.9=4, ~9565=4...(7) HD1 TYR 41 - HG2 ARG 79 poor 6 59 - 10 - 8709/1361=2, 8700/1334=1 HD1 TYR 41 - HG3 ARG 79 poor 6 55 - 10 - 8709/1361=2, 8700/1334=1 HD2 TYR 41 - HG2 ARG 79 lone 5 53 - 9 - 8709/1361=2 HD2 TYR 41 - HG3 ARG 79 lone 4 50 - 9 - 8709/1361=2 HE2 TYR 41 - HG2 ARG 79 lone 3 39 - 7 - HE2 TYR 41 - HG3 ARG 79 lone 3 36 - 7 - HE1 TYR 41 - HG2 ARG 79 lone 2 33 - 7 - HE1 TYR 41 - HG3 ARG 79 lone 2 31 - 7 - HE21 GLN 72 - HG2 ARG 79 lone 2 41 - 4 - HE21 GLN 72 - HG3 ARG 79 lone 1 38 - 4 - Peak 8705 from cnoeabs.peaks (7.02, 1.53, 26.44 ppm; 5.16 A): 4 out of 6 assignments used, quality = 0.52: HD2 PHE 96 + HG2 ARG 79 OK 18 53 - 33 - ~10912=6, 9700/3.0=5...(12) HD1 PHE 96 + HG2 ARG 79 OK 17 51 - 33 - ~10912=6, 9700/3.0=5...(12) HD2 PHE 96 + HG3 ARG 79 OK 16 50 - 33 - ~10912=6, 9700/3.0=5...(12) HD1 PHE 96 + HG3 ARG 79 OK 16 48 - 33 - ~10912=6, 9700/3.0=5...(12) HD2 PHE 96 - HG3 ARG 30 poor 10 90 - 10 - 14561/3.0=1, 14668=1 HD1 PHE 96 - HG3 ARG 30 poor 9 87 - 10 - 14561/3.0=1, 14668=1 Peak 8707 from cnoeabs.peaks (6.15, 2.67, 42.61 ppm; 5.30 A): 1 out of 1 assignment used, quality = 0.52: HZ PHE 45 + HD2 ARG 30 OK 52 96 - 54 - 8701/3.0=31, 14690=18...(7) Peak 8708 from cnoeabs.peaks (6.47, 2.67, 42.61 ppm; 5.99 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8709 from cnoeabs.peaks (6.83, 2.67, 42.61 ppm; 4.43 A): 2 out of 2 assignments used, quality = 0.75: HD1 TYR 41 + HD2 ARG 30 OK 53 100 - 53 - 8710/1.8=9, 8700/3.6=8...(15) HD2 TYR 41 + HD2 ARG 30 OK 47 98 - 48 - ~8703=7, 8710/1.8=7...(14) Peak 8710 from cnoeabs.peaks (6.84, 3.08, 42.61 ppm; 4.38 A): 5 out of 5 assignments used, quality = 0.90: HD1 TYR 41 + HD3 ARG 30 OK 47 84 - 56 - 8709/1.8=17, 8700/3.6=8...(13) HE2 TYR 41 + HD3 ARG 30 OK 43 87 - 50 - ~8709=11, 8703/3.0=9...(11) HE1 TYR 41 + HD3 ARG 30 OK 41 81 - 51 - ~8709=13, 8703/3.0=10...(11) HD2 TYR 41 + HD3 ARG 30 OK 37 73 - 50 - 8709/1.8=15, ~8703=7...(12) HE21 GLN 72 + HD3 ARG 30 OK 11 90 - 12 - 8697/3.6=3, 8703/3.0=3...(5) Peak 8716 from cnoeabs.peaks (0.81, 1.60, 32.55 ppm; 5.08 A): 8 out of 11 assignments used, quality = 0.87: QD1 LEU 70 + HB2 ARG 30 OK 36 100 - 36 - 3.1/1323=6, ~8719=6...(10) QD2 LEU 70 + HB2 ARG 30 OK 34 99 - 34 - 3.1/1323=6, 3168/1.8=5...(10) QG2 ILE 7 + HB2 ARG 30 OK 27 81 - 34 - 8736/4.7=9, 8256/8696=7...(12) QD2 LEU 2 + HB2 ARG 30 OK 23 99 - 23 - 5.0/10509=5, 8736/4.7=5...(5) QD1 ILE 76 + HB2 ARG 30 OK 16 87 - 18 - ~10883=3, 8736/4.7=3...(5) QD2 LEU 103 + HB2 ARG 30 OK 13 81 - 15 - 3.1/1325=2, ~4493=1...(6) QG2 VAL 32 + HB2 ARG 30 OK 13 61 - 20 - 10154/8696=4, 4.0/1328=4...(5) QG2 ILE 15 + HB2 ARG 30 OK 12 100 - 12 - 8736/4.7=5, 8719/1.8=1 QD1 LEU 57 - HB2 ARG 30 lone 7 77 - 9 - 10230/8696=2, ~8719=2 QD2 LEU 38 - HB2 ARG 30 lone 5 92 - 5 - ~10511=1 QD2 LEU 57 - HB2 ARG 30 lone 5 70 - 7 - 8719/1.8=2, 8736/4.7=1 Peak 8717 from cnoeabs.peaks (0.69, 1.60, 32.55 ppm; 3.97 A): 6 out of 8 assignments used, quality = 0.91: QD2 LEU 6 + HB2 ARG 30 OK 67 99 - 68 - 8718/1.8=17...(16) QD1 LEU 42 + HB2 ARG 30 OK 49 100 - 49 - 8718/1.8=11, 1938/2.9=8...(14) QD1 LEU 14 + HB2 ARG 30 OK 23 84 - 27 - 8718/1.8=7, 8723/3.6=3...(10) QD2 LEU 14 + HB2 ARG 30 OK 12 65 - 19 - ~8718=4, ~8720=3...(8) QD1 ILE 8 + HB2 ARG 30 OK 12 61 - 20 - 2.1/1323=4, ~8719=2...(9) QD1 ILE 52 + HB2 ARG 30 OK 12 99 - 12 - 8718/1.8=3, 8722/3.6=2...(4) QG2 VAL 58 - HB2 ARG 30 poor 9 77 - 11 - 8718/1.8=3, 8737/4.7=2 QD1 ILE 56 - HB2 ARG 30 poor 7 70 - 10 - 2.1/1325=2, ~1334=1, ~10677=1 Peak 8718 from cnoeabs.peaks (0.69, 1.37, 32.55 ppm; 3.63 A): 5 out of 5 assignments used, quality = 0.87: QD2 LEU 6 + HB3 ARG 30 OK 63 100 - 63 - 10232/4.0=14...(19) QD1 LEU 42 + HB3 ARG 30 OK 43 100 - 43 - 8717/1.8=8, 1938/2.9=7...(14) QD1 LEU 14 + HB3 ARG 30 OK 24 96 - 25 - 8720/2.9=4, 8717/1.8=4...(8) QG2 VAL 58 + HB3 ARG 30 OK 10 92 - 11 - 8737/4.7=2, 4.0/9371=2...(5) QD1 ILE 52 + HB3 ARG 30 OK 10 94 - 11 - 8717/1.8=2, 8722/3.6=1...(4) Peak 8719 from cnoeabs.peaks (0.80, 1.37, 32.55 ppm; 4.92 A): 7 out of 9 assignments used, quality = 0.88: QG2 ILE 7 + HB3 ARG 30 OK 38 100 - 38 - 8256/8699=11, 8736/4.7=8...(13) QD2 LEU 70 + HB3 ARG 30 OK 37 92 - 40 - ~8716=5, 2.1/3160=5...(13) QG2 ILE 8 + HB3 ARG 30 OK 30 90 - 33 - 4.1/6105=6, 2.1/293=4...(12) QD1 LEU 70 + HB3 ARG 30 OK 25 65 - 38 - 2.1/3168=5, ~8716=5...(13) QD1 ILE 76 + HB3 ARG 30 OK 19 100 - 19 - 10888/4.7=3, ~10883=3...(5) QD2 LEU 2 + HB3 ARG 30 OK 16 90 - 18 - 8736/4.7=4, 8716/1.8=3...(4) QD2 LEU 57 + HB3 ARG 30 OK 16 100 - 16 - 4.6/10693=7...(4) QG2 ILE 15 - HB3 ARG 30 poor 9 87 - 11 - 8736/4.7=5, 8716/1.8=1 QG2 ILE 52 - HB3 ARG 30 poor 7 61 - 11 - 3.1/8718=3, ~8717=2, ~8720=1 Peak 8720 from cnoeabs.peaks (0.68, 1.29, 26.44 ppm; 4.34 A): 4 out of 5 assignments used, quality = 0.88: QD2 LEU 6 + HG2 ARG 30 OK 60 90 - 68 - 8718/2.9=13...(19) QD1 LEU 42 + HG2 ARG 30 OK 50 84 - 59 - 8718/2.9=9, 2.1/1946=8...(17) QD1 LEU 14 + HG2 ARG 30 OK 33 100 - 33 - 8723/3.0=5, 8718/2.9=5...(14) QG2 VAL 58 + HG2 ARG 30 OK 11 100 - 10 - 8718/2.9=2, 8723/3.0=2 QD1 ILE 52 - HG2 ARG 30 poor 9 61 - 15 - 8718/2.9=2, 8723/3.0=2...(6) Peak 8721 from cnoeabs.peaks (0.77, 1.29, 26.44 ppm; 5.19 A): 3 out of 9 assignments used, quality = 0.96: QD1 LEU 6 + HG2 ARG 30 OK 76 99 - 77 - 2.1/8720=17, ~8718=13...(20) QD2 LEU 42 + HG2 ARG 30 OK 71 100 - 71 - 2.1/8720=14, 2.1/1930=9...(18) QD1 LEU 27 + HG2 ARG 30 OK 48 100 - 48 - 10138/3.0=10, ~10139=6...(18) QG1 VAL 54 - HG2 ARG 30 OK 39 99 - 40 - 9229/8701=11, 10653=7...(7) QD1 ILE 93 - HG2 ARG 30 OK 19 100 - 19 - 10997/3.0=4, ~10999=2...(4) QG2 ILE 52 - HG2 ARG 30 OK 17 87 - 20 - 3.1/8720=2, ~8718=2...(6) QD1 ILE 15 - HG2 ARG 30 OK 15 97 - 16 - 8713/4.9=3, 8436/4.0=2...(4) QG2 ILE 93 - HG2 ARG 30 poor 10 73 - 13 - ~10997=3, ~10999=2, 8713/4.9=1 HG13 ILE 15 - HG2 ARG 30 poor 10 87 - 11 - 8713/4.9=2, ~8716=1 Peak 8722 from cnoeabs.peaks (0.69, 2.67, 42.61 ppm; 4.52 A): 5 out of 8 assignments used, quality = 0.93: QD2 LEU 6 + HD2 ARG 30 OK 68 99 - 69 - 8718/3.6=14...(19) QD1 LEU 42 + HD2 ARG 30 OK 56 100 - 56 - 8718/3.6=10, 1938/3.0=9...(14) QD1 LEU 14 + HD2 ARG 30 OK 27 84 - 32 - 8723/1.8=6, 8718/3.6=6...(11) QD2 LEU 14 + HD2 ARG 30 OK 16 65 - 24 - ~8723=5, ~8720=4...(10) QD1 ILE 52 + HD2 ARG 30 OK 15 99 - 15 - 4.8/6856=3, 8718/3.6=2...(6) QD1 ILE 8 - HD2 ARG 30 poor 10 61 - 16 - 2.1/1359=4, ~1368=3...(5) QG2 VAL 58 - HD2 ARG 30 lone 8 77 - 10 - 8718/3.6=2, 8723/1.8=2...(4) QD1 ILE 56 - HD2 ARG 30 poor 7 70 - 10 - 2.1/1361=1, 8717/3.6=1, ~1370=1 Peak 8723 from cnoeabs.peaks (0.68, 3.08, 42.61 ppm; 4.91 A): 5 out of 5 assignments used, quality = 0.94: QD2 LEU 6 + HD3 ARG 30 OK 70 98 - 71 - 8718/3.6=16...(19) QD1 LEU 42 + HD3 ARG 30 OK 58 96 - 60 - 8720/3.0=11, 8718/3.6=11...(13) QD1 LEU 14 + HD3 ARG 30 OK 38 100 - 38 - 8720/3.0=8, 8718/3.6=6...(15) QG2 VAL 58 + HD3 ARG 30 OK 12 99 - 12 - 8718/3.6=3, 8720/3.0=2...(4) QD1 ILE 52 + HD3 ARG 30 OK 11 81 - 14 - 8722/1.8=3, 8718/3.6=3...(4) Peak 8724 from cnoeabs.peaks (0.79, 4.24, 69.49 ppm; 3.67 A): 4 out of 8 assignments used, quality = 0.89: QG2 ILE 7 + HB THR 31 OK 74 98 - 75 - 8730/2.1=25, 8264=17...(13) QG2 ILE 15 + HB THR 31 OK 36 70 - 51 - 10123/2.1=13...(10) QG2 ILE 8 + HB THR 31 OK 25 98 - 26 - 8730/2.1=8, 4.1/8337=8...(5) QG2 ILE 52 + HB THR 31 OK 11 81 - 13 - 8730/2.1=3, 2.1/10646=3...(5) QD2 LEU 57 - HB THR 31 lone 8 100 - 8 - 8730/2.1=2, 6080/8252=1 QD1 ILE 76 - HB THR 31 lone 8 96 - 8 - 8730/2.1=2, 10888/3.9=2 QD2 LEU 2 - HB THR 31 poor 8 73 - 10 - 8736/3.9=2, 2.1/8726=2...(5) QD2 LEU 70 - HB THR 31 lone 3 77 - 4 - 8736/3.9=1 Peak 8725 from cnoeabs.peaks (0.64, 4.24, 69.49 ppm; 4.95 A): 3 out of 3 assignments used, quality = 0.77: QD2 LEU 29 + HB THR 31 OK 53 100 - 53 - 8731/2.1=17...(13) QD1 LEU 29 + HB THR 31 OK 42 94 - 45 - ~8731=14, 12049/3.9=10...(10) QG2 VAL 54 + HB THR 31 OK 17 92 - 18 - ~8734=5, 8731/2.1=4...(5) Peak 8726 from cnoeabs.peaks (1.51, 4.24, 69.49 ppm; 4.52 A): 5 out of 14 assignments used, quality = 0.92: HB ILE 7 + HB THR 31 OK 75 90 - 84 - 2.1/8264=25, ~8730=20...(13) HG3 LYS 33 + HB THR 31 OK 43 97 - 44 - 3.9/8729=11, 3.9/8729=11...(8) HG LEU 6 + HB THR 31 OK 20 81 - 24 - ~8221=6, ~8223=6...(8) HG LEU 2 + HB THR 31 OK 18 99 - 18 - 68/3.9=5, 8732/2.1=3...(7) HB2 LEU 14 + HB THR 31 OK 17 90 - 19 - 8732/2.1=4, ~8734=4...(7) HG LEU 57 - HB THR 31 poor 9 92 - 10 - 2.1/8724=2, 2630/8264=2...(5) HG3 ARG 30 - HB THR 31 poor 7 61 - 11 - 6496/3.9=4, 10146/4.7=3 HG3 LYS 13 - HB THR 31 lone 5 81 - 7 - HG3 LYS 24 - HB THR 31 lone 4 100 - 4 - HB3 LEU 103 - HB THR 31 lone 3 87 - 4 - 10146/4.7=1 HG3 LYS 66 - HB THR 31 lone 3 65 - 4 - 2929/4.7=1 HG2 LYS 66 - HB THR 31 lone 2 57 - 4 - 2929/4.7=1 HG2 LYS 47 - HB THR 31 lone 2 57 - 3 - HG2 LYS 73 - HB THR 31 lone 1 61 - 1 - Peak 8727 from cnoeabs.peaks (1.72, 4.24, 69.49 ppm; 5.23 A): 4 out of 14 assignments used, quality = 0.95: HB ILE 15 + HB THR 31 OK 64 81 - 79 - ~10123=25, ~10142=23...(10) HD2 LYS 33 + HB THR 31 OK 58 94 - 62 - 3.0/8729=18, 3.0/8729=18...(8) HD3 LYS 33 + HB THR 31 OK 58 94 - 62 - 3.0/8729=18, 3.0/8729=18...(8) HB2 LEU 2 + HB THR 31 OK 16 81 - 20 - 8733/2.1=4, 3.0/8726=3...(7) HB3 LEU 70 - HB THR 31 lone 7 100 - 7 - 8733/2.1=2, 8316/8337=1 HD3 LYS 66 - HB THR 31 lone 7 81 - 9 - 2951/4.7=3, 8733/2.1=1 HD3 LYS 13 - HB THR 31 lone 5 84 - 6 - 3.0/8726=1 HD2 LYS 13 - HB THR 31 lone 4 77 - 6 - 3.0/8726=1 HD2 ARG 81 - HB THR 31 lone 4 92 - 4 - 8733/2.1=1 HG LEU 70 - HB THR 31 lone 3 70 - 5 - ~8733=1 HD2 LYS 12 - HB THR 31 lone 2 77 - 3 - HD3 LYS 12 - HB THR 31 lone 2 77 - 3 - HD3 LYS 24 - HB THR 31 lone 2 61 - 3 - HD3 LYS 90 - HB THR 31 lone 2 61 - 3 - Peak 8728 from cnoeabs.peaks (1.94, 4.24, 69.49 ppm; 5.16 A): 3 out of 10 assignments used, quality = 0.75: HB VAL 32 + HB THR 31 OK 55 99 - 56 - 3.9/6506=34, ~10165=15...(8) HB2 LYS 33 + HB THR 31 OK 29 65 - 44 - 4.8/8729=13, 4.8/8729=13...(6) HB3 ARG 19 + HB THR 31 OK 21 98 - 22 - ~8734=8, 8517/8725=3...(7) HB2 MET 1 - HB THR 31 lone 8 98 - 8 - 15/3.9=4, 6509/4.7=2 HB3 LYS 20 - HB THR 31 lone 7 100 - 7 - 6509/4.7=2, ~8734=1 HB3 LYS 47 - HB THR 31 lone 5 90 - 5 - 4.7/10189=2 HG3 GLU 88 - HB THR 31 lone 4 96 - 4 - 6509/4.7=2 HB2 LYS 13 - HB THR 31 lone 3 61 - 5 - HB2 GLU 17 - HB THR 31 lone 3 98 - 3 - 6509/4.7=1 HB2 LYS 94 - HB THR 31 lone 3 84 - 4 - 6509/4.7=2 Peak 8729 from cnoeabs.peaks (3.03, 4.24, 69.49 ppm; 5.14 A): 2 out of 2 assignments used, quality = 0.72: HE3 LYS 33 + HB THR 31 OK 47 87 - 54 - 8735/2.1=20, ~8735=16...(7) HE2 LYS 33 + HB THR 31 OK 47 87 - 54 - 8735/2.1=20, ~8735=16...(7) Peak 8730 from cnoeabs.peaks (0.79, 1.14, 22.10 ppm; 2.67 A): 2 out of 8 assignments used, quality = 0.46: QG2 ILE 7 + QG2 THR 31 OK 38 90 - 42 - 8282=13, 8724/2.1=7...(9) QG2 ILE 8 + QG2 THR 31 OK 12 100 - 13 - 4.1/8314=4, 2.1/8734=4 QG2 ILE 52 - QG2 THR 31 lone 5 94 - 5 - ~10646=1, 8724/2.1=1 QD1 LEU 6 - QG2 THR 31 lone 4 70 - 5 - 2.1/8732=2, ~8221=1, ~8223=1 QD2 LEU 57 - QG2 THR 31 lone 3 96 - 3 - QD1 ILE 76 - QG2 THR 31 lone 3 84 - 4 - QD1 LEU 27 - QG2 THR 31 lone 1 61 - 2 - QD1 ILE 93 - QG2 THR 31 lone 0 65 - 0 - Peak 8731 from cnoeabs.peaks (0.64, 1.14, 22.10 ppm; 3.12 A): 3 out of 4 assignments used, quality = 0.59: QD2 LEU 29 + QG2 THR 31 OK 30 99 - 31 - 12050/4.0=6, 8725/2.1=6...(11) QD1 ILE 7 + QG2 THR 31 OK 30 65 - 45 - 3.0/8730=16, 3.2/8732=7...(11) QD1 LEU 29 + QG2 THR 31 OK 17 77 - 22 - ~8725=5, 8725/2.1=4...(7) QG2 VAL 54 - QG2 THR 31 lone 7 73 - 9 - 2.1/8734=3, 8725/2.1=2 Peak 8732 from cnoeabs.peaks (1.52, 1.14, 22.10 ppm; 3.52 A): 6 out of 13 assignments used, quality = 0.87: HB ILE 7 + QG2 THR 31 OK 66 98 - 67 - 2.1/8730=24, 8275=11...(11) HG3 LYS 33 + QG2 THR 31 OK 27 87 - 31 - 3.9/8735=7, 3.9/8735=7...(8) HG12 ILE 56 + QG2 THR 31 OK 18 77 - 23 - ~2586=4, 2578/3.2=4...(8) HB2 LEU 14 + QG2 THR 31 OK 17 98 - 18 - 1.8/8734=4, 8275=3...(7) HG LEU 6 + QG2 THR 31 OK 15 94 - 16 - ~8221=3, ~8223=3...(6) HG LEU 2 + QG2 THR 31 OK 13 100 - 13 - 68/4.0=3, 8726/2.1=2...(4) HG3 ARG 30 - QG2 THR 31 poor 9 81 - 11 - 4.9/8742=4, 6496/4.0=3 HG LEU 57 - QG2 THR 31 lone 5 77 - 7 - 2.1/8730=2, 2630/8730=1 HG3 LYS 13 - QG2 THR 31 lone 3 61 - 4 - HB3 LEU 103 - QG2 THR 31 lone 3 97 - 3 - HG2 ARG 79 - QG2 THR 31 lone 3 65 - 4 - 6496/4.0=2 HG3 LYS 24 - QG2 THR 31 lone 2 96 - 2 - HG3 ARG 79 - QG2 THR 31 lone 2 61 - 4 - 6496/4.0=2 Peak 8733 from cnoeabs.peaks (1.72, 1.14, 22.10 ppm; 3.79 A): 4 out of 14 assignments used, quality = 0.81: HB ILE 15 + QG2 THR 31 OK 49 81 - 61 - 2.1/10123=25...(7) HD3 LYS 33 + QG2 THR 31 OK 35 94 - 37 - 3.0/8735=10, 3.0/8735=10...(7) HD2 LYS 33 + QG2 THR 31 OK 35 94 - 37 - 3.0/8735=10, 3.0/8735=10...(7) HB2 LEU 2 + QG2 THR 31 OK 11 81 - 14 - 3.0/8732=2, 52/4.0=2...(5) HB3 LEU 70 - QG2 THR 31 lone 6 100 - 6 - 3148/10123=1 HD3 LYS 66 - QG2 THR 31 lone 5 81 - 6 - 2951/4.0=2, 6.1/10515=1 HD2 ARG 81 - QG2 THR 31 lone 4 92 - 4 - HD3 LYS 13 - QG2 THR 31 lone 3 84 - 4 - HD2 LYS 13 - QG2 THR 31 lone 3 77 - 4 - HG LEU 70 - QG2 THR 31 lone 2 70 - 3 - HD2 LYS 12 - QG2 THR 31 lone 2 77 - 2 - HD3 LYS 12 - QG2 THR 31 lone 2 77 - 2 - HD3 LYS 90 - QG2 THR 31 lone 1 61 - 2 - HD3 LYS 24 - QG2 THR 31 lone 1 61 - 2 - Peak 8734 from cnoeabs.peaks (1.90, 1.14, 22.10 ppm; 4.34 A): 4 out of 8 assignments used, quality = 0.66: HB ILE 8 + QG2 THR 31 OK 36 100 - 36 - 4.4/10515=12, 2.1/8730=9...(9) HB2 ARG 19 + QG2 THR 31 OK 25 100 - 25 - 3.6/10143=7, 3.6/10143=7...(7) HB VAL 54 + QG2 THR 31 OK 16 92 - 17 - 2.1/8731=4, ~8725=3...(6) HB3 LEU 14 + QG2 THR 31 OK 16 97 - 16 - 1.8/8732=4, ~8726=2...(7) HB2 LYS 20 - QG2 THR 31 lone 4 98 - 4 - ~8728=1 HG LEU 42 - QG2 THR 31 lone 3 100 - 3 - HB3 LYS 13 - QG2 THR 31 lone 3 61 - 5 - HB2 GLU 43 - QG2 THR 31 lone 2 90 - 2 - Peak 8735 from cnoeabs.peaks (3.03, 1.14, 22.10 ppm; 4.85 A): 2 out of 2 assignments used, quality = 0.72: HE3 LYS 33 + QG2 THR 31 OK 47 97 - 48 - 8729/2.1=17, ~8729=13...(7) HE2 LYS 33 + QG2 THR 31 OK 47 97 - 48 - 8729/2.1=17, ~8729=13...(7) Peak 8742 from cnoeabs.peaks (9.11, 1.14, 22.10 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.68: H ARG 30 + QG2 THR 31 OK 45 77 - 59 - 6491/4.0=29, 4.6/8731=17...(9) H VAL 83 + QG2 THR 31 OK 42 100 - 42 - 7347=8, 4.6/3664=8...(10) Peak 8746 from cnoeabs.peaks (1.17, 1.92, 34.35 ppm; 3.37 A): 4 out of 8 assignments used, quality = 0.90: QG2 THR 34 + HB3 LYS 33 OK 65 99 - 66 - 8757=20, 8757/1.8=16...(10) QG2 THR 34 + HB2 LYS 33 OK 65 98 - 66 - 8757=20, 8757/1.8=16...(10) HB2 LEU 6 + HB3 LYS 33 OK 12 92 - 13 - 193/4.1=5, 6542/4.4=3...(4) HB2 LEU 6 + HB2 LYS 33 OK 12 90 - 13 - 193/4.1=5, 6542/4.4=3...(4) HB2 LEU 29 - HB3 LYS 33 lone 4 92 - 4 - 10522/2.8=1, 8745/4.1=1 HB2 LEU 29 - HB2 LYS 33 lone 4 90 - 4 - 10522/2.8=1, 8745/4.1=1 HG2 LYS 40 - HB3 LYS 33 lone 4 87 - 4 - 8745/4.1=2, 10522/2.8=1 HG2 LYS 40 - HB2 LYS 33 lone 4 85 - 4 - 8745/4.1=2, 10522/2.8=1 Peak 8755 from cnoeabs.peaks (1.52, 1.17, 21.62 ppm; 3.77 A): 3 out of 11 assignments used, quality = 0.71: HG3 LYS 33 + QG2 THR 34 OK 44 65 - 68 - 1.8/10522=17...(9) HG LEU 6 + QG2 THR 34 OK 40 100 - 40 - 211=9, 2.1/227=7...(9) HG12 ILE 56 + QG2 THR 34 OK 11 94 - 12 - 3.2/9326=3, 4.9/1526=2...(4) HB ILE 7 - QG2 THR 34 lone 8 100 - 8 - 4.0/6073=3 HB2 LEU 14 - QG2 THR 34 lone 8 100 - 8 - 1.8/8757=1 HG3 ARG 30 - QG2 THR 34 lone 3 96 - 3 - HG2 ARG 79 - QG2 THR 34 lone 3 87 - 3 - HG3 ARG 79 - QG2 THR 34 lone 2 84 - 3 - HB3 LEU 103 - QG2 THR 34 lone 2 100 - 2 - HG3 LYS 24 - QG2 THR 34 lone 2 81 - 3 - HG LEU 2 - QG2 THR 34 lone 2 97 - 2 - Peak 8756 from cnoeabs.peaks (1.73, 1.17, 21.62 ppm; 4.29 A): 2 out of 7 assignments used, quality = 0.88: HD2 LYS 33 + QG2 THR 34 OK 66 100 - 66 - 3.0/10522=17...(8) HD3 LYS 33 + QG2 THR 34 OK 66 100 - 66 - 3.0/10522=17...(8) HB ILE 15 - QG2 THR 34 lone 4 100 - 4 - 6537/4.0=1 HB3 LEU 70 - QG2 THR 34 lone 3 90 - 4 - 6537/4.0=1 HD2 ARG 81 - QG2 THR 34 lone 3 100 - 3 - HB2 GLU 28 - QG2 THR 34 lone 3 73 - 3 - HD2 LYS 90 - QG2 THR 34 lone 1 84 - 1 - Peak 8757 from cnoeabs.peaks (1.92, 1.17, 21.62 ppm; 3.15 A): 2 out of 10 assignments used, quality = 0.82: HB2 LYS 33 + QG2 THR 34 OK 58 100 - 58 - 8746=15, 1.8/8746=12...(10) HB3 LYS 33 + QG2 THR 34 OK 58 99 - 58 - 8746=15, 1.8/8746=12...(10) HB2 GLU 43 - QG2 THR 34 lone 5 81 - 7 - 4.0/8767=3, 3.0/8765=1, ~8774=1 HB3 LEU 14 - QG2 THR 34 lone 3 65 - 5 - 1.8/8755=2 HB2 LYS 94 - QG2 THR 34 lone 3 100 - 3 - ~11008=1 HB2 LYS 13 - QG2 THR 34 lone 2 99 - 2 - HB3 LYS 13 - QG2 THR 34 lone 2 98 - 2 - HB3 LYS 47 - QG2 THR 34 lone 2 99 - 2 - HB3 ARG 19 - QG2 THR 34 lone 1 94 - 1 - HB3 LYS 20 - QG2 THR 34 lone 1 81 - 1 - Peak 8758 from cnoeabs.peaks (2.11, 1.17, 21.62 ppm; 4.39 A): 3 out of 11 assignments used, quality = 0.85: HG3 GLU 37 + QG2 THR 34 OK 57 99 - 57 - 8814/4.0=17, 1.8/8759=14...(9) HB3 GLU 37 + QG2 THR 34 OK 48 87 - 55 - 4.1/8830=16, 8810/4.0=15...(9) HB VAL 83 + QG2 THR 34 OK 35 100 - 35 - ~9800=7, ~9786=6...(8) HB2 LEU 64 - QG2 THR 34 lone 3 100 - 3 - HB2 PRO 86 - QG2 THR 34 lone 3 98 - 3 - HB3 PRO 86 - QG2 THR 34 lone 3 94 - 3 - QE MET 21 - QG2 THR 34 lone 2 77 - 2 - HG3 GLU 104 - QG2 THR 34 lone 1 73 - 2 - HB2 GLU 69 - QG2 THR 34 lone 1 84 - 1 - HB3 GLU 69 - QG2 THR 34 lone 1 84 - 1 - HG2 GLU 69 - QG2 THR 34 lone 1 84 - 1 - Peak 8759 from cnoeabs.peaks (2.26, 1.17, 21.62 ppm; 4.66 A): 4 out of 6 assignments used, quality = 0.86: HG2 GLU 37 + QG2 THR 34 OK 60 100 - 60 - 1.8/8758=16, 5.0/8830=15...(10) HG2 GLU 95 + QG2 THR 34 OK 37 92 - 41 - ~10037=17, 1.8/8760=12...(4) HG3 GLU 62 + QG2 THR 34 OK 24 100 - 24 - 8754/4.0=5, 10036/3.2=4...(8) HG2 GLU 62 + QG2 THR 34 OK 24 100 - 24 - 8754/4.0=5, 10036/3.2=4...(8) HG2 GLU 23 - QG2 THR 34 lone 6 94 - 6 - 10036/3.2=2, 8754/4.0=1 HG2 GLU 17 - QG2 THR 34 lone 1 70 - 1 - Peak 8760 from cnoeabs.peaks (2.52, 1.17, 21.62 ppm; 4.60 A): 4 out of 7 assignments used, quality = 0.79: HG3 GLU 95 + QG2 THR 34 OK 40 100 - 40 - 10037/3.2=22, ~10036=10...(4) HB3 ASP 36 + QG2 THR 34 OK 38 73 - 52 - 3.6/8782=24, 4.0/8830=18...(6) HB2 ASP 36 + QG2 THR 34 OK 36 70 - 52 - 3.6/8782=24, 4.0/8830=18...(6) HG2 MET 74 + QG2 THR 34 OK 11 99 - 11 - 4.8/8766=4, 8777/4.2=4 HG3 GLU 63 - QG2 THR 34 lone 3 97 - 3 - 8777/4.2=1 HG3 GLN 72 - QG2 THR 34 lone 2 77 - 2 - HB2 ASP 61 - QG2 THR 34 lone 2 84 - 2 - Peak 8761 from cnoeabs.peaks (3.03, 1.17, 21.62 ppm; 5.33 A): 2 out of 2 assignments used, quality = 0.90: HE3 LYS 33 + QG2 THR 34 OK 68 94 - 72 - 3.9/10522=21...(7) HE2 LYS 33 + QG2 THR 34 OK 68 94 - 72 - 3.9/10522=21...(7) Peak 8765 from cnoeabs.peaks (3.88, 1.17, 21.62 ppm; 6.21 A): 3 out of 10 assignments used, quality = 0.93: HA GLU 35 + QG2 THR 34 OK 85 92 - 93 - 3.0/1526=42, ~6547=38...(7) HA GLU 43 + QG2 THR 34 OK 38 98 - 39 - 2.9/8767=11, 1527/4.2=10...(7) HA LEU 38 + QG2 THR 34 OK 20 100 - 21 - 6549/4.2=6...(5) HA LYS 40 - QG2 THR 34 OK 16 87 - 18 - 1779/8782=3...(6) HA LYS 94 - QG2 THR 34 OK 13 90 - 14 - 11008/2.1=8, 3.0/8757=1 HA ARG 91 - QG2 THR 34 OK 12 90 - 14 - 1527/4.2=5, 8774/2.1=3...(4) HA2 GLY 100 - QG2 THR 34 lone 4 90 - 4 - HA3 GLY 101 - QG2 THR 34 lone 3 73 - 4 - HA2 GLY 101 - QG2 THR 34 lone 3 90 - 3 - HB2 SER 102 - QG2 THR 34 lone 2 70 - 3 - Peak 8766 from cnoeabs.peaks (7.74, 1.17, 21.62 ppm; 4.85 A): 2 out of 5 assignments used, quality = 0.91: H GLU 37 + QG2 THR 34 OK 88 99 - 89 - 8830=32, 8805/4.0=24...(16) H MET 74 + QG2 THR 34 OK 24 94 - 26 - 10525/2.1=6, 8770/4.0=6...(9) H ASN 60 - QG2 THR 34 lone 9 97 - 9 - 10525/2.1=2, 8770/4.0=2 H VAL 78 - QG2 THR 34 lone 7 70 - 10 - 8770/4.0=2, 10525/2.1=2 H SER 49 - QG2 THR 34 lone 4 87 - 5 - Peak 8767 from cnoeabs.peaks (8.19, 1.17, 21.62 ppm; 4.36 A): 2 out of 3 assignments used, quality = 0.83: H ASP 36 + QG2 THR 34 OK 77 98 - 78 - 8782=35, 10524/2.1=33...(8) H GLU 43 + QG2 THR 34 OK 26 100 - 26 - 10524/2.1=8, 6554/4.2=8...(7) H LYS 68 - QG2 THR 34 lone 9 99 - 9 - 10524/2.1=3, 6554/4.2=2 Peak 8768 from cnoeabs.peaks (9.31, 1.17, 21.62 ppm; 4.44 A): 2 out of 2 assignments used, quality = 0.90: H LYS 33 + QG2 THR 34 OK 78 94 - 83 - 6530/4.0=26...(19) H LEU 6 + QG2 THR 34 OK 56 100 - 56 - 6064=13, 6530/4.0=9...(15) Peak 8774 from cnoeabs.peaks (4.59, 3.89, 59.23 ppm; 5.39 A): 4 out of 15 assignments used, quality = 0.93: HB THR 34 + HA GLU 35 OK 87 100 - 87 - 1521/3.0=43...(7) HB THR 34 + HA GLU 43 OK 31 92 - 33 - 4.4/1527=9, 10524/2.9=9...(7) HB THR 34 + HA ARG 91 OK 12 99 - 12 - 4.4/1527=5, 2.1/8765=2...(4) HA ILE 8 + HA GLU 35 OK 11 65 - 17 - 8794/3.6=8, 6547/3.0=3 HA ILE 8 - HA GLU 43 poor 10 55 - 18 - ~10608=4, ~6689=2...(9) HA ASP 11 - HA GLU 35 lone 8 100 - 7 - 8794/3.6=3, 6547/3.0=2 HA ASP 11 - HA GLU 43 lone 4 91 - 5 - HA THR 84 - HA ARG 91 lone 4 79 - 6 - 9786/9825=2, 3.6/7373=1 HA THR 84 - HA GLU 35 lone 3 81 - 4 - HA HIS 105 - HA GLU 35 lone 3 100 - 3 - HA ILE 8 - HA ARG 91 lone 3 64 - 5 - HA HIS 105 - HA ARG 91 lone 3 99 - 3 - HA ASP 11 - HA ARG 91 lone 2 99 - 2 - HA THR 84 - HA GLU 43 lone 2 69 - 3 - HA HIS 105 - HA GLU 43 lone 2 92 - 2 - Peak 8783 from cnoeabs.peaks (1.66, 4.29, 56.96 ppm; 3.52 A): 5 out of 15 assignments used, quality = 0.92: HD2 LYS 39 + HA ASP 36 OK 68 97 - 70 - 1.8/10563=23...(15) HD2 LYS 68 + HA ASP 36 OK 38 94 - 41 - 10266=8, 1.8/10266=8...(20) HD3 LYS 68 + HA ASP 36 OK 37 92 - 41 - 10266=8, 1.8/10266=8...(18) HG2 LYS 68 + HA ASP 36 OK 21 61 - 35 - 3.0/10266=6, 3.0/10266=6...(13) HB2 LYS 40 + HA ASP 36 OK 18 77 - 23 - 4.1/10540=14, ~1779=3...(4) HG3 LYS 20 - HA ASP 36 lone 5 84 - 6 - HB3 LEU 6 - HA ASP 36 lone 4 84 - 5 - ~8782=2 HD3 LYS 20 - HA ASP 36 lone 4 84 - 5 - HD3 LYS 73 - HA ASP 36 lone 4 99 - 4 - 3303/3.6=1 HD2 LYS 73 - HA ASP 36 lone 4 98 - 4 - 3303/3.6=1 HB ILE 52 - HA ASP 36 lone 4 94 - 4 - HD2 LYS 20 - HA ASP 36 lone 4 73 - 5 - HB ILE 76 - HA ASP 36 lone 3 70 - 4 - HB3 ARG 79 - HA ASP 36 lone 2 97 - 2 - HD2 LYS 47 - HA ASP 36 lone 1 61 - 2 - Peak 8788 from cnoeabs.peaks (2.87, 4.29, 56.96 ppm; 4.35 A): 2 out of 4 assignments used, quality = 0.96: HE2 LYS 39 + HA ASP 36 OK 79 100 - 79 - 3.0/10563=26, 10564=21...(13) HE3 LYS 39 + HA ASP 36 OK 79 99 - 79 - 3.0/10563=26...(13) HB2 ASN 60 - HA ASP 36 lone 6 61 - 10 - ~9424=3, 4.0/1566=2...(5) HE3 LYS 82 - HA ASP 36 lone 3 65 - 5 - Peak 8789 from cnoeabs.peaks (2.10, 2.50, 40.21 ppm; 3.70 A): 8 out of 45 assignments used, quality = 0.89: HB2 LEU 64 + HB2 ASP 61 OK 48 82 - 58 - 9449/3.0=16, ~9452=8...(16) HG3 GLU 37 + HB3 ASP 36 OK 31 99 - 31 - 1608/4.0=12, 10535/3.0=7...(7) HG3 GLU 37 + HB2 ASP 36 OK 31 99 - 31 - 1608/4.0=12, 10535/3.0=7...(7) HB3 PRO 86 + HB3 ASP 87 OK 20 70 - 29 - 7378/4.0=9, 10967/3.0=9...(7) HB3 PRO 86 + HB2 ASP 87 OK 20 70 - 29 - 7378/4.0=9, 10967/3.0=9...(7) HB3 GLU 62 + HB2 ASP 61 OK 16 55 - 29 - 7007/4.4=9, ~10743=6...(6) HB2 PRO 86 + HB2 ASP 87 OK 12 49 - 25 - 3.9/7384=9, 10967/3.0=8...(6) HB2 PRO 86 + HB3 ASP 87 OK 12 49 - 25 - 3.9/7384=9, 10967/3.0=8...(6) QE MET 21 - HB3 ASP 87 poor 9 64 - 14 - 8538/4.6=5, 10967/3.0=3...(5) QE MET 21 - HB2 ASP 87 poor 9 64 - 14 - 8538/4.6=5, 10967/3.0=3...(5) HB2 LEU 64 - HB3 ASP 36 lone 9 97 - 9 - 10535/3.0=2, 4.6/10768=1...(5) HB2 LEU 64 - HB2 ASP 36 lone 8 97 - 9 - 10535/3.0=2, 4.6/10768=1...(4) HB3 PRO 86 - HB2 ASP 36 lone 8 100 - 7 - 10535/3.0=2, 6575/4.0=1 HB3 PRO 86 - HB3 ASP 36 lone 7 100 - 7 - 10535/3.0=2, 6575/4.0=1 HB2 GLU 23 - HB2 ASP 87 poor 7 36 - 20 - ~1033=2, 1026/4.6=2...(9) HB2 GLU 23 - HB3 ASP 87 poor 7 36 - 20 - ~1033=2, 1026/4.6=2...(9) HB2 PRO 86 - HB2 ASP 36 lone 5 81 - 6 - 10535/3.0=1, ~10535=1 HB2 PRO 86 - HB3 ASP 36 lone 5 80 - 6 - 10535/3.0=1, ~10535=1 HG3 GLU 104 - HB2 ASP 36 lone 5 96 - 5 - 10535/3.0=2 HG3 GLU 104 - HB3 ASP 36 lone 5 95 - 5 - 10535/3.0=2 HB3 GLU 62 - HB2 ASP 36 lone 5 70 - 7 - 4.0/7003=2, 4.6/8798=1 HB3 GLU 62 - HB3 ASP 36 lone 5 69 - 7 - 4.0/7003=2, 4.6/8798=1 HB3 PRO 86 - HB2 ASP 61 lone 4 88 - 5 - 9449/3.0=1 HG3 GLU 104 - HB2 ASP 61 lone 4 80 - 6 - 7007/4.4=2 HG3 GLU 37 - HB2 ASP 87 lone 4 68 - 6 - 3.9/8833=1, ~10965=1 HG3 GLU 37 - HB3 ASP 87 lone 4 68 - 6 - 3.9/8833=1, ~10965=1 HB VAL 83 - HB2 ASP 36 lone 4 97 - 4 - 10535/3.0=1 HB VAL 83 - HB3 ASP 36 lone 4 97 - 4 - 10535/3.0=1 HG3 GLU 37 - HB2 ASP 61 lone 3 86 - 4 - HB VAL 83 - HB2 ASP 61 lone 3 82 - 4 - 9449/3.0=2 HB VAL 83 - HB2 ASP 87 lone 3 64 - 5 - 7378/4.0=1, 10967/3.0=1 HB VAL 83 - HB3 ASP 87 lone 3 64 - 5 - 7378/4.0=1, 10967/3.0=1 QE MET 21 - HB2 ASP 36 lone 3 97 - 3 - QE MET 21 - HB3 ASP 36 lone 3 97 - 3 - HB2 GLU 23 - HB2 ASP 36 lone 3 61 - 4 - HB2 GLU 23 - HB2 ASP 61 lone 3 48 - 6 - 7007/4.4=2, 9450/1.8=1 HG3 GLU 104 - HB2 ASP 87 lone 3 62 - 4 - HG3 GLU 104 - HB3 ASP 87 lone 3 62 - 4 - HB2 GLU 23 - HB3 ASP 36 lone 3 61 - 4 - HB2 PRO 86 - HB2 ASP 61 lone 3 65 - 4 - 9449/3.0=1 QE MET 21 - HB2 ASP 61 lone 3 82 - 3 - HB2 LEU 64 - HB2 ASP 87 lone 2 64 - 2 - HB2 LEU 64 - HB3 ASP 87 lone 2 64 - 2 - HB3 GLU 62 - HB3 ASP 87 lone 1 41 - 2 - HB3 GLU 62 - HB2 ASP 87 lone 1 41 - 2 - Peak 8790 from cnoeabs.peaks (1.81, 2.50, 40.21 ppm; 4.51 A): 4 out of 40 assignments used, quality = 0.94: HB2 LYS 39 + HB2 ASP 36 OK 54 90 - 61 - 10560/3.0=26, ~10565=13...(11) HB2 LYS 39 + HB3 ASP 36 OK 54 89 - 61 - 10560/3.0=26, ~10565=13...(11) HB2 LYS 90 + HB2 ASP 87 OK 46 69 - 67 - ~9953=19, 9908/3.0=18...(10) HB2 LYS 90 + HB3 ASP 87 OK 46 69 - 67 - ~9953=19, 9908/3.0=18...(10) HB2 GLU 88 - HB2 ASP 87 OK 24 70 - 35 - 9908/3.0=9, 7393/4.6=8...(6) HB2 GLU 88 - HB3 ASP 87 OK 24 70 - 35 - 9908/3.0=9, 7393/4.6=8...(6) HB2 LEU 42 - HB3 ASP 36 OK 20 100 - 21 - 10537/3.0=8, 1917/3.6=7...(5) HB2 LEU 42 - HB2 ASP 36 OK 20 100 - 20 - 10537/3.0=8, 1917/3.6=7...(5) HB2 GLU 88 - HB2 ASP 36 OK 10 100 - 10 - 8779/3.6=3, 10537/3.0=2 HB2 GLU 88 - HB3 ASP 36 OK 10 100 - 10 - 8779/3.6=3, 10537/3.0=2 HB2 LEU 42 - HB2 ASP 87 poor 9 69 - 13 - 9908/3.0=3, ~9911=3...(4) HB2 LEU 42 - HB3 ASP 87 poor 9 69 - 13 - 9908/3.0=3, ~9911=3...(4) HB2 GLU 104 - HB3 ASP 36 lone 9 100 - 8 - 10537/3.0=2, 8779/3.6=2 HB2 GLU 104 - HB2 ASP 36 lone 9 100 - 8 - 10537/3.0=2, 8779/3.6=2 HB2 GLU 104 - HB2 ASP 87 poor 7 70 - 10 - 3872/4.6=3, 9908/3.0=2 HB2 GLU 104 - HB3 ASP 87 poor 7 70 - 10 - 3872/4.6=3, 9908/3.0=2 HB2 LYS 90 - HB2 ASP 36 lone 7 100 - 7 - 8779/3.6=1, 10537/3.0=1 HB2 LYS 90 - HB3 ASP 36 lone 7 100 - 7 - 8779/3.6=1, 10537/3.0=1 HB2 GLU 104 - HB2 ASP 61 lone 7 88 - 8 - 10738/4.4=4, ~9450=1 HB ILE 93 - HB2 ASP 87 lone 6 66 - 10 - 9908/3.0=3, 7393/4.6=2 HB ILE 93 - HB3 ASP 87 lone 6 66 - 10 - 9908/3.0=3, 7393/4.6=2 HB ILE 93 - HB3 ASP 36 lone 5 98 - 5 - 10537/3.0=1, 8779/3.6=1 HB ILE 93 - HB2 ASP 36 lone 5 98 - 5 - 10537/3.0=1, 8779/3.6=1 HB2 LEU 42 - HB2 ASP 61 lone 4 87 - 5 - ~9448=2, 10738/4.4=1 HB2 GLU 88 - HB2 ASP 61 lone 4 88 - 4 - 10738/4.4=1 HB2 LYS 39 - HB2 ASP 61 lone 3 73 - 4 - HG2 ARG 46 - HB2 ASP 87 lone 3 44 - 7 - 9908/3.0=2, 9901/4.0=1 HG2 ARG 46 - HB3 ASP 87 lone 3 44 - 7 - 9908/3.0=2, 9901/4.0=1 HB2 LYS 90 - HB2 ASP 61 lone 3 87 - 3 - 4.1/9945=1 HG2 ARG 46 - HB3 ASP 36 lone 3 73 - 4 - HG2 ARG 46 - HB2 ASP 36 lone 3 73 - 4 - HB2 LYS 39 - HB3 ASP 87 lone 2 56 - 4 - HB2 LYS 39 - HB2 ASP 87 lone 2 56 - 4 - HB3 LEU 57 - HB2 ASP 87 lone 2 46 - 5 - 9908/3.0=1, 9901/4.0=1 HB3 LEU 57 - HB3 ASP 87 lone 2 46 - 5 - 9908/3.0=1, 9901/4.0=1 HB ILE 93 - HB2 ASP 61 lone 2 84 - 2 - HB3 LEU 57 - HB2 ASP 61 lone 1 61 - 2 - HB3 LEU 57 - HB2 ASP 36 lone 1 77 - 1 - HB3 LEU 57 - HB3 ASP 36 lone 1 77 - 1 - HG2 ARG 46 - HB2 ASP 61 lone 1 58 - 1 - Peak 8791 from cnoeabs.peaks (1.66, 2.50, 40.21 ppm; 5.02 A): 3 out of 75 assignments used, quality = 0.96: HD2 LYS 39 + HB2 ASP 36 OK 76 97 - 78 - ~10563=23, ~10565=17...(15) HD2 LYS 39 + HB3 ASP 36 OK 76 97 - 78 - ~10563=23, ~10565=17...(15) HD2 LYS 68 + HB2 ASP 36 OK 38 94 - 40 - 10266/3.0=10, ~10266=8...(12) HD2 LYS 68 - HB3 ASP 36 OK 38 94 - 40 - 10266/3.0=10, ~10266=8...(12) HD3 LYS 68 - HB2 ASP 36 OK 37 92 - 40 - 10266/3.0=10, ~10266=8...(12) HD3 LYS 68 - HB3 ASP 36 OK 37 91 - 40 - 10266/3.0=10, ~10266=8...(12) HG2 LYS 68 - HB2 ASP 36 OK 20 61 - 33 - ~10266=6, ~10562=6...(10) HG2 LYS 68 - HB3 ASP 36 OK 20 61 - 33 - ~10266=6, ~10562=6...(10) HB2 LYS 40 - HB2 ASP 36 OK 11 77 - 14 - 8783/3.0=4, 1585/8833=2...(7) HB2 LYS 40 - HB3 ASP 36 OK 11 77 - 14 - 8783/3.0=4, 1585/8833=2...(7) HB3 ARG 79 - HB2 ASP 61 lone 8 82 - 10 - 3522/4.4=6, 4.6/2718=2 HD3 LYS 73 - HB2 ASP 36 lone 7 99 - 7 - 3303/4.0=3 HD3 LYS 73 - HB3 ASP 36 lone 7 99 - 7 - 3303/4.0=3 HD2 LYS 73 - HB2 ASP 36 lone 7 98 - 7 - 3303/4.0=3 HD2 LYS 73 - HB3 ASP 36 lone 7 98 - 7 - 3303/4.0=3 HB3 LEU 6 - HB2 ASP 36 lone 7 84 - 8 - 1.8/8793=2, ~8793=2 HB3 LEU 6 - HB3 ASP 36 lone 7 83 - 8 - 1.8/8793=2, ~8793=2 HG3 LYS 20 - HB2 ASP 36 lone 6 84 - 7 - 8780/3.6=1, 8828/4.0=1 HG3 LYS 20 - HB3 ASP 36 lone 6 83 - 7 - 8780/3.6=1, 8828/4.0=1 HB3 ARG 79 - HB2 ASP 36 lone 6 97 - 6 - 9699/8800=2, 8780/3.6=1 HB3 ARG 79 - HB3 ASP 36 lone 6 97 - 6 - 9699/8800=2, 8780/3.6=1 HD3 LYS 20 - HB2 ASP 36 lone 6 84 - 7 - 8780/3.6=1, 8828/4.0=1 HD3 LYS 20 - HB3 ASP 36 lone 6 83 - 7 - 8780/3.6=1, 8828/4.0=1 HB ILE 52 - HB2 ASP 36 lone 5 94 - 6 - HB ILE 52 - HB3 ASP 36 lone 5 94 - 6 - HD2 LYS 20 - HB2 ASP 36 lone 5 73 - 7 - 8780/3.6=1, 8828/4.0=1 HD2 LYS 20 - HB3 ASP 36 lone 5 73 - 7 - 8780/3.6=1, 8828/4.0=1 HB ILE 76 - HB2 ASP 36 lone 5 70 - 7 - 4.0/8796=2 HB ILE 76 - HB3 ASP 36 lone 5 69 - 7 - 4.0/8796=2 HD2 LYS 68 - HB3 ASP 87 lone 4 61 - 7 - ~9953=3, 5.3/8513=1 HD2 LYS 68 - HB2 ASP 87 lone 4 61 - 7 - ~9953=3, 5.3/8513=1 HB ILE 52 - HB2 ASP 61 lone 4 78 - 5 - ~9448=2 HD3 LYS 68 - HB2 ASP 87 lone 4 59 - 7 - ~9953=3, 5.3/8513=1 HD3 LYS 68 - HB3 ASP 87 lone 4 59 - 7 - ~9953=3, 5.3/8513=1 HD2 LYS 39 - HB2 ASP 61 lone 4 82 - 5 - ~9446=1 HB2 LYS 40 - HB2 ASP 61 lone 4 61 - 6 - HD2 LYS 68 - HB2 ASP 61 lone 3 78 - 4 - HD3 LYS 20 - HB3 ASP 87 lone 3 52 - 5 - ~10313=2 HD3 LYS 20 - HB2 ASP 87 lone 3 52 - 5 - ~10313=2 HD3 LYS 68 - HB2 ASP 61 lone 3 76 - 4 - HB3 LEU 6 - HB2 ASP 61 lone 3 68 - 4 - ~9448=2 HG2 LYS 68 - HB3 ASP 87 lone 2 36 - 7 - ~9953=4, 4.0/8513=1 HG2 LYS 68 - HB2 ASP 87 lone 2 36 - 7 - ~9953=4, 4.0/8513=1 HD2 LYS 47 - HB2 ASP 87 lone 2 36 - 7 - ~10313=3, 10313/3.0=1 HD2 LYS 47 - HB3 ASP 87 lone 2 36 - 7 - ~10313=3, 10313/3.0=1 HD2 LYS 20 - HB3 ASP 87 lone 2 44 - 5 - ~10313=1 HD2 LYS 20 - HB2 ASP 87 lone 2 44 - 5 - ~10313=1 HD2 LYS 47 - HB2 ASP 36 lone 2 61 - 4 - HD2 LYS 47 - HB3 ASP 36 lone 2 61 - 4 - HG3 LYS 20 - HB2 ASP 87 lone 2 52 - 4 - ~10313=1 HG3 LYS 20 - HB3 ASP 87 lone 2 52 - 4 - ~10313=1 HG2 LYS 68 - HB2 ASP 61 lone 2 48 - 4 - HB ILE 76 - HB3 ASP 87 lone 2 41 - 4 - 3417/4.6=2 HB ILE 76 - HB2 ASP 87 lone 2 41 - 4 - 3417/4.6=2 HD2 LYS 39 - HB3 ASP 87 lone 2 64 - 3 - HD2 LYS 39 - HB2 ASP 87 lone 2 64 - 3 - HB ILE 52 - HB3 ASP 87 lone 1 61 - 2 - HB ILE 52 - HB2 ASP 87 lone 1 61 - 2 - HD3 LYS 73 - HB2 ASP 87 lone 1 68 - 2 - HD3 LYS 73 - HB3 ASP 87 lone 1 68 - 2 - HD3 LYS 73 - HB2 ASP 61 lone 1 86 - 1 - HD2 LYS 73 - HB2 ASP 87 lone 1 66 - 2 - HD2 LYS 73 - HB3 ASP 87 lone 1 66 - 2 - HG3 LYS 20 - HB2 ASP 61 lone 1 68 - 2 - HD2 LYS 73 - HB2 ASP 61 lone 1 84 - 1 - HB2 LYS 40 - HB2 ASP 87 lone 1 46 - 3 - HB2 LYS 40 - HB3 ASP 87 lone 1 46 - 3 - HD3 LYS 20 - HB2 ASP 61 lone 1 68 - 2 - HB3 ARG 79 - HB2 ASP 87 lone 1 64 - 2 - HB3 ARG 79 - HB3 ASP 87 lone 1 64 - 2 - HB ILE 76 - HB2 ASP 61 lone 1 55 - 2 - HD2 LYS 20 - HB2 ASP 61 lone 1 58 - 2 - HB3 LEU 6 - HB3 ASP 87 lone 1 52 - 2 - HB3 LEU 6 - HB2 ASP 87 lone 1 52 - 2 - HD2 LYS 47 - HB2 ASP 61 lone 1 48 - 2 - Peak 8792 from cnoeabs.peaks (1.46, 2.50, 40.21 ppm; 4.84 A): 7 out of 70 assignments used, quality = 0.92: HD2 LYS 82 + HB2 ASP 61 OK 44 87 - 51 - ~3711=10, ~9767=8...(10) HG LEU 64 + HB2 ASP 61 OK 40 51 - 79 - ~9452=18, ~9447=16...(16) HG3 ARG 91 + HB2 ASP 87 OK 29 59 - 50 - ~10313=10, 4061/4.0=7...(17) HG3 ARG 91 + HB3 ASP 87 OK 29 59 - 50 - ~10313=10, 4061/4.0=7...(17) HB2 LEU 38 + HB3 ASP 36 OK 25 97 - 26 - 8781/3.6=6, 8829/4.0=5...(7) HB2 LEU 38 + HB2 ASP 36 OK 25 97 - 26 - 8781/3.6=6, 8829/4.0=5...(6) HG LEU 38 + HB3 ASP 36 OK 21 100 - 21 - 8781/3.6=5, 8829/4.0=5...(5) HG LEU 38 - HB2 ASP 36 OK 21 100 - 21 - 8781/3.6=5, 8829/4.0=5...(5) HD3 LYS 40 - HB2 ASP 36 OK 19 100 - 19 - 8829/4.0=6, 8781/3.6=3...(8) HD2 LYS 40 - HB2 ASP 36 OK 19 100 - 19 - 8829/4.0=6, 8781/3.6=3...(8) HD3 LYS 40 - HB3 ASP 36 OK 19 100 - 19 - 8829/4.0=6, 8781/3.6=3...(8) HD2 LYS 40 - HB3 ASP 36 OK 19 100 - 19 - 8829/4.0=6, 8781/3.6=3...(8) HG LEU 38 - HB2 ASP 61 OK 11 87 - 12 - ~9452=4, ~9447=3...(4) HG3 ARG 91 - HB2 ASP 36 OK 10 92 - 11 - 8781/3.6=2, 8829/4.0=1 HG3 ARG 91 - HB3 ASP 36 OK 10 91 - 11 - 8781/3.6=2, 8829/4.0=1 HB2 LEU 38 - HB2 ASP 61 poor 9 82 - 11 - ~9452=3, ~9447=2...(4) HD3 LYS 40 - HB2 ASP 61 lone 8 87 - 9 - 9451/1.8=1, ~9451=1, 9445/3.0=1 HD2 LYS 40 - HB2 ASP 61 lone 7 87 - 8 - 9451/1.8=1, ~9451=1, 9766/3.0=1 HG2 LYS 20 - HB2 ASP 36 lone 7 99 - 7 - 8781/3.6=2, 8829/4.0=1 HG LEU 64 - HB3 ASP 36 poor 7 65 - 11 - ~10535=2, 4.8/7034=1...(4) HG LEU 64 - HB2 ASP 36 poor 7 65 - 11 - ~10535=2, 4.8/7034=1...(4) HG2 LYS 20 - HB3 ASP 36 lone 7 99 - 7 - 8781/3.6=2, 8829/4.0=1 HD2 LYS 82 - HB2 ASP 36 lone 6 100 - 6 - 10930/4.0=1 HD2 LYS 82 - HB3 ASP 36 lone 6 100 - 6 - 10930/4.0=1 HG13 ILE 52 - HB2 ASP 36 lone 6 99 - 6 - 8781/3.6=1 HG13 ILE 52 - HB3 ASP 36 lone 6 99 - 6 - 8781/3.6=1 HB2 LEU 27 - HB2 ASP 61 lone 5 85 - 6 - ~9446=2, 9451/1.8=1, 9445/3.0=1 HG13 ILE 52 - HB2 ASP 61 lone 5 85 - 6 - ~9448=3 HD2 LYS 53 - HB2 ASP 36 lone 4 100 - 4 - HD2 LYS 53 - HB3 ASP 36 lone 4 100 - 4 - HG2 LYS 53 - HB2 ASP 36 lone 4 100 - 4 - HG2 LYS 53 - HB3 ASP 36 lone 4 100 - 4 - HG3 LYS 53 - HB2 ASP 36 lone 3 98 - 3 - HG3 LYS 53 - HB3 ASP 36 lone 3 98 - 3 - HB2 LEU 27 - HB2 ASP 36 lone 3 99 - 3 - HB2 LEU 27 - HB3 ASP 36 lone 3 99 - 3 - HG3 LYS 53 - HB2 ASP 61 lone 3 84 - 3 - HG2 LYS 53 - HB2 ASP 61 lone 3 88 - 3 - HG2 LYS 20 - HB2 ASP 87 lone 3 67 - 4 - ~10313=1 HG2 LYS 20 - HB3 ASP 87 lone 3 67 - 4 - ~10313=1 HD2 LYS 53 - HB2 ASP 61 lone 2 87 - 3 - HG LEU 38 - HB3 ASP 87 lone 2 69 - 3 - HG LEU 38 - HB2 ASP 87 lone 2 69 - 3 - HB2 LEU 38 - HB3 ASP 87 lone 2 64 - 3 - HB2 LEU 38 - HB2 ASP 87 lone 2 64 - 3 - HG2 LYS 12 - HB2 ASP 36 lone 2 70 - 3 - HG2 LYS 12 - HB3 ASP 36 lone 2 69 - 3 - HG13 ILE 52 - HB3 ASP 87 lone 2 67 - 3 - HG13 ILE 52 - HB2 ASP 87 lone 2 67 - 3 - HG3 ARG 91 - HB2 ASP 61 lone 2 76 - 2 - HD2 LYS 40 - HB2 ASP 87 lone 2 69 - 3 - HD2 LYS 40 - HB3 ASP 87 lone 2 69 - 3 - HD3 LYS 40 - HB3 ASP 87 lone 2 69 - 3 - HD3 LYS 40 - HB2 ASP 87 lone 2 69 - 3 - HG2 LYS 20 - HB2 ASP 61 lone 2 85 - 2 - HG2 LYS 12 - HB2 ASP 87 lone 2 41 - 4 - ~9910=2 HG2 LYS 12 - HB3 ASP 87 lone 2 41 - 4 - ~9910=2 HD2 LYS 82 - HB2 ASP 87 lone 1 69 - 2 - HD2 LYS 82 - HB3 ASP 87 lone 1 69 - 2 - HB2 LEU 27 - HB3 ASP 87 lone 1 67 - 2 - HB2 LEU 27 - HB2 ASP 87 lone 1 67 - 2 - HD2 LYS 53 - HB3 ASP 87 lone 1 69 - 2 - HD2 LYS 53 - HB2 ASP 87 lone 1 69 - 2 - HG2 LYS 12 - HB2 ASP 61 lone 1 55 - 2 - HG2 LYS 53 - HB2 ASP 87 lone 1 70 - 2 - HG2 LYS 53 - HB3 ASP 87 lone 1 70 - 2 - HG3 LYS 53 - HB2 ASP 87 lone 1 66 - 2 - HG3 LYS 53 - HB3 ASP 87 lone 1 66 - 2 - HG LEU 64 - HB2 ASP 87 lone 1 38 - 3 - HG LEU 64 - HB3 ASP 87 lone 1 38 - 3 - Peak 8793 from cnoeabs.peaks (1.17, 2.50, 40.21 ppm; 5.40 A): 6 out of 25 assignments used, quality = 0.92: QG2 THR 34 + HB2 ASP 36 OK 62 96 - 65 - 8767/3.6=25, 8766/4.0=20...(8) QG2 THR 34 + HB3 ASP 36 OK 62 95 - 65 - 8767/3.6=25, 8766/4.0=20...(8) HB2 LEU 6 + HB2 ASP 36 OK 16 84 - 19 - 8830/4.0=9, 8782/3.6=5 HB2 LEU 6 + HB3 ASP 36 OK 15 83 - 18 - 8830/4.0=9, 8782/3.6=5 HG2 LYS 40 + HB2 ASP 36 OK 13 94 - 14 - ~8783=2, 8962/8833=2...(6) HG2 LYS 40 + HB3 ASP 36 OK 13 94 - 14 - ~8783=2, 8962/8833=2...(6) HB2 LEU 29 - HB2 ASP 36 lone 9 97 - 10 - 8678/3.0=3, 8830/4.0=2 HB2 LEU 29 - HB3 ASP 36 lone 9 97 - 9 - 8678/3.0=3, 8830/4.0=2 HG2 LYS 40 - HB2 ASP 61 lone 5 78 - 7 - ~9451=1 QG2 THR 34 - HB2 ASP 87 lone 4 62 - 6 - QG2 THR 34 - HB3 ASP 87 lone 4 62 - 6 - HB2 LEU 6 - HB2 ASP 61 lone 3 68 - 4 - ~9448=2 QG2 THR 34 - HB2 ASP 61 lone 3 80 - 3 - HB2 LEU 29 - HB3 ASP 87 lone 3 64 - 4 - 8577/8585=1 HB2 LEU 29 - HB2 ASP 87 lone 3 64 - 4 - 8577/8585=1 HG2 LYS 40 - HB3 ASP 87 lone 2 61 - 3 - HG2 LYS 40 - HB2 ASP 87 lone 2 61 - 3 - HB2 LEU 29 - HB2 ASP 61 lone 2 82 - 2 - HB3 LEU 3 - HB3 ASP 87 lone 1 41 - 4 - ~9911=2 HB3 LEU 3 - HB2 ASP 87 lone 1 41 - 4 - ~9911=2 HB2 LEU 6 - HB3 ASP 87 lone 1 52 - 3 - HB2 LEU 6 - HB2 ASP 87 lone 1 52 - 3 - HB3 LEU 3 - HB2 ASP 36 lone 1 70 - 2 - HB3 LEU 3 - HB3 ASP 36 lone 1 69 - 2 - HB3 LEU 3 - HB2 ASP 61 lone 1 55 - 2 - Peak 8796 from cnoeabs.peaks (7.57, 2.51, 40.21 ppm; 3.49 A): 4 out of 20 assignments used, quality = 0.72: H GLU 88 + HB2 ASP 87 OK 39 62 - 62 - 4.6=43, 7386/4.0=10...(7) H GLU 88 + HB3 ASP 87 OK 39 62 - 62 - 4.6=43, 7386/4.0=10...(7) H LYS 24 + HB2 ASP 87 OK 14 61 - 23 - 7389/3.0=6, 7386/4.0=6...(6) H LYS 24 + HB3 ASP 87 OK 14 61 - 23 - 7389/3.0=6, 7386/4.0=6...(6) H ILE 76 - HB3 ASP 36 poor 9 92 - 10 - 8772/3.6=6, 9643/4.0=3 H ILE 76 - HB2 ASP 36 poor 9 91 - 10 - 8772/3.6=6, 9643/4.0=3 H GLU 88 - HB2 ASP 36 lone 9 100 - 8 - 8772/3.6=4, 7391=1 H GLU 88 - HB3 ASP 36 lone 9 100 - 8 - 8772/3.6=4, 7391=1, 7390/1.8=1 H LYS 24 - HB2 ASP 36 lone 3 100 - 3 - H LYS 24 - HB3 ASP 36 lone 3 100 - 2 - H ILE 76 - HB2 ASP 87 lone 3 52 - 5 - 7386/4.0=2, 3851/3.0=1 H ILE 76 - HB3 ASP 87 lone 3 52 - 5 - 7386/4.0=2, 3851/3.0=1 H LEU 14 - HB2 ASP 87 lone 2 33 - 7 - 7386/4.0=2, 3851/3.0=2, ~9905=1 H LEU 14 - HB3 ASP 87 lone 2 33 - 7 - 7386/4.0=2, 3851/3.0=2, ~9905=1 H LEU 14 - HB3 ASP 36 lone 2 65 - 3 - 8772/3.6=3 H LEU 14 - HB2 ASP 36 lone 2 65 - 3 - 8772/3.6=3 H GLU 88 - HB2 ASP 61 lone 2 91 - 2 - H LYS 24 - HB2 ASP 61 lone 1 90 - 2 - H ILE 76 - HB2 ASP 61 lone 1 79 - 1 - H LEU 14 - HB2 ASP 61 lone 0 54 - 1 - Peak 8797 from cnoeabs.peaks (7.45, 2.51, 40.21 ppm; 4.67 A): 0 out of 30 assignments used, low quality = 0.34: HD22 ASN 26 - HB2 ASP 61 OK 14 54 - 26 - ~6423=7, ~6422=6...(6) H ARG 91 - HB3 ASP 87 OK 12 29 - 43 - 9896/3.0=17, 4.6/9945=6...(15) H ARG 91 - HB2 ASP 87 OK 12 29 - 43 - 9896/3.0=17, 4.6/9945=6...(15) H ARG 91 - HB3 ASP 36 lone 3 57 - 6 - HE3 TRP 92 - HB3 ASP 87 poor 3 31 - 11 - 9897/4.0=7, 7397/4.6=2 HE3 TRP 92 - HB2 ASP 87 poor 3 31 - 11 - 9897/4.0=7, 7397/4.6=2 H ARG 91 - HB2 ASP 36 lone 3 57 - 6 - HE ARG 19 - HB2 ASP 87 lone 3 62 - 5 - 9896/3.0=1, 3.6/12291=1 HE ARG 19 - HB3 ASP 87 lone 3 62 - 5 - 9896/3.0=1, 3.6/12291=1 HE22 GLN 72 - HB2 ASP 87 lone 2 54 - 4 - 9897/4.0=2 HE22 GLN 72 - HB3 ASP 87 lone 2 54 - 4 - 9897/4.0=2 HE ARG 19 - HB2 ASP 36 lone 2 100 - 2 - HE ARG 19 - HB3 ASP 36 lone 2 100 - 2 - HE ARG 46 - HB3 ASP 87 lone 2 29 - 5 - 9896/3.0=3 HE ARG 46 - HB2 ASP 87 lone 2 29 - 5 - 9896/3.0=3 HE22 GLN 72 - HB3 ASP 36 lone 1 94 - 2 - HE22 GLN 72 - HB2 ASP 36 lone 1 94 - 2 - HD22 ASN 26 - HB3 ASP 36 lone 1 65 - 2 - H ARG 91 - HB2 ASP 61 lone 1 47 - 3 - 4.6/9945=1 HD22 ASN 26 - HB2 ASP 36 lone 1 65 - 2 - HE ARG 19 - HB2 ASP 61 lone 1 91 - 1 - HE ARG 46 - HB2 ASP 36 lone 1 57 - 2 - HE ARG 46 - HB3 ASP 36 lone 1 57 - 2 - HE22 GLN 72 - HB2 ASP 61 lone 1 82 - 1 - HD22 ASN 26 - HB3 ASP 87 lone 1 33 - 3 - 9896/3.0=1 HD22 ASN 26 - HB2 ASP 87 lone 1 33 - 3 - 9896/3.0=1 HE3 TRP 92 - HB2 ASP 36 lone 1 61 - 1 - HE3 TRP 92 - HB3 ASP 36 lone 1 61 - 1 - HE ARG 46 - HB2 ASP 61 lone 1 47 - 1 - HE3 TRP 92 - HB2 ASP 61 lone 1 50 - 1 - Peak 8798 from cnoeabs.peaks (8.39, 2.51, 40.21 ppm; 4.42 A): 6 out of 10 assignments used, quality = 0.94: H GLU 62 + HB2 ASP 61 OK 71 71 - 100 - 4.4=100 H GLU 63 + HB2 ASP 61 OK 49 84 - 59 - 7010/4.4=34, 9456/3.0=11...(11) H GLU 62 + HB3 ASP 36 OK 21 84 - 25 - 3.6/2711=5, 4.5/8799=5...(6) H GLU 62 + HB2 ASP 36 OK 20 83 - 24 - 3.6/2711=5, 4.5/8799=5...(6) H GLU 63 + HB3 ASP 36 OK 20 96 - 20 - 4.5/7003=3, 7023/1.8=3...(9) H GLU 63 + HB2 ASP 36 OK 19 95 - 20 - 7023/1.8=3, 4.5/7003=3...(9) H GLU 63 - HB3 ASP 87 lone 4 55 - 7 - 10977/9945=2 H GLU 63 - HB2 ASP 87 lone 4 55 - 7 - 10977/9945=2 H GLU 62 - HB2 ASP 87 lone 2 45 - 4 - H GLU 62 - HB3 ASP 87 lone 2 45 - 4 - Peak 8799 from cnoeabs.peaks (8.57, 2.51, 40.21 ppm; 4.37 A): 3 out of 10 assignments used, quality = 0.96: H ASP 61 + HB2 ASP 61 OK 91 91 - 100 - 4.0=100 H ASP 61 + HB3 ASP 36 OK 37 100 - 37 - 6997=8, 6997/1.8=7...(11) H ASP 61 + HB2 ASP 36 OK 37 100 - 37 - 6997=8, 6997/1.8=7...(11) H LYS 12 - HB2 ASP 61 lone 4 71 - 5 - 2719/1.8=1, 2709/3.0=1 H ASP 61 - HB2 ASP 87 lone 3 62 - 5 - H ASP 61 - HB3 ASP 87 lone 3 62 - 5 - H LYS 12 - HB2 ASP 36 lone 2 83 - 2 - H LYS 12 - HB3 ASP 36 lone 2 84 - 2 - H LYS 12 - HB2 ASP 87 lone 1 45 - 2 - H LYS 12 - HB3 ASP 87 lone 1 45 - 2 - Peak 8800 from cnoeabs.peaks (9.18, 2.51, 40.21 ppm; 5.26 A): 4 out of 10 assignments used, quality = 0.91: H GLU 35 + HB2 ASP 36 OK 67 100 - 68 - 6556/3.6=40, 8803/4.0=25...(10) H GLU 35 + HB3 ASP 36 OK 67 100 - 67 - 6556/3.6=40, 8803/4.0=25...(9) H ILE 56 + HB3 ASP 36 OK 10 90 - 11 - 8803/4.0=5, 6556/3.6=4 H ILE 56 + HB2 ASP 36 OK 10 89 - 11 - 8803/4.0=5, 6556/3.6=4 H GLU 35 - HB3 ASP 87 lone 4 61 - 7 - 4.6/6563=2 H GLU 35 - HB2 ASP 87 lone 4 61 - 7 - 4.6/6563=2 H GLU 35 - HB2 ASP 61 lone 3 90 - 3 - H ILE 56 - HB2 ASP 87 lone 2 50 - 4 - 9919/4.6=2 H ILE 56 - HB3 ASP 87 lone 2 50 - 4 - 9919/4.6=2 H ILE 56 - HB2 ASP 61 lone 2 77 - 2 - Peak 8801 from cnoeabs.peaks (9.56, 2.51, 40.21 ppm; 5.73 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8802 from cnoeabs.peaks (1.45, 4.29, 56.96 ppm; 4.45 A): 2 out of 17 assignments used, quality = 0.94: HG3 LYS 39 + HA ASP 36 OK 88 99 - 89 - 3.0/10560=31...(20) HB2 LEU 38 + HA ASP 36 OK 52 94 - 55 - 3.8/10541=23...(11) HG LEU 38 - HA ASP 36 OK 30 84 - 36 - 5.3/10541=17, ~10538=4...(9) HD2 LYS 40 - HA ASP 36 OK 19 65 - 29 - 6.2/10540=14...(6) HD3 LYS 40 - HA ASP 36 OK 17 61 - 29 - 6.2/10540=14...(6) HG13 ILE 76 - HA ASP 36 OK 13 92 - 14 - 1740/10563=2, ~10538=2 HG2 LYS 12 - HA ASP 36 OK 11 100 - 11 - 425/8949=3, 1685/10560=2...(4) HG3 ARG 91 - HA ASP 36 OK 11 98 - 11 - 4054/4.9=2, 1642/10541=1 HG2 LYS 20 - HA ASP 36 lone 8 90 - 9 - 1.8/8783=1 HG LEU 29 - HA ASP 36 lone 7 90 - 8 - 3.0/8678=2 HG13 ILE 52 - HA ASP 36 lone 6 90 - 7 - 1642/10541=1 QB ALA 22 - HA ASP 36 lone 5 90 - 6 - HD2 LYS 82 - HA ASP 36 lone 5 84 - 6 - HB2 LEU 27 - HA ASP 36 lone 4 90 - 4 - HD2 LYS 53 - HA ASP 36 lone 3 84 - 3 - HG2 LYS 53 - HA ASP 36 lone 2 70 - 4 - HG2 LYS 13 - HA ASP 36 lone 2 73 - 3 - Peak 8806 from cnoeabs.peaks (7.25, 3.71, 58.70 ppm; 5.14 A): 2 out of 2 assignments used, quality = 0.91: H THR 34 + HA GLU 37 OK 85 94 - 91 - 8753/3.0=33, 8752/3.0=33...(9) HH2 TRP 92 + HA GLU 37 OK 38 77 - 49 - 8810/3.0=12, 8808/3.0=12...(9) Peak 8807 from cnoeabs.peaks (6.83, 3.71, 58.70 ppm; 5.29 A): 2 out of 2 assignments used, quality = 0.89: HD1 TYR 41 + HA GLU 37 OK 67 100 - 67 - 5.4/6640=11, 8813/3.9=11...(20) HD2 TYR 41 + HA GLU 37 OK 66 99 - 67 - 5.3/6640=12, 8813/3.9=10...(20) Peak 8808 from cnoeabs.peaks (7.25, 1.98, 30.20 ppm; 3.97 A): 2 out of 2 assignments used, quality = 0.84: H THR 34 + HB2 GLU 37 OK 77 94 - 82 - 8753/1.8=32, 8752=32...(10) HH2 TRP 92 + HB2 GLU 37 OK 28 77 - 36 - 8810/1.8=11, 8814/3.0=7...(8) Peak 8809 from cnoeabs.peaks (6.84, 1.98, 30.20 ppm; 4.59 A): 4 out of 5 assignments used, quality = 0.93: HE2 TYR 41 + HB2 GLU 37 OK 60 96 - 63 - 8815/3.0=14, 8905=10...(14) HE1 TYR 41 + HB2 GLU 37 OK 56 92 - 61 - 8815/3.0=14, 8905=10...(13) HD1 TYR 41 + HB2 GLU 37 OK 38 70 - 55 - 8813/3.0=9, 8811/1.8=9...(14) HD2 TYR 41 + HB2 GLU 37 OK 32 57 - 56 - ~8815=9, 2.5/8905=9...(15) HE21 GLN 72 - HB2 GLU 37 lone 9 97 - 9 - 8820/4.1=2, 8815/3.0=2 Peak 8810 from cnoeabs.peaks (7.25, 2.13, 30.20 ppm; 3.95 A): 2 out of 2 assignments used, quality = 0.90: H THR 34 + HB3 GLU 37 OK 85 99 - 86 - 8753=35, 8752/1.8=35...(12) HH2 TRP 92 + HB3 GLU 37 OK 35 92 - 37 - 8808/1.8=10, 8814/3.0=8...(8) Peak 8811 from cnoeabs.peaks (6.84, 2.13, 30.20 ppm; 5.02 A): 4 out of 5 assignments used, quality = 0.92: HD1 TYR 41 + HB3 GLU 37 OK 51 87 - 58 - 8807/3.0=13, 8813/3.0=12...(11) HE2 TYR 41 + HB3 GLU 37 OK 49 84 - 58 - 8815/3.0=14, 8809/1.8=13...(11) HD2 TYR 41 + HB3 GLU 37 OK 46 77 - 59 - 8807/3.0=13, 8813/3.0=11...(12) HE1 TYR 41 + HB3 GLU 37 OK 42 77 - 54 - 8815/3.0=13, 8809/1.8=12...(10) HE21 GLN 72 - HB3 GLU 37 lone 9 87 - 10 - 8820/4.1=2, 8809/1.8=2...(5) Peak 8812 from cnoeabs.peaks (7.24, 2.26, 36.95 ppm; 4.67 A): 2 out of 6 assignments used, quality = 0.93: H THR 34 + HG2 GLU 37 OK 89 100 - 89 - 8752/3.0=35, 8753/3.0=35...(13) HH2 TRP 92 + HG2 GLU 37 OK 43 99 - 43 - 8814/1.8=14, 8810/3.0=11...(10) H THR 34 - HG3 GLU 62 OK 23 62 - 37 - 8754/1.8=8, 8754=7...(12) H THR 34 - HG2 GLU 62 OK 23 62 - 37 - 8754/1.8=8, 8754=7...(12) HH2 TRP 92 - HG3 GLU 62 lone 4 60 - 7 - 8810/1598=1 HH2 TRP 92 - HG2 GLU 62 lone 4 60 - 7 - 8810/1598=1 Peak 8813 from cnoeabs.peaks (6.83, 2.26, 36.95 ppm; 4.39 A): 3 out of 12 assignments used, quality = 0.77: HD1 TYR 41 + HG2 GLU 37 OK 46 97 - 47 - ~8815=10, 8807/3.9=10...(12) HD2 TYR 41 + HG2 GLU 37 OK 44 92 - 48 - ~8815=11, 8807/3.9=10...(12) HE2 TYR 41 + HG2 GLU 37 OK 23 65 - 36 - 8815/1.8=9, 8809/3.0=8...(8) HD1 TYR 41 - HG2 GLU 62 poor 7 57 - 12 - ~14621=2, ~14622=1...(5) HD1 TYR 41 - HG3 GLU 62 poor 7 57 - 12 - ~14621=2, ~14622=1...(5) HD2 TYR 41 - HG2 GLU 62 poor 6 52 - 11 - ~14621=2, ~14622=1...(5) HD2 TYR 41 - HG3 GLU 62 poor 6 52 - 11 - ~14621=2, ~14622=1...(5) HE21 GLN 72 - HG2 GLU 37 lone 4 70 - 6 - 8820/5.0=1, 8811/3.0=1...(4) HE2 TYR 41 - HG2 GLU 62 lone 3 34 - 8 - HE2 TYR 41 - HG3 GLU 62 lone 3 34 - 8 - HE21 GLN 72 - HG3 GLU 62 lone 1 36 - 2 - HE21 GLN 72 - HG2 GLU 62 lone 1 36 - 2 - Peak 8814 from cnoeabs.peaks (7.24, 2.11, 36.95 ppm; 4.43 A): 2 out of 2 assignments used, quality = 0.91: H THR 34 + HG3 GLU 37 OK 84 100 - 84 - 8752/3.0=33, 8753/3.0=32...(11) HH2 TRP 92 + HG3 GLU 37 OK 42 99 - 42 - 8810/3.0=10, 8812/1.8=8...(12) Peak 8815 from cnoeabs.peaks (6.85, 2.11, 36.95 ppm; 4.38 A): 2 out of 4 assignments used, quality = 0.76: HE2 TYR 41 + HG3 GLU 37 OK 52 100 - 52 - 8904=9, 8809/3.0=9...(16) HE1 TYR 41 + HG3 GLU 37 OK 50 99 - 50 - 8904=9, 8809/3.0=8...(15) HD1 TRP 92 - HG3 GLU 37 poor 7 61 - 12 - 6.6/8814=4, 2.6/9972=3 HE21 GLN 72 - HG3 GLU 37 lone 7 100 - 6 - 8820/5.0=2, 8809/3.0=1 Peak 8816 from cnoeabs.peaks (9.32, 2.11, 36.95 ppm; 4.75 A): 2 out of 2 assignments used, quality = 0.80: H LYS 33 + HG3 GLU 37 OK 59 73 - 80 - 4.1/8849=21, 8819/3.0=18...(12) H LEU 6 + HG3 GLU 37 OK 53 99 - 53 - 8819/3.0=16, 8818/3.0=16...(10) Peak 8817 from cnoeabs.peaks (9.31, 2.26, 36.95 ppm; 4.86 A): 4 out of 6 assignments used, quality = 0.90: H LYS 33 + HG2 GLU 37 OK 69 90 - 77 - 8816/1.8=21, 8819/3.0=18...(11) H LEU 6 + HG2 GLU 37 OK 57 100 - 57 - 8816/1.8=19, 8819/3.0=17...(10) H LYS 33 + HG2 GLU 62 OK 15 50 - 31 - 8748=6, 8748/1.8=6...(12) H LYS 33 + HG3 GLU 62 OK 15 50 - 31 - 8748=6, 8748/1.8=6...(12) H LEU 6 - HG2 GLU 62 poor 7 62 - 11 - 8819/1591=2, 8818/1598=2...(4) H LEU 6 - HG3 GLU 62 poor 7 62 - 11 - 8819/1591=2, 8818/1598=2...(4) Peak 8818 from cnoeabs.peaks (9.32, 2.13, 30.20 ppm; 4.70 A): 2 out of 2 assignments used, quality = 0.80: H LYS 33 + HB3 GLU 37 OK 57 73 - 78 - 4.6/8753=22, 4.1/8839=22...(10) H LEU 6 + HB3 GLU 37 OK 55 99 - 55 - 8819/1.8=20, 8816/3.0=15...(9) Peak 8819 from cnoeabs.peaks (9.32, 1.98, 30.20 ppm; 4.56 A): 2 out of 2 assignments used, quality = 0.77: H LYS 33 + HB2 GLU 37 OK 55 73 - 75 - 4.1/8836=21, 4.6/8752=21...(8) H LEU 6 + HB2 GLU 37 OK 50 99 - 50 - 8818/1.8=18, 8816/3.0=14...(7) Peak 8823 from cnoeabs.peaks (4.42, 1.98, 30.20 ppm; 4.66 A): 6 out of 9 assignments used, quality = 0.93: HA VAL 32 + HB2 GLU 37 OK 77 92 - 84 - 3.2/8836=27, ~8839=17...(15) HA MET 74 + HB2 GLU 37 OK 34 65 - 53 - 3.0/1587=10, ~1594=7...(19) HA ILE 76 + HB2 GLU 37 OK 28 97 - 30 - 4.2/8837=7, ~8844=5...(10) HA ALA 25 + HB2 GLU 37 OK 18 96 - 19 - 8824/1.8=3, 8615=3...(8) HA MET 21 + HB2 GLU 37 OK 15 92 - 16 - 8824/1.8=3, 954/3.0=2...(7) HA GLU 48 + HB2 GLU 37 OK 12 97 - 12 - ~1584=2, 8824/1.8=2...(5) HA SER 9 - HB2 GLU 37 lone 7 96 - 7 - 8764/8752=1 HA HIS 106 - HB2 GLU 37 lone 4 81 - 5 - HB THR 84 - HB2 GLU 37 lone 2 61 - 3 - Peak 8824 from cnoeabs.peaks (4.42, 2.13, 30.20 ppm; 5.07 A): 2 out of 9 assignments used, quality = 0.94: HA VAL 32 + HB3 GLU 37 OK 88 99 - 89 - 3.2/8839=29, ~8836=21...(18) HA MET 74 + HB3 GLU 37 OK 50 84 - 60 - 3.0/1594=12, ~1587=8...(17) HA ILE 76 - HB3 GLU 37 OK 26 87 - 30 - 8823/1.8=6, ~8844=6...(9) HA ALA 25 - HB3 GLU 37 OK 20 100 - 20 - 8823/1.8=4, 8827/3.0=3...(8) HA MET 21 - HB3 GLU 37 OK 18 99 - 18 - 8827/3.0=3, 8823/1.8=3...(7) HA GLU 48 - HB3 GLU 37 OK 11 87 - 13 - 8823/1.8=3, ~1584=2...(6) HA SER 9 - HB3 GLU 37 lone 6 84 - 7 - 8823/1.8=2, 8764/8753=1 HA HIS 106 - HB3 GLU 37 lone 5 94 - 5 - HA GLN 50 - HB3 GLU 37 lone 2 65 - 4 - Peak 8826 from cnoeabs.peaks (4.42, 2.26, 36.95 ppm; 5.51 A): 3 out of 27 assignments used, quality = 0.92: HA VAL 32 + HG2 GLU 37 OK 83 92 - 90 - ~8849=23, 3.2/10157=21...(17) HA MET 74 + HG2 GLU 37 OK 37 65 - 57 - ~1608=10, 3.0/1601=8...(13) HA ILE 76 + HG2 GLU 37 OK 28 97 - 30 - 3.2/8844=12, 8823/3.0=6...(6) HA ALA 25 - HG2 GLU 37 OK 20 96 - 21 - 8823/3.0=4, 8824/3.0=3...(7) HA VAL 32 - HG3 GLU 62 OK 19 52 - 38 - 3.2/10157=8, 3.6/8748=6...(14) HA VAL 32 - HG2 GLU 62 OK 19 52 - 38 - 3.2/10157=8, 3.6/8748=6...(14) HA MET 21 - HG2 GLU 37 OK 19 92 - 21 - 8823/3.0=3, 8827/1.8=3...(8) HA GLU 48 - HG2 GLU 37 OK 11 97 - 11 - 8823/3.0=3, 8824/3.0=2...(5) HA SER 9 - HG2 GLU 37 lone 8 96 - 8 - 8823/3.0=1, 3426/8844=1 HA ALA 25 - HG2 GLU 62 poor 6 55 - 10 - 10474/4.0=2, ~8612=2, ~8624=2 HA ALA 25 - HG3 GLU 62 poor 6 55 - 10 - 10474/4.0=2, ~8612=2, ~8624=2 HA HIS 106 - HG2 GLU 37 lone 5 81 - 6 - HA MET 21 - HG2 GLU 62 lone 5 52 - 9 - 954/2.9=1 HA MET 21 - HG3 GLU 62 lone 5 52 - 9 - 954/2.9=1 HA ILE 76 - HG3 GLU 62 lone 3 57 - 6 - HA ILE 76 - HG2 GLU 62 lone 3 57 - 6 - HA MET 74 - HG3 GLU 62 lone 3 34 - 10 - HA MET 74 - HG2 GLU 62 lone 3 34 - 10 - HA GLU 48 - HG2 GLU 62 lone 2 57 - 3 - HA GLU 48 - HG3 GLU 62 lone 2 57 - 3 - HA SER 9 - HG2 GLU 62 lone 2 55 - 3 - HA SER 9 - HG3 GLU 62 lone 2 55 - 3 - HB THR 84 - HG2 GLU 37 lone 1 61 - 2 - HA HIS 106 - HG2 GLU 62 lone 1 43 - 3 - HA HIS 106 - HG3 GLU 62 lone 1 43 - 3 - HB THR 84 - HG2 GLU 62 lone 1 31 - 3 - ~9839=1 HB THR 84 - HG3 GLU 62 lone 1 31 - 3 - ~9839=1 Peak 8827 from cnoeabs.peaks (4.41, 2.11, 36.95 ppm; 4.94 A): 4 out of 6 assignments used, quality = 0.94: HA VAL 32 + HG3 GLU 37 OK 83 99 - 84 - 3.2/8849=27, 10144=20...(17) HA MET 74 + HG3 GLU 37 OK 49 100 - 49 - 3.0/1608=11, 3326/5.0=7...(14) HA MET 21 + HG3 GLU 37 OK 20 99 - 20 - 954=3, 8824/3.0=2...(10) HA ALA 25 + HG3 GLU 37 OK 18 97 - 18 - 2.1/8624=3, 8824/3.0=2...(8) HA HIS 106 - HG3 GLU 37 lone 5 100 - 5 - HA GLN 50 - HG3 GLU 37 lone 4 96 - 4 - Peak 8833 from cnoeabs.peaks (2.50, 3.71, 58.70 ppm; 4.71 A): 5 out of 8 assignments used, quality = 0.93: HB2 ASP 36 + HA GLU 37 OK 68 99 - 69 - 6569/3.0=18, ~6569=13...(13) HB3 ASP 36 + HA GLU 37 OK 67 98 - 69 - 6569/3.0=18, ~6569=13...(13) HB3 ASP 87 + HA GLU 37 OK 16 100 - 16 - 10965/3.0=3, 6569/3.0=2...(7) HB2 ASP 87 + HA GLU 37 OK 16 100 - 16 - 10965/3.0=3, 6569/3.0=2...(7) HD2 ARG 91 + HA GLU 37 OK 10 81 - 12 - 3.5/1586=3, 2.9/12310=2...(5) HG3 GLU 23 - HA GLU 37 lone 7 92 - 7 - 1.8/1581=2, ~6574=1 HB2 ASP 61 - HA GLU 37 lone 5 94 - 5 - ~10737=1, 6569/3.0=1 HG3 GLU 63 - HA GLU 37 lone 2 77 - 3 - Peak 8834 from cnoeabs.peaks (2.77, 3.71, 58.70 ppm; 5.13 A): 2 out of 2 assignments used, quality = 0.91: HE3 LYS 40 + HA GLU 37 OK 70 98 - 71 - 4.8/1585=18, 4.8/1794=15...(13) HE2 LYS 40 + HA GLU 37 OK 69 97 - 71 - 4.8/1585=18, 4.8/1794=15...(13) Peak 8835 from cnoeabs.peaks (1.17, 3.71, 58.70 ppm; 4.70 A): 4 out of 4 assignments used, quality = 0.92: QG2 THR 34 + HA GLU 37 OK 65 100 - 65 - 8830/3.0=22, 4.0/8806=17...(8) HG2 LYS 40 + HA GLU 37 OK 63 73 - 86 - 2.9/1585=23, 4.9/1584=22...(20) HB2 LEU 6 + HA GLU 37 OK 28 98 - 28 - 8830/3.0=10, 8838/3.0=5...(6) HB2 LEU 29 + HA GLU 37 OK 12 81 - 14 - 8830/3.0=2, 8848/3.9=2...(5) Peak 8836 from cnoeabs.peaks (0.90, 1.98, 30.20 ppm; 3.74 A): 2 out of 3 assignments used, quality = 0.86: QG1 VAL 32 + HB2 GLU 37 OK 80 99 - 81 - 8839/1.8=24, 8849/3.0=17...(16) HG13 ILE 7 + HB2 GLU 37 OK 29 92 - 31 - 8839/1.8=8, 3.2/8837=6...(8) HG13 ILE 8 - HB2 GLU 37 poor 8 73 - 11 - 3.1/8837=3, 8839/1.8=2...(4) Peak 8837 from cnoeabs.peaks (0.79, 1.98, 30.20 ppm; 4.08 A): 3 out of 8 assignments used, quality = 0.48: QD1 ILE 76 + HB2 GLU 37 OK 22 92 - 24 - 10878/3.0=4, ~8844=3...(8) QG2 ILE 7 + HB2 GLU 37 OK 21 96 - 22 - 3.2/8836=8, ~8839=5...(5) QD2 LEU 70 + HB2 GLU 37 OK 15 70 - 22 - ~8840=4, 8840/1.8=3...(10) QG2 ILE 8 - HB2 GLU 37 lone 9 99 - 9 - 3.1/8836=2, ~8844=1, ~8839=1 QG2 ILE 52 - HB2 GLU 37 lone 8 87 - 9 - 3.2/9159=1, ~8846=1 QD2 LEU 57 - HB2 GLU 37 lone 5 99 - 5 - QD2 LEU 2 - HB2 GLU 37 lone 3 65 - 5 - ~8844=1 QG2 ILE 15 - HB2 GLU 37 lone 2 61 - 3 - Peak 8838 from cnoeabs.peaks (1.17, 2.13, 30.20 ppm; 5.66 A): 3 out of 5 assignments used, quality = 0.96: QG2 THR 34 + HB3 GLU 37 OK 75 98 - 77 - 4.0/8753=32, 8766/4.1=23...(10) HG2 LYS 40 + HB3 GLU 37 OK 71 90 - 80 - ~1585=16, 8835/3.0=16...(18) HB2 LEU 6 + HB3 GLU 37 OK 41 90 - 46 - 4.0/8818=18, 8830/4.1=10...(8) HB2 LEU 29 - HB3 GLU 37 OK 14 94 - 15 - 8848/3.0=3, 8835/3.0=3...(5) HB3 LEU 3 - HB3 GLU 37 poor 10 61 - 16 - ~8094=3, ~8097=3...(7) Peak 8839 from cnoeabs.peaks (0.90, 2.13, 30.20 ppm; 3.94 A): 2 out of 3 assignments used, quality = 0.89: QG1 VAL 32 + HB3 GLU 37 OK 84 99 - 84 - 8836/1.8=27, 8849/3.0=19...(16) HG13 ILE 7 + HB3 GLU 37 OK 30 92 - 32 - 8836/1.8=10, 8849/3.0=7...(9) HG13 ILE 8 - HB3 GLU 37 poor 8 73 - 10 - 8836/1.8=3, ~8837=2...(5) Peak 8840 from cnoeabs.peaks (0.81, 2.13, 30.20 ppm; 4.84 A): 5 out of 9 assignments used, quality = 0.88: QD1 LEU 70 + HB3 GLU 37 OK 37 94 - 40 - ~8837=6, 8850/3.0=5...(19) QD2 LEU 70 + HB3 GLU 37 OK 36 100 - 37 - 10278/3.0=5, 8837/1.8=4...(17) QD2 LEU 38 + HB3 GLU 37 OK 35 73 - 48 - 4.5/1600=29, ~8933=9...(8) QG2 ILE 7 + HB3 GLU 37 OK 31 96 - 33 - 3.2/8839=10, ~8836=7...(6) QD1 ILE 76 + HB3 GLU 37 OK 31 98 - 32 - 8837/1.8=6, 10878/3.0=6...(10) QD2 LEU 2 - HB3 GLU 37 lone 9 100 - 9 - ~8844=2, 8850/3.0=1 QD2 LEU 57 - HB3 GLU 37 lone 8 90 - 9 - 8837/1.8=2, ~9362=1 QG2 ILE 15 - HB3 GLU 37 lone 8 100 - 8 - QD2 LEU 103 - HB3 GLU 37 lone 5 57 - 9 - 6589/4.6=3, ~8844=1 Peak 8841 from cnoeabs.peaks (1.68, 2.26, 36.95 ppm; 4.84 A): 11 out of 51 assignments used, quality = 0.90: HB3 LYS 40 + HG2 GLU 37 OK 54 100 - 55 - 1794/3.9=17, 8846/1.8=11...(14) HG LEU 70 + HG2 GLU 37 OK 23 65 - 35 - 3.0/11067=6, ~8837=4...(12) HD2 LYS 20 + HG2 GLU 37 OK 15 100 - 15 - 8846/1.8=3, ~8846=2...(6) HB3 ARG 91 + HG2 GLU 37 OK 14 100 - 14 - 8846/1.8=3, 1586/3.9=2...(7) HG3 LYS 20 + HG2 GLU 37 OK 14 98 - 15 - 8846/1.8=3, ~8846=2...(6) HD3 LYS 20 + HG2 GLU 37 OK 14 98 - 14 - 8846/1.8=3, ~8846=2...(6) HB ILE 52 + HG2 GLU 37 OK 13 92 - 14 - 8846/1.8=3, ~8837=2...(7) HB3 LYS 53 + HG2 GLU 37 OK 12 99 - 12 - 8846/1.8=2, 1586/3.9=2...(6) HD2 LYS 47 + HG2 GLU 37 OK 11 100 - 11 - 8846/1.8=2, ~8846=2...(5) HD3 LYS 47 + HG2 GLU 37 OK 11 100 - 11 - 8846/1.8=2, ~8846=2...(5) HG2 PRO 86 + HG2 GLU 37 OK 10 87 - 11 - 1586/3.9=2, 3833/1.8=1 HD2 LYS 73 - HG2 GLU 37 lone 8 84 - 9 - 8828/5.0=2, 8846/1.8=2...(4) HD3 LYS 73 - HG2 GLU 37 lone 7 77 - 9 - 8828/5.0=2, 8846/1.8=2...(4) HB3 LYS 40 - HG3 GLU 62 lone 6 61 - 10 - 1794/1581=2 HB3 LYS 40 - HG2 GLU 62 lone 6 61 - 10 - 1794/1581=2 HG12 ILE 15 - HG2 GLU 37 lone 4 84 - 5 - HD2 LYS 24 - HG2 GLU 37 lone 4 77 - 5 - HD3 LYS 24 - HG2 GLU 37 lone 4 73 - 5 - HB3 ARG 91 - HG3 GLU 62 lone 3 62 - 4 - HB3 ARG 91 - HG2 GLU 62 lone 3 62 - 4 - HD2 LYS 20 - HG3 GLU 62 lone 2 61 - 4 - HD2 LYS 20 - HG2 GLU 62 lone 2 61 - 4 - HD3 LYS 20 - HG2 GLU 62 lone 2 58 - 4 - HD3 LYS 20 - HG3 GLU 62 lone 2 58 - 4 - HG3 LYS 20 - HG3 GLU 62 lone 2 58 - 4 - HG3 LYS 20 - HG2 GLU 62 lone 2 58 - 4 - HG LEU 70 - HG2 GLU 62 lone 2 34 - 6 - HG LEU 70 - HG3 GLU 62 lone 2 34 - 6 - HG2 PRO 86 - HG3 GLU 62 lone 2 48 - 4 - HG2 PRO 86 - HG2 GLU 62 lone 2 48 - 4 - HD3 LYS 90 - HG2 GLU 62 lone 2 38 - 5 - ~10310=1 HD3 LYS 90 - HG3 GLU 62 lone 2 38 - 5 - ~10310=1 HD2 LYS 47 - HG3 GLU 62 lone 2 62 - 3 - HD2 LYS 47 - HG2 GLU 62 lone 2 62 - 3 - HD3 LYS 47 - HG3 GLU 62 lone 2 62 - 3 - HD3 LYS 47 - HG2 GLU 62 lone 2 62 - 3 - HD3 LYS 90 - HG2 GLU 37 lone 2 73 - 2 - HB ILE 52 - HG2 GLU 62 lone 2 52 - 3 - HB ILE 52 - HG3 GLU 62 lone 2 52 - 3 - HB3 LYS 53 - HG2 GLU 62 lone 2 59 - 3 - HB3 LYS 53 - HG3 GLU 62 lone 2 59 - 3 - HD2 LYS 24 - HG3 GLU 62 lone 2 41 - 4 - 6.3/6380=1 HD2 LYS 24 - HG2 GLU 62 lone 2 41 - 4 - 6.3/6380=1 HD3 LYS 24 - HG3 GLU 62 lone 1 38 - 4 - 6.3/6380=1 HD3 LYS 24 - HG2 GLU 62 lone 1 38 - 4 - 6.3/6380=1 HD2 LYS 73 - HG2 GLU 62 lone 1 45 - 3 - HD2 LYS 73 - HG3 GLU 62 lone 1 45 - 3 - HD3 LYS 73 - HG3 GLU 62 lone 1 41 - 3 - HD3 LYS 73 - HG2 GLU 62 lone 1 41 - 3 - HG12 ILE 15 - HG2 GLU 62 lone 1 45 - 2 - HG12 ILE 15 - HG3 GLU 62 lone 1 45 - 2 - Peak 8842 from cnoeabs.peaks (1.46, 2.26, 36.95 ppm; 4.73 A): 10 out of 42 assignments used, quality = 0.94: HD2 LYS 40 + HG2 GLU 37 OK 44 100 - 44 - ~8848=7, 3.0/8843=7...(10) HD3 LYS 40 + HG2 GLU 37 OK 44 100 - 44 - ~8848=7, 3.0/8843=7...(10) HB2 LEU 38 + HG2 GLU 37 OK 38 94 - 41 - 3.8/1607=17, 8847/1.8=6...(9) HG LEU 38 + HG2 GLU 37 OK 37 99 - 38 - 5.3/1607=13, 8847/1.8=5...(9) HD2 LYS 53 + HG2 GLU 37 OK 14 99 - 14 - 12114/3.0=3, ~12115=2...(5) HG2 LYS 20 + HG2 GLU 37 OK 14 97 - 14 - ~8846=3, 8847/1.8=2...(6) HG2 LYS 53 + HG2 GLU 37 OK 12 100 - 12 - ~12114=2, 8847/1.8=2...(7) HG3 LYS 53 + HG2 GLU 37 OK 12 99 - 12 - ~12114=2, 8847/1.8=2...(6) HG13 ILE 52 + HG2 GLU 37 OK 11 97 - 12 - ~8846=2, ~8837=2...(6) HG3 ARG 91 + HG2 GLU 37 OK 10 87 - 12 - ~8846=2, 2.8/8841=2...(6) HB2 LEU 38 - HG3 GLU 62 poor 8 54 - 15 - 3.8/6583=6 HB2 LEU 38 - HG2 GLU 62 poor 8 54 - 15 - 3.8/6583=6 HG LEU 38 - HG3 GLU 62 poor 8 59 - 13 - 5.3/6583=5, 2.1/8845=1 HG LEU 38 - HG2 GLU 62 poor 8 59 - 13 - 5.3/6583=5, 2.1/8845=1 HG LEU 64 - HG2 GLU 37 lone 7 73 - 9 - 8847/1.8=1, ~2836=1, ~2844=1 HD2 LYS 82 - HG2 GLU 37 lone 5 99 - 5 - HD2 LYS 40 - HG3 GLU 62 lone 5 62 - 7 - HD2 LYS 40 - HG2 GLU 62 lone 5 62 - 7 - HD3 LYS 40 - HG3 GLU 62 lone 5 62 - 7 - HD3 LYS 40 - HG2 GLU 62 lone 5 62 - 7 - HB2 LEU 27 - HG2 GLU 37 lone 4 97 - 4 - HG2 LYS 20 - HG3 GLU 62 lone 2 57 - 4 - HG2 LYS 20 - HG2 GLU 62 lone 2 57 - 4 - HB2 LEU 27 - HG3 GLU 62 lone 2 57 - 4 - HB2 LEU 27 - HG2 GLU 62 lone 2 57 - 4 - HG13 ILE 52 - HG3 GLU 62 lone 2 57 - 3 - HG13 ILE 52 - HG2 GLU 62 lone 2 57 - 3 - HG3 ARG 91 - HG3 GLU 62 lone 2 48 - 4 - HG3 ARG 91 - HG2 GLU 62 lone 2 48 - 4 - HG2 LYS 12 - HG2 GLU 37 lone 2 61 - 3 - HD2 LYS 53 - HG3 GLU 62 lone 2 59 - 3 - HD2 LYS 53 - HG2 GLU 62 lone 2 59 - 3 - HG2 LYS 53 - HG2 GLU 62 lone 2 62 - 2 - HG2 LYS 53 - HG3 GLU 62 lone 2 62 - 2 - HG3 LYS 53 - HG2 GLU 62 lone 1 60 - 2 - HG3 LYS 53 - HG3 GLU 62 lone 1 60 - 2 - HD2 LYS 82 - HG2 GLU 62 lone 1 59 - 2 - HD2 LYS 82 - HG3 GLU 62 lone 1 59 - 2 - HG LEU 64 - HG2 GLU 62 lone 1 38 - 2 - HG LEU 64 - HG3 GLU 62 lone 1 38 - 2 - HG2 LYS 12 - HG3 GLU 62 lone 1 31 - 2 - HG2 LYS 12 - HG2 GLU 62 lone 1 31 - 2 - Peak 8843 from cnoeabs.peaks (1.17, 2.26, 36.95 ppm; 4.90 A): 6 out of 15 assignments used, quality = 0.91: QG2 THR 34 + HG2 GLU 37 OK 63 98 - 65 - 8759=19, 8758/1.8=16...(10) HG2 LYS 40 + HG2 GLU 37 OK 45 90 - 51 - 8848/1.8=12, 8835/3.9=11...(12) HB2 LEU 6 + HG2 GLU 37 OK 29 90 - 33 - 4.0/8817=9, 8830/5.0=6...(8) QG2 THR 34 + HG3 GLU 62 OK 16 58 - 28 - 8759=8, 8759/1.8=6...(8) QG2 THR 34 + HG2 GLU 62 OK 16 58 - 28 - 8759=8, 8759/1.8=6...(8) HB2 LEU 29 + HG2 GLU 37 OK 11 94 - 12 - 8848/1.8=3, 8835/3.9=2...(4) HB3 LEU 3 - HG2 GLU 37 lone 6 61 - 9 - 8848/1.8=2, ~8097=1, 8838/3.0=1 HG2 LYS 40 - HG3 GLU 62 lone 5 50 - 10 - 8835/1581=1 HG2 LYS 40 - HG2 GLU 62 lone 5 50 - 10 - 8835/1581=1 HB2 LEU 6 - HG2 GLU 62 lone 3 50 - 6 - 4.0/8817=1 HB2 LEU 6 - HG3 GLU 62 lone 3 50 - 6 - 4.0/8817=1 HB2 LEU 29 - HG2 GLU 62 lone 2 54 - 3 - HB2 LEU 29 - HG3 GLU 62 lone 2 54 - 3 - HB3 LEU 3 - HG2 GLU 62 lone 1 31 - 2 - HB3 LEU 3 - HG3 GLU 62 lone 1 31 - 2 - Peak 8844 from cnoeabs.peaks (0.88, 2.26, 36.95 ppm; 4.73 A): 0 out of 15 assignments used, low quality = 0.39: QG2 ILE 76 - HG2 GLU 37 OK 24 100 - 25 - ~8837=5, 9626/5.0=3...(10) HG13 ILE 7 - HG2 GLU 37 OK 19 90 - 21 - ~8837=4, 8849/1.8=3...(7) HG13 ILE 8 - HG2 GLU 37 lone 9 99 - 9 - 1.8/11067=2, ~8837=2 QD1 LEU 2 - HG2 GLU 37 lone 6 100 - 6 - ~8850=1 QD1 LEU 103 - HG2 GLU 37 lone 4 65 - 6 - 2.1/8845=1, 6590/1607=1 QD1 LEU 2 - HG2 GLU 62 lone 3 62 - 4 - QD1 LEU 2 - HG3 GLU 62 lone 3 62 - 4 - QG2 ILE 76 - HG3 GLU 62 lone 2 62 - 3 - QG2 ILE 76 - HG2 GLU 62 lone 2 62 - 3 - HG13 ILE 8 - HG2 GLU 62 lone 2 59 - 3 - HG13 ILE 8 - HG3 GLU 62 lone 2 59 - 3 - QD1 LEU 103 - HG2 GLU 62 lone 2 34 - 5 - 4.9/7554=2 QD1 LEU 103 - HG3 GLU 62 lone 2 34 - 5 - 4.9/7554=2 HG13 ILE 7 - HG3 GLU 62 lone 1 50 - 3 - HG13 ILE 7 - HG2 GLU 62 lone 1 50 - 3 - Peak 8845 from cnoeabs.peaks (0.83, 2.26, 36.95 ppm; 4.87 A): 3 out of 24 assignments used, quality = 0.94: QG2 VAL 32 + HG2 GLU 37 OK 86 99 - 87 - ~8849=23, 2.1/10157=21...(19) QD2 LEU 38 + HG2 GLU 37 OK 34 99 - 34 - 4.5/1607=16, 2.1/8842=4...(8) QD1 LEU 70 + HG2 GLU 37 OK 33 90 - 37 - 3.1/11067=6, ~8837=5...(13) QG2 VAL 32 - HG3 GLU 62 OK 20 59 - 34 - 2.1/10157=8, ~10157=6...(8) QG2 VAL 32 - HG2 GLU 62 OK 20 59 - 34 - 2.1/10157=8, ~10157=6...(8) QD2 LEU 70 - HG2 GLU 37 OK 18 61 - 30 - 3.1/11067=6, ~8850=4...(10) QD1 LEU 57 - HG2 GLU 37 OK 12 100 - 12 - ~8837=2, ~9362=1, ~10215=1 QD2 LEU 103 - HG2 GLU 37 lone 9 100 - 9 - 2.1/8844=2, 6589/1607=1 QD2 LEU 38 - HG3 GLU 62 poor 8 60 - 14 - 4.5/6583=6 QD2 LEU 38 - HG2 GLU 62 poor 8 60 - 14 - 4.5/6583=6 QD2 LEU 2 - HG2 GLU 37 lone 5 65 - 8 - 2.1/8844=3 QD2 LEU 103 - HG3 GLU 62 lone 4 62 - 7 - 4.9/7554=2 QD2 LEU 103 - HG2 GLU 62 lone 4 62 - 7 - 4.9/7554=2 QD1 LEU 70 - HG2 GLU 62 lone 4 50 - 7 - QD1 LEU 70 - HG3 GLU 62 lone 4 50 - 7 - QG2 ILE 15 - HG2 GLU 37 lone 3 70 - 4 - QD1 LEU 57 - HG2 GLU 62 lone 3 62 - 4 - QD1 LEU 57 - HG3 GLU 62 lone 3 62 - 4 - QD2 LEU 2 - HG3 GLU 62 lone 2 34 - 6 - 2.1/8844=1 QD2 LEU 2 - HG2 GLU 62 lone 2 34 - 6 - 2.1/8844=1 QD2 LEU 70 - HG3 GLU 62 lone 2 31 - 6 - QD2 LEU 70 - HG2 GLU 62 lone 2 31 - 6 - QG2 ILE 15 - HG3 GLU 62 lone 1 36 - 2 - QG2 ILE 15 - HG2 GLU 62 lone 1 36 - 2 - Peak 8846 from cnoeabs.peaks (1.67, 2.11, 36.95 ppm; 4.77 A): 8 out of 13 assignments used, quality = 0.81: HB3 LYS 40 + HG3 GLU 37 OK 50 90 - 56 - 1794/3.9=13, 4.3/8880=12...(13) HG3 LYS 20 + HG3 GLU 37 OK 15 100 - 15 - 1.8/8847=2, 8841/1.8=2...(7) HB ILE 52 + HG3 GLU 37 OK 14 100 - 14 - ~8837=2, 8841/1.8=2...(7) HB3 ARG 91 + HG3 GLU 37 OK 14 92 - 15 - 1586/3.9=2, 8852/1614=2...(6) HD3 LYS 20 + HG3 GLU 37 OK 14 100 - 14 - 2.8/8847=2, 8841/1.8=2...(5) HD2 LYS 20 + HG3 GLU 37 OK 14 99 - 14 - 8841/1.8=2, 2.8/8847=2...(5) HD2 LYS 47 + HG3 GLU 37 OK 10 96 - 11 - 3.9/1610=2, 8841/1.8=1...(5) HD3 LYS 47 + HG3 GLU 37 OK 10 94 - 11 - 3.9/1610=2, 8841/1.8=1...(4) HB3 LYS 53 - HG3 GLU 37 poor 10 84 - 11 - 8841/1.8=1, 3.6/8847=1...(5) HD2 LYS 73 - HG3 GLU 37 lone 9 99 - 9 - 3292/5.0=2, 1586/3.9=1 HD3 LYS 73 - HG3 GLU 37 lone 8 97 - 8 - 3292/5.0=2 HD2 LYS 39 - HG3 GLU 37 lone 4 65 - 6 - 8852/1614=1, 8783/10535=1 HB3 ARG 79 - HG3 GLU 37 lone 1 65 - 2 - Peak 8847 from cnoeabs.peaks (1.46, 2.11, 36.95 ppm; 5.13 A): 4 out of 14 assignments used, quality = 0.95: HB2 LEU 38 + HG3 GLU 37 OK 53 94 - 57 - 3.8/1614=35, 12310/3.9=6...(10) HD2 LYS 40 + HG3 GLU 37 OK 52 100 - 52 - 3.0/8848=11, 3.5/8846=10...(12) HD3 LYS 40 + HG3 GLU 37 OK 52 100 - 52 - 3.0/8848=11, 3.5/8846=10...(12) HG LEU 38 + HG3 GLU 37 OK 50 99 - 51 - 5.3/1614=26, 2.1/8850=7...(9) HG2 LYS 20 - HG3 GLU 37 OK 19 97 - 20 - 1.8/8846=4, 2.8/8846=3...(6) HD2 LYS 53 - HG3 GLU 37 OK 17 99 - 17 - 12114/3.0=4, ~12115=2...(6) HG13 ILE 52 - HG3 GLU 37 OK 15 97 - 16 - 3.0/8846=3, 1642/1614=2...(6) HG2 LYS 53 - HG3 GLU 37 OK 15 100 - 15 - 3.0/8846=2, ~12114=2...(7) HG3 ARG 91 - HG3 GLU 37 OK 15 87 - 17 - 2.8/8846=3, 1642/1614=2...(8) HG3 LYS 53 - HG3 GLU 37 OK 14 99 - 14 - 3.0/8846=2, ~12114=2...(7) HG LEU 64 - HG3 GLU 37 OK 12 73 - 16 - 2.1/2844=2, 2.1/2836=2...(4) HD2 LYS 82 - HG3 GLU 37 lone 8 99 - 8 - HB2 LEU 27 - HG3 GLU 37 lone 6 97 - 6 - HG2 LYS 12 - HG3 GLU 37 lone 2 61 - 4 - Peak 8848 from cnoeabs.peaks (1.16, 2.11, 36.95 ppm; 5.19 A): 4 out of 5 assignments used, quality = 0.89: QG2 THR 34 + HG3 GLU 37 OK 60 90 - 67 - 4.0/8814=23, 8758=15...(10) HG2 LYS 40 + HG3 GLU 37 OK 54 98 - 55 - 8962/3.9=13, 2.9/8846=11...(11) HB2 LEU 6 + HG3 GLU 37 OK 28 73 - 38 - 4.0/8816=15, 8843/1.8=6...(8) HB2 LEU 29 + HG3 GLU 37 OK 14 99 - 14 - 8843/1.8=2, 8838/3.0=2...(6) HB3 LEU 3 - HG3 GLU 37 poor 9 81 - 11 - ~8097=2, 8838/3.0=1...(5) Peak 8849 from cnoeabs.peaks (0.90, 2.11, 36.95 ppm; 4.17 A): 2 out of 3 assignments used, quality = 0.90: QG1 VAL 32 + HG3 GLU 37 OK 86 99 - 87 - 8836/3.0=23, 8839/3.0=22...(19) HG13 ILE 7 + HG3 GLU 37 OK 30 92 - 32 - 8836/3.0=8, 8839/3.0=8...(10) HG13 ILE 8 - HG3 GLU 37 poor 8 73 - 10 - 8836/3.0=2, 8839/3.0=2...(4) Peak 8850 from cnoeabs.peaks (0.81, 2.11, 36.95 ppm; 4.86 A): 7 out of 11 assignments used, quality = 0.94: QG2 VAL 32 + HG3 GLU 37 OK 47 57 - 83 - 2.1/8849=31, ~8836=19...(14) QD2 LEU 38 + HG3 GLU 37 OK 41 90 - 46 - 4.5/1614=28, 8840/3.0=6...(7) QD1 LEU 70 + HG3 GLU 37 OK 39 99 - 39 - 8840/3.0=6, ~8837=5...(15) QD2 LEU 70 + HG3 GLU 37 OK 37 99 - 37 - 8840/3.0=6, ~11067=4...(15) QG2 ILE 7 + HG3 GLU 37 OK 26 84 - 31 - 3.2/8849=9, ~8844=5...(6) QD1 ILE 76 + HG3 GLU 37 OK 22 90 - 25 - ~8844=7, 8840/3.0=5...(6) QD2 LEU 2 + HG3 GLU 37 OK 10 100 - 10 - ~8844=2, 8840/3.0=1 QD1 LEU 57 - HG3 GLU 37 poor 9 73 - 13 - ~8837=2, 3.1/9362=1 QD2 LEU 57 - HG3 GLU 37 poor 8 73 - 10 - 8840/3.0=1, 3.1/9362=1, ~8845=1 QD2 LEU 103 - HG3 GLU 37 lone 8 77 - 10 - 6589/1614=2, ~8844=1 QG2 ILE 15 - HG3 GLU 37 lone 7 100 - 7 - 8840/3.0=1 Peak 8855 from cnoeabs.peaks (0.73, 3.87, 58.30 ppm; 4.06 A): 0 out of 9 assignments used, low quality = 0.39: QD1 LEU 64 - HA LEU 38 OK 21 87 - 24 - 2.1/1621=8, 2847/3.8=4...(6) HG13 ILE 56 - HA LEU 38 OK 13 77 - 17 - 8851/2.9=3, ~8851=3...(7) QG1 VAL 58 - HA LEU 38 OK 11 94 - 12 - 9382/3.0=4, 8851/2.9=2...(4) QD2 LEU 27 - HA LEU 38 lone 9 100 - 9 - 1214/3.0=1 HG13 ILE 93 - HA LEU 38 lone 7 81 - 8 - 3.2/12249=2, 3.0/10029=1 QG1 VAL 78 - HA LEU 38 lone 6 73 - 8 - 10906/3.8=2, ~8851=1 QG2 VAL 78 - HA LEU 38 lone 4 96 - 5 - 8851/2.9=2 QG1 VAL 5 - HA LEU 38 lone 4 100 - 4 - 8851/2.9=2 HG3 ARG 81 - HA LEU 38 lone 4 92 - 4 - 3.0/1624=2 Peak 8856 from cnoeabs.peaks (0.70, 1.46, 40.84 ppm; 4.34 A): 7 out of 9 assignments used, quality = 0.92: QD1 LEU 42 + HB2 LEU 38 OK 49 73 - 67 - ~8921=16, 8857/1.8=8...(18) QD1 ILE 52 + HB2 LEU 38 OK 49 92 - 53 - 8857/1.8=7, 2379=4...(29) QD1 ILE 8 + HB2 LEU 38 OK 25 99 - 26 - 8857/1.8=5, 8851/3.8=4...(8) QD1 ILE 56 + HB2 LEU 38 OK 25 100 - 26 - 8857/1.8=5, 8851/3.8=4...(9) HG13 ILE 56 + HB2 LEU 38 OK 21 92 - 23 - 8851/3.8=4, 8857/1.8=4...(9) QD2 LEU 14 + HB2 LEU 38 OK 20 99 - 20 - 8947/4.6=3, 8857/1.8=3...(5) QG1 VAL 58 + HB2 LEU 38 OK 12 73 - 16 - 9382/1.8=3, 8851/3.8=3...(6) QD2 LEU 6 - HB2 LEU 38 poor 9 65 - 13 - ~10231=4, 8857/1.8=1...(5) QG2 VAL 78 - HB2 LEU 38 poor 8 70 - 11 - ~10906=3, 8851/3.8=2...(4) Peak 8857 from cnoeabs.peaks (0.70, 2.07, 40.84 ppm; 4.62 A): 7 out of 9 assignments used, quality = 0.92: QD1 LEU 42 + HB3 LEU 38 OK 50 73 - 68 - ~8921=18, 8856/1.8=10...(16) QD1 ILE 52 + HB3 LEU 38 OK 43 92 - 47 - 8856/1.8=9, ~2370=4...(21) QD1 ILE 8 + HB3 LEU 38 OK 29 99 - 30 - 12202=5, 8856/1.8=5...(8) QD1 ILE 56 + HB3 LEU 38 OK 29 100 - 29 - 12202=6, 8856/1.8=5...(9) HG13 ILE 56 + HB3 LEU 38 OK 22 92 - 25 - 2.1/12202=5, 8851/3.8=4...(8) QD2 LEU 14 + HB3 LEU 38 OK 22 99 - 22 - 8947/4.6=4, 8856/1.8=4...(5) QG1 VAL 58 + HB3 LEU 38 OK 12 73 - 17 - 9382=3, 8851/3.8=3...(5) QD2 LEU 6 - HB3 LEU 38 poor 9 65 - 14 - ~10231=5, 8856/1.8=2...(5) QG2 VAL 78 - HB3 LEU 38 poor 9 70 - 13 - ~10906=3, 8851/3.8=2...(5) Peak 8860 from cnoeabs.peaks (6.83, 3.87, 58.30 ppm; 4.10 A): 2 out of 2 assignments used, quality = 0.78: HD1 TYR 41 + HA LEU 38 OK 53 100 - 53 - 3.7/1625=12, 5.4/1623=11...(14) HD2 TYR 41 + HA LEU 38 OK 53 100 - 53 - 3.7/1625=12, 5.3/1623=11...(14) Peak 8864 from cnoeabs.peaks (6.83, 1.68, 31.76 ppm; 5.53 A): 2 out of 2 assignments used, quality = 0.93: HD1 TYR 41 + HB3 LYS 40 OK 74 99 - 75 - 5.4/1805=21, 8865/2.9=20...(20) HD2 TYR 41 + HB3 LYS 40 OK 72 97 - 74 - 5.3/1805=22, 8865/2.9=20...(20) Peak 8865 from cnoeabs.peaks (6.83, 1.16, 24.65 ppm; 4.82 A): 2 out of 2 assignments used, quality = 0.90: HD1 TYR 41 + HG2 LYS 40 OK 68 100 - 68 - 4.2/10585=15...(19) HD2 TYR 41 + HG2 LYS 40 OK 68 100 - 68 - 4.3/10585=15...(19) Peak 8866 from cnoeabs.peaks (6.84, 1.47, 28.90 ppm; 5.27 A): 5 out of 15 assignments used, quality = 0.97: HE2 TYR 41 + HD3 LYS 40 OK 53 90 - 59 - ~8865=12, ~8959=10...(16) HE2 TYR 41 + HD2 LYS 40 OK 53 89 - 59 - ~8865=12, ~8959=10...(15) HE1 TYR 41 + HD3 LYS 40 OK 49 84 - 59 - ~8865=12, ~8959=10...(16) HE1 TYR 41 + HD2 LYS 40 OK 49 83 - 59 - ~8865=12, ~8959=10...(15) HD1 TYR 41 + HD2 LYS 40 OK 44 80 - 55 - 8864/3.5=13, 8865/3.0=11...(14) HD1 TYR 41 - HD3 LYS 40 OK 44 81 - 54 - 8864/3.5=13, 8865/3.0=11...(16) HD2 TYR 41 - HD3 LYS 40 OK 37 70 - 53 - 8864/3.5=12, 8865/3.0=11...(16) HD2 TYR 41 - HD2 LYS 40 OK 37 69 - 54 - 8864/3.5=12, 8865/3.0=11...(15) HE21 GLN 72 - HD3 LYS 40 lone 7 92 - 7 - ~9565=1 HE21 GLN 72 - HD2 LYS 40 lone 7 91 - 7 - ~9565=1 HD1 TYR 41 - HD2 LYS 82 lone 4 64 - 6 - HE2 TYR 41 - HD2 LYS 82 lone 3 72 - 5 - HE1 TYR 41 - HD2 LYS 82 lone 3 67 - 5 - HD2 TYR 41 - HD2 LYS 82 lone 3 54 - 6 - HE21 GLN 72 - HD2 LYS 82 lone 1 75 - 2 - Peak 8867 from cnoeabs.peaks (6.84, 2.77, 41.80 ppm; 4.56 A): 8 out of 10 assignments used, quality = 0.92: HD1 TYR 41 + HE3 LYS 40 OK 33 81 - 40 - 8864/4.8=8, 8865/4.0=7...(15) HD1 TYR 41 + HE2 LYS 40 OK 32 80 - 40 - 8864/4.8=8, 8865/4.0=7...(15) HD2 TYR 41 + HE3 LYS 40 OK 28 70 - 40 - 8864/4.8=7, 8865/4.0=7...(15) HD2 TYR 41 + HE2 LYS 40 OK 28 69 - 40 - 8864/4.8=7, 8865/4.0=7...(15) HE2 TYR 41 + HE3 LYS 40 OK 26 90 - 29 - 8900/1.8=4, 8961/7.1=4...(11) HE2 TYR 41 + HE2 LYS 40 OK 26 89 - 29 - 8900/1.8=4, 8961/7.1=4...(11) HE1 TYR 41 + HE3 LYS 40 OK 24 84 - 29 - 8900/1.8=4, 8900=4...(10) HE1 TYR 41 + HE2 LYS 40 OK 24 83 - 28 - 8900/1.8=4, 8961/7.1=4...(10) HE21 GLN 72 - HE3 LYS 40 lone 3 92 - 3 - HE21 GLN 72 - HE2 LYS 40 lone 3 91 - 3 - Peak 8871 from cnoeabs.peaks (0.78, 3.93, 59.76 ppm; 4.61 A): 4 out of 9 assignments used, quality = 0.97: QD1 LEU 6 + HA TYR 41 OK 75 97 - 78 - 8227/3.0=22, ~8229=17...(17) QD2 LEU 42 + HA TYR 41 OK 57 90 - 64 - 1943/3.6=17, 2.1/8872=9...(18) QG2 ILE 52 + HA TYR 41 OK 53 100 - 53 - 8873/3.0=7, 8876/3.0=7...(19) QG2 ILE 8 + HA TYR 41 OK 46 94 - 49 - 8869/3.0=8, 4.1/6110=8...(15) QD1 LEU 27 - HA TYR 41 OK 14 94 - 15 - 10135/8089=2...(5) QG1 VAL 54 - HA TYR 41 OK 13 73 - 18 - 6677/3.6=7, 8876/3.0=2...(5) QD1 ILE 93 - HA TYR 41 OK 12 96 - 13 - 6677/3.6=3, 8876/3.0=1...(4) QD1 ILE 15 - HA TYR 41 poor 7 65 - 11 - 10417=2, 6677/3.6=2, 8446/4.8=1 QD2 LEU 57 - HA TYR 41 lone 4 65 - 6 - 8869/3.0=1, 8873/3.0=1 Peak 8872 from cnoeabs.peaks (0.69, 3.93, 59.76 ppm; 4.97 A): 3 out of 5 assignments used, quality = 0.98: QD2 LEU 6 + HA TYR 41 OK 86 100 - 86 - 8229/3.0=30, ~8227=18...(19) QD1 LEU 42 + HA TYR 41 OK 73 100 - 73 - 1935/3.6=21...(21) QD1 ILE 52 + HA TYR 41 OK 58 94 - 61 - 8874/3.0=8, 6676/3.6=7...(24) QD1 LEU 14 - HA TYR 41 OK 40 96 - 41 - 10409=9, 6676/3.6=5...(15) QG2 VAL 58 - HA TYR 41 OK 24 92 - 26 - 10227=6, 2.1/10226=5...(6) Peak 8873 from cnoeabs.peaks (0.79, 2.31, 36.90 ppm; 3.97 A): 4 out of 8 assignments used, quality = 0.75: QD1 LEU 6 + HB2 TYR 41 OK 44 70 - 63 - ~8229=17, 8227/1.8=12...(15) QG2 ILE 52 + HB2 TYR 41 OK 32 94 - 34 - 2.1/10645=6, 3.1/9176=6...(9) QG2 ILE 8 + HB2 TYR 41 OK 22 100 - 22 - 8869/4.0=5, 4.1/1883=5...(6) QG2 ILE 7 + HB2 TYR 41 OK 17 90 - 19 - 8265/3.0=5, 8869/4.0=4...(5) QD1 ILE 76 - HB2 TYR 41 lone 7 84 - 8 - 8869/4.0=2, 9604/10280=2 QD2 LEU 57 - HB2 TYR 41 lone 5 96 - 5 - QD1 ILE 93 - HB2 TYR 41 lone 4 65 - 6 - 6677/4.1=1, 8876/1.8=1 QD1 LEU 27 - HB2 TYR 41 lone 3 61 - 5 - 8871/3.0=1 Peak 8874 from cnoeabs.peaks (0.69, 2.31, 36.90 ppm; 4.16 A): 3 out of 8 assignments used, quality = 0.95: QD2 LEU 6 + HB2 TYR 41 OK 78 99 - 79 - 8229/1.8=28, ~8227=17...(16) QD1 LEU 42 + HB2 TYR 41 OK 53 100 - 54 - 1935/4.1=13, 10594/1.8=9...(18) QD1 ILE 52 + HB2 TYR 41 OK 48 99 - 48 - 9176=10, 3.1/8873=8...(16) QD1 LEU 14 - HB2 TYR 41 OK 18 84 - 22 - 10409/3.0=5, 6676/4.1=3...(6) QD2 LEU 14 - HB2 TYR 41 OK 13 65 - 19 - ~10409=4, 8870/4.0=3...(7) QD1 ILE 8 - HB2 TYR 41 OK 12 61 - 20 - 3.0/8873=5, 8870/4.0=3...(6) QG2 VAL 58 - HB2 TYR 41 OK 10 77 - 13 - 10227/3.0=3, ~10226=2...(4) QD1 ILE 56 - HB2 TYR 41 lone 4 70 - 6 - 8870/4.0=1 Peak 8875 from cnoeabs.peaks (0.85, 2.64, 36.90 ppm; 4.71 A): 1 out of 3 assignments used, quality = 0.57: QD1 LEU 38 + HB3 TYR 41 OK 57 97 - 59 - 10548=19, 3.8/1625=15...(8) QD2 LEU 64 - HB3 TYR 41 lone 7 94 - 7 - 4.9/7056=3, 1621/1625=1 QD1 LEU 103 - HB3 TYR 41 lone 4 90 - 5 - 1621/1625=2 Peak 8876 from cnoeabs.peaks (0.78, 2.64, 36.90 ppm; 4.06 A): 5 out of 9 assignments used, quality = 0.92: QD1 LEU 6 + HB3 TYR 41 OK 72 97 - 75 - 8227=26, 2.1/8229=19...(14) QG2 ILE 52 + HB3 TYR 41 OK 38 100 - 38 - 8873/1.8=8, 3.1/8877=5...(12) QD2 LEU 42 + HB3 TYR 41 OK 36 90 - 41 - 4.7/6669=13, 2.1/8877=8...(9) QG2 ILE 8 + HB3 TYR 41 OK 22 94 - 23 - 8873/1.8=5, 8869/4.0=5...(7) QG1 VAL 54 + HB3 TYR 41 OK 10 73 - 14 - 6677/4.1=5, 9229/8889=4...(4) QD1 ILE 93 - HB3 TYR 41 lone 7 96 - 7 - 6677/4.1=2, 8871/3.0=1 QD1 LEU 27 - HB3 TYR 41 lone 5 94 - 6 - 8871/3.0=1 QD1 ILE 15 - HB3 TYR 41 lone 3 65 - 5 - 10417/3.0=1, 6677/4.1=1 QD2 LEU 57 - HB3 TYR 41 lone 3 65 - 5 - 8873/1.8=1 Peak 8877 from cnoeabs.peaks (0.69, 2.64, 36.90 ppm; 4.35 A): 3 out of 8 assignments used, quality = 0.96: QD2 LEU 6 + HB3 TYR 41 OK 83 99 - 84 - 8229=29, 2.1/8227=25...(17) QD1 LEU 42 + HB3 TYR 41 OK 60 100 - 60 - 4.7/6669=15, 10594=10...(18) QD1 ILE 52 + HB3 TYR 41 OK 46 99 - 46 - 9176/1.8=9, 3.1/8876=6...(15) QD1 LEU 14 - HB3 TYR 41 OK 20 84 - 23 - 10409/3.0=5, 6676/4.1=3...(7) QD2 LEU 14 - HB3 TYR 41 OK 14 65 - 22 - ~10409=4, 8870/4.0=3...(7) QD1 ILE 8 - HB3 TYR 41 OK 13 61 - 22 - ~8873=4, 3.0/8876=4...(6) QG2 VAL 58 - HB3 TYR 41 OK 11 77 - 14 - 10227/3.0=3, ~10226=2...(4) QD1 ILE 56 - HB3 TYR 41 lone 4 70 - 6 - 8870/4.0=1 Peak 8878 from cnoeabs.peaks (0.81, 6.83, 131.89 ppm; 4.88 A): 4 out of 22 assignments used, quality = 0.86: QG2 VAL 32 + HD1 TYR 41 OK 42 61 - 69 - 2.1/8939=22, ~14629=11...(13) QD2 LEU 38 + HD1 TYR 41 OK 42 90 - 46 - 2.1/12065=19...(9) QD2 LEU 38 + HD2 TYR 41 OK 35 77 - 46 - 2.1/12065=19...(9) QG2 VAL 32 + HD2 TYR 41 OK 35 50 - 69 - 2.1/8939=23, ~14629=11...(13) QD1 LEU 57 - HD1 TYR 41 poor 10 76 - 13 - 9342/2.5=5, 9342/4.9=3, ~8907=2 QD2 LEU 57 - HD1 TYR 41 poor 10 61 - 15 - ~9342=5, ~14627=3...(4) QG2 ILE 7 - HD1 TYR 41 poor 9 73 - 13 - 8265/4.2=4, ~8909=2...(5) QD1 LEU 70 - HD1 TYR 41 lone 9 98 - 9 - 3158/6670=2 QD2 LEU 70 - HD1 TYR 41 lone 9 95 - 9 - 3166/6670=3, 9541/8860=1 QD1 LEU 57 - HD2 TYR 41 poor 8 64 - 13 - 9342/2.5=5, 9342/4.9=3, ~8907=2 QD1 LEU 70 - HD2 TYR 41 lone 8 86 - 9 - 3158/6670=2 QG2 ILE 7 - HD2 TYR 41 poor 8 61 - 13 - 8265/4.3=4, ~8909=2...(5) QD2 LEU 57 - HD2 TYR 41 poor 8 50 - 15 - ~9342=5, ~8910=2...(4) QD2 LEU 70 - HD2 TYR 41 lone 7 83 - 9 - 3166/6670=2, 9541/8860=1 QD2 LEU 2 - HD1 TYR 41 lone 6 96 - 6 - QD1 ILE 76 - HD1 TYR 41 lone 6 80 - 7 - 10879/3.7=1 QD2 LEU 103 - HD1 TYR 41 lone 6 80 - 7 - 1663/12065=2, 1620/8860=1 QD2 LEU 2 - HD2 TYR 41 lone 5 84 - 6 - QD1 ILE 76 - HD2 TYR 41 lone 5 67 - 7 - 10879/3.7=1 QD2 LEU 103 - HD2 TYR 41 lone 5 67 - 7 - 1663/12065=2, 1620/8860=1 QG2 ILE 15 - HD1 TYR 41 lone 3 97 - 4 - QG2 ILE 15 - HD2 TYR 41 lone 3 85 - 3 - Peak 8879 from cnoeabs.peaks (0.69, 6.83, 131.89 ppm; 5.65 A): 4 out of 16 assignments used, quality = 0.99: QD2 LEU 6 + HD1 TYR 41 OK 82 97 - 84 - 8229/3.7=32, 8207=25...(16) QD2 LEU 6 + HD2 TYR 41 OK 71 85 - 84 - 8229/3.7=32, 8207=24...(15) QD1 LEU 42 + HD1 TYR 41 OK 55 98 - 57 - 4.7/6670=17...(12) QD1 LEU 42 + HD2 TYR 41 OK 48 86 - 56 - 4.7/6670=17...(12) QD1 ILE 52 - HD1 TYR 41 OK 36 97 - 37 - 9176/3.7=9, 8877/3.7=7...(9) QD1 ILE 52 - HD2 TYR 41 OK 31 85 - 37 - 9176/3.7=9, 8877/3.7=7...(9) QD1 LEU 14 - HD1 TYR 41 OK 23 80 - 28 - 10409/4.2=6, 8874/3.7=3...(11) QD1 LEU 14 - HD2 TYR 41 OK 18 67 - 27 - 10409/4.3=6, 8874/3.7=3...(12) QD2 LEU 14 - HD1 TYR 41 OK 13 61 - 22 - 8870/5.4=4, 8877/3.7=2...(9) QG2 VAL 58 - HD1 TYR 41 OK 11 73 - 15 - 10227/4.2=5, 8874/3.7=2...(4) QD2 LEU 14 - HD2 TYR 41 OK 11 50 - 21 - 8870/5.3=4, 8877/3.7=2...(10) QD1 ILE 8 - HD1 TYR 41 poor 10 58 - 17 - 8870/5.4=5, 8874/3.7=2...(5) QG2 VAL 58 - HD2 TYR 41 poor 9 61 - 15 - 10227/4.3=5, 8874/3.7=2...(4) QD1 ILE 8 - HD2 TYR 41 poor 8 47 - 16 - 8870/5.3=5, 8874/3.7=2...(5) QD1 ILE 56 - HD1 TYR 41 lone 6 65 - 9 - 8870/5.4=2, 8911/2.5=1 QD1 ILE 56 - HD2 TYR 41 lone 5 54 - 9 - 8870/5.3=2, 8911/2.5=1 Peak 8885 from cnoeabs.peaks (6.67, 3.93, 59.76 ppm; 5.64 A): 2 out of 2 assignments used, quality = 0.85: HD2 PHE 45 + HA TYR 41 OK 61 94 - 65 - 2.5/8886=18, ~8887=14...(15) HD1 PHE 45 + HA TYR 41 OK 61 94 - 64 - 2.5/8886=17...(15) Peak 8886 from cnoeabs.peaks (6.52, 3.93, 59.76 ppm; 5.99 A): 2 out of 2 assignments used, quality = 0.97: HE2 PHE 45 + HA TYR 41 OK 83 98 - 85 - ~8890=30, ~8889=27...(10) HE1 PHE 45 + HA TYR 41 OK 81 96 - 85 - ~8890=30, ~8889=27...(10) Peak 8887 from cnoeabs.peaks (6.52, 2.31, 36.90 ppm; 4.94 A): 2 out of 2 assignments used, quality = 0.84: HE2 PHE 45 + HB2 TYR 41 OK 62 87 - 72 - 2.5/8890=35, ~8889=23...(9) HE1 PHE 45 + HB2 TYR 41 OK 58 81 - 72 - 2.5/8890=35, ~8889=23...(9) Peak 8888 from cnoeabs.peaks (6.51, 2.64, 36.90 ppm; 5.66 A): 2 out of 2 assignments used, quality = 0.97: HE2 PHE 45 + HB3 TYR 41 OK 83 100 - 83 - 2.5/8889=38, ~8890=34...(8) HE1 PHE 45 + HB3 TYR 41 OK 82 100 - 82 - 2.5/8889=38, ~8890=34...(8) Peak 8889 from cnoeabs.peaks (6.15, 2.64, 36.90 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.75: HZ PHE 45 + HB3 TYR 41 OK 75 90 - 83 - 8890/1.8=39, 2.5/8888=19...(10) Peak 8890 from cnoeabs.peaks (6.14, 2.31, 36.90 ppm; 5.02 A): 1 out of 1 assignment used, quality = 0.77: HZ PHE 45 + HB2 TYR 41 OK 77 100 - 77 - 8889/1.8=27, 2.5/8887=19...(10) Peak 8891 from cnoeabs.peaks (7.63, 2.31, 36.90 ppm; 5.45 A): 3 out of 3 assignments used, quality = 0.86: H LYS 40 + HB2 TYR 41 OK 80 100 - 80 - 6644/4.0=33, 6664/4.1=26...(13) HE22 GLN 50 + HB2 TYR 41 OK 20 87 - 23 - 6644/4.0=7, 8892/1.8=6...(4) H GLU 48 + HB2 TYR 41 OK 14 57 - 24 - 8892/1.8=6, 6644/4.0=4...(5) Peak 8892 from cnoeabs.peaks (7.63, 2.64, 36.90 ppm; 5.85 A): 3 out of 3 assignments used, quality = 0.90: H LYS 40 + HB3 TYR 41 OK 83 100 - 83 - 6644/4.0=35, 8891/1.8=31...(12) H GLU 48 + HB3 TYR 41 OK 23 77 - 30 - 10621/3.0=6, 8891/1.8=5...(7) HE22 GLN 50 + HB3 TYR 41 OK 22 97 - 23 - 8891/1.8=8, 6644/4.0=7 Peak 8893 from cnoeabs.peaks (7.83, 6.83, 131.89 ppm; 6.27 A): 2 out of 8 assignments used, quality = 0.96: H TYR 41 + HD1 TYR 41 OK 85 85 - 100 - 5.4=100 H TYR 41 + HD2 TYR 41 OK 72 72 - 100 - 5.3=100 H ASN 26 - HD1 TYR 41 OK 14 95 - 14 - 1872/4.2=1, 1891/3.7=1...(4) H ASN 26 - HD2 TYR 41 OK 12 83 - 14 - 1872/4.3=1, 3.6/14603=1...(4) H LYS 73 - HD1 TYR 41 OK 11 94 - 12 - 1872/4.2=1, 1891/3.7=1 H LYS 73 - HD2 TYR 41 poor 9 81 - 11 - 1872/4.3=1, 1891/3.7=1 H LEU 3 - HD1 TYR 41 lone 7 88 - 8 - 4.0/14616=2 H LEU 3 - HD2 TYR 41 lone 5 75 - 7 - 4.0/14616=2 Peak 8894 from cnoeabs.peaks (7.80, 6.85, 118.20 ppm; 5.46 A): 6 out of 12 assignments used, quality = 0.87: HE ARG 30 + HE1 TYR 41 OK 48 79 - 62 - ~8709=15, 4.0/8703=15...(12) HE ARG 30 + HE2 TYR 41 OK 48 81 - 59 - 4.0/8703=14, ~8709=14...(12) H SER 9 + HE2 TYR 41 OK 18 96 - 19 - 6110/6.4=6, 10508/8703=2...(6) H SER 9 + HE1 TYR 41 OK 18 94 - 19 - 6110/6.4=6, 10508/8703=2...(6) H LYS 66 + HE1 TYR 41 OK 17 99 - 17 - 7067/5.4=3, 7061/6.4=3...(4) H LYS 66 + HE2 TYR 41 OK 17 100 - 17 - 7067/5.4=3, 7061/6.4=3 H GLU 28 - HE1 TYR 41 lone 5 98 - 6 - 10508/8703=1 H GLU 28 - HE2 TYR 41 lone 5 99 - 5 - 10508/8703=1 H LYS 20 - HE2 TYR 41 lone 3 90 - 3 - H LYS 20 - HE1 TYR 41 lone 3 88 - 3 - H GLU 99 - HE2 TYR 41 lone 2 94 - 2 - H GLU 99 - HE1 TYR 41 lone 2 92 - 2 - Peak 8895 from cnoeabs.peaks (3.91, 6.85, 118.20 ppm; 4.57 A): 2 out of 14 assignments used, quality = 0.68: HA TYR 41 + HE2 TYR 41 OK 44 61 - 72 - 6.4=36, 4.3/5513=16...(10) HA TYR 41 + HE1 TYR 41 OK 43 60 - 72 - 6.4=37, 4.2/5513=16...(10) HA ALA 89 - HE1 TYR 41 poor 10 96 - 10 - 9935/4.3=2, 9935=1, 2.1/14626=1 HA ALA 89 - HE2 TYR 41 lone 9 97 - 10 - 9935/4.3=2, 9935=1, 2.1/14626=1 HA GLU 63 - HE1 TYR 41 lone 9 97 - 9 - 2766/5.4=2, 3.8/8899=2 HA GLU 63 - HE2 TYR 41 lone 8 98 - 8 - 2766/5.4=2, 3.8/8899=1 HB3 SER 9 - HE2 TYR 41 lone 5 65 - 8 - 4.0/8894=2 HB3 SER 9 - HE1 TYR 41 lone 5 64 - 8 - 4.0/8894=2 HB2 SER 85 - HE1 TYR 41 lone 3 98 - 3 - HB2 SER 85 - HE2 TYR 41 lone 3 99 - 3 - HA3 GLY 101 - HE2 TYR 41 lone 2 77 - 2 - HA3 GLY 101 - HE1 TYR 41 lone 2 75 - 2 - HB2 SER 102 - HE2 TYR 41 lone 1 81 - 1 - HB2 SER 102 - HE1 TYR 41 lone 1 79 - 1 - Peak 8896 from cnoeabs.peaks (4.40, 6.85, 118.20 ppm; 4.77 A): 4 out of 12 assignments used, quality = 0.89: HA VAL 32 + HE2 TYR 41 OK 62 94 - 66 - 3.2/8909=13, ~8939=11...(14) HA VAL 32 + HE1 TYR 41 OK 61 92 - 66 - 3.2/8909=13, ~8939=11...(14) HA MET 74 + HE2 TYR 41 OK 14 100 - 14 - 3331/5.4=3, 3.0/8905=2...(6) HA MET 74 + HE1 TYR 41 OK 14 99 - 14 - 3331/5.4=3, 3.0/8905=2...(7) HA ALA 25 - HE2 TYR 41 lone 7 90 - 7 - HA ALA 25 - HE1 TYR 41 lone 6 88 - 7 - HA MET 21 - HE2 TYR 41 lone 5 94 - 6 - HA MET 21 - HE1 TYR 41 lone 5 92 - 6 - HA GLN 50 - HE1 TYR 41 lone 3 98 - 3 - HA GLN 50 - HE2 TYR 41 lone 3 99 - 3 - HA HIS 106 - HE2 TYR 41 lone 2 99 - 2 - HA HIS 106 - HE1 TYR 41 lone 2 98 - 2 - Peak 8897 from cnoeabs.peaks (3.08, 6.85, 118.20 ppm; 6.18 A): 4 out of 12 assignments used, quality = 0.95: HD3 ARG 30 + HE1 TYR 41 OK 74 96 - 78 - ~8709=22, 3.0/8703=20...(14) HD3 ARG 30 + HE2 TYR 41 OK 74 97 - 76 - ~8709=20, 3.0/8703=19...(14) HD3 ARG 79 + HE1 TYR 41 OK 10 99 - 11 - 1345/8703=2, 1327/8697=2 HD3 ARG 79 + HE2 TYR 41 OK 10 100 - 10 - 1345/8703=2, 1327/8697=2 HD2 ARG 79 - HE1 TYR 41 poor 10 98 - 10 - 1345/8703=2, 1327/8697=1 HD2 ARG 79 - HE2 TYR 41 lone 10 99 - 10 - 1345/8703=2, 1327/8697=1 HB3 ASN 26 - HE2 TYR 41 lone 3 92 - 4 - HB3 ASN 26 - HE1 TYR 41 lone 3 90 - 4 - HB3 ASN 60 - HE1 TYR 41 lone 3 64 - 4 - HB3 ASN 60 - HE2 TYR 41 lone 3 65 - 4 - HB3 HIS 105 - HE2 TYR 41 lone 2 87 - 2 - HB3 HIS 105 - HE1 TYR 41 lone 2 85 - 2 - Peak 8898 from cnoeabs.peaks (2.66, 6.85, 118.20 ppm; 4.88 A): 4 out of 10 assignments used, quality = 0.93: HB3 TYR 41 + HE2 TYR 41 OK 55 61 - 90 - 5.4=72, 3.7/5513=19...(10) HB3 TYR 41 + HE1 TYR 41 OK 54 60 - 90 - 5.4=72, 3.7/5513=19...(10) HD2 ARG 30 + HE1 TYR 41 OK 42 71 - 59 - 3.0/8703=15, 8709/2.5=12...(11) HD2 ARG 30 + HE2 TYR 41 OK 42 73 - 57 - 3.0/8703=14, 8709/2.5=11...(11) HD3 ARG 91 - HE1 TYR 41 lone 6 98 - 6 - 4.8/14610=1 HD3 ARG 91 - HE2 TYR 41 lone 5 99 - 5 - 4.8/14610=1 HB3 ASP 65 - HE2 TYR 41 lone 5 73 - 7 - 4.6/8894=2 HB3 ASP 65 - HE1 TYR 41 lone 5 71 - 7 - 4.6/8894=2 HB3 ASN 51 - HE2 TYR 41 lone 3 65 - 4 - HB3 ASN 51 - HE1 TYR 41 lone 3 64 - 5 - Peak 8899 from cnoeabs.peaks (2.29, 6.85, 118.20 ppm; 5.30 A): 4 out of 12 assignments used, quality = 0.87: HB2 TYR 41 + HE2 TYR 41 OK 59 61 - 97 - 5.4=92, 3.7/5513=20...(9) HB2 TYR 41 + HE1 TYR 41 OK 58 60 - 97 - 5.4=92, 3.7/5513=20...(8) HG2 GLU 63 + HE1 TYR 41 OK 13 99 - 13 - 3.8/14610=2, 2787/6.4=2...(5) HG2 GLU 63 + HE2 TYR 41 OK 11 100 - 11 - 2787/6.4=2, 9465/4.3=2...(4) HB2 GLU 48 - HE1 TYR 41 lone 8 99 - 8 - HB2 GLU 48 - HE2 TYR 41 lone 8 100 - 8 - HG3 GLU 16 - HE1 TYR 41 lone 6 99 - 6 - HG3 GLU 16 - HE2 TYR 41 lone 6 100 - 6 - HD3 ARG 81 - HE2 TYR 41 lone 5 84 - 6 - HD3 ARG 81 - HE1 TYR 41 lone 5 82 - 6 - HB2 TYR 4 - HE1 TYR 41 lone 3 98 - 3 - HB2 TYR 4 - HE2 TYR 41 lone 3 99 - 3 - Peak 8900 from cnoeabs.peaks (2.78, 6.85, 118.20 ppm; 6.03 A): 4 out of 4 assignments used, quality = 0.89: HE3 LYS 40 + HE2 TYR 41 OK 43 90 - 48 - 7.1/8961=7, 4.0/8908=6...(14) HE3 LYS 40 + HE1 TYR 41 OK 43 88 - 49 - 7.1/8961=7, ~8867=6...(14) HE2 LYS 40 + HE2 TYR 41 OK 42 87 - 48 - 7.1/8961=7, 4.0/8908=6...(14) HE2 LYS 40 + HE1 TYR 41 OK 42 85 - 49 - 7.1/8961=7, ~8867=6...(14) Peak 8901 from cnoeabs.peaks (3.85, 6.85, 118.20 ppm; 5.61 A): 4 out of 16 assignments used, quality = 0.73: HA LYS 40 + HE2 TYR 41 OK 41 65 - 63 - ~8864=12, 2.9/8961=11...(13) HA LYS 40 + HE1 TYR 41 OK 41 64 - 65 - ~8864=12, 2.9/8961=11...(14) HA ALA 67 + HE2 TYR 41 OK 12 97 - 12 - 14602/2.5=2, 2.1/14626=2...(5) HA ALA 67 + HE1 TYR 41 OK 12 96 - 12 - 14602/2.5=2, 2.1/14626=2...(5) HA ALA 71 - HE2 TYR 41 lone 9 100 - 9 - 9552/5.4=3, 14602/2.5=1 HA ALA 71 - HE1 TYR 41 lone 8 99 - 9 - 9552/5.4=3, 14602/2.5=1 HB3 SER 49 - HE2 TYR 41 lone 6 92 - 6 - 14602/2.5=1 HA LYS 94 - HE2 TYR 41 lone 6 61 - 9 - 14602/2.5=1, 3.7/14626=1 HA LYS 94 - HE1 TYR 41 lone 6 60 - 10 - 3.7/14626=1, 14602/2.5=1...(4) HB3 SER 49 - HE1 TYR 41 lone 6 90 - 6 - 14602/2.5=1 HA LYS 12 - HE2 TYR 41 lone 5 96 - 5 - HA LYS 12 - HE1 TYR 41 lone 5 94 - 5 - HA2 GLY 100 - HE2 TYR 41 lone 3 61 - 6 - 14602/2.5=1 HA2 GLY 100 - HE1 TYR 41 lone 3 60 - 6 - 14602/2.5=1 HA2 GLY 101 - HE2 TYR 41 lone 3 61 - 5 - 1.8/14610=1 HA2 GLY 101 - HE1 TYR 41 lone 3 60 - 5 - 1.8/14610=2 Peak 8903 from cnoeabs.peaks (2.02, 6.83, 131.89 ppm; 6.50 A): 12 out of 18 assignments used, quality = 0.94: HB2 GLU 44 + HD1 TYR 41 OK 29 65 - 44 - 3.9/8984=17, 1.8/8988=10...(8) HB3 GLU 44 + HD1 TYR 41 OK 29 65 - 44 - 3.9/8984=17, 1.8/8988=10...(8) QE MET 74 + HD1 TYR 41 OK 28 69 - 41 - 10280/3.7=12, 3371/3.7=7...(11) HB2 GLU 44 + HD2 TYR 41 OK 24 54 - 45 - 3.9/8984=16, 1.8/8988=9...(9) HB3 GLU 44 + HD2 TYR 41 OK 24 54 - 45 - 3.9/8984=16, 1.8/8988=9...(9) QE MET 74 + HD2 TYR 41 OK 23 57 - 40 - 10280/3.7=12, 3371/3.7=7...(11) HB2 GLU 62 + HD1 TYR 41 OK 19 98 - 20 - ~14621=4, ~14622=4...(6) HB2 GLU 62 + HD2 TYR 41 OK 16 86 - 19 - ~14621=4, ~14622=3...(6) HB3 LYS 94 + HD1 TYR 41 OK 15 96 - 16 - 10590/6670=2, ~14626=1...(8) HB2 GLU 35 + HD1 TYR 41 OK 14 88 - 16 - 10590/6670=3, ~14610=3...(5) HB3 LYS 94 + HD2 TYR 41 OK 13 84 - 15 - 10590/6670=2, ~14626=1...(7) HB2 GLU 35 + HD2 TYR 41 OK 11 75 - 15 - 10590/6670=3, ~14610=2...(5) HB2 GLN 50 - HD1 TYR 41 lone 9 95 - 9 - 10590/6670=1 HB2 GLN 50 - HD2 TYR 41 lone 8 83 - 9 - 10590/6670=1 HB3 GLU 17 - HD1 TYR 41 lone 6 85 - 7 - 10590/6670=1 HB3 GLU 17 - HD2 TYR 41 lone 5 72 - 6 - 10590/6670=1 HB3 MET 1 - HD1 TYR 41 lone 4 73 - 5 - HB3 MET 1 - HD2 TYR 41 lone 3 61 - 5 - Peak 8904 from cnoeabs.peaks (2.10, 6.85, 118.20 ppm; 4.90 A): 4 out of 18 assignments used, quality = 0.92: HG3 GLU 37 + HE2 TYR 41 OK 66 99 - 67 - 8815=22, 8815/4.3=12...(16) HG3 GLU 37 + HE1 TYR 41 OK 63 98 - 65 - 8815=21, 8815/4.3=13...(15) HB VAL 83 + HE1 TYR 41 OK 22 94 - 24 - 9777=9, 9777/4.3=6...(5) HB VAL 83 + HE2 TYR 41 OK 22 96 - 23 - 9777=9, 9777/4.3=6...(5) HB3 GLU 62 - HE1 TYR 41 poor 8 71 - 12 - 2.9/14621=3, 2.9/14621=3...(4) HB3 GLU 62 - HE2 TYR 41 poor 8 73 - 11 - 2.9/14621=2, 2.9/14621=2 QE MET 21 - HE2 TYR 41 lone 7 98 - 7 - HB2 LEU 64 - HE1 TYR 41 lone 7 94 - 7 - 8880/7.4=1 HB2 LEU 64 - HE2 TYR 41 lone 7 96 - 7 - 8880/7.4=1 QE MET 21 - HE1 TYR 41 lone 7 97 - 7 - HB3 PRO 86 - HE1 TYR 41 lone 6 99 - 6 - HB3 PRO 86 - HE2 TYR 41 lone 5 100 - 5 - HG3 GLU 104 - HE1 TYR 41 lone 3 96 - 3 - HG3 GLU 104 - HE2 TYR 41 lone 3 97 - 3 - HB2 GLU 23 - HE1 TYR 41 lone 3 64 - 4 - 2.9/14621=1 HB2 GLU 23 - HE2 TYR 41 lone 3 65 - 4 - 2.9/14621=1 HB2 PRO 86 - HE2 TYR 41 lone 3 77 - 3 - HB2 PRO 86 - HE1 TYR 41 lone 3 75 - 3 - Peak 8905 from cnoeabs.peaks (1.97, 6.85, 118.20 ppm; 4.82 A): 6 out of 20 assignments used, quality = 0.93: HB2 GLU 37 + HE2 TYR 41 OK 65 98 - 66 - 3.0/8815=16, 8809=14...(15) HB2 GLU 37 + HE1 TYR 41 OK 62 97 - 65 - 3.0/8815=16, 8809=12...(14) HB3 MET 74 + HE2 TYR 41 OK 16 94 - 17 - 3347/5.4=3, 3.0/8896=3...(8) HB3 MET 74 + HE1 TYR 41 OK 15 92 - 17 - 3347/5.4=3, 3.0/8896=2...(8) HB2 LYS 47 + HE2 TYR 41 OK 11 100 - 11 - 2133/6.4=3, 14612/2.5=2...(4) HB2 LYS 47 + HE1 TYR 41 OK 11 99 - 11 - 2133/6.4=3, 14612/2.5=2...(4) HB2 LYS 24 - HE2 TYR 41 lone 5 94 - 6 - 2.9/8907=1 HB3 LYS 24 - HE2 TYR 41 lone 5 94 - 6 - 2.9/8907=1 HB2 LYS 24 - HE1 TYR 41 lone 5 92 - 6 - 2.9/8907=1 HB3 LYS 24 - HE1 TYR 41 lone 5 92 - 6 - 2.9/8907=1 HB2 ARG 46 - HE2 TYR 41 lone 5 100 - 5 - HB2 ARG 46 - HE1 TYR 41 lone 5 99 - 5 - QE MET 1 - HE2 TYR 41 lone 5 99 - 5 - QE MET 1 - HE1 TYR 41 lone 4 98 - 4 - HB2 LYS 73 - HE2 TYR 41 lone 3 81 - 4 - HB2 LYS 73 - HE1 TYR 41 lone 3 79 - 4 - HB3 ARG 46 - HE2 TYR 41 lone 3 87 - 3 - HB3 LYS 73 - HE2 TYR 41 lone 3 77 - 4 - HB3 ARG 46 - HE1 TYR 41 lone 3 85 - 3 - HB3 LYS 73 - HE1 TYR 41 lone 3 75 - 4 - Peak 8906 from cnoeabs.peaks (1.60, 6.85, 118.20 ppm; 5.43 A): 2 out of 26 assignments used, quality = 0.89: HB2 ARG 30 + HE1 TYR 41 OK 68 98 - 69 - 2.9/8703=18, 8697=15...(13) HB2 ARG 30 + HE2 TYR 41 OK 66 99 - 67 - 2.9/8703=16, 8697=15...(13) HD3 LYS 94 - HE1 TYR 41 lone 10 99 - 10 - 3.0/14626=1 HD3 LYS 94 - HE2 TYR 41 lone 9 100 - 9 - 3.0/14626=1 HD2 LYS 66 - HE1 TYR 41 lone 9 99 - 9 - 6.1/8894=2, 2.9/8907=1 HB2 ARG 79 - HE1 TYR 41 lone 9 99 - 9 - 1340/8703=2, 3.8/8897=1 HD2 LYS 66 - HE2 TYR 41 lone 9 100 - 9 - 6.1/8894=2, 2.9/8907=1 HB2 ARG 79 - HE2 TYR 41 lone 9 100 - 9 - 1340/8703=1, 3.8/8897=1 HG LEU 27 - HE1 TYR 41 lone 6 99 - 6 - HG LEU 27 - HE2 TYR 41 lone 6 100 - 6 - HG3 LYS 73 - HE2 TYR 41 lone 6 100 - 6 - 1.8/8907=1 HG3 LYS 73 - HE1 TYR 41 lone 6 99 - 6 - 1.8/8907=1 HG2 LYS 24 - HE2 TYR 41 lone 6 87 - 7 - 1.8/8907=2 HB3 LEU 29 - HE1 TYR 41 lone 6 99 - 6 - ~14616=2 HB3 LEU 29 - HE2 TYR 41 lone 6 100 - 6 - ~14616=2 HG2 LYS 24 - HE1 TYR 41 lone 6 85 - 7 - 1.8/8907=1 HB2 LEU 103 - HE2 TYR 41 lone 4 84 - 5 - HB2 LEU 103 - HE1 TYR 41 lone 4 82 - 5 - HG3 LYS 12 - HE2 TYR 41 lone 4 99 - 4 - HG3 LYS 12 - HE1 TYR 41 lone 4 98 - 4 - HG LEU 103 - HE2 TYR 41 lone 4 73 - 5 - HG LEU 103 - HE1 TYR 41 lone 4 71 - 5 - HG3 LYS 90 - HE1 TYR 41 lone 3 79 - 4 - HG3 LYS 90 - HE2 TYR 41 lone 3 81 - 3 - HG2 ARG 19 - HE2 TYR 41 lone 2 84 - 3 - HG2 ARG 19 - HE1 TYR 41 lone 2 82 - 3 - Peak 8907 from cnoeabs.peaks (1.50, 6.85, 118.20 ppm; 5.46 A): 4 out of 22 assignments used, quality = 0.56: HG3 LYS 33 + HE1 TYR 41 OK 22 99 - 23 - 3.9/14608=11, 4.9/8743=10 HG3 LYS 33 + HE2 TYR 41 OK 21 100 - 21 - 3.9/14608=10, 4.9/8743=10 HG LEU 57 + HE1 TYR 41 OK 15 99 - 16 - 2.1/9342=9, ~14617=1, ~8878=1 HG LEU 57 + HE2 TYR 41 OK 15 100 - 15 - 2.1/9342=8, ~14617=1 HG2 LYS 47 - HE2 TYR 41 poor 9 90 - 11 - 10616/6.4=3, 3.0/8905=2 HG2 LYS 47 - HE1 TYR 41 poor 9 88 - 11 - 10616/6.4=3, 3.0/8905=2 HG3 LYS 66 - HE1 TYR 41 lone 7 92 - 7 - 4.8/8894=2, 2.9/8906=1 HG3 LYS 66 - HE2 TYR 41 lone 7 94 - 7 - 4.8/8894=2, 2.9/8906=1 HG3 LYS 24 - HE2 TYR 41 lone 7 98 - 7 - 1.8/14624=1 HG3 LYS 24 - HE1 TYR 41 lone 7 97 - 7 - 1.8/14624=1 HG2 LYS 66 - HE1 TYR 41 lone 6 88 - 7 - 4.8/8894=2, 2.9/8906=1 HG2 LYS 66 - HE2 TYR 41 lone 6 90 - 7 - 4.8/8894=2, 2.9/8906=1 HG2 LYS 73 - HE2 TYR 41 lone 6 92 - 6 - 10616/6.4=1 HG2 LYS 73 - HE1 TYR 41 lone 6 90 - 6 - 10616/6.4=1 HB3 LEU 64 - HE1 TYR 41 lone 5 85 - 6 - 1.8/8904=1 HB3 LEU 64 - HE2 TYR 41 lone 5 87 - 6 - 1.8/8904=1 HB2 ARG 91 - HE1 TYR 41 lone 5 71 - 7 - 3.0/14610=2 HG LEU 2 - HE1 TYR 41 lone 5 82 - 6 - HG LEU 2 - HE2 TYR 41 lone 5 84 - 6 - HB2 ARG 91 - HE2 TYR 41 lone 5 73 - 6 - 3.0/14610=2 HG3 LYS 13 - HE1 TYR 41 lone 4 98 - 4 - HG3 LYS 13 - HE2 TYR 41 lone 4 99 - 4 - Peak 8908 from cnoeabs.peaks (1.35, 6.85, 118.20 ppm; 5.76 A): 3 out of 24 assignments used, quality = 0.92: HG3 LYS 40 + HE2 TYR 41 OK 69 92 - 75 - ~8865=18, 8959/2.5=16...(17) HG3 LYS 40 + HE1 TYR 41 OK 68 90 - 75 - ~8865=18, 8959/2.5=16...(17) HG LEU 14 + HE1 TYR 41 OK 19 99 - 19 - 2.1/8911=3, 10586/6.4=2...(7) HG2 LYS 39 - HE2 TYR 41 OK 19 99 - 19 - 10572/5.4=5, 6649/7.4=3...(6) HG2 LYS 39 - HE1 TYR 41 OK 19 98 - 19 - 10572/5.4=5, 6649/7.4=3...(6) HG LEU 14 - HE2 TYR 41 OK 18 100 - 18 - 2.1/8911=3, 10586/6.4=2...(7) QB ALA 89 - HE1 TYR 41 OK 14 90 - 16 - 2.1/14610=7, 14615/2.5=1...(5) QB ALA 89 - HE2 TYR 41 OK 13 92 - 15 - 2.1/14610=6, 14615/2.5=1...(4) HG3 LYS 68 - HE2 TYR 41 OK 12 100 - 12 - 6649/7.4=2, 10586/6.4=2...(4) HG3 LYS 68 - HE1 TYR 41 OK 12 99 - 12 - 6649/7.4=2, 10586/6.4=2...(4) QB ALA 67 - HE2 TYR 41 OK 12 87 - 13 - 2.1/8901=3, 10336/8909=2...(5) HG12 ILE 8 - HE2 TYR 41 OK 11 81 - 14 - 10586/6.4=3, 6649/7.4=2...(4) QB ALA 67 - HE1 TYR 41 OK 11 85 - 13 - 2.1/8901=3, 10336/8909=2...(5) HG12 ILE 8 - HE1 TYR 41 OK 11 79 - 14 - 10586/6.4=3, 6649/7.4=2...(4) HG2 LYS 94 - HE2 TYR 41 OK 11 92 - 12 - 3.0/8906=1, 3.7/8901=1 QB ALA 25 - HE2 TYR 41 OK 11 92 - 12 - 2.1/8896=2, ~14603=1 HG2 LYS 94 - HE1 TYR 41 OK 11 90 - 12 - 3.0/8906=1, ~8903=1...(4) QB ALA 25 - HE1 TYR 41 OK 10 90 - 12 - 2.1/8896=2, ~14603=1 HB3 LEU 27 - HE2 TYR 41 lone 10 99 - 10 - HB3 LEU 27 - HE1 TYR 41 lone 10 98 - 10 - HB2 LYS 82 - HE2 TYR 41 lone 9 98 - 9 - 12220/9777=1 HB2 LYS 82 - HE1 TYR 41 lone 9 97 - 9 - 12220/9777=1 HB3 LEU 2 - HE1 TYR 41 lone 5 71 - 7 - 3.0/8907=1 HB3 LEU 2 - HE2 TYR 41 lone 5 73 - 6 - Peak 8909 from cnoeabs.peaks (0.91, 6.85, 118.20 ppm; 4.76 A): 4 out of 6 assignments used, quality = 0.95: QG1 VAL 32 + HE2 TYR 41 OK 74 100 - 74 - 8939/2.5=22, 8939/4.9=13...(17) QG1 VAL 32 + HE1 TYR 41 OK 73 99 - 74 - 8939/2.5=22, 8939/4.9=14...(17) HG13 ILE 7 + HE2 TYR 41 OK 14 87 - 16 - 8257/6.4=3, 8249/7.4=3...(5) HG13 ILE 7 + HE1 TYR 41 OK 14 85 - 16 - 8257/6.4=3, 8249/7.4=3...(5) HG13 ILE 8 - HE2 TYR 41 lone 4 65 - 7 - 2.1/8911=2 HG13 ILE 8 - HE1 TYR 41 lone 4 64 - 7 - 2.1/8911=2 Peak 8910 from cnoeabs.peaks (0.83, 6.85, 118.20 ppm; 3.80 A): 6 out of 14 assignments used, quality = 0.91: QG2 VAL 32 + HE2 TYR 41 OK 55 100 - 56 - 10152/2.5=15, 2.1/8909=9...(12) QG2 VAL 32 + HE1 TYR 41 OK 55 99 - 56 - 10152/2.5=15, 2.1/8909=9...(12) QD2 LEU 38 + HE2 TYR 41 OK 20 98 - 20 - ~12065=7, 14617/2.5=3...(6) QD2 LEU 38 + HE1 TYR 41 OK 19 97 - 20 - ~12065=7, 14617/2.5=3...(6) QD1 LEU 57 + HE1 TYR 41 OK 16 99 - 16 - 9342=7, 9342/4.3=3, 2.1/8907=1 QD1 LEU 57 + HE2 TYR 41 OK 16 100 - 16 - 9342=7, 9342/4.3=3, 2.1/8907=1 QD2 LEU 103 - HE1 TYR 41 lone 3 99 - 3 - QD2 LEU 103 - HE2 TYR 41 lone 3 100 - 3 - QD1 LEU 70 - HE2 TYR 41 lone 3 84 - 4 - QD1 LEU 70 - HE1 TYR 41 lone 3 82 - 4 - QD2 LEU 2 - HE2 TYR 41 lone 1 57 - 3 - QD2 LEU 2 - HE1 TYR 41 lone 1 56 - 3 - QG2 ILE 15 - HE2 TYR 41 lone 1 61 - 1 - QG2 ILE 15 - HE1 TYR 41 lone 1 60 - 1 - Peak 8911 from cnoeabs.peaks (0.70, 6.85, 118.20 ppm; 4.79 A): 8 out of 14 assignments used, quality = 0.89: QD2 LEU 6 + HE2 TYR 41 OK 41 81 - 51 - 8207/2.5=15, ~8210=14...(9) QD2 LEU 6 + HE1 TYR 41 OK 41 79 - 52 - 8207/2.5=15, ~8210=14...(9) QD1 LEU 42 + HE2 TYR 41 OK 20 87 - 23 - 10594/5.4=5, 8874/5.4=4...(6) QD1 LEU 42 + HE1 TYR 41 OK 20 85 - 24 - 10594/5.4=5, 8874/5.4=4...(6) QD1 ILE 52 + HE2 TYR 41 OK 19 98 - 19 - 9176/5.4=5, 8877/5.4=3...(7) QD1 ILE 52 + HE1 TYR 41 OK 19 97 - 19 - 9176/5.4=5, 8877/5.4=3...(7) QD2 LEU 14 + HE2 TYR 41 OK 14 96 - 15 - 8870/7.4=2, 10408/6.4=1...(7) QD2 LEU 14 + HE1 TYR 41 OK 14 94 - 15 - 8870/7.4=2, 10408/6.4=1...(7) QD1 ILE 8 - HE2 TYR 41 poor 10 94 - 11 - 8870/7.4=2 QD1 ILE 8 - HE1 TYR 41 poor 10 92 - 11 - 8870/7.4=2 QD1 ILE 56 - HE1 TYR 41 lone 7 96 - 7 - QD1 ILE 56 - HE2 TYR 41 lone 7 97 - 7 - HG13 ILE 56 - HE2 TYR 41 lone 4 81 - 4 - HG13 ILE 56 - HE1 TYR 41 lone 4 79 - 4 - Peak 8915 from cnoeabs.peaks (1.44, 1.81, 40.51 ppm; 4.95 A): 2 out of 8 assignments used, quality = 0.95: HG13 ILE 76 + HB2 LEU 42 OK 78 100 - 78 - 10285/1.8=14, ~10884=13...(16) HG3 LYS 39 + HB2 LEU 42 OK 77 98 - 79 - 3.9/1909=32, 8918/1.8=11...(20) HG12 ILE 7 - HB2 LEU 42 OK 31 90 - 35 - 8913/4.0=7, 1.8/8285=6...(8) HG2 LYS 13 - HB2 LEU 42 OK 21 99 - 21 - 8918/1.8=3, 8913/4.0=2...(7) HG2 LYS 12 - HB2 LEU 42 OK 15 92 - 16 - 3.7/8969=2, 1671/1909=2...(5) QB ALA 22 - HB2 LEU 42 OK 14 100 - 14 - 8918/1.8=3, 10327/4164=1...(4) HG LEU 29 - HB2 LEU 42 OK 10 100 - 11 - 8918/1.8=2 HG3 ARG 91 - HB2 LEU 42 lone 5 70 - 7 - 4.8/7433=2 Peak 8916 from cnoeabs.peaks (2.00, 1.81, 40.51 ppm; 4.37 A): 4 out of 7 assignments used, quality = 0.95: QE MET 74 + HB2 LEU 42 OK 81 100 - 81 - 9605/3.1=20, 9587/4.0=15...(21) HB2 GLU 35 + HB2 LEU 42 OK 36 99 - 37 - 1540/4.6=8, 4.7/1917=5...(11) HB3 GLU 44 + HB2 LEU 42 OK 33 100 - 33 - 10342/3.1=5, 10339/1.8=4...(11) HB2 GLU 44 + HB2 LEU 42 OK 33 100 - 33 - 10342/3.1=5, 10339/1.8=4...(11) HB3 GLU 17 - HB2 LEU 42 OK 29 99 - 29 - ~12026=7, 10342/3.1=4...(10) HB3 MET 1 - HB2 LEU 42 OK 21 100 - 21 - ~8015=5, 10339/1.8=4...(6) HB2 GLU 62 - HB2 LEU 42 lone 8 84 - 9 - ~10345=2, 10590/4.0=1 Peak 8917 from cnoeabs.peaks (2.62, 1.81, 40.51 ppm; 5.98 A): 3 out of 3 assignments used, quality = 0.95: HG3 MET 74 + HB2 LEU 42 OK 88 99 - 89 - 10595/3.1=36...(16) HB3 TYR 41 + HB2 LEU 42 OK 38 61 - 63 - 4.1/6673=22...(11) HB3 ASP 77 + HB2 LEU 42 OK 24 73 - 33 - ~10601=7, 10595/3.1=6...(8) Peak 8918 from cnoeabs.peaks (1.43, 1.30, 40.51 ppm; 5.02 A): 3 out of 7 assignments used, quality = 0.95: HG13 ILE 76 + HB3 LEU 42 OK 77 98 - 79 - 3.0/10884=18...(17) HG3 LYS 39 + HB3 LEU 42 OK 65 90 - 73 - 3.9/1918=31, 8915/1.8=12...(15) HG12 ILE 7 + HB3 LEU 42 OK 35 98 - 35 - 8913/4.0=8, ~8285=5...(9) HG2 LYS 13 - HB3 LEU 42 OK 19 100 - 18 - 8915/1.8=3, 8913/4.0=3...(5) QB ALA 22 - HB3 LEU 42 OK 16 99 - 16 - 8588/8561=3, 8915/1.8=2...(4) HG LEU 29 - HB3 LEU 42 OK 13 99 - 13 - 5.0/8665=3, 1294/6485=2...(4) HG2 LYS 12 - HB3 LEU 42 poor 9 77 - 12 - 8915/1.8=2, 3.7/8970=2 Peak 8919 from cnoeabs.peaks (2.63, 1.30, 40.51 ppm; 5.49 A): 4 out of 4 assignments used, quality = 0.93: HG3 MET 74 + HB3 LEU 42 OK 72 90 - 81 - 9599/3.1=21...(14) HB3 TYR 41 + HB3 LEU 42 OK 61 99 - 61 - 6669/4.0=25...(12) HB3 ASP 77 + HB3 LEU 42 OK 30 100 - 30 - ~10601=6, 10594/3.1=6...(8) HB3 ASP 65 + HB3 LEU 42 OK 13 97 - 14 - 9488/4.6=4, 6669/4.0=3...(4) Peak 8920 from cnoeabs.peaks (1.47, 1.90, 26.36 ppm; 4.81 A): 3 out of 13 assignments used, quality = 0.97: HG LEU 38 + HG LEU 42 OK 70 97 - 73 - 2.1/8921=36, 12082/2.1=8...(14) HG13 ILE 52 + HG LEU 42 OK 69 94 - 73 - ~10599=24, 2.1/1932=10...(18) HB2 LEU 38 + HG LEU 42 OK 66 90 - 73 - 3.1/8921=31, 12082/2.1=8...(16) HD2 LYS 82 - HG LEU 42 OK 25 97 - 25 - ~10599=6, ~9768=4...(7) HD2 LYS 40 - HG LEU 42 OK 20 100 - 20 - 5.2/1780=5, 8964/4.3=3...(7) HD3 LYS 40 - HG LEU 42 OK 20 100 - 20 - 5.2/1780=5, 8964/4.3=3...(7) HG2 LYS 20 - HG LEU 42 OK 19 94 - 20 - 1.8/895=2, 12083/2.1=2...(10) HB2 LEU 27 - HG LEU 42 OK 15 94 - 16 - 12083/2.1=3, 12082/2.1=2...(6) HG LEU 64 - HG LEU 42 OK 14 81 - 18 - 2.1/8921=7, ~9477=3...(5) HG2 LYS 53 - HG LEU 42 OK 11 100 - 11 - ~9187=2, 12083/2.1=2...(4) HG3 LYS 53 - HG LEU 42 OK 11 100 - 11 - ~9187=2, 12083/2.1=1...(5) HD2 LYS 53 - HG LEU 42 lone 8 97 - 8 - 12083/2.1=1 HG3 ARG 91 - HG LEU 42 lone 5 81 - 7 - Peak 8921 from cnoeabs.peaks (0.85, 1.90, 26.36 ppm; 4.00 A): 1 out of 3 assignments used, quality = 0.52: QD1 LEU 38 + HG LEU 42 OK 52 97 - 54 - 12068=15, 2.1/12069=6...(16) QD2 LEU 64 - HG LEU 42 lone 9 94 - 10 - ~9477=2, ~9474=2, 2.1/8920=1 QD1 LEU 103 - HG LEU 42 lone 4 90 - 4 - Peak 8922 from cnoeabs.peaks (0.87, 1.81, 40.51 ppm; 5.19 A): 5 out of 6 assignments used, quality = 0.93: QG2 ILE 76 + HB2 LEU 42 OK 66 81 - 82 - ~10884=17, 10592/3.0=16...(16) QD1 LEU 38 + HB2 LEU 42 OK 62 94 - 66 - 8921/3.0=18...(16) HG13 ILE 8 + HB2 LEU 42 OK 18 65 - 27 - 10592/3.0=5, 8912/4.0=5...(10) QD2 LEU 64 + HB2 LEU 42 OK 17 97 - 18 - 8921/3.0=3, ~9477=3...(6) QD1 LEU 2 + HB2 LEU 42 OK 14 84 - 16 - 8912/4.0=5, 10592/3.0=3 QD1 LEU 103 - HB2 LEU 42 lone 10 99 - 10 - 6602/6604=1, 8921/3.0=1...(4) Peak 8923 from cnoeabs.peaks (2.98, 0.77, 21.93 ppm; 4.84 A): 3 out of 11 assignments used, quality = 0.88: HB2 PHE 45 + QD2 LEU 42 OK 64 96 - 67 - 3.7/10600=19...(12) HB3 PHE 45 + QD2 LEU 42 OK 62 96 - 65 - 3.7/10600=19...(13) HE3 LYS 12 + QD2 LEU 42 OK 11 92 - 12 - 1.8/10392=3, 6.3/8924=2, 10393=1 HB3 ASP 11 - QD2 LEU 42 poor 10 61 - 16 - 4.0/10389=2, ~8362=2...(7) HE2 LYS 13 - QD2 LEU 42 poor 9 77 - 11 - 3.8/10852=2, ~8971=1, 1908/4.0=1 HE2 LYS 47 - QD2 LEU 42 lone 8 100 - 8 - 4.9/10341=1, 1907/4.0=1 HE3 LYS 47 - QD2 LEU 42 lone 8 100 - 8 - 4.9/10341=1, 1907/4.0=1 HB2 SER 9 - QD2 LEU 42 poor 8 73 - 10 - 1907/4.0=2, 1.8/8329=2 HE3 LYS 13 - QD2 LEU 42 poor 8 70 - 11 - 3.8/10852=2, ~8971=1, 1908/4.0=1 HE2 LYS 24 - QD2 LEU 42 lone 7 84 - 9 - 4.9/10341=1, 4.9/10341=1 HE3 LYS 24 - QD2 LEU 42 lone 7 84 - 9 - 4.9/10341=1, 4.9/10341=1 Peak 8924 from cnoeabs.peaks (3.85, 0.77, 21.93 ppm; 4.02 A): 7 out of 8 assignments used, quality = 0.85: HA LYS 40 + QD2 LEU 42 OK 31 87 - 36 - 1780/2.1=7, 10552/4.0=6...(9) HB3 SER 49 + QD2 LEU 42 OK 29 99 - 30 - 9072=7, 9073/2.1=4...(8) HA2 GLY 100 + QD2 LEU 42 OK 28 84 - 33 - 1.8/1944=8, ~1936=5...(10) HA ALA 71 + QD2 LEU 42 OK 23 97 - 23 - ~10414=5, 9552/10595=4...(7) HA LYS 94 + QD2 LEU 42 OK 19 84 - 23 - ~10414=4, 3.0/7511=4...(7) HA ALA 67 + QD2 LEU 42 OK 19 100 - 19 - 3.6/1950=5, 2978/4.7=4...(7) HA LYS 12 + QD2 LEU 42 OK 15 100 - 15 - 8381=3, 8969/3.1=1, 8970/3.1=1 HA2 GLY 101 - QD2 LEU 42 lone 6 84 - 7 - 8969/3.1=1, 8970/3.1=1 Peak 8927 from cnoeabs.peaks (6.54, 3.70, 58.24 ppm; 5.90 A): 0 out of 0 assignments used, low quality = 0.00: Peak 8928 from cnoeabs.peaks (6.67, 3.70, 58.24 ppm; 3.93 A): 2 out of 2 assignments used, quality = 0.66: HD1 PHE 45 + HA LEU 42 OK 41 87 - 48 - 10600/4.0=12...(13) HD2 PHE 45 + HA LEU 42 OK 41 87 - 48 - 10600/4.0=12...(13) Peak 8933 from cnoeabs.peaks (3.72, 0.86, 23.57 ppm; 5.54 A): 3 out of 3 assignments used, quality = 0.76: HA GLU 37 + QD1 LEU 38 OK 54 81 - 67 - 3.6/1658=41, 3.0/8832=12...(14) HA LEU 42 + QD1 LEU 38 OK 37 65 - 56 - 4.3/8921=29, 3.0/8922=11...(11) HA3 GLY 100 + QD1 LEU 38 OK 19 97 - 19 - 6580/4.5=4, 4440/3.8=2...(8) Peak 8934 from cnoeabs.peaks (3.86, 0.91, 23.40 ppm; 3.38 A): 4 out of 9 assignments used, quality = 0.76: HA LEU 38 + QG1 VAL 32 OK 42 87 - 48 - 2.9/8932=22, 10162/2.1=9...(11) HA ALA 67 + QG1 VAL 32 OK 34 96 - 36 - 2.1/10336=7, 9524/2.1=6...(9) HA LYS 40 + QG1 VAL 32 OK 29 100 - 29 - 3.8/8943=7, 3.0/8946=5...(10) HA LYS 94 + QG1 VAL 32 OK 11 99 - 11 - 10162/2.1=2, 3.7/10336=2 HB3 SER 49 - QG1 VAL 32 lone 7 99 - 7 - 3.9/8936=2 HA2 GLY 100 - QG1 VAL 32 lone 5 99 - 5 - 1.8/8935=2 HA LYS 12 - QG1 VAL 32 lone 3 97 - 3 - HA ALA 71 - QG1 VAL 32 lone 2 73 - 3 - HA2 GLY 101 - QG1 VAL 32 lone 2 99 - 2 - Peak 8935 from cnoeabs.peaks (3.70, 0.91, 23.40 ppm; 5.03 A): 2 out of 3 assignments used, quality = 0.95: HA GLU 37 + QG1 VAL 32 OK 92 99 - 93 - 3.6/8937=35, 3.0/8831=32...(19) HA LEU 42 + QG1 VAL 32 OK 34 100 - 34 - 6580/8932=5...(11) HA3 GLY 100 - QG1 VAL 32 OK 15 90 - 17 - 6580/8932=2, 1.8/8934=2...(9) Peak 8936 from cnoeabs.peaks (7.72, 0.91, 23.40 ppm; 4.66 A): 3 out of 5 assignments used, quality = 0.63: H GLU 37 + QG1 VAL 32 OK 51 61 - 83 - 4.6/8937=25, 4.1/8836=22...(11) H ALA 25 + QG1 VAL 32 OK 17 87 - 20 - 2.9/10336=5, 3.0/1402=4...(6) H SER 49 + QG1 VAL 32 OK 11 100 - 11 - 3.9/8934=2, ~9075=2...(4) H LEU 64 - QG1 VAL 32 lone 6 99 - 6 - H ASN 60 - QG1 VAL 32 lone 5 96 - 6 - Peak 8937 from cnoeabs.peaks (7.54, 0.91, 23.40 ppm; 3.53 A): 1 out of 3 assignments used, quality = 0.70: H LEU 38 + QG1 VAL 32 OK 70 92 - 77 - 8932=33, 4.6/8831=11...(16) H LEU 14 - QG1 VAL 32 poor 9 90 - 10 - 4.8/8942=4, 4.9/10336=2...(4) H ILE 76 - QG1 VAL 32 lone 3 61 - 6 - 3.0/1402=1 Peak 8938 from cnoeabs.peaks (7.24, 0.91, 23.40 ppm; 3.57 A): 2 out of 2 assignments used, quality = 0.84: H THR 34 + QG1 VAL 32 OK 80 100 - 80 - 8749=44, 6528/4.1=18...(14) HH2 TRP 92 + QG1 VAL 32 OK 20 99 - 20 - 6528/4.1=5, 10149/3.2=4...(8) Peak 8939 from cnoeabs.peaks (6.83, 0.91, 23.40 ppm; 3.87 A): 2 out of 2 assignments used, quality = 0.86: HD2 TYR 41 + QG1 VAL 32 OK 64 100 - 64 - 10152/2.1=14, 14619=11...(19) HD1 TYR 41 + QG1 VAL 32 OK 62 100 - 63 - 10152/2.1=15, 14619=11...(19) Peak 8942 from cnoeabs.peaks (0.67, 0.91, 23.40 ppm; 3.77 A): 0 out of 6 assignments used, low quality = 0.38: QD2 LEU 6 - QG1 VAL 32 OK 24 73 - 33 - ~10337=8, ~10229=7...(8) QD1 LEU 14 - QG1 VAL 32 OK 18 97 - 19 - 2.1/10336=4, ~10518=3...(6) QD1 LEU 29 - QG1 VAL 32 lone 6 70 - 9 - 3.1/8943=3, 3.1/8945=2 QG2 VAL 54 - QG1 VAL 32 lone 6 73 - 8 - 9235/10519=2, 2.1/9233=1...(4) QD1 LEU 42 - QG1 VAL 32 lone 6 65 - 9 - 4.0/8935=4 QG2 VAL 58 - QG1 VAL 32 lone 6 99 - 6 - ~10518=1 Peak 8943 from cnoeabs.peaks (1.16, 0.91, 23.40 ppm; 3.98 A): 4 out of 5 assignments used, quality = 0.79: HG2 LYS 40 + QG1 VAL 32 OK 49 100 - 49 - 2.9/8946=7, 1.8/10336=6...(15) QG2 THR 34 + QG1 VAL 32 OK 39 77 - 50 - 4.0/8749=25, 8745/4.1=9...(10) QG2 THR 31 + QG1 VAL 32 OK 21 61 - 34 - 4.0/6510=19, ~10165=8...(4) HB2 LEU 29 + QG1 VAL 32 OK 14 100 - 14 - 3.1/8942=3, 1.8/8945=3...(4) HB3 LEU 3 - QG1 VAL 32 lone 8 92 - 8 - 10365/4.0=3, 8745/4.1=1 Peak 8944 from cnoeabs.peaks (1.46, 0.91, 23.40 ppm; 3.15 A): 6 out of 14 assignments used, quality = 0.82: HB2 LEU 38 + QG1 VAL 32 OK 41 100 - 41 - 3.8/8932=14, 3.0/8934=7...(9) HG LEU 38 + QG1 VAL 32 OK 32 100 - 32 - 5.3/8937=8, 2.1/1405=6...(10) HD2 LYS 40 + QG1 VAL 32 OK 24 96 - 26 - 3.0/8943=7, 3.5/8946=4...(8) HD3 LYS 40 + QG1 VAL 32 OK 24 94 - 26 - 3.0/8943=7, 3.5/8946=4...(8) HG2 LYS 20 + QG1 VAL 32 OK 14 100 - 14 - 3.0/1403=2, 1.8/8946=2...(5) HG13 ILE 52 + QG1 VAL 32 OK 10 100 - 10 - 3.0/8946=2, 2373/4.0=1...(4) HD2 LYS 53 - QG1 VAL 32 lone 5 100 - 5 - 2447/4.0=1 HG2 LYS 53 - QG1 VAL 32 lone 5 97 - 5 - 3.0/8946=1 HD2 LYS 82 - QG1 VAL 32 lone 5 100 - 5 - 1.8/8945=1 HG3 LYS 53 - QG1 VAL 32 lone 4 87 - 5 - 3.0/8946=1 HG3 ARG 91 - QG1 VAL 32 lone 4 99 - 4 - HB2 LEU 27 - QG1 VAL 32 lone 4 100 - 4 - HG3 LYS 39 - QG1 VAL 32 lone 4 77 - 5 - 1.8/10336=1 HG2 LYS 12 - QG1 VAL 32 lone 2 90 - 3 - Peak 8945 from cnoeabs.peaks (1.58, 0.91, 23.40 ppm; 4.36 A): 3 out of 9 assignments used, quality = 0.49: HB2 LEU 103 + QG1 VAL 32 OK 25 97 - 26 - 4479/2.1=5, 3.1/1405=4...(10) HG LEU 103 + QG1 VAL 32 OK 24 99 - 25 - 4495/2.1=5, 2.1/1405=4...(9) HG2 LYS 24 + QG1 VAL 32 OK 10 96 - 11 - ~10145=2, ~8595=1...(4) HG2 ARG 19 - QG1 VAL 32 poor 10 97 - 10 - 3.0/1403=2, 811/2.1=2, ~820=1 HB3 LEU 29 - QG1 VAL 32 poor 8 65 - 12 - 1.8/8943=5, 3.1/8942=3, ~10337=2 HD3 LYS 82 - QG1 VAL 32 lone 7 87 - 8 - 3.5/10336=1, 1.8/8944=1 HG3 LYS 12 - QG1 VAL 32 lone 3 73 - 4 - HG3 LYS 90 - QG1 VAL 32 lone 3 98 - 3 - HB3 GLU 28 - QG1 VAL 32 lone 1 77 - 1 - Peak 8946 from cnoeabs.peaks (1.68, 0.91, 23.40 ppm; 4.34 A): 6 out of 16 assignments used, quality = 0.83: HB3 LYS 40 + QG1 VAL 32 OK 56 99 - 57 - 2.9/8943=13, 3.0/8934=8...(16) HG3 LYS 20 + QG1 VAL 32 OK 22 99 - 22 - 1.8/8944=4, 3.0/1403=4...(6) HB ILE 52 + QG1 VAL 32 OK 20 96 - 21 - 2349/4.0=3, 3.8/9153=3...(8) HD2 LYS 20 + QG1 VAL 32 OK 17 100 - 17 - 2.8/8944=3, 3.5/1403=3...(5) HD3 LYS 20 + QG1 VAL 32 OK 16 99 - 16 - 2.8/8944=3, 3.5/1403=3...(5) HB3 LYS 53 + QG1 VAL 32 OK 13 97 - 13 - 2414/4.0=2, 3.9/1401=2...(5) HG2 PRO 86 - QG1 VAL 32 poor 9 81 - 11 - 2.3/10156=3, ~10158=2, ~10155=2 HB3 ARG 91 - QG1 VAL 32 lone 8 99 - 8 - 8852/8932=1 HD2 LYS 73 - QG1 VAL 32 lone 7 90 - 8 - HD3 LYS 73 - QG1 VAL 32 lone 6 84 - 7 - HD2 LYS 24 - QG1 VAL 32 lone 6 70 - 9 - 3.0/8945=4, ~10145=1 HD3 LYS 24 - QG1 VAL 32 lone 6 65 - 9 - 3.0/8945=4, ~10145=1 HD2 LYS 47 - QG1 VAL 32 lone 5 100 - 5 - HD3 LYS 47 - QG1 VAL 32 lone 5 100 - 5 - HG12 ILE 15 - QG1 VAL 32 lone 2 77 - 3 - HD3 LYS 90 - QG1 VAL 32 lone 2 65 - 3 - Peak 8950 from cnoeabs.peaks (3.86, 3.61, 60.29 ppm; 4.77 A): 3 out of 9 assignments used, quality = 0.98: HA LYS 40 + HA LYS 39 OK 86 100 - 86 - 3.6/6643=27, ~6612=17...(27) HA LEU 38 + HA LYS 39 OK 74 87 - 85 - 2.9/10547=30, ~6596=22...(27) HA LYS 12 + HA LYS 39 OK 58 97 - 60 - 3.0/1692=9, 3.0/1692=9...(20) HA ALA 67 - HA LYS 39 OK 32 96 - 33 - 3.6/10557=6, 2978/6663=3...(15) HA LYS 94 - HA LYS 39 OK 30 99 - 30 - 9541/10822=3, 4174/3.9=3...(14) HA2 GLY 100 - HA LYS 39 OK 20 99 - 20 - 6628/3.6=4, ~6595=3...(7) HB3 SER 49 - HA LYS 39 OK 18 99 - 18 - 9080/3.6=4, 9073/8966=2...(4) HA ALA 71 - HA LYS 39 OK 12 73 - 17 - 2978/6663=2...(6) HA2 GLY 101 - HA LYS 39 lone 10 99 - 10 - Peak 8951 from cnoeabs.peaks (2.00, 3.61, 60.29 ppm; 4.33 A): 6 out of 8 assignments used, quality = 0.94: QE MET 74 + HA LYS 39 OK 85 100 - 85 - 9609=50, 9601/3.0=17...(21) HB2 GLU 35 + HA LYS 39 OK 40 99 - 40 - 4.7/10557=5, 12072/3.9=4...(17) HB3 GLU 17 + HA LYS 39 OK 12 100 - 12 - 10342/8966=1...(4) HB3 GLU 44 + HA LYS 39 OK 12 100 - 12 - 12303/6681=2...(6) HB2 GLU 44 + HA LYS 39 OK 12 100 - 12 - 12303/6681=2...(6) HB3 LYS 94 + HA LYS 39 OK 11 61 - 18 - 12072/3.9=3, 3.0/8950=2...(6) HB3 MET 1 - HA LYS 39 lone 9 100 - 9 - HB2 GLU 62 - HA LYS 39 lone 3 87 - 3 - Peak 8952 from cnoeabs.peaks (0.81, 3.61, 60.29 ppm; 3.51 A): 7 out of 10 assignments used, quality = 0.94: QD2 LEU 70 + HA LYS 39 OK 53 100 - 53 - 10822=29, 4.6/1677=5...(16) QD2 LEU 38 + HA LYS 39 OK 46 84 - 55 - 4.5/10547=11, ~6602=7...(18) QD1 LEU 70 + HA LYS 39 OK 43 98 - 44 - 2.1/10822=24, 4.6/1677=5...(11) QD1 ILE 76 + HA LYS 39 OK 35 94 - 37 - 8956/3.0=5, 10569/3.9=5...(17) QG2 ILE 15 + HA LYS 39 OK 16 100 - 16 - 4.0/1666=3, 653/3.0=2...(4) QD2 LEU 2 + HA LYS 39 OK 14 100 - 14 - 10569/3.9=2, 8956/3.0=2...(6) QG2 ILE 7 + HA LYS 39 OK 12 90 - 13 - 8956/3.0=2, 10569/3.9=2 QD2 LEU 103 - HA LYS 39 lone 7 70 - 9 - ~6602=4, 6601/3.0=3 QD2 LEU 57 - HA LYS 39 lone 4 81 - 5 - QD1 LEU 57 - HA LYS 39 lone 2 65 - 4 - Peak 8953 from cnoeabs.peaks (0.70, 3.61, 60.29 ppm; 3.79 A): 5 out of 7 assignments used, quality = 0.86: QD1 LEU 42 + HA LYS 39 OK 68 87 - 79 - 3.1/1909=22, 8966=21...(18) QD2 LEU 14 + HA LYS 39 OK 25 96 - 26 - 8947/3.0=4, 2.1/1670=3...(11) QD1 ILE 52 + HA LYS 39 OK 22 98 - 23 - 8947/3.0=3, 10566/3.0=2...(11) QD2 LEU 6 + HA LYS 39 OK 13 81 - 16 - 6676/6663=2, 10566/3.0=1...(7) QD1 ILE 8 + HA LYS 39 OK 11 94 - 11 - 8947/3.0=2, 8870/6643=1 QD1 ILE 56 - HA LYS 39 lone 10 97 - 10 - 8947/3.0=2, 10566/3.0=1 HG13 ILE 56 - HA LYS 39 lone 6 81 - 8 - ~8947=1, 8947/3.0=1 Peak 8956 from cnoeabs.peaks (0.80, 1.80, 32.18 ppm; 3.88 A): 6 out of 8 assignments used, quality = 0.91: QD1 ILE 76 + HB2 LYS 39 OK 58 100 - 58 - 10569/3.0=8, 3454/3.0=6...(21) QD2 LEU 70 + HB2 LYS 39 OK 47 94 - 51 - 10822/3.0=25, ~9546=6...(10) QD1 LEU 70 + HB2 LYS 39 OK 26 70 - 38 - ~10822=16, 8952/3.0=5...(9) QG2 ILE 7 + HB2 LYS 39 OK 22 100 - 22 - 10569/3.0=3, 8957/1.8=2...(8) QD2 LEU 2 + HB2 LYS 39 OK 18 92 - 20 - 10569/3.0=3, 12040/3.0=2...(7) QG2 ILE 15 + HB2 LYS 39 OK 17 90 - 19 - 4.0/1680=4, 10569/3.0=2...(7) QG2 ILE 8 - HB2 LYS 39 poor 10 87 - 11 - 3.0/10566=1 QD2 LEU 57 - HB2 LYS 39 lone 9 100 - 9 - 10569/3.0=1 Peak 8957 from cnoeabs.peaks (0.79, 1.86, 32.18 ppm; 3.78 A): 10 out of 32 assignments used, quality = 0.92: QD1 ILE 76 + HB3 LYS 39 OK 46 96 - 48 - 8956/1.8=9, 10569/3.0=6...(18) QD2 LEU 70 + HB3 LYS 39 OK 32 77 - 42 - 10822/3.0=16, 8956/1.8=8...(9) QG2 ILE 15 + HB2 LYS 12 OK 30 57 - 54 - ~392=11, ~644=6...(18) QG2 ILE 15 + HB3 LYS 12 OK 28 52 - 54 - ~392=11, 3.0/8466=6...(18) QG2 ILE 7 + HB3 LYS 39 OK 20 98 - 20 - 8956/1.8=4, 10569/3.0=3...(7) QD1 ILE 76 + HB2 LYS 12 OK 13 83 - 16 - 9668/3.0=2, 3454/3.0=1 QD1 ILE 76 + HB3 LYS 12 OK 12 77 - 16 - 9668/3.0=2, 3454/3.0=1 QD1 ILE 76 + HB3 LYS 68 OK 12 58 - 20 - 9535/4.6=3, 3451/2.9=2...(6) QD2 LEU 57 + HB3 LYS 68 OK 11 64 - 17 - 9535/4.6=3, 2636/1.8=2...(5) QD2 LEU 2 + HB3 LYS 39 OK 10 73 - 14 - 8956/1.8=3, 10569/3.0=3, ~87=1 QG2 ILE 15 - HB3 LYS 39 poor 9 70 - 13 - 8956/1.8=3, 10569/3.0=2...(6) QD2 LEU 70 - HB2 LYS 12 poor 9 64 - 14 - ~392=1, 10822/1692=1, 9541/3.0=1 QD2 LEU 70 - HB3 LYS 12 poor 8 58 - 14 - ~392=1, 10822/1692=1, 9541/3.0=1 QG2 ILE 8 - HB3 LYS 39 lone 8 98 - 8 - 8956/1.8=2 QG2 ILE 52 - HB3 LYS 39 lone 7 81 - 9 - ~8953=2, ~10566=2 QD2 LEU 57 - HB3 LYS 39 lone 6 100 - 6 - 8956/1.8=2 QG2 ILE 52 - HB2 LYS 12 lone 4 67 - 7 - QG2 ILE 7 - HB2 LYS 12 lone 4 86 - 5 - 8267/4.8=1 QD2 LEU 70 - HB3 LYS 68 poor 4 43 - 10 - 9535/4.6=5, 10822/1669=1 QG2 ILE 7 - HB3 LYS 12 lone 4 80 - 5 - 8267/4.8=1 QG2 ILE 52 - HB3 LYS 12 lone 4 61 - 7 - QG2 ILE 7 - HB3 LYS 68 lone 4 61 - 6 - QD2 LEU 2 - HB2 LYS 12 lone 4 60 - 6 - QG2 ILE 8 - HB3 LYS 68 lone 3 61 - 6 - 9535/4.6=1 QD2 LEU 2 - HB3 LYS 12 lone 3 55 - 6 - QD2 LEU 57 - HB2 LYS 12 lone 3 89 - 3 - QG2 ILE 15 - HB3 LYS 68 lone 3 38 - 8 - ~8452=1 QG2 ILE 8 - HB2 LYS 12 lone 3 86 - 3 - QD2 LEU 57 - HB3 LYS 12 lone 3 83 - 3 - QG2 ILE 8 - HB3 LYS 12 lone 3 80 - 3 - QD2 LEU 2 - HB3 LYS 68 lone 2 41 - 4 - QG2 ILE 52 - HB3 LYS 68 lone 2 46 - 3 - 9535/4.6=1 Peak 8958 from cnoeabs.peaks (0.80, 2.88, 41.80 ppm; 3.44 A): 6 out of 18 assignments used, quality = 0.86: QD1 ILE 76 + HE3 LYS 39 OK 34 99 - 35 - 10569/3.5=5, 3451/3.0=5...(16) QD2 LEU 70 + HE3 LYS 39 OK 34 100 - 34 - 10821=12, 10821/1.8=10...(6) QD2 LEU 70 + HE2 LYS 39 OK 30 86 - 34 - 10821=11, 10821/1.8=10...(6) QD1 ILE 76 + HE2 LYS 39 OK 29 85 - 34 - 10569/3.5=5, 3451/3.0=5...(15) QD1 LEU 70 + HE3 LYS 39 OK 21 90 - 23 - 2.1/10821=10, ~10821=6...(5) QD1 LEU 70 + HE2 LYS 39 OK 17 72 - 24 - 2.1/10821=9, ~10821=6...(5) QD2 LEU 2 - HE3 LYS 39 lone 8 99 - 8 - 10569/3.5=2, 12040/3.5=1 QG2 ILE 7 - HE3 LYS 39 lone 7 98 - 7 - 10569/3.5=2, 253/3.5=1 QD2 LEU 2 - HE2 LYS 39 lone 7 85 - 8 - 10569/3.5=2, 12040/3.5=1 QG2 ILE 7 - HE2 LYS 39 lone 6 83 - 7 - 10569/3.5=2, 253/3.5=1 QG2 ILE 15 - HE3 LYS 39 lone 6 99 - 6 - 10569/3.5=2, 8956/4.9=1 QD2 LEU 38 - HE3 LYS 39 lone 5 65 - 8 - 8952/6.3=2, 6601/7.2=1 QG2 ILE 15 - HE2 LYS 39 lone 5 84 - 6 - 10569/3.5=2, 8956/4.9=1 QD2 LEU 38 - HE2 LYS 39 lone 4 50 - 8 - 8952/6.3=2, 6601/7.2=1 QD2 LEU 57 - HE3 LYS 39 lone 3 94 - 3 - QD2 LEU 57 - HE2 LYS 39 lone 2 77 - 3 - QG2 ILE 8 - HE3 LYS 39 lone 2 65 - 3 - QG2 ILE 8 - HE2 LYS 39 lone 1 50 - 3 - Peak 8959 from cnoeabs.peaks (6.82, 1.36, 24.65 ppm; 5.83 A): 2 out of 2 assignments used, quality = 0.92: HD2 TYR 41 + HG3 LYS 40 OK 73 99 - 73 - 8865/1.8=23, 8864/2.9=15...(20) HD1 TYR 41 + HG3 LYS 40 OK 71 97 - 73 - 8865/1.8=23, 8864/2.9=15...(20) Peak 8962 from cnoeabs.peaks (3.71, 1.16, 24.65 ppm; 4.99 A): 3 out of 3 assignments used, quality = 0.98: HA GLU 37 + HG2 LYS 40 OK 89 100 - 89 - 1584/4.9=24, 1585/2.9=24...(20) HA3 GLY 100 + HG2 LYS 40 OK 59 94 - 63 - 1782/2.9=12, 1794/2.9=12...(16) HA LEU 42 + HG2 LYS 40 OK 58 100 - 59 - 1794/2.9=13, 1782/2.9=12...(14) Peak 8963 from cnoeabs.peaks (3.71, 1.36, 24.65 ppm; 5.17 A): 3 out of 3 assignments used, quality = 0.98: HA GLU 37 + HG3 LYS 40 OK 87 100 - 87 - 1584/4.9=26, 1585/2.9=25...(16) HA3 GLY 100 + HG3 LYS 40 OK 59 94 - 63 - 1782/2.9=12, 8962/1.8=12...(14) HA LEU 42 + HG3 LYS 40 OK 59 100 - 59 - 1794/2.9=13, 1782/2.9=13...(11) Peak 8964 from cnoeabs.peaks (3.71, 1.46, 28.90 ppm; 4.66 A): 6 out of 9 assignments used, quality = 1.00: HA GLU 37 + HD2 LYS 40 OK 85 100 - 85 - 1585/3.5=21, 1794/3.5=17...(20) HA GLU 37 + HD3 LYS 40 OK 85 100 - 85 - 1585/3.5=21, 1794/3.5=17...(20) HA3 GLY 100 + HD2 LYS 40 OK 51 94 - 54 - 1782/3.5=10, 1794/3.5=10...(13) HA3 GLY 100 + HD3 LYS 40 OK 50 94 - 54 - 1782/3.5=10, 1794/3.5=10...(13) HA LEU 42 + HD2 LYS 40 OK 50 100 - 51 - 1794/3.5=11, 1782/3.5=10...(13) HA LEU 42 + HD3 LYS 40 OK 50 100 - 51 - 1794/3.5=11, 1782/3.5=10...(13) HA GLU 37 - HD2 LYS 82 OK 11 91 - 12 - 12310=1 HA LEU 42 - HD2 LYS 82 poor 10 91 - 11 - 4.0/12082=2, 4.0/12083=2 HA3 GLY 100 - HD2 LYS 82 lone 5 82 - 6 - 10090/8113=1 Peak 8965 from cnoeabs.peaks (3.69, 2.77, 41.80 ppm; 6.33 A): 4 out of 8 assignments used, quality = 0.78: HA GLU 37 + HE3 LYS 40 OK 38 61 - 63 - 8834/1.8=10, 8834=10...(13) HA GLU 37 + HE2 LYS 40 OK 38 61 - 63 - 8834/1.8=10, 8834=10...(13) HA LEU 42 + HE3 LYS 40 OK 23 77 - 30 - 6615/7.1=6, 8962/4.0=5...(8) HA LEU 42 + HE2 LYS 40 OK 23 77 - 30 - 6615/7.1=6, 8962/4.0=5...(8) HB THR 80 - HE3 LYS 40 poor 10 92 - 11 - ~10195=2, 9721/3.0=2...(4) HB THR 80 - HE2 LYS 40 poor 10 91 - 11 - ~10195=2, 9721/3.0=2...(4) HA LEU 14 - HE3 LYS 40 lone 4 97 - 5 - HA LEU 14 - HE2 LYS 40 lone 4 97 - 5 - Peak 8966 from cnoeabs.peaks (3.60, 0.69, 25.64 ppm; 4.54 A): 1 out of 1 assignment used, quality = 0.88: HA LYS 39 + QD1 LEU 42 OK 88 98 - 89 - 1909/3.1=30, 1918/3.1=28...(18) Peak 8967 from cnoeabs.peaks (3.61, 1.90, 26.36 ppm; 5.46 A): 1 out of 1 assignment used, quality = 0.96: HA LYS 39 + HG LEU 42 OK 96 100 - 96 - 8966/2.1=46, 1909/3.0=43...(16) Peak 8969 from cnoeabs.peaks (3.85, 1.81, 40.51 ppm; 5.54 A): 5 out of 8 assignments used, quality = 0.96: HA LYS 40 + HB2 LEU 42 OK 63 87 - 73 - 1779/4.6=14, 2.9/6620=12...(16) HA ALA 71 + HB2 LEU 42 OK 47 97 - 48 - ~10414=8, ~1906=8...(14) HA2 GLY 100 + HB2 LEU 42 OK 46 84 - 54 - 1.8/1911=10, ~1920=9...(12) HB3 SER 49 + HB2 LEU 42 OK 44 99 - 45 - 9073/3.1=8, 8924/3.1=8...(12) HA ALA 67 + HB2 LEU 42 OK 38 100 - 37 - 3.6/1917=9, 2978/4.0=8...(9) HA LYS 94 - HB2 LEU 42 OK 37 84 - 44 - 3.0/7507=7, ~10414=7...(13) HA LYS 12 - HB2 LEU 42 OK 26 100 - 26 - 8924/3.1=4, 8970/1.8=3...(8) HA2 GLY 101 - HB2 LEU 42 OK 19 84 - 23 - 3.6/10111=7, ~7631=3...(7) Peak 8970 from cnoeabs.peaks (3.85, 1.30, 40.51 ppm; 5.76 A): 6 out of 8 assignments used, quality = 0.95: HA ALA 71 + HB3 LEU 42 OK 49 100 - 49 - ~10414=9, ~1906=9...(13) HA LYS 40 + HB3 LEU 42 OK 46 70 - 66 - ~6620=12, ~6615=11...(14) HB3 SER 49 + HB3 LEU 42 OK 41 94 - 44 - 8924/3.1=8, 9073/3.1=8...(9) HA ALA 67 + HB3 LEU 42 OK 37 98 - 37 - 3.6/1926=9, 2978/4.0=9...(7) HA2 GLY 100 + HB3 LEU 42 OK 35 65 - 54 - 1.8/1920=10, ~1911=9...(14) HA LYS 94 + HB3 LEU 42 OK 28 65 - 44 - ~10414=8, ~1906=6...(13) HA LYS 12 - HB3 LEU 42 OK 21 97 - 22 - 8924/3.1=4, 8969/1.8=3...(7) HA2 GLY 101 - HB3 LEU 42 OK 18 65 - 28 - 3.6/10113=14, ~7631=4...(6) Peak 8971 from cnoeabs.peaks (2.96, 1.81, 40.51 ppm; 6.25 A): 6 out of 13 assignments used, quality = 0.88: HB3 PHE 45 + HB2 LEU 42 OK 66 87 - 77 - ~2039=21, 2048/3.0=21...(13) HE3 LYS 90 + HB2 LEU 42 OK 34 61 - 55 - 3.8/1913=8, ~3994=8...(15) HE3 LYS 13 + HB2 LEU 42 OK 15 100 - 15 - 3.8/8915=3, ~1908=2...(5) HE3 LYS 12 + HB2 LEU 42 OK 15 92 - 16 - ~10392=3, 4.0/8915=2...(4) HE2 LYS 13 + HB2 LEU 42 OK 15 99 - 15 - 3.8/8915=3, ~1908=1...(5) HG2 MET 21 + HB2 LEU 42 OK 11 77 - 14 - 8556=1, 8546/3923=1 HE2 LYS 24 - HB2 LEU 42 lone 10 97 - 10 - ~8923=1, ~1908=1 HE3 LYS 24 - HB2 LEU 42 lone 10 97 - 10 - ~8923=1, ~1908=1 HB2 ASN 51 - HB2 LEU 42 lone 7 94 - 8 - 10636/3.1=2 HE2 LYS 47 - HB2 LEU 42 poor 6 61 - 10 - ~8923=2, ~1907=1...(4) HE3 LYS 47 - HB2 LEU 42 poor 6 61 - 10 - ~8923=2, ~1907=1...(4) HE2 LYS 73 - HB2 LEU 42 lone 4 99 - 4 - HE3 LYS 73 - HB2 LEU 42 lone 4 94 - 4 - Peak 8977 from cnoeabs.peaks (2.96, 3.94, 58.87 ppm; 4.33 A): 3 out of 11 assignments used, quality = 0.85: HE2 LYS 47 + HA GLU 44 OK 48 90 - 54 - 3.8/10615=11...(16) HE3 LYS 47 + HA GLU 44 OK 48 90 - 54 - 3.8/10615=11...(16) HB3 PHE 45 + HA GLU 44 OK 44 99 - 44 - 6730/3.6=13, 4.5/6740=11...(9) HE3 LYS 24 - HA GLU 44 lone 9 100 - 9 - 12280/4.0=1, 4.9/1999=1 HE2 LYS 24 - HA GLU 44 lone 9 100 - 9 - 12280/4.0=1, 4.9/1999=1 HB2 ASN 51 - HA GLU 44 poor 9 70 - 13 - 12280/4.0=2, 9111/3.0=2...(6) HE2 LYS 13 - HA GLU 44 lone 8 100 - 8 - 12280/4.0=1 HE3 LYS 13 - HA GLU 44 lone 8 99 - 8 - 12280/4.0=1 HE2 LYS 73 - HA GLU 44 lone 4 87 - 5 - HE3 LYS 12 - HA GLU 44 lone 4 100 - 4 - HE3 LYS 73 - HA GLU 44 lone 3 70 - 4 - Peak 8978 from cnoeabs.peaks (2.95, 2.00, 28.65 ppm; 4.72 A): 6 out of 33 assignments used, quality = 0.79: HB2 ASN 51 + HB2 GLU 44 OK 34 99 - 34 - 9111=8, 9111/1.8=7...(10) HB2 ASN 51 + HB3 GLU 44 OK 34 99 - 34 - 9111=8, 9111/1.8=7...(10) HB3 PHE 45 + HB3 GLU 44 OK 23 70 - 33 - 3.7/6725=10, 3.7/8989=7...(5) HB3 PHE 45 + HB2 GLU 44 OK 23 70 - 33 - 3.7/6725=10, 3.7/8989=7...(5) HE3 LYS 90 + HB3 GLU 17 OK 11 34 - 32 - ~12232=9, ~12236=7...(7) HB2 ASN 51 + HB3 GLU 17 OK 10 48 - 21 - 9111=5, 10633/3.0=3...(8) HE3 LYS 13 - HB3 GLU 44 lone 8 96 - 8 - 12280/3.0=2, ~12280=1, ~8977=1 HE3 LYS 13 - HB2 GLU 44 lone 8 96 - 8 - 12280/3.0=2, ~12280=1, ~8977=1 HE2 LYS 24 - HB3 GLU 44 lone 8 87 - 9 - 12280/3.0=2, ~8977=1...(4) HE2 LYS 24 - HB2 GLU 44 lone 8 87 - 9 - 12280/3.0=2, ~8977=1...(4) HE3 LYS 24 - HB3 GLU 44 lone 8 87 - 9 - 12280/3.0=2, ~8977=1...(4) HE3 LYS 24 - HB2 GLU 44 lone 8 87 - 9 - 12280/3.0=2, ~8977=1...(4) HE3 LYS 13 - HB3 GLU 17 poor 8 44 - 18 - 11024/3.0=4, ~11024=4...(6) HE2 LYS 13 - HB3 GLU 44 lone 8 92 - 8 - 12280/3.0=2, ~12280=1...(4) HE2 LYS 13 - HB2 GLU 44 lone 8 92 - 8 - 12280/3.0=2, ~12280=1...(4) HE2 LYS 73 - HB3 GLU 17 poor 8 50 - 15 - 11024/3.0=3, ~11024=2...(4) HE2 LYS 13 - HB3 GLU 17 poor 7 41 - 18 - 11024/3.0=4, ~11024=4...(6) HE3 LYS 73 - HB3 GLU 17 poor 7 48 - 15 - ~11024=3, 11024/3.0=3...(4) HG2 MET 21 - HB3 GLU 44 lone 5 92 - 5 - 8534/4.7=2 HG2 MET 21 - HB2 GLU 44 lone 5 92 - 5 - 8534/4.7=2 HE2 LYS 73 - HB3 GLU 44 lone 5 100 - 5 - 12280/3.0=1 HE2 LYS 73 - HB2 GLU 44 lone 5 100 - 5 - 12280/3.0=1 HE3 LYS 73 - HB3 GLU 44 lone 5 99 - 4 - HE3 LYS 73 - HB2 GLU 44 lone 5 99 - 4 - HE3 LYS 24 - HB3 GLU 17 lone 3 38 - 8 - 11024/3.0=2, ~11024=2 HE2 LYS 24 - HB3 GLU 17 lone 3 38 - 8 - 11024/3.0=2, ~11024=2 HE3 LYS 12 - HB3 GLU 17 lone 3 32 - 9 - 11024/3.0=2, ~12233=2...(4) HE3 LYS 12 - HB3 GLU 44 lone 3 77 - 3 - HE3 LYS 12 - HB2 GLU 44 lone 3 77 - 3 - HG2 MET 21 - HB3 GLU 17 lone 2 41 - 5 - ~8540=2 HE3 LYS 90 - HB2 GLU 44 lone 2 81 - 2 - HE3 LYS 90 - HB3 GLU 44 lone 2 81 - 2 - HB3 PHE 45 - HB3 GLU 17 lone 2 28 - 5 - Peak 8981 from cnoeabs.peaks (0.79, 2.35, 35.75 ppm; 4.36 A): 0 out of 8 assignments used, low quality = 0.33: QD2 LEU 70 - HG3 GLU 44 OK 33 84 - 39 - 3.1/10185=9, 2.1/10187=9...(11) QD1 ILE 76 - HG3 GLU 44 lone 9 98 - 10 - 9642/8993=2, 9642/8993=2 QG2 ILE 52 - HG3 GLU 44 lone 6 73 - 8 - 3.2/10186=2, 2.1/10187=1 QG2 ILE 8 - HG3 GLU 44 lone 5 96 - 6 - 3.1/10185=2 QG2 ILE 7 - HG3 GLU 44 lone 5 99 - 5 - 8265/4.0=2 QD2 LEU 2 - HG3 GLU 44 lone 4 81 - 5 - QG2 ILE 15 - HG3 GLU 44 lone 4 77 - 5 - QD2 LEU 57 - HG3 GLU 44 lone 3 100 - 3 - Peak 8987 from cnoeabs.peaks (6.65, 3.94, 58.87 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.77: HD1 PHE 45 + HA GLU 44 OK 52 92 - 57 - 8993/4.0=21, 6731/3.6=19...(7) HD2 PHE 45 + HA GLU 44 OK 52 92 - 56 - 8993/4.0=21, 6731/3.6=18...(7) Peak 8988 from cnoeabs.peaks (6.83, 2.00, 28.65 ppm; 4.49 A): 4 out of 12 assignments used, quality = 0.69: HD1 TYR 41 + HB3 GLU 44 OK 26 99 - 27 - 4.2/1880=9, 8984/3.9=9...(5) HD1 TYR 41 + HB2 GLU 44 OK 26 99 - 27 - 4.2/1880=9, 8984/3.9=9...(5) HD2 TYR 41 + HB2 GLU 44 OK 25 96 - 26 - 4.3/1880=9, 8984/3.9=9...(5) HD2 TYR 41 + HB3 GLU 44 OK 25 96 - 26 - 4.3/1880=9, 8984/3.9=9...(5) HE2 TYR 41 - HB3 GLU 44 poor 9 57 - 16 - 6.4/1881=5, 8984/3.9=3...(6) HE2 TYR 41 - HB2 GLU 44 poor 9 57 - 16 - 6.4/1881=5, 8984/3.9=3...(6) HE21 GLN 72 - HB3 GLU 17 poor 7 24 - 29 - ~7191=5, ~3221=4...(11) HD1 TYR 41 - HB3 GLU 17 lone 2 48 - 3 - HD2 TYR 41 - HB3 GLU 17 lone 1 44 - 3 - HE21 GLN 72 - HB3 GLU 44 lone 1 61 - 2 - HE21 GLN 72 - HB2 GLU 44 lone 1 61 - 2 - HE2 TYR 41 - HB3 GLU 17 lone 0 22 - 2 - Peak 8989 from cnoeabs.peaks (6.67, 2.00, 28.65 ppm; 4.74 A): 4 out of 6 assignments used, quality = 0.83: HD1 PHE 45 + HB3 GLU 44 OK 36 84 - 43 - 8990/3.0=13, 8985/3.9=12...(10) HD1 PHE 45 + HB2 GLU 44 OK 36 84 - 43 - 8990/3.0=13, 8985/3.9=12...(10) HD2 PHE 45 + HB2 GLU 44 OK 36 84 - 42 - 8990/3.0=13, 8985/3.9=11...(10) HD2 PHE 45 + HB3 GLU 44 OK 36 84 - 42 - 8990/3.0=13, 8985/3.9=11...(10) HD1 PHE 45 - HB3 GLU 17 lone 2 36 - 4 - 14685/593=1 HD2 PHE 45 - HB3 GLU 17 lone 2 36 - 4 - 14685/593=1 Peak 8990 from cnoeabs.peaks (6.67, 2.13, 35.75 ppm; 5.18 A): 2 out of 4 assignments used, quality = 0.66: HD1 PHE 45 + HG2 GLU 44 OK 42 96 - 44 - 8985/4.8=11, 8989/3.0=9...(8) HD2 PHE 45 + HG2 GLU 44 OK 42 96 - 44 - 8985/4.8=11, 8989/3.0=9...(8) HD1 PHE 45 - HG2 GLU 69 lone 5 59 - 8 - 5.5/2023=3, 3.7/12280=1 HD2 PHE 45 - HG2 GLU 69 lone 5 59 - 8 - 5.6/2023=3, 3.7/12280=1 Peak 8993 from cnoeabs.peaks (6.65, 2.35, 35.75 ppm; 5.15 A): 2 out of 2 assignments used, quality = 0.49: HD1 PHE 45 + HG3 GLU 44 OK 29 90 - 32 - 8987/4.0=10, 5.5/2030=10...(5) HD2 PHE 45 + HG3 GLU 44 OK 29 90 - 32 - 8987/4.0=10, 5.6/2030=10...(5) Peak 8994 from cnoeabs.peaks (0.78, 2.98, 36.68 ppm; 4.47 A): 4 out of 8 assignments used, quality = 0.97: QG2 ILE 52 + HB2 PHE 45 OK 65 100 - 66 - 9166/1.8=13, 9144/3.7=12...(13) QD2 LEU 42 + HB2 PHE 45 OK 61 94 - 65 - 10600/3.7=15...(12) QD1 LEU 6 + HB2 PHE 45 OK 60 99 - 61 - 8214/5.8=16, 8211/3.7=12...(8) QG1 VAL 54 + HB2 PHE 45 OK 47 81 - 59 - 2.1/9237=19, 9229/5.8=10...(11) QG2 ILE 8 - HB2 PHE 45 OK 15 90 - 16 - 3.1/12098=3, ~12099=2...(6) QD1 ILE 15 - HB2 PHE 45 OK 14 73 - 19 - 5.0/8461=4, 2.1/8444=4...(5) QD1 ILE 93 - HB2 PHE 45 OK 11 98 - 11 - 4169/3.7=4, 8996/3.0=2 QD1 LEU 27 - HB2 PHE 45 lone 9 97 - 9 - 1220/3.7=3, 8996/3.0=2 Peak 8995 from cnoeabs.peaks (0.68, 2.98, 36.68 ppm; 4.60 A): 4 out of 5 assignments used, quality = 0.96: QD1 ILE 52 + HB2 PHE 45 OK 62 87 - 71 - 9170/3.0=18, 9147/3.7=12...(16) QD2 LEU 6 + HB2 PHE 45 OK 56 99 - 56 - 8215/5.8=20, 8208/5.4=11...(9) QD1 LEU 42 + HB2 PHE 45 OK 55 98 - 57 - 4.0/1907=15, 2.1/8923=10...(13) QD1 LEU 14 + HB2 PHE 45 OK 42 99 - 42 - 8416=7, 2.1/8414=5...(16) QG2 VAL 58 - HB2 PHE 45 lone 7 97 - 8 - 8997/3.0=1 Peak 8996 from cnoeabs.peaks (0.78, 4.52, 55.95 ppm; 3.98 A): 6 out of 8 assignments used, quality = 0.92: QG2 ILE 52 + HA PHE 45 OK 51 100 - 51 - 3.1/9170=12, 9166/3.0=8...(13) QD1 LEU 6 + HA PHE 45 OK 45 99 - 46 - 2.1/8997=9, 8211/4.2=9...(8) QD2 LEU 42 + HA PHE 45 OK 44 94 - 47 - 10600/4.2=11...(9) QG1 VAL 54 + HA PHE 45 OK 29 81 - 36 - ~9237=8, 2.1/9235=6...(9) QD1 ILE 93 + HA PHE 45 OK 13 98 - 13 - 4169/3.0=3, ~4153=2...(5) QD1 LEU 27 + HA PHE 45 OK 13 97 - 13 - 1220/3.0=2, ~1212=1, ~1204=1 QG2 ILE 8 - HA PHE 45 poor 9 90 - 10 - ~12098=1, 8994/3.0=1...(4) QD1 ILE 15 - HA PHE 45 poor 8 73 - 11 - 684/3.6=3, ~8444=2, 8445/3.0=2 Peak 8997 from cnoeabs.peaks (0.68, 4.52, 55.95 ppm; 3.82 A): 4 out of 5 assignments used, quality = 0.82: QD1 ILE 52 + HA PHE 45 OK 50 87 - 57 - 9170=14, 9151/3.6=8...(15) QD2 LEU 6 + HA PHE 45 OK 34 99 - 35 - 8215/7.2=7, 2.1/8996=7...(8) QD1 LEU 42 + HA PHE 45 OK 32 98 - 33 - 10414/3.0=7, 2.1/8996=7...(11) QD1 LEU 14 + HA PHE 45 OK 18 99 - 18 - 8995/3.0=4, 8416/3.0=2...(7) QG2 VAL 58 - HA PHE 45 lone 4 97 - 4 - Peak 8998 from cnoeabs.peaks (0.77, 6.66, 129.63 ppm; 4.39 A): 6 out of 20 assignments used, quality = 1.00: QD1 LEU 6 + HD2 PHE 45 OK 76 100 - 76 - 8214/4.3=23, 8212/2.5=20...(12) QD1 LEU 6 + HD1 PHE 45 OK 76 100 - 76 - 8214/4.3=23, 8212/2.5=20...(12) QG1 VAL 54 + HD1 PHE 45 OK 67 96 - 70 - 2.1/9222=21, 9229/4.3=19...(10) QG1 VAL 54 + HD2 PHE 45 OK 66 96 - 69 - 2.1/9222=20, 9229/4.3=19...(10) QD2 LEU 42 + HD1 PHE 45 OK 61 100 - 61 - 10600=23, 10600/4.3=14...(12) QD2 LEU 42 + HD2 PHE 45 OK 61 100 - 61 - 10600=23, 10600/4.3=14...(12) QG2 ILE 52 - HD1 PHE 45 OK 40 94 - 43 - 9144/4.3=9, 3.1/9147=8...(10) QG2 ILE 52 - HD2 PHE 45 OK 40 94 - 43 - 9144/4.3=9, 3.1/9147=8...(10) QD1 ILE 93 - HD1 PHE 45 lone 10 100 - 9 - 4169/5.5=2, 8996/4.2=2 QD1 ILE 93 - HD2 PHE 45 lone 9 100 - 9 - 4169/5.6=2, 8996/4.2=2 QD1 ILE 15 - HD1 PHE 45 lone 8 92 - 9 - 8445/3.7=3 QD1 ILE 15 - HD2 PHE 45 lone 8 92 - 9 - 8445/3.7=3 QD1 LEU 27 - HD1 PHE 45 lone 7 100 - 7 - 1220/5.5=2, 8996/4.2=2 QD1 LEU 27 - HD2 PHE 45 lone 7 100 - 7 - 1220/5.6=2, 8996/4.2=2 HG13 ILE 15 - HD1 PHE 45 lone 5 77 - 7 - 8444/3.7=2 HG13 ILE 15 - HD2 PHE 45 lone 5 77 - 7 - 8444/3.7=2 QG2 ILE 8 - HD1 PHE 45 lone 5 70 - 7 - 8994/3.7=1, 8996/4.2=1 QG2 ILE 8 - HD2 PHE 45 lone 5 70 - 7 - 8994/3.7=1, 8996/4.2=1 QG2 ILE 93 - HD1 PHE 45 lone 3 61 - 5 - 4.3/9003=1 QG2 ILE 93 - HD2 PHE 45 lone 3 61 - 5 - 4.3/9003=1 Peak 8999 from cnoeabs.peaks (0.66, 6.66, 129.63 ppm; 4.63 A): 2 out of 10 assignments used, quality = 0.96: QG2 VAL 54 + HD1 PHE 45 OK 80 99 - 81 - 9222=24, 9228/4.3=22...(14) QG2 VAL 54 + HD2 PHE 45 OK 80 99 - 80 - 9222=24, 9228/4.3=22...(14) QD1 LEU 14 - HD1 PHE 45 poor 9 61 - 14 - 4.0/14685=5, 8416/3.7=2...(5) QD1 LEU 14 - HD2 PHE 45 poor 9 61 - 14 - 4.0/14685=5, 8416/3.7=2...(5) QD1 LEU 29 - HD1 PHE 45 lone 3 99 - 3 - QD1 LEU 29 - HD2 PHE 45 lone 3 99 - 3 - QD2 LEU 29 - HD1 PHE 45 lone 2 73 - 3 - QD2 LEU 29 - HD2 PHE 45 lone 2 73 - 3 - QG2 VAL 58 - HD2 PHE 45 lone 2 70 - 3 - QG2 VAL 58 - HD1 PHE 45 lone 2 70 - 3 - Peak 9000 from cnoeabs.peaks (3.72, 6.66, 129.63 ppm; 5.55 A): 6 out of 6 assignments used, quality = 0.93: HA LEU 42 + HD1 PHE 45 OK 61 87 - 70 - 4.0/10600=20...(12) HA LEU 42 + HD2 PHE 45 OK 60 87 - 70 - 4.0/10600=20...(12) HA3 GLY 100 + HD1 PHE 45 OK 18 100 - 18 - 2048/3.7=5, 2039/3.7=5...(5) HA3 GLY 100 + HD2 PHE 45 OK 18 100 - 18 - 2048/3.7=5, 2039/3.7=5...(5) HA GLU 37 + HD1 PHE 45 OK 18 96 - 18 - 2048/3.7=5, 2039/3.7=5...(5) HA GLU 37 + HD2 PHE 45 OK 17 96 - 18 - 2048/3.7=5, 2039/3.7=5...(5) Peak 9001 from cnoeabs.peaks (4.53, 6.51, 129.73 ppm; 5.23 A): 2 out of 6 assignments used, quality = 0.94: HA PHE 45 + HE2 PHE 45 OK 77 92 - 83 - 6.4=56, 2035/2.5=21...(10) HA PHE 45 + HE1 PHE 45 OK 76 90 - 84 - 6.3=57, 2035/2.5=21...(10) HA LYS 33 - HE1 PHE 45 OK 16 98 - 16 - 9235/9223=3, 2041/5.4=2...(6) HA LYS 33 - HE2 PHE 45 OK 15 99 - 15 - 9235/9223=3, 2041/5.4=2...(6) HA PHE 96 - HE2 PHE 45 poor 9 65 - 14 - 2050/5.4=4, 2041/5.4=4...(5) HA PHE 96 - HE1 PHE 45 poor 9 64 - 14 - 2050/5.4=4, 2041/5.4=4...(5) Peak 9003 from cnoeabs.peaks (8.27, 6.66, 129.63 ppm; 5.66 A): 2 out of 10 assignments used, quality = 0.99: H PHE 45 + HD1 PHE 45 OK 92 92 - 100 - 5.5=100 H PHE 45 + HD2 PHE 45 OK 92 92 - 100 - 5.6=100 H ALA 71 - HD1 PHE 45 OK 35 92 - 38 - 2040/3.7=7, 2049/3.7=7...(13) H ALA 71 - HD2 PHE 45 OK 35 92 - 38 - 2040/3.7=7, 2049/3.7=7...(13) H LYS 94 - HD1 PHE 45 OK 23 98 - 23 - 2049/3.7=4, 2040/3.7=4...(5) H LYS 94 - HD2 PHE 45 OK 23 98 - 23 - 2049/3.7=4, 2040/3.7=4...(5) H GLU 23 - HD1 PHE 45 lone 6 98 - 6 - H GLU 23 - HD2 PHE 45 lone 6 98 - 6 - H LEU 103 - HD1 PHE 45 lone 1 70 - 2 - H LEU 103 - HD2 PHE 45 lone 1 70 - 2 - Peak 9004 from cnoeabs.peaks (2.98, 6.51, 129.73 ppm; 6.50 A): 4 out of 22 assignments used, quality = 1.00: HB2 PHE 45 + HE2 PHE 45 OK 98 98 - 100 - 5.4=100 HB2 PHE 45 + HE1 PHE 45 OK 97 97 - 100 - 5.4=100 HB3 PHE 45 + HE2 PHE 45 OK 92 92 - 100 - 5.4=100 HB3 PHE 45 + HE1 PHE 45 OK 90 90 - 100 - 5.4=100 HE2 LYS 47 - HE2 PHE 45 OK 13 100 - 14 - 2033/6.4=2, 6729/7.5=2...(4) HE3 LYS 47 - HE2 PHE 45 OK 13 100 - 14 - 2033/6.4=2, 6729/7.5=2...(4) HE2 LYS 47 - HE1 PHE 45 OK 13 99 - 14 - 2033/6.3=2, 6729/7.5=2...(4) HE3 LYS 47 - HE1 PHE 45 OK 13 99 - 14 - 2033/6.3=2, 6729/7.5=2...(4) HB2 SER 9 - HE2 PHE 45 poor 10 81 - 12 - 9237/9223=2, 14516/2.5=2...(4) HB2 SER 9 - HE1 PHE 45 poor 10 79 - 12 - 9237/9223=2, 14516/2.5=2...(4) HB3 ASP 11 - HE2 PHE 45 lone 6 70 - 9 - 9237/9223=1 HB3 ASP 11 - HE1 PHE 45 lone 6 68 - 9 - 9237/9223=2 HE3 LYS 24 - HE2 PHE 45 lone 5 77 - 6 - HE2 LYS 24 - HE2 PHE 45 lone 5 77 - 6 - HE2 LYS 24 - HE1 PHE 45 lone 5 75 - 6 - HE3 LYS 24 - HE1 PHE 45 lone 5 75 - 6 - HE3 LYS 12 - HE2 PHE 45 lone 4 87 - 5 - HE3 LYS 12 - HE1 PHE 45 lone 4 85 - 5 - HE2 LYS 13 - HE2 PHE 45 lone 4 70 - 5 - HE2 LYS 13 - HE1 PHE 45 lone 4 68 - 5 - HE3 LYS 13 - HE2 PHE 45 lone 3 61 - 5 - HE3 LYS 13 - HE1 PHE 45 lone 3 60 - 5 - Peak 9005 from cnoeabs.peaks (2.32, 6.51, 129.73 ppm; 6.35 A): 2 out of 8 assignments used, quality = 0.99: HB2 TYR 41 + HE2 PHE 45 OK 89 99 - 90 - 8890/2.5=47, ~8889=36...(9) HB2 TYR 41 + HE1 PHE 45 OK 88 98 - 90 - 8890/2.5=47, ~8889=36...(9) HG2 GLU 48 - HE2 PHE 45 OK 15 77 - 20 - 10182/6.4=7, 9008/2.5=6 HG2 GLU 48 - HE1 PHE 45 OK 15 75 - 20 - 10182/6.3=7, 9008/2.5=6 HG3 GLU 43 - HE2 PHE 45 lone 8 99 - 8 - 9008/2.5=3, 1874/8886=2 HG3 GLU 43 - HE1 PHE 45 lone 8 98 - 8 - 9008/2.5=3, 1874/8886=2 HD3 ARG 81 - HE2 PHE 45 lone 5 92 - 5 - 9008/2.5=1 HD3 ARG 81 - HE1 PHE 45 lone 5 90 - 5 - 9008/2.5=1 Peak 9006 from cnoeabs.peaks (0.76, 6.51, 129.73 ppm; 4.29 A): 6 out of 20 assignments used, quality = 1.00: QD1 LEU 6 + HE2 PHE 45 OK 85 97 - 88 - 8214/2.5=30, ~8215=24...(17) QD1 LEU 6 + HE1 PHE 45 OK 84 96 - 87 - 8214/2.5=30, ~8215=24...(17) QG1 VAL 54 + HE2 PHE 45 OK 77 100 - 77 - 9229/2.5=27, 2.1/9223=18...(16) QG1 VAL 54 + HE1 PHE 45 OK 76 99 - 77 - 9229/2.5=27, 2.1/9223=19...(16) QD2 LEU 42 + HE2 PHE 45 OK 54 100 - 54 - 10600/2.5=20...(14) QD2 LEU 42 + HE1 PHE 45 OK 54 99 - 54 - 10600/2.5=20...(14) QG2 ILE 52 - HE2 PHE 45 OK 29 77 - 37 - ~9147=9, 9144/2.5=8...(11) QG2 ILE 52 - HE1 PHE 45 OK 28 75 - 37 - ~9147=9, 9144/2.5=8...(11) QD1 ILE 15 - HE2 PHE 45 lone 8 99 - 8 - 8445/5.4=2 QD1 ILE 15 - HE1 PHE 45 lone 8 98 - 8 - 8445/5.4=2 QD1 ILE 93 - HE2 PHE 45 lone 7 98 - 7 - 4169/7.5=1 HG13 ILE 15 - HE2 PHE 45 lone 7 94 - 7 - 8444/5.4=2 QD1 ILE 93 - HE1 PHE 45 lone 7 97 - 7 - 4169/7.5=1 HG13 ILE 15 - HE1 PHE 45 lone 7 92 - 7 - 8444/5.4=2 QD1 LEU 27 - HE2 PHE 45 lone 5 99 - 5 - QD1 LEU 27 - HE1 PHE 45 lone 5 98 - 5 - QG2 ILE 93 - HE2 PHE 45 lone 4 84 - 5 - QG2 ILE 93 - HE1 PHE 45 lone 4 82 - 5 - QG1 VAL 78 - HE2 PHE 45 lone 1 65 - 2 - QG1 VAL 78 - HE1 PHE 45 lone 1 64 - 2 - Peak 9007 from cnoeabs.peaks (0.68, 6.51, 129.73 ppm; 4.50 A): 2 out of 10 assignments used, quality = 0.96: QD2 LEU 6 + HE2 PHE 45 OK 81 92 - 88 - 8215/2.5=35, ~8214=23...(19) QD2 LEU 6 + HE1 PHE 45 OK 79 90 - 88 - 8215/2.5=35, ~8214=23...(19) QD1 LEU 42 - HE2 PHE 45 OK 43 87 - 50 - ~10600=14, 14697/2.5=7...(16) QD1 LEU 42 - HE1 PHE 45 OK 42 85 - 50 - ~10600=14, 14697/2.5=7...(16) QD1 ILE 52 - HE2 PHE 45 OK 30 65 - 45 - 9147/2.5=9, ~9144=8...(14) QD1 ILE 52 - HE1 PHE 45 OK 29 64 - 45 - 9147/2.5=9, ~9144=8...(14) QD1 LEU 14 - HE2 PHE 45 OK 24 100 - 24 - 9010/2.5=5, 8995/5.4=3...(10) QD1 LEU 14 - HE1 PHE 45 OK 24 99 - 24 - 9010/2.5=5, 8995/5.4=3...(10) QG2 VAL 58 - HE2 PHE 45 lone 8 100 - 7 - 9010/2.5=2 QG2 VAL 58 - HE1 PHE 45 lone 7 99 - 7 - 9010/2.5=2 Peak 9008 from cnoeabs.peaks (2.32, 6.14, 127.52 ppm; 6.48 A): 2 out of 6 assignments used, quality = 0.87: HB2 TYR 41 + HZ PHE 45 OK 84 92 - 91 - 8890=42, 1.8/8889=39...(10) HG2 GLU 48 + HZ PHE 45 OK 21 94 - 23 - 10182/7.2=9, 3.0/14691=7...(4) HG3 GLU 43 - HZ PHE 45 lone 9 100 - 9 - 1893/8889=2, 9005/2.5=1 HG2 GLU 16 - HZ PHE 45 lone 7 81 - 8 - 1.8/14691=3, 10182/7.2=2 HD3 ARG 81 - HZ PHE 45 lone 4 73 - 6 - HG3 GLU 69 - HZ PHE 45 lone 3 73 - 5 - 10182/7.2=2 Peak 9009 from cnoeabs.peaks (0.76, 6.14, 127.52 ppm; 5.25 A): 3 out of 10 assignments used, quality = 1.00: QD1 LEU 6 + HZ PHE 45 OK 92 97 - 95 - 8214=47, 2.1/8215=46...(20) QG1 VAL 54 + HZ PHE 45 OK 91 100 - 91 - 9229=44, 2.1/9228=38...(16) QD2 LEU 42 + HZ PHE 45 OK 64 100 - 64 - 10600/4.3=19...(14) QG2 ILE 52 - HZ PHE 45 OK 32 77 - 42 - 9144/4.3=9, 9144/4.3=9...(12) QD1 ILE 93 - HZ PHE 45 OK 11 98 - 11 - 4169/8.2=2 QD1 ILE 15 - HZ PHE 45 OK 11 99 - 11 - 8445/5.8=2 QD1 LEU 27 - HZ PHE 45 OK 10 99 - 10 - 8721/8701=2, 1220/8.2=1 HG13 ILE 15 - HZ PHE 45 lone 9 94 - 10 - 8444/5.8=2 QG2 ILE 93 - HZ PHE 45 lone 6 84 - 7 - 8147/8127=1, 4145/8.2=1 QG1 VAL 78 - HZ PHE 45 lone 2 65 - 4 - 2497/9228=2 Peak 9010 from cnoeabs.peaks (0.68, 6.14, 127.52 ppm; 4.71 A): 4 out of 5 assignments used, quality = 0.94: QD2 LEU 6 + HZ PHE 45 OK 82 92 - 89 - 8215=40, 2.1/8214=39...(22) QD1 LEU 42 + HZ PHE 45 OK 38 87 - 43 - 2.1/9009=6, 3.1/14693=6...(17) QD1 ILE 52 + HZ PHE 45 OK 26 65 - 40 - 9147/4.3=7, 9147/4.3=7...(12) QD1 LEU 14 + HZ PHE 45 OK 26 100 - 26 - 8995/5.8=3, 9007/2.5=3...(11) QG2 VAL 58 - HZ PHE 45 lone 9 100 - 9 - Peak 9012 from cnoeabs.peaks (4.40, 3.31, 43.64 ppm; 4.53 A): 3 out of 6 assignments used, quality = 0.77: HA MET 74 + HD2 ARG 46 OK 66 100 - 66 - 12326=36, 5.3/9608=17...(13) HA HIS 106 + HD2 ARG 46 OK 22 97 - 23 - 9013/1.8=8, 3.0/2111=3...(9) HA GLN 50 + HD2 ARG 46 OK 13 100 - 13 - 3.0/10175=4, 9013/1.8=4 HA MET 21 - HD2 ARG 46 lone 7 90 - 8 - 9013/1.8=2, 3367/9608=1 HA VAL 32 - HD2 ARG 46 lone 7 90 - 7 - 9013/1.8=2, 3367/9608=1 HA ALA 25 - HD2 ARG 46 lone 6 84 - 7 - 9013/1.8=2, 3367/9608=1 Peak 9013 from cnoeabs.peaks (4.41, 3.19, 43.64 ppm; 4.89 A): 3 out of 6 assignments used, quality = 0.72: HA MET 74 + HD3 ARG 46 OK 55 100 - 56 - 12326/1.8=38, 3.0/2116=5...(11) HA HIS 106 + HD3 ARG 46 OK 28 100 - 28 - 9012/1.8=8, 12301=4...(10) HA GLN 50 + HD3 ARG 46 OK 14 96 - 14 - 3.0/11072=5, 9012/1.8=5 HA VAL 32 - HD3 ARG 46 lone 8 99 - 8 - 9012/1.8=2 HA MET 21 - HD3 ARG 46 lone 8 99 - 8 - 9012/1.8=2 HA ALA 25 - HD3 ARG 46 lone 7 97 - 7 - 9012/1.8=2, 8615/3.6=1 Peak 9014 from cnoeabs.peaks (4.42, 1.79, 26.76 ppm; 5.91 A): 5 out of 8 assignments used, quality = 0.86: HA ILE 76 + HG3 ARG 46 OK 73 99 - 73 - 3.8/10176=27...(12) HA HIS 106 + HG3 ARG 46 OK 21 70 - 31 - 3.0/2102=6, ~2093=5...(10) HA GLU 48 + HG3 ARG 46 OK 18 99 - 18 - 12339/6766=5, ~6782=4...(4) HA SER 9 + HG3 ARG 46 OK 11 99 - 11 - 3434/10176=3...(4) HA ALA 25 + HG3 ARG 46 OK 10 90 - 11 - 8615/3.0=2, 8615/3.0=1...(5) HA VAL 32 - HG3 ARG 46 poor 9 84 - 11 - 9013/3.0=1, 3.2/9021=1 HA MET 21 - HG3 ARG 46 lone 6 84 - 8 - 9013/3.0=1 HB THR 84 - HG3 ARG 46 lone 4 73 - 5 - 2.1/10947=1 Peak 9015 from cnoeabs.peaks (1.64, 3.31, 43.64 ppm; 5.77 A): 3 out of 11 assignments used, quality = 0.95: HB ILE 76 + HD2 ARG 46 OK 87 94 - 92 - 3.2/10882=39...(17) HG3 LYS 47 + HD2 ARG 46 OK 39 84 - 47 - 4.9/2112=9, 2168/2.9=5...(18) HD3 LYS 39 + HD2 ARG 46 OK 32 98 - 33 - 3.6/2109=7, 3.0/9016=5...(14) HB2 LYS 40 - HD2 ARG 46 OK 22 90 - 25 - 3.0/12084=13, ~10173=3...(4) HD2 LYS 39 - HD2 ARG 46 OK 18 61 - 30 - 3.6/2109=7, 3.0/9016=5...(10) HG2 LYS 68 - HD2 ARG 46 OK 17 97 - 17 - 3023/3.0=2, 2.9/2108=2...(7) HD3 LYS 68 - HD2 ARG 46 OK 12 73 - 16 - 3.5/2108=2, ~3023=2...(5) HD2 LYS 68 - HD2 ARG 46 OK 12 70 - 16 - 3.5/2108=2, ~3023=2...(5) HD2 LYS 94 - HD2 ARG 46 lone 7 90 - 8 - 4.7/10170=1, 6773/2112=1 HB3 LEU 6 - HD2 ARG 46 lone 4 84 - 5 - ~10372=2 HB3 ARG 79 - HD2 ARG 46 lone 2 61 - 3 - Peak 9016 from cnoeabs.peaks (1.43, 3.31, 43.64 ppm; 6.03 A): 3 out of 7 assignments used, quality = 0.94: HG13 ILE 76 + HD2 ARG 46 OK 85 90 - 94 - 2.1/10882=46, ~10176=24...(18) HG12 ILE 7 + HD2 ARG 46 OK 45 100 - 45 - 8284/3.0=8, 1.8/9019=8...(13) HG3 LYS 39 + HD2 ARG 46 OK 33 73 - 45 - 3.0/2109=8, ~2118=5...(16) QB ALA 71 - HD2 ARG 46 OK 14 77 - 18 - 10871/12326=8...(4) HG LEU 29 - HD2 ARG 46 poor 9 92 - 10 - 3454/10882=2, ~8686=1 HG2 LYS 13 - HD2 ARG 46 lone 8 99 - 8 - 10394/10882=3 QB ALA 22 - HD2 ARG 46 lone 7 92 - 8 - 4.4/9012=2 Peak 9017 from cnoeabs.peaks (0.80, 3.31, 43.64 ppm; 4.49 A): 3 out of 9 assignments used, quality = 0.95: QD1 ILE 76 + HD2 ARG 46 OK 86 99 - 87 - 10882=33, 9020/1.8=16...(19) QD2 LEU 57 + HD2 ARG 46 OK 49 100 - 50 - 9020/1.8=11, ~9358=9...(15) QG2 ILE 7 + HD2 ARG 46 OK 30 100 - 31 - 9020/1.8=5, 3.2/9016=4...(13) QG2 ILE 15 - HD2 ARG 46 OK 18 84 - 21 - 4.4/2104=5, 10120/1.8=5...(6) QD2 LEU 2 - HD2 ARG 46 OK 12 87 - 14 - 2.1/9019=3, 9604/9608=2 QG2 ILE 8 - HD2 ARG 46 OK 11 92 - 12 - 3.1/9019=2, 9020/1.8=2 QD2 LEU 70 - HD2 ARG 46 OK 10 90 - 11 - 9604/9608=2, 9020/1.8=1 QG2 ILE 52 - HD2 ARG 46 lone 6 65 - 9 - 9028/6.3=2, 9026/5.2=2 QD1 LEU 70 - HD2 ARG 46 lone 4 61 - 7 - 9604/9608=1 Peak 9019 from cnoeabs.peaks (0.88, 3.31, 43.64 ppm; 5.41 A): 2 out of 7 assignments used, quality = 0.93: QG2 ILE 76 + HD2 ARG 46 OK 90 99 - 91 - 3.2/10882=35...(19) HG13 ILE 7 + HD2 ARG 46 OK 31 77 - 40 - 1.8/9016=8, 3.2/9017=5...(12) QD1 LEU 2 - HD2 ARG 46 OK 23 99 - 23 - 3452/10882=4...(9) QD1 LEU 38 - HD2 ARG 46 OK 18 65 - 27 - 3.8/10170=4, ~10545=4...(8) HG13 ILE 8 - HD2 ARG 46 OK 16 94 - 17 - 3452/10882=3...(6) QD2 LEU 64 - HD2 ARG 46 lone 5 73 - 7 - 9513/2105=1, 9025/5.2=1 QD1 LEU 103 - HD2 ARG 46 lone 3 81 - 4 - Peak 9020 from cnoeabs.peaks (0.79, 3.19, 43.64 ppm; 4.25 A): 4 out of 8 assignments used, quality = 0.91: QD1 ILE 76 + HD3 ARG 46 OK 73 94 - 78 - 10882/1.8=25, ~10176=11...(18) QD2 LEU 57 + HD3 ARG 46 OK 48 99 - 49 - 2.1/9358=12, 9017/1.8=7...(14) QG2 ILE 7 + HD3 ARG 46 OK 24 97 - 25 - 9017/1.8=5, ~9016=3...(9) QG2 ILE 15 + HD3 ARG 46 OK 11 65 - 17 - 4.4/2113=4, 10120=3...(5) QG2 ILE 8 - HD3 ARG 46 lone 9 99 - 9 - 9017/1.8=2, ~9019=1 QD2 LEU 2 - HD3 ARG 46 lone 7 70 - 10 - ~9019=2, 9017/1.8=2 QG2 ILE 52 - HD3 ARG 46 lone 6 84 - 7 - 9028/6.3=1, 9026/5.2=1 QD2 LEU 70 - HD3 ARG 46 lone 6 73 - 8 - 9017/1.8=2 Peak 9021 from cnoeabs.peaks (0.81, 1.79, 26.76 ppm; 4.14 A): 6 out of 11 assignments used, quality = 0.91: QD1 ILE 76 + HG3 ARG 46 OK 63 81 - 78 - 2.1/10176=17...(22) QD1 LEU 57 + HG3 ARG 46 OK 34 84 - 41 - 9358/3.0=7, 9023/1.8=6...(13) QD2 LEU 38 + HG3 ARG 46 OK 25 96 - 27 - 3.8/10173=4, 9023/1.8=4...(10) QD2 LEU 57 + HG3 ARG 46 OK 23 61 - 38 - ~9358=6, ~2644=5...(13) QG2 ILE 15 + HG3 ARG 46 OK 22 99 - 22 - 660/4.9=5, 10120/3.0=5...(4) QG2 ILE 7 + HG3 ARG 46 OK 18 73 - 24 - 9023/1.8=3, ~8284=3...(9) QD2 LEU 2 - HG3 ARG 46 lone 9 98 - 9 - ~9019=2, 9023/1.8=2 QD1 LEU 70 - HG3 ARG 46 lone 8 100 - 8 - 9023/1.8=1 QD2 LEU 70 - HG3 ARG 46 lone 8 97 - 8 - 9023/1.8=1 QG2 VAL 32 - HG3 ARG 46 lone 5 70 - 7 - QD2 LEU 103 - HG3 ARG 46 lone 3 87 - 3 - Peak 9023 from cnoeabs.peaks (0.81, 1.82, 26.76 ppm; 4.28 A): 7 out of 11 assignments used, quality = 0.95: QD1 ILE 76 + HG2 ARG 46 OK 65 81 - 81 - 10882/3.0=16, ~10176=15...(23) QD1 LEU 57 + HG2 ARG 46 OK 44 84 - 53 - 2.1/2636=8, 9358/3.0=7...(16) QD2 LEU 57 + HG2 ARG 46 OK 29 61 - 48 - 2.1/2644=7, ~9358=6...(16) QD2 LEU 38 + HG2 ARG 46 OK 28 96 - 29 - 4.5/8853=5, 9021/1.8=5...(10) QG2 ILE 7 + HG2 ARG 46 OK 23 73 - 32 - 3.0/8272=5, 3.2/8284=5...(11) QG2 ILE 15 + HG2 ARG 46 OK 23 99 - 23 - 660/4.9=5, 10120/3.0=5...(5) QD2 LEU 2 + HG2 ARG 46 OK 11 98 - 11 - ~9019=2, 9021/1.8=2, 8048/2604=2 QD1 LEU 70 - HG2 ARG 46 lone 8 100 - 8 - 9021/1.8=1 QD2 LEU 70 - HG2 ARG 46 lone 8 97 - 8 - 9021/1.8=1 QG2 VAL 32 - HG2 ARG 46 lone 6 70 - 9 - QD2 LEU 103 - HG2 ARG 46 lone 3 87 - 4 - Peak 9025 from cnoeabs.peaks (0.87, 4.07, 58.19 ppm; 4.06 A): 4 out of 12 assignments used, quality = 0.72: QG2 ILE 76 + HA ARG 46 OK 47 90 - 52 - 3.2/9639=15, 10614/3.0=8...(14) QD2 LEU 64 + HA LYS 66 OK 31 68 - 45 - 4.5/12313=7, 10253/3.0=5...(18) HG13 ILE 8 + HA LYS 66 OK 13 54 - 24 - 2.1/9512=3, ~312=3...(11) QG2 ILE 76 + HA LYS 66 OK 12 66 - 19 - 3.2/9639=7, 9655/3.0=2...(6) QD1 LEU 2 - HA ARG 46 poor 10 92 - 11 - 10614/3.0=2, 9019/5.2=2...(4) HG13 ILE 8 - HA ARG 46 poor 9 77 - 12 - 10614/3.0=3, 3.1/9026=2...(5) QD1 LEU 2 - HA LYS 66 poor 9 68 - 13 - ~9506=2, ~9514=1...(4) QD1 LEU 38 - HA ARG 46 lone 8 87 - 9 - 3.8/10174=2, ~10180=1...(4) QD2 LEU 64 - HA ARG 46 lone 7 92 - 7 - 4.5/12313=2 QD1 LEU 103 - HA LYS 66 lone 6 72 - 8 - ~9506=2 QD1 LEU 38 - HA LYS 66 lone 3 63 - 4 - QD1 LEU 103 - HA ARG 46 lone 2 96 - 2 - Peak 9026 from cnoeabs.peaks (0.79, 4.07, 58.19 ppm; 3.65 A): 9 out of 16 assignments used, quality = 0.90: QD1 ILE 76 + HA ARG 46 OK 57 94 - 61 - 9639=19, 9630/3.0=10...(15) QD2 LEU 57 + HA ARG 46 OK 20 99 - 20 - 2636/4.1=4, 9020/5.2=3...(7) QD2 LEU 57 + HA LYS 66 OK 19 78 - 25 - 9516/3.0=3, 2637/3.7=3...(7) QD1 ILE 76 + HA LYS 66 OK 18 70 - 26 - 9639=9, 9516/3.0=3...(6) QG2 ILE 15 + HA ARG 46 OK 18 65 - 27 - ~652=4, 9028/3.0=3...(9) QG2 ILE 8 + HA LYS 66 OK 18 77 - 23 - 304/3.0=3, 3.0/9512=2...(12) QG2 ILE 52 + HA ARG 46 OK 17 84 - 20 - 3.1/9027=7, ~9151=6...(4) QD2 LEU 70 + HA LYS 66 OK 17 51 - 33 - 4.6/7139=7, 9516/3.0=4...(15) QG2 ILE 8 + HA ARG 46 OK 11 99 - 11 - 9028/3.0=2, 3.1/9025=1, ~10614=1 QG2 ILE 7 - HA ARG 46 poor 10 97 - 10 - 9028/3.0=2, 9020/5.2=2...(4) QD2 LEU 70 - HA ARG 46 lone 7 73 - 10 - 4.6/7139=3 QD2 LEU 2 - HA ARG 46 lone 6 70 - 9 - 2.1/9025=2, ~10614=1 QG2 ILE 7 - HA LYS 66 lone 6 74 - 8 - 9516/3.0=1 QD2 LEU 2 - HA LYS 66 poor 6 48 - 12 - 2.1/9025=2, 9516/3.0=2...(4) QG2 ILE 15 - HA LYS 66 poor 5 45 - 11 - ~8436=1, 9516/3.0=1, 9514/3.0=1 QG2 ILE 52 - HA LYS 66 lone 5 60 - 8 - 3.1/9027=2, 2357/3.6=1 Peak 9027 from cnoeabs.peaks (0.69, 4.07, 58.19 ppm; 4.02 A): 4 out of 10 assignments used, quality = 0.49: QD1 ILE 52 + HA ARG 46 OK 25 96 - 26 - 9151/3.0=12, 9171=5...(4) QD1 LEU 14 + HA LYS 66 OK 14 70 - 21 - ~10412=4, 8411=3...(8) QD1 LEU 42 + HA ARG 46 OK 12 100 - 12 - ~10341=2, 3.1/2061=1 QG2 VAL 58 + HA LYS 66 OK 10 66 - 15 - 9380/3.0=2, 9467/12313=2...(6) QD1 ILE 52 - HA LYS 66 poor 8 72 - 11 - 2381/3.6=2, 9171=2 QD1 LEU 14 - HA ARG 46 lone 6 94 - 6 - QD1 LEU 42 - HA LYS 66 lone 6 79 - 7 - 1935/7139=2, 9536/7119=1 QD2 LEU 6 - HA ARG 46 lone 4 100 - 4 - QD2 LEU 6 - HA LYS 66 lone 4 80 - 5 - QG2 VAL 58 - HA ARG 46 lone 3 90 - 4 - Peak 9030 from cnoeabs.peaks (7.47, 2.30, 29.70 ppm; 5.72 A): 4 out of 6 assignments used, quality = 0.86: H LYS 47 + HB2 GLU 48 OK 67 100 - 67 - 6780/4.0=29...(10) H ILE 52 + HB2 GLU 48 OK 40 57 - 71 - 4.6/9114=21...(10) H ARG 91 + HB2 GLU 48 OK 19 99 - 19 - 6780/4.0=7, 9033/3.0=2...(5) HE ARG 46 + HB2 GLU 48 OK 15 99 - 15 - 6780/4.0=7, 9076/4.6=3...(4) HD22 ASN 26 - HB2 GLU 48 lone 7 98 - 7 - 6780/4.0=2, 9076/4.6=1 HZ2 TRP 92 - HB2 GLU 48 lone 5 70 - 8 - 9076/4.6=2 Peak 9031 from cnoeabs.peaks (8.55, 2.30, 29.70 ppm; 5.53 A): 4 out of 4 assignments used, quality = 0.93: H GLN 50 + HB2 GLU 48 OK 73 100 - 73 - 6808/4.6=23...(14) H ASN 51 + HB2 GLU 48 OK 52 87 - 60 - 4.0/9114=22...(10) H VAL 58 + HB2 GLU 48 OK 32 99 - 32 - 4.0/9040=7, 12314/3.0=7...(6) H LYS 12 + HB2 GLU 48 OK 15 73 - 21 - 12314/3.0=8, 6806/4.6=3...(5) Peak 9033 from cnoeabs.peaks (7.46, 2.33, 35.74 ppm; 5.87 A): 5 out of 15 assignments used, quality = 0.79: H LYS 47 + HG2 GLU 48 OK 57 96 - 60 - 6780/4.9=25...(9) H LYS 47 + HG2 GLU 16 OK 25 65 - 38 - 4.6/6793=11, 9029=7...(10) H ARG 91 + HG2 GLU 48 OK 14 98 - 14 - 6780/4.9=6, 9030/3.0=4 HE ARG 46 + HG2 GLU 48 OK 13 98 - 13 - 6780/4.9=6, 9030/3.0=3 HE ARG 46 + HG2 GLU 16 OK 12 68 - 18 - ~11072=6, ~10175=5...(4) H LYS 47 - HG3 GLU 69 poor 8 65 - 13 - 9029=3, 4.6/6793=3...(4) HD22 ASN 26 - HG2 GLU 48 lone 6 99 - 5 - 6780/4.9=2, 9030/3.0=1 H ARG 91 - HG2 GLU 16 lone 5 68 - 7 - HE ARG 19 - HG2 GLU 16 lone 5 56 - 9 - 11050/4.1=6 HE ARG 19 - HG2 GLU 48 lone 3 87 - 3 - H ARG 91 - HG3 GLU 69 lone 3 68 - 4 - HE ARG 46 - HG3 GLU 69 lone 3 68 - 4 - HE ARG 19 - HG3 GLU 69 lone 2 56 - 4 - 10803/4.1=1 HD22 ASN 26 - HG2 GLU 16 lone 2 70 - 3 - HD22 ASN 26 - HG3 GLU 69 lone 2 70 - 3 - Peak 9037 from cnoeabs.peaks (0.67, 4.43, 55.95 ppm; 4.75 A): 4 out of 5 assignments used, quality = 0.63: QG2 VAL 58 + HA GLU 48 OK 30 100 - 30 - 9040/3.0=7, 9392/3.6=6...(7) QD2 LEU 6 + HA GLU 48 OK 23 84 - 28 - 9040/3.0=8, ~8228=4...(8) QD1 LEU 14 + HA GLU 48 OK 22 99 - 22 - 9040/3.0=5, 8417/4.1=4...(6) QD1 LEU 42 + HA GLU 48 OK 11 77 - 14 - 9040/3.0=4, ~9039=2...(5) QG2 VAL 54 - HA GLU 48 lone 6 61 - 10 - 9239/3.0=2, ~9039=2...(4) Peak 9038 from cnoeabs.peaks (0.89, 2.30, 29.70 ppm; 4.91 A): 4 out of 5 assignments used, quality = 0.82: QG2 ILE 76 + HB2 GLU 48 OK 55 99 - 56 - 9034/4.0=10, 9046/4.6=9...(17) QD1 LEU 2 + HB2 GLU 48 OK 35 98 - 36 - 8055/3.0=10, 8056/3.0=8...(9) HG13 ILE 8 + HB2 GLU 48 OK 27 100 - 27 - 3.1/8310=6, 9034/4.0=5...(10) HG13 ILE 7 + HB2 GLU 48 OK 12 99 - 12 - 9046/4.6=3, 9034/4.0=3 QG1 VAL 32 - HB2 GLU 48 poor 6 61 - 10 - 8936/4.6=1, 10519/10620=1 Peak 9039 from cnoeabs.peaks (0.77, 2.30, 29.70 ppm; 4.58 A): 6 out of 9 assignments used, quality = 0.94: QG2 ILE 52 + HB2 GLU 48 OK 75 97 - 78 - 10643/1.8=12...(24) QD1 LEU 6 + HB2 GLU 48 OK 40 100 - 40 - 2.1/8230=11, 8228=7...(12) QD1 ILE 93 + HB2 GLU 48 OK 24 100 - 24 - ~10030=7, 4166/1.8=2...(8) QG2 ILE 8 + HB2 GLU 48 OK 23 77 - 29 - 3.1/9038=6, 8310=5...(11) QG1 VAL 54 + HB2 GLU 48 OK 21 92 - 23 - 2.1/9239=6, 3.2/10204=4...(6) QD2 LEU 42 + HB2 GLU 48 OK 19 99 - 19 - 2.1/9040=4, ~9037=2...(5) QD1 ILE 15 - HB2 GLU 48 lone 6 87 - 7 - 8447/9050=1 QD1 LEU 27 - HB2 GLU 48 lone 5 100 - 5 - HG13 ILE 15 - HB2 GLU 48 lone 3 70 - 5 - Peak 9040 from cnoeabs.peaks (0.68, 2.30, 29.70 ppm; 4.49 A): 5 out of 5 assignments used, quality = 0.88: QD1 ILE 52 + HB2 GLU 48 OK 52 73 - 70 - 3.1/9039=11, 9041/1.8=10...(18) QD2 LEU 6 + HB2 GLU 48 OK 40 96 - 42 - 8230=13, 9037/3.0=7...(12) QG2 VAL 58 + HB2 GLU 48 OK 33 100 - 33 - 9037/3.0=9, 10717=5...(8) QD1 LEU 14 + HB2 GLU 48 OK 26 100 - 26 - 9037/3.0=7, 8417/3.0=4...(8) QD1 LEU 42 + HB2 GLU 48 OK 19 92 - 20 - 9037/3.0=3, 2.1/9039=3...(7) Peak 9041 from cnoeabs.peaks (0.69, 2.05, 29.70 ppm; 4.10 A): 8 out of 32 assignments used, quality = 0.92: QD1 ILE 52 + HB3 GLU 48 OK 73 99 - 73 - 9177=16, 9176/1.8=12...(16) QD2 LEU 6 + HB3 GLU 48 OK 32 99 - 33 - 8230/1.8=10, ~8228=4...(10) QD1 LEU 42 + HB3 GLU 48 OK 16 100 - 16 - 9040/1.8=3, 9036/4.0=2...(7) QD1 ILE 52 + HB2 GLU 99 OK 14 63 - 23 - 9177=4, 9177/1.8=4...(8) QD1 LEU 14 + HB3 GLU 48 OK 14 84 - 17 - 9040/1.8=4, 9037/3.0=3...(6) QD1 ILE 8 + HB3 GLU 48 OK 14 61 - 22 - ~9038=4, ~8310=3...(9) QG2 VAL 58 + HB3 GLU 48 OK 13 77 - 17 - 9040/1.8=5, 9037/3.0=4...(5) QD2 LEU 14 + HB3 GLU 48 OK 13 65 - 19 - ~9037=4, ~9040=3...(8) QD1 ILE 52 - HB2 GLU 98 poor 9 57 - 15 - 9177=3, 9177/1.8=3...(5) QD1 ILE 52 - HB3 GLU 98 poor 8 54 - 15 - 9177=3, 9177/1.8=3...(5) QD1 LEU 14 - HB2 GLU 99 lone 3 47 - 6 - ~8415=1, 8417/3.0=1 QD1 ILE 56 - HB3 GLU 48 lone 3 70 - 4 - QD2 LEU 14 - HB2 GLU 99 lone 2 35 - 6 - QD2 LEU 6 - HB2 GLU 99 lone 2 63 - 3 - QD1 LEU 42 - HB2 GLU 99 lone 2 64 - 2 - QD2 LEU 6 - HB2 GLU 98 lone 1 57 - 2 - QD2 LEU 6 - HB3 GLU 98 lone 1 54 - 2 - QD1 LEU 42 - HB2 GLU 98 lone 1 58 - 2 - QD1 LEU 42 - HB3 GLU 98 lone 1 55 - 2 - QG2 VAL 58 - HB2 GLU 99 lone 1 43 - 2 - QD1 ILE 8 - HB2 GLU 99 lone 1 32 - 2 - QD1 LEU 14 - HB2 GLU 98 lone 1 43 - 2 - QG2 VAL 58 - HB2 GLU 98 lone 1 38 - 2 - QD1 LEU 14 - HB3 GLU 98 lone 1 40 - 2 - QG2 VAL 58 - HB3 GLU 98 lone 1 36 - 2 - QD2 LEU 14 - HB2 GLU 98 lone 1 31 - 2 - QD2 LEU 14 - HB3 GLU 98 lone 0 30 - 2 - QD1 ILE 56 - HB2 GLU 99 lone 0 38 - 1 - QD1 ILE 8 - HB2 GLU 98 lone 0 29 - 1 - QD1 ILE 8 - HB3 GLU 98 lone 0 27 - 1 - QD1 ILE 56 - HB2 GLU 98 lone 0 34 - 1 - QD1 ILE 56 - HB3 GLU 98 lone 0 32 - 1 - Peak 9042 from cnoeabs.peaks (0.87, 2.43, 35.74 ppm; 4.45 A): 5 out of 18 assignments used, quality = 0.70: QG2 ILE 76 + HG3 GLU 48 OK 28 84 - 33 - 9034/4.9=6, 9038/3.0=5...(9) QD1 LEU 2 + HG3 GLU 48 OK 27 87 - 31 - 8055/1.8=8, 8056=8...(7) QD1 LEU 2 + HG3 GLU 17 OK 24 67 - 36 - 8056=8, ~12026=5...(10) HG13 ILE 8 + HG3 GLU 48 OK 14 70 - 20 - 9034/4.9=3, 2.1/9044=3...(7) QG2 ILE 76 + HG3 GLU 17 OK 13 64 - 20 - 9627/5.1=4, 9638/3.9=4...(7) QD2 LEU 64 - HG3 GLU 48 lone 8 96 - 9 - 2.1/10183=2, 4.5/2257=2 HG13 ILE 8 - HG3 GLU 17 poor 8 52 - 16 - ~12204=2, 2.1/9044=2...(7) QD2 LEU 64 - HG3 GLU 17 lone 5 76 - 6 - 2.1/10183=1 QD1 LEU 38 - HG3 GLU 48 lone 4 92 - 4 - QD1 LEU 103 - HG3 GLU 48 lone 3 98 - 3 - QD1 LEU 103 - HG3 GLU 17 lone 2 80 - 3 - QD1 LEU 2 - HG3 GLU 99 lone 2 36 - 5 - 8056=1 QD1 LEU 38 - HG3 GLU 17 lone 2 72 - 3 - QG2 ILE 76 - HG3 GLU 99 lone 1 35 - 4 - QD2 LEU 64 - HG3 GLU 99 lone 1 43 - 3 - HG13 ILE 8 - HG3 GLU 99 lone 1 27 - 3 - QD1 LEU 103 - HG3 GLU 99 lone 1 45 - 1 - QD1 LEU 38 - HG3 GLU 99 lone 1 40 - 1 - Peak 9043 from cnoeabs.peaks (0.78, 2.43, 35.74 ppm; 4.50 A): 8 out of 27 assignments used, quality = 0.90: QG2 ILE 52 + HG3 GLU 48 OK 66 99 - 67 - 3.1/9175=13...(18) QG2 ILE 8 + HG3 GLU 48 OK 24 100 - 24 - 8310/3.0=5, 3.1/9042=3...(8) QD1 LEU 6 + HG3 GLU 48 OK 22 84 - 26 - ~8230=6, ~9040=5...(7) QD1 ILE 76 + HG3 GLU 48 OK 19 70 - 27 - 3.2/9042=6, ~9038=6...(6) QG2 ILE 8 + HG3 GLU 17 OK 17 83 - 20 - 12205/3.0=3, 3.0/9044=2...(8) QG2 ILE 52 + HG3 GLU 17 OK 12 81 - 15 - 3.1/9175=3, 4.3/9179=2 QD2 LEU 42 + HG3 GLU 17 OK 11 52 - 21 - ~12026=5, ~10342=3...(8) QD1 ILE 93 + HG3 GLU 48 OK 11 81 - 13 - 9039/3.0=3, 4166/3.0=1...(4) QG2 ILE 52 - HG3 GLU 99 poor 9 46 - 19 - 3.1/9175=3, 10643/3.0=3...(9) QD2 LEU 42 - HG3 GLU 48 poor 8 70 - 11 - ~9040=2, 9039/3.0=2...(5) QD1 ILE 76 - HG3 GLU 17 poor 7 52 - 13 - 3.2/9042=3, ~9654=2...(4) QG2 ILE 7 - HG3 GLU 48 lone 6 77 - 8 - 9035/4.9=2, ~9038=1 QG2 ILE 7 - HG3 GLU 17 lone 5 58 - 8 - 8244/6271=1, 10428/3.0=1 QD1 LEU 27 - HG3 GLU 48 lone 4 77 - 5 - QD2 LEU 57 - HG3 GLU 48 lone 4 87 - 5 - 9035/4.9=1 QD1 LEU 27 - HG3 GLU 17 lone 3 58 - 6 - QD1 ILE 93 - HG3 GLU 17 lone 3 61 - 4 - 11003/6271=1 QD2 LEU 57 - HG3 GLU 17 lone 2 67 - 4 - QD1 LEU 6 - HG3 GLU 17 lone 2 64 - 4 - QD1 ILE 93 - HG3 GLU 99 lone 2 33 - 7 - QD1 LEU 27 - HG3 GLU 99 lone 2 31 - 7 - 1227/4.7=2, 10137/8095=2 QG2 ILE 8 - HG3 GLU 99 lone 2 47 - 4 - QD1 LEU 6 - HG3 GLU 99 lone 1 35 - 3 - QD1 ILE 76 - HG3 GLU 99 lone 1 27 - 3 - QD2 LEU 57 - HG3 GLU 99 lone 1 36 - 2 - QG2 ILE 7 - HG3 GLU 99 lone 1 31 - 2 - QD2 LEU 42 - HG3 GLU 99 lone 1 27 - 2 - Peak 9044 from cnoeabs.peaks (0.70, 2.43, 35.74 ppm; 4.23 A): 8 out of 24 assignments used, quality = 0.92: QD1 ILE 52 + HG3 GLU 48 OK 66 97 - 68 - 9175=19, 9177/3.0=11...(17) QD2 LEU 14 + HG3 GLU 17 OK 29 78 - 37 - 3.1/8406=7, 8415=7...(9) QD2 LEU 14 + HG3 GLU 48 OK 25 97 - 26 - 8415=5, 2.1/8417=4...(10) QD1 ILE 8 + HG3 GLU 48 OK 20 96 - 21 - ~9038=3, 2.1/9042=3...(7) QD2 LEU 6 + HG3 GLU 48 OK 19 77 - 24 - 8230/3.0=5, 9041/3.0=4...(8) QD1 ILE 8 + HG3 GLU 17 OK 14 76 - 19 - 10429/3.0=3, 12200/3.0=2...(7) QD1 ILE 52 + HG3 GLU 17 OK 12 78 - 15 - 9175=4, 9171/3.9=2...(4) QD1 LEU 42 + HG3 GLU 17 OK 11 64 - 17 - ~12026=4, 10342/3.0=3...(7) QD1 LEU 42 - HG3 GLU 48 poor 9 84 - 11 - 9036/4.9=2, 9041/3.0=2...(4) QD1 ILE 52 - HG3 GLU 99 poor 8 44 - 19 - 9175=5, 9177/3.0=3...(6) QG1 VAL 58 - HG3 GLU 48 poor 8 61 - 13 - ~9040=3, ~10717=3...(4) QD2 LEU 14 - HG3 GLU 99 poor 5 44 - 11 - 8415=2, 2.1/8417=2, 3.1/8406=2 QD1 ILE 56 - HG3 GLU 48 lone 4 98 - 4 - QD1 ILE 56 - HG3 GLU 17 lone 4 80 - 5 - HG13 ILE 56 - HG3 GLU 17 lone 3 64 - 5 - HG13 ILE 56 - HG3 GLU 48 lone 3 84 - 3 - QD2 LEU 6 - HG3 GLU 17 lone 2 58 - 3 - QG1 VAL 58 - HG3 GLU 17 lone 2 45 - 4 - QD1 ILE 8 - HG3 GLU 99 lone 1 43 - 3 - QD1 ILE 56 - HG3 GLU 99 lone 1 45 - 2 - QD2 LEU 6 - HG3 GLU 99 lone 1 31 - 2 - QD1 LEU 42 - HG3 GLU 99 lone 1 35 - 2 - HG13 ILE 56 - HG3 GLU 99 lone 0 35 - 1 - QG1 VAL 58 - HG3 GLU 99 lone 0 23 - 2 - Peak 9045 from cnoeabs.peaks (2.95, 2.43, 35.74 ppm; 4.63 A): 9 out of 33 assignments used, quality = 0.89: HB2 ASN 51 + HG3 GLU 48 OK 49 96 - 52 - 10632/3.0=16, ~9114=14...(8) HB3 PHE 45 + HG3 GLU 48 OK 26 84 - 32 - 3.0/10181=13, ~10182=8...(6) HE3 LYS 90 + HG3 GLU 17 OK 20 48 - 43 - 3.0/12232=15...(10) HE3 LYS 13 + HG3 GLU 17 OK 19 82 - 24 - 11024/1.8=6, ~11024=5...(6) HE2 LYS 13 + HG3 GLU 17 OK 19 80 - 24 - 11024/1.8=6, ~11024=5...(6) HB2 ASN 51 + HG3 GLU 17 OK 16 76 - 21 - 10633=4, 4.0/6832=3...(9) HE2 LYS 73 + HG3 GLU 17 OK 15 83 - 18 - 11024/1.8=4, 4.0/10183=3...(4) HE3 LYS 73 + HG3 GLU 17 OK 14 76 - 18 - 11024/1.8=4, ~11024=4...(4) HE3 LYS 12 + HG3 GLU 17 OK 10 70 - 15 - 11024/1.8=3, ~12233=2...(6) HG2 MET 21 - HG3 GLU 48 poor 9 81 - 11 - 979/3.0=1, 3.9/2252=1 HE2 LYS 24 - HG3 GLU 17 lone 7 76 - 10 - 11024/1.8=3, ~11024=2, ~10436=1 HE3 LYS 24 - HG3 GLU 17 lone 7 76 - 10 - 11024/1.8=3, ~11024=2, ~10436=1 HE3 LYS 90 - HG3 GLU 48 poor 7 65 - 10 - 3.0/12232=3, 1.8/12236=2 HE2 LYS 73 - HG3 GLU 48 lone 6 100 - 5 - 4.0/10183=1 HE3 LYS 73 - HG3 GLU 48 lone 5 96 - 5 - 4.0/10183=1 HE3 LYS 13 - HG3 GLU 48 lone 5 99 - 5 - HE2 LYS 13 - HG3 GLU 48 lone 5 98 - 5 - HE3 LYS 12 - HG3 GLU 48 lone 5 90 - 5 - 7.3/6149=1 HB3 PHE 45 - HG3 GLU 17 lone 4 64 - 5 - 3.0/10181=2, 11024/1.8=1 HE3 LYS 24 - HG3 GLU 48 lone 3 96 - 3 - HE2 LYS 24 - HG3 GLU 48 lone 3 96 - 3 - HG2 MET 21 - HG3 GLU 17 lone 3 61 - 4 - HB3 PHE 45 - HG3 GLU 99 lone 3 35 - 7 - ~11025=2, 3.0/10181=2 HB2 ASN 51 - HG3 GLU 99 lone 2 43 - 5 - 4.0/6832=1, 10632/2235=1 HG2 MET 21 - HG3 GLU 99 lone 2 33 - 5 - HE2 LYS 73 - HG3 GLU 99 lone 1 47 - 2 - HE3 LYS 73 - HG3 GLU 99 lone 1 43 - 2 - HE3 LYS 13 - HG3 GLU 99 lone 1 47 - 2 - HE3 LYS 90 - HG3 GLU 99 lone 1 25 - 3 - 3.0/12232=1 HE3 LYS 12 - HG3 GLU 99 lone 1 38 - 2 - HE2 LYS 13 - HG3 GLU 99 lone 1 45 - 2 - HE3 LYS 24 - HG3 GLU 99 lone 1 43 - 2 - HE2 LYS 24 - HG3 GLU 99 lone 1 43 - 2 - Peak 9049 from cnoeabs.peaks (2.41, 4.24, 59.37 ppm; 5.27 A): 5 out of 9 assignments used, quality = 0.92: HG3 GLU 48 + HA SER 49 OK 60 77 - 78 - 4.9/10189=24, ~6801=15...(13) HG2 GLN 50 + HA SER 49 OK 48 81 - 60 - 5.1/2262=21, 3.7/9075=19...(7) HG3 GLN 50 + HA SER 49 OK 42 70 - 61 - 5.1/2262=21, 3.7/9075=19...(7) HG3 GLU 17 + HA SER 49 OK 22 77 - 28 - 3.0/9052=5, 6802/2.9=4...(10) HG3 MET 21 + HA SER 49 OK 20 81 - 24 - 6815/3.6=8, 3.9/9075=5...(7) HB3 MET 21 - HA SER 49 OK 19 77 - 25 - 6815/3.6=8, 3.0/9075=6...(7) HG3 MET 1 - HA SER 49 OK 14 99 - 14 - 1.8/9051=2, ~8031=1...(6) HG2 GLN 72 - HA SER 49 OK 13 92 - 14 - 6816/3.6=4, 3.0/9051=2 HB2 ASP 11 - HA SER 49 poor 7 65 - 11 - 374/3.6=3, 4.5/2262=3 Peak 9050 from cnoeabs.peaks (2.29, 4.24, 59.37 ppm; 6.43 A): 2 out of 5 assignments used, quality = 0.97: HB2 GLU 48 + HA SER 49 OK 94 98 - 95 - 4.0/10189=37, ~6798=27...(21) HG3 GLU 16 + HA SER 49 OK 49 98 - 50 - ~6801=13, 6799/2.9=11...(12) HG2 GLU 63 - HA SER 49 OK 39 100 - 39 - 6799/2.9=9, ~2799=7...(10) HB2 TYR 4 - HA SER 49 lone 10 100 - 10 - 6799/2.9=1, 8230/9058=1 HD3 ARG 81 - HA SER 49 poor 8 73 - 11 - 6799/2.9=2...(4) Peak 9051 from cnoeabs.peaks (2.18, 4.24, 59.37 ppm; 5.11 A): 4 out of 12 assignments used, quality = 0.84: HB3 GLN 50 + HA SER 49 OK 68 99 - 69 - 4.0/2262=25, 3.0/9075=20...(9) HB3 GLU 16 + HA SER 49 OK 30 81 - 38 - ~6801=7, 3.0/9050=6...(13) HB2 GLU 63 + HA SER 49 OK 22 65 - 33 - ~2785=5, 3.0/9050=5...(9) HG2 GLU 43 + HA SER 49 OK 10 94 - 11 - ~6801=3, 1983/9077=1, ~6800=1 HB2 GLN 72 - HA SER 49 poor 10 73 - 13 - 6814/3.6=5, 3.0/9049=2...(5) HG3 GLU 75 - HA SER 49 lone 7 99 - 7 - 6814/3.6=3 HG2 GLU 75 - HA SER 49 lone 7 97 - 7 - 6814/3.6=3 HG2 MET 1 - HA SER 49 poor 6 61 - 10 - 1.8/9049=2, ~8031=1...(6) HB3 GLU 75 - HA SER 49 lone 5 92 - 5 - 6814/3.6=2 HG2 GLU 35 - HA SER 49 lone 3 70 - 5 - 2.9/9052=1 HG3 GLU 35 - HA SER 49 lone 3 70 - 5 - 2.9/9052=1 HG3 PRO 86 - HA SER 49 lone 2 73 - 3 - Peak 9052 from cnoeabs.peaks (2.02, 4.24, 59.37 ppm; 4.90 A): 4 out of 11 assignments used, quality = 0.82: HB2 GLN 50 + HA SER 49 OK 67 99 - 68 - 6813/3.6=26, 3.0/9075=19...(10) HB3 GLU 17 + HA SER 49 OK 22 87 - 25 - 2.9/2260=4, 6813/3.6=3...(11) HB3 LYS 94 + HA SER 49 OK 18 99 - 18 - 6813/3.6=4, 4198/3.0=2...(4) QE MET 74 + HA SER 49 OK 12 70 - 17 - ~10863=4, 5.3/9075=3...(4) HG12 ILE 93 - HA SER 49 poor 10 61 - 15 - 6813/3.6=2, 1.8/9057=2...(7) HB3 GLU 99 - HA SER 49 poor 8 61 - 12 - ~6800=3, 6813/3.6=2...(4) HB2 GLU 44 - HA SER 49 lone 6 65 - 8 - 3.9/9077=5, ~9068=1 HB3 GLU 44 - HA SER 49 lone 6 65 - 8 - 3.9/9077=5, ~9068=1 HB2 GLU 62 - HA SER 49 lone 5 100 - 5 - ~10742=2, 6813/3.6=1 HB3 MET 1 - HA SER 49 lone 5 73 - 6 - 3.0/9049=2, 3.0/9051=1 HB2 GLU 35 - HA SER 49 lone 4 90 - 5 - Peak 9053 from cnoeabs.peaks (1.66, 4.24, 59.37 ppm; 4.58 A): 4 out of 15 assignments used, quality = 0.91: HB ILE 52 + HA SER 49 OK 77 96 - 81 - 10646=22, 3.2/9172=16...(21) HB ILE 76 + HA SER 49 OK 36 65 - 56 - ~9065=12, 2.1/9056=10...(14) HG3 LYS 20 + HA SER 49 OK 25 87 - 28 - 3.7/2260=3, 894/3.0=3...(13) HB3 LEU 6 + HA SER 49 OK 22 81 - 27 - 4.3/8252=6, 3.1/9058=5...(10) HD3 LYS 20 - HA SER 49 OK 20 87 - 23 - 2.8/9054=3, 5.3/2260=2...(11) HD2 LYS 20 - HA SER 49 OK 17 77 - 22 - 2.8/9054=3, 5.3/2260=2...(11) HB2 LYS 40 - HA SER 49 OK 16 73 - 22 - 3.0/2261=4, 9063/3.0=2...(12) HD2 LYS 47 - HA SER 49 lone 5 65 - 8 - 6.3/9078=4, 6786/10189=1 HD3 LYS 47 - HA SER 49 lone 5 61 - 8 - 6.3/9078=4, 6786/10189=1 HD3 LYS 73 - HA SER 49 lone 5 100 - 5 - HD2 LYS 73 - HA SER 49 lone 5 99 - 5 - HD2 LYS 39 - HA SER 49 lone 4 96 - 4 - HD2 LYS 68 - HA SER 49 lone 3 92 - 3 - HD3 LYS 68 - HA SER 49 lone 3 90 - 3 - HB3 ARG 79 - HA SER 49 lone 2 96 - 2 - Peak 9054 from cnoeabs.peaks (1.46, 4.24, 59.37 ppm; 5.69 A): 2 out of 14 assignments used, quality = 0.95: HG13 ILE 52 + HA SER 49 OK 91 100 - 92 - 3.0/10646=29...(20) HG2 LYS 20 + HA SER 49 OK 42 100 - 41 - 1.8/9053=5, 9064/3.0=4...(15) HG LEU 38 - HA SER 49 OK 34 100 - 34 - 2.1/9056=10, ~9071=6...(11) HB2 LEU 38 - HA SER 49 OK 34 99 - 35 - 3.1/9056=8, ~9071=5...(11) HD2 LYS 40 - HA SER 49 OK 29 99 - 29 - 9064/3.0=3, 5.2/2261=3...(14) HD3 LYS 40 - HA SER 49 OK 29 98 - 29 - 9064/3.0=3, 5.2/2261=3...(14) HG2 LYS 12 - HA SER 49 OK 16 81 - 20 - 3.7/2261=4, 415/3.6=3...(7) HD2 LYS 82 - HA SER 49 OK 13 100 - 13 - ~10933=2, ~10928=2, ~10929=2 HB2 LEU 27 - HA SER 49 OK 10 100 - 10 - 9064/3.0=1 HG2 LYS 53 - HA SER 49 lone 10 99 - 10 - 2347/10646=1, 9064/3.0=1 HD2 LYS 53 - HA SER 49 lone 9 100 - 10 - HG3 ARG 91 - HA SER 49 lone 9 97 - 9 - 4.8/9078=2 HG3 LYS 53 - HA SER 49 lone 9 94 - 10 - 2347/10646=1 HG3 LYS 39 - HA SER 49 lone 5 65 - 8 - Peak 9055 from cnoeabs.peaks (1.02, 4.24, 59.37 ppm; 5.32 A): 0 out of 2 assignments used, low quality = 0.00: QG1 VAL 83 - HA SER 49 lone 5 90 - 6 - 9792/9110=1 HB3 LEU 55 - HA SER 49 lone 4 98 - 4 - Peak 9056 from cnoeabs.peaks (0.86, 4.24, 59.37 ppm; 4.89 A): 4 out of 5 assignments used, quality = 0.72: QD2 LEU 64 + HA SER 49 OK 37 100 - 37 - 9071/3.0=9, 2.1/9057=6...(9) QG2 ILE 76 + HA SER 49 OK 35 65 - 54 - 9071/3.0=14, 9065/3.0=10...(14) QD1 LEU 38 + HA SER 49 OK 24 99 - 24 - 9071/3.0=7, 2.1/9054=3...(8) QD1 LEU 2 + HA SER 49 OK 11 70 - 15 - 9071/3.0=3, 9046/2.9=3...(5) QD1 LEU 103 - HA SER 49 lone 8 100 - 8 - 9071/3.0=2 Peak 9057 from cnoeabs.peaks (0.75, 4.24, 59.37 ppm; 4.77 A): 7 out of 12 assignments used, quality = 0.89: QD1 ILE 15 + HA SER 49 OK 43 99 - 43 - 8447=20, 8446/3.0=6...(9) HG13 ILE 15 + HA SER 49 OK 38 100 - 38 - 2.1/8447=15, 8450/3.0=5...(9) QD1 LEU 64 + HA SER 49 OK 33 84 - 39 - 2.1/9056=12, ~9071=6...(10) QD2 LEU 42 + HA SER 49 OK 28 87 - 33 - 2.1/9058=8, 8924/3.0=5...(10) QD1 LEU 6 + HA SER 49 OK 18 73 - 24 - 2.1/9058=6, ~9073=3...(7) QG2 ILE 93 + HA SER 49 OK 11 99 - 11 - 12249/3.0=2, 3.2/9052=2...(4) HG13 ILE 93 + HA SER 49 OK 10 90 - 11 - 1.8/9052=2, ~9066=1...(4) QG1 VAL 54 - HA SER 49 lone 8 97 - 8 - 10658/3.0=2 QD1 ILE 93 - HA SER 49 lone 7 77 - 10 - 2.1/9052=2, ~6800=1 QG1 VAL 78 - HA SER 49 lone 5 94 - 6 - 10906/9056=3 QD1 LEU 27 - HA SER 49 lone 5 81 - 6 - HG3 ARG 81 - HA SER 49 lone 3 77 - 3 - Peak 9058 from cnoeabs.peaks (0.68, 4.24, 59.37 ppm; 4.79 A): 5 out of 5 assignments used, quality = 0.94: QD1 ILE 52 + HA SER 49 OK 76 92 - 83 - 3.2/10646=21, 9172=19...(21) QD1 LEU 42 + HA SER 49 OK 38 99 - 39 - 9073/3.0=6, 9067/3.0=6...(11) QD2 LEU 6 + HA SER 49 OK 32 100 - 32 - 9073/3.0=4, 9067/3.0=4...(12) QG2 VAL 58 + HA SER 49 OK 31 94 - 33 - 2661/3.6=7, 9392/2.9=6...(8) QD1 LEU 14 + HA SER 49 OK 12 97 - 13 - 9073/3.0=2, 9067/3.0=2...(4) Peak 9060 from cnoeabs.peaks (2.07, 3.98, 63.02 ppm; 6.26 A): 0 out of 10 assignments used, low quality = 0.24: HB3 LEU 38 - HB3 SER 97 OK 14 98 - 14 - 10062/4.1=6, 3.0/4355=3, ~4349=3 HB3 GLU 43 - HB3 SER 97 OK 12 100 - 12 - 10062/4.1=4, 1969/4183=2...(4) HB3 GLU 88 - HB3 SER 97 lone 8 90 - 9 - 10062/4.1=5 HG3 GLU 28 - HB3 SER 97 lone 7 100 - 7 - 10062/4.1=4 HG2 GLU 28 - HB3 SER 97 lone 7 100 - 7 - 10062/4.1=4 HB2 MET 74 - HB3 SER 97 lone 7 99 - 7 - 10062/4.1=2 HB2 GLU 16 - HB3 SER 97 lone 6 94 - 6 - 10062/4.1=3 HB3 GLU 35 - HB3 SER 97 lone 5 81 - 6 - 10062/4.1=3 HB2 MET 21 - HB3 SER 97 lone 3 73 - 4 - ~8545=1 HB3 GLU 48 - HB3 SER 97 lone 2 61 - 3 - Peak 9062 from cnoeabs.peaks (1.97, 4.06, 63.12 ppm; 5.47 A): 7 out of 10 assignments used, quality = 0.82: HB3 MET 74 + HB2 SER 49 OK 33 94 - 35 - 3.0/9074=8, 2.9/10863=7...(7) HB2 ARG 46 + HB2 SER 49 OK 30 100 - 30 - ~10173=4, 9068/1.8=3...(13) HB3 ARG 46 + HB2 SER 49 OK 27 87 - 31 - ~9068=6, ~10173=4...(13) HB2 LYS 47 + HB2 SER 49 OK 21 100 - 21 - 4.7/9079=14, 4.0/6762=2 HB3 LYS 24 + HB2 SER 49 OK 13 94 - 14 - 4.4/2263=4, 4.0/6372=3 HB2 LYS 24 + HB2 SER 49 OK 13 94 - 14 - 4.4/2263=4, 4.0/6372=3 QE MET 1 + HB2 SER 49 OK 12 99 - 12 - 8031/1.8=3, 8028/9066=2, ~9049=1 HB2 GLU 37 - HB2 SER 49 lone 10 98 - 10 - 1587/3.9=2, 9068/1.8=1...(4) HB2 LYS 73 - HB2 SER 49 lone 6 81 - 7 - HB3 LYS 73 - HB2 SER 49 lone 5 77 - 7 - Peak 9063 from cnoeabs.peaks (1.66, 4.06, 63.12 ppm; 5.60 A): 4 out of 14 assignments used, quality = 0.93: HB ILE 52 + HB2 SER 49 OK 69 84 - 82 - 10646/3.0=21...(14) HB ILE 76 + HB2 SER 49 OK 57 84 - 68 - 2.1/9065=27, ~9071=14...(11) HB2 LYS 40 + HB2 SER 49 OK 30 90 - 33 - ~9069=3, 3.0/2266=3...(15) HB3 LEU 6 + HB2 SER 49 OK 27 94 - 29 - 3.1/9067=6, ~9073=5...(9) HG3 LYS 20 - HB2 SER 49 OK 26 70 - 37 - 1.8/9064=5, 3.0/858=5...(14) HD3 LYS 20 - HB2 SER 49 OK 26 70 - 37 - 2.8/894=5, 3.5/858=4...(14) HD3 LYS 73 - HB2 SER 49 lone 8 96 - 8 - 3.6/9062=1, 3.6/9062=1 HD2 LYS 73 - HB2 SER 49 lone 8 92 - 8 - 3.6/9062=1, 3.6/9062=1 HD2 LYS 39 - HB2 SER 49 lone 6 100 - 6 - 3427/9065=1 HD2 LYS 68 - HB2 SER 49 lone 5 99 - 5 - HD3 LYS 68 - HB2 SER 49 lone 5 98 - 5 - HD3 LYS 39 - HB2 SER 49 lone 4 73 - 6 - 3427/9065=1 HB3 ARG 79 - HB2 SER 49 lone 3 100 - 3 - HG2 LYS 68 - HB2 SER 49 lone 3 77 - 4 - Peak 9064 from cnoeabs.peaks (1.46, 4.06, 63.12 ppm; 5.47 A): 4 out of 14 assignments used, quality = 0.94: HG13 ILE 52 + HB2 SER 49 OK 81 97 - 83 - 2.1/9171=20, ~9172=20...(15) HG2 LYS 20 + HB2 SER 49 OK 36 97 - 37 - 1.8/894=5, 3.0/858=5...(13) HD3 LYS 40 + HB2 SER 49 OK 30 100 - 30 - 3.5/9063=3, 9054/3.0=3...(15) HD2 LYS 40 + HB2 SER 49 OK 30 100 - 30 - 3.5/9063=3, 9054/3.0=3...(15) HG LEU 38 - HB2 SER 49 OK 29 99 - 29 - ~9071=7, ~9056=6...(8) HB2 LEU 38 - HB2 SER 49 OK 27 94 - 28 - ~9071=6, ~9056=5...(11) HG LEU 64 - HB2 SER 49 OK 21 73 - 29 - ~9071=9, ~9056=9...(5) HG2 LYS 12 - HB2 SER 49 poor 9 61 - 15 - 3.7/2266=3, 4.7/2267=3...(6) HG2 LYS 53 - HB2 SER 49 lone 9 100 - 9 - HB2 LEU 27 - HB2 SER 49 lone 9 97 - 9 - 3.1/9066=1, ~9072=1 HD2 LYS 53 - HB2 SER 49 lone 9 99 - 9 - HG3 LYS 53 - HB2 SER 49 lone 8 99 - 9 - HG3 ARG 91 - HB2 SER 49 lone 6 87 - 7 - HD2 LYS 82 - HB2 SER 49 lone 6 99 - 6 - 9054/3.0=1 Peak 9065 from cnoeabs.peaks (0.88, 4.06, 63.12 ppm; 4.31 A): 3 out of 5 assignments used, quality = 0.65: QG2 ILE 76 + HB2 SER 49 OK 51 100 - 52 - 9638=17, 9651/1.8=11...(12) HG13 ILE 8 + HB2 SER 49 OK 17 99 - 17 - 9046/3.9=4, 3.1/9066=4...(6) QD1 LEU 2 + HB2 SER 49 OK 13 100 - 13 - 9046/3.9=4, 10640/9171=2...(4) HG13 ILE 7 - HB2 SER 49 lone 7 90 - 8 - 9046/3.9=2, ~8264=2 QD1 LEU 103 - HB2 SER 49 lone 2 65 - 3 - 9071/1.8=1 Peak 9066 from cnoeabs.peaks (0.78, 4.06, 63.12 ppm; 4.03 A): 5 out of 9 assignments used, quality = 0.86: QG2 ILE 52 + HB2 SER 49 OK 68 100 - 68 - 9072/1.8=12, 3.1/9171=11...(18) QD2 LEU 42 + HB2 SER 49 OK 23 90 - 26 - 9072/1.8=5, 2.1/9067=4...(7) QD1 ILE 15 + HB2 SER 49 OK 19 65 - 29 - 9072/1.8=5, 8447/3.0=4...(11) QG2 ILE 8 + HB2 SER 49 OK 19 94 - 20 - 3.1/9065=5, 9047/3.9=3...(8) QD1 LEU 6 + HB2 SER 49 OK 17 97 - 17 - 9072/1.8=3, 2.1/9067=3...(7) QD1 ILE 93 - HB2 SER 49 poor 10 96 - 10 - 9072/1.8=2 QD1 LEU 27 - HB2 SER 49 lone 5 94 - 5 - 9072/1.8=1 QD2 LEU 57 - HB2 SER 49 lone 4 65 - 5 - 9104/4.3=2, 9047/3.9=1 QG1 VAL 54 - HB2 SER 49 lone 3 73 - 5 - 10658/1.8=1 Peak 9067 from cnoeabs.peaks (0.68, 4.06, 63.12 ppm; 5.87 A): 4 out of 5 assignments used, quality = 0.95: QD1 ILE 52 + HB2 SER 49 OK 74 84 - 88 - 9172/3.0=22, 3.1/9066=19...(18) QD1 LEU 42 + HB2 SER 49 OK 50 97 - 52 - 9073/1.8=10, 9058/3.0=9...(12) QD2 LEU 6 + HB2 SER 49 OK 36 99 - 36 - 9073/1.8=8, 9058/3.0=7...(9) QG2 VAL 58 + HB2 SER 49 OK 35 98 - 35 - 2661/4.3=8, 9073/1.8=8...(6) QD1 LEU 14 - HB2 SER 49 OK 15 99 - 15 - 9073/1.8=4, 9058/3.0=3 Peak 9068 from cnoeabs.peaks (1.99, 3.86, 63.12 ppm; 6.10 A): 4 out of 9 assignments used, quality = 0.62: QE MET 74 + HB3 SER 49 OK 31 87 - 36 - ~10863=8, 3.4/9611=6...(9) HB2 ARG 46 + HB3 SER 49 OK 27 77 - 35 - ~9062=6, 3.0/10173=6...(11) HB3 GLU 17 + HB3 SER 49 OK 14 70 - 20 - ~737=3, ~2260=3...(7) HB2 GLU 37 + HB3 SER 49 OK 11 87 - 12 - 1587/3.9=2, 4.1/2268=2...(4) HB3 GLU 44 - HB3 SER 49 poor 9 90 - 10 - 3.9/9080=3, ~9052=1 HB2 GLU 44 - HB3 SER 49 poor 9 90 - 10 - 3.9/9080=3, ~9052=1 QE MET 1 - HB3 SER 49 poor 9 84 - 11 - 8031=2, ~9049=1...(4) HB3 MET 1 - HB3 SER 49 lone 8 84 - 9 - 4.2/8031=2, ~9049=2, ~9051=1 HB2 GLU 35 - HB3 SER 49 lone 4 65 - 6 - Peak 9069 from cnoeabs.peaks (1.68, 3.86, 63.12 ppm; 5.78 A): 4 out of 17 assignments used, quality = 0.95: HB ILE 52 + HB3 SER 49 OK 79 92 - 86 - 10646/3.0=27, ~9172=18...(15) HG3 LYS 20 + HB3 SER 49 OK 43 98 - 43 - 894/1.8=5, ~9064=4...(15) HG12 ILE 15 + HB3 SER 49 OK 40 84 - 48 - ~8447=13, 2.1/9072=7...(9) HB3 LYS 40 + HB3 SER 49 OK 35 100 - 35 - 4.1/9080=5, ~9063=4...(14) HD2 LYS 20 - HB3 SER 49 OK 35 100 - 35 - ~894=4, ~9064=4, ~883=4...(14) HD3 LYS 20 - HB3 SER 49 OK 34 98 - 35 - ~894=4, ~9064=4, ~883=4...(14) HG LEU 70 - HB3 SER 49 poor 8 65 - 12 - 3.0/3141=2, 3.0/3132=2 HD3 LYS 47 - HB3 SER 49 lone 8 100 - 8 - 6786/9080=1 HD2 LYS 47 - HB3 SER 49 lone 8 100 - 8 - 6786/9080=1 HB3 ARG 91 - HB3 SER 49 lone 8 100 - 8 - HB3 LYS 53 - HB3 SER 49 lone 8 99 - 8 - HD2 LYS 73 - HB3 SER 49 lone 7 84 - 8 - 6.4/9579=1, ~9063=1 HD3 LYS 73 - HB3 SER 49 lone 6 77 - 8 - 6.4/9579=1 HD3 LYS 90 - HB3 SER 49 lone 4 73 - 5 - HD2 LYS 24 - HB3 SER 49 lone 4 77 - 5 - HG2 PRO 86 - HB3 SER 49 lone 3 87 - 4 - HD3 LYS 24 - HB3 SER 49 lone 3 73 - 5 - Peak 9070 from cnoeabs.peaks (1.45, 3.86, 63.12 ppm; 6.50 A): 3 out of 17 assignments used, quality = 0.97: HG13 ILE 52 + HB3 SER 49 OK 84 92 - 92 - ~9172=27, ~10646=24...(16) HG13 ILE 76 + HB3 SER 49 OK 67 90 - 75 - ~9065=23, 3.2/9071=18...(12) HG2 LYS 20 + HB3 SER 49 OK 46 92 - 49 - 1.8/9069=6, ~894=6...(15) HB2 LEU 38 - HB3 SER 49 OK 35 96 - 37 - 3.1/9071=10, ~9056=6...(8) HG LEU 38 - HB3 SER 49 OK 30 87 - 34 - 2.1/9071=10, ~9056=8...(6) HG2 LYS 12 - HB3 SER 49 OK 25 100 - 25 - 415/4.3=5, 4.7/2272=5...(6) HD2 LYS 40 - HB3 SER 49 OK 24 70 - 35 - 6.2/9080=5, 3.5/9069=4...(12) HD3 LYS 40 - HB3 SER 49 OK 23 65 - 35 - 6.2/9080=5, 3.5/9069=4...(12) HG3 LYS 39 - HB3 SER 49 OK 17 98 - 17 - 3.9/8950=2, 12073/9068=2 HB2 LEU 27 - HB3 SER 49 OK 11 92 - 11 - 3.1/9072=2, ~9066=1 HD2 LYS 53 - HB3 SER 49 poor 10 87 - 11 - ~9064=1 HG3 ARG 91 - HB3 SER 49 lone 9 99 - 9 - 2.8/9069=1 QB ALA 22 - HB3 SER 49 lone 8 87 - 9 - ~6344=4 HG2 LYS 53 - HB3 SER 49 poor 7 73 - 10 - ~9064=1 HD2 LYS 82 - HB3 SER 49 lone 7 87 - 8 - 9054/3.0=1 HG2 LYS 13 - HB3 SER 49 lone 7 70 - 10 - 4.8/6164=2, 3.9/8392=1 HG LEU 29 - HB3 SER 49 lone 5 87 - 6 - Peak 9071 from cnoeabs.peaks (0.86, 3.86, 63.12 ppm; 4.60 A): 3 out of 5 assignments used, quality = 0.57: QG2 ILE 76 + HB3 SER 49 OK 33 65 - 51 - 9065/1.8=11, 9056/3.0=9...(12) QD2 LEU 64 + HB3 SER 49 OK 22 100 - 22 - 9056/3.0=9, 2834/3.9=4...(5) QD1 LEU 38 + HB3 SER 49 OK 18 99 - 18 - 9056/3.0=6, ~9064=2...(5) QD1 LEU 2 - HB3 SER 49 poor 8 70 - 11 - 9065/1.8=3, 9056/3.0=3 QD1 LEU 103 - HB3 SER 49 lone 6 100 - 6 - 9056/3.0=2 Peak 9072 from cnoeabs.peaks (0.77, 3.86, 63.12 ppm; 4.03 A): 7 out of 9 assignments used, quality = 0.92: QG2 ILE 52 + HB3 SER 49 OK 66 97 - 68 - 9066/1.8=15, ~10646=11...(18) QD2 LEU 42 + HB3 SER 49 OK 30 99 - 31 - 8924=8, 9066/1.8=5...(9) QD1 ILE 15 + HB3 SER 49 OK 30 87 - 35 - 8447/3.0=7, 8446=5...(11) HG13 ILE 15 + HB3 SER 49 OK 22 70 - 31 - ~8447=6, 2.1/8446=5...(11) QD1 LEU 6 + HB3 SER 49 OK 18 100 - 18 - 9066/1.8=4, 2.1/9073=3...(7) QG2 ILE 8 + HB3 SER 49 OK 13 77 - 17 - 9066/1.8=4, ~9065=3...(7) QD1 ILE 93 + HB3 SER 49 OK 10 100 - 10 - 9066/1.8=2, 3.2/10029=1 QG1 VAL 54 - HB3 SER 49 lone 6 92 - 7 - 10658=3 QD1 LEU 27 - HB3 SER 49 lone 6 100 - 6 - 9066/1.8=1 Peak 9073 from cnoeabs.peaks (0.68, 3.86, 63.12 ppm; 5.58 A): 5 out of 5 assignments used, quality = 0.92: QD1 ILE 52 + HB3 SER 49 OK 60 73 - 82 - ~10646=17, 9172/3.0=16...(15) QD1 LEU 42 + HB3 SER 49 OK 45 92 - 49 - 9067/1.8=9, 2.1/8924=8...(12) QG2 VAL 58 + HB3 SER 49 OK 35 100 - 35 - 2661/4.3=8, 9392/3.9=7...(7) QD2 LEU 6 + HB3 SER 49 OK 33 96 - 35 - 9058/3.0=7, 9067/1.8=6...(9) QD1 LEU 14 + HB3 SER 49 OK 18 100 - 18 - 4.9/6206=3, 9067/1.8=3...(5) Peak 9074 from cnoeabs.peaks (4.39, 4.06, 63.12 ppm; 4.93 A): 4 out of 7 assignments used, quality = 0.74: HA GLN 50 + HB2 SER 49 OK 51 99 - 52 - 9075/3.0=18, ~2262=15...(8) HA MET 74 + HB2 SER 49 OK 26 94 - 28 - 3.0/9062=5, 9075/3.0=5...(7) HA MET 21 + HB2 SER 49 OK 16 70 - 23 - 6812/4.3=6, 9075/3.0=5...(7) HA ALA 25 + HB2 SER 49 OK 14 61 - 23 - ~10334=6, 3.0/2263=5...(7) HA VAL 32 - HB2 SER 49 poor 9 70 - 13 - 9075/3.0=4, ~6506=3...(4) HA HIS 106 - HB2 SER 49 lone 4 84 - 4 - 6812/4.3=1 HA SER 102 - HB2 SER 49 lone 2 81 - 2 - Peak 9075 from cnoeabs.peaks (4.40, 4.24, 59.37 ppm; 4.20 A): 5 out of 6 assignments used, quality = 0.81: HA GLN 50 + HA SER 49 OK 63 100 - 63 - 3.0/2262=23, 3.6/9110=12...(10) HA MET 74 + HA SER 49 OK 18 100 - 18 - 9074/3.0=5, 6812/3.6=3...(7) HA MET 21 + HA SER 49 OK 17 90 - 19 - 6812/3.6=5, 9074/3.0=3...(7) HA ALA 25 + HA SER 49 OK 15 84 - 18 - ~10334=3, 3.0/2258=3...(8) HA VAL 32 + HA SER 49 OK 12 90 - 13 - 3.0/6506=5, 9074/3.0=2...(4) HA HIS 106 - HA SER 49 lone 3 97 - 3 - Peak 9077 from cnoeabs.peaks (7.60, 4.24, 59.37 ppm; 4.76 A): 2 out of 3 assignments used, quality = 0.71: H GLU 48 + HA SER 49 OK 66 84 - 79 - 10189=31, 6797/2.9=23...(12) H GLU 44 + HA SER 49 OK 14 100 - 14 - 6797/2.9=3, 6700/3.0=2...(4) HD22 ASN 10 - HA SER 49 lone 9 100 - 9 - 6797/2.9=4, 9079/3.0=1 Peak 9078 from cnoeabs.peaks (7.49, 4.24, 59.37 ppm; 5.12 A): 4 out of 6 assignments used, quality = 0.80: H ILE 52 + HA SER 49 OK 63 97 - 65 - 3.8/10646=21...(7) H LYS 47 + HA SER 49 OK 32 77 - 41 - 4.6/10189=25...(5) HZ2 TRP 92 + HA SER 49 OK 11 99 - 11 - 2342/10646=3...(4) HE ARG 46 + HA SER 49 OK 10 70 - 15 - 9076/2.9=3, ~2105=3...(7) H ARG 91 - HA SER 49 lone 6 70 - 9 - 9076/2.9=3, 6780/10189=2 HD22 ASN 26 - HA SER 49 lone 2 61 - 3 - 9076/2.9=1 Peak 9079 from cnoeabs.peaks (7.61, 4.06, 63.12 ppm; 5.44 A): 5 out of 5 assignments used, quality = 0.93: H GLU 48 + HB2 SER 49 OK 82 100 - 82 - 10189/3.0=37...(13) HE22 GLN 50 + HB2 SER 49 OK 35 94 - 38 - 9085/4.3=12, 5.7/9074=10...(7) H LYS 40 + HB2 SER 49 OK 16 65 - 25 - 9080/1.8=6, 2.9/2266=3...(8) H GLU 44 + HB2 SER 49 OK 14 84 - 17 - 9077/3.0=5, 9080/1.8=3...(4) HD22 ASN 10 + HB2 SER 49 OK 12 94 - 13 - 6797/3.9=4, 9077/3.0=3...(4) Peak 9080 from cnoeabs.peaks (7.62, 3.86, 63.12 ppm; 5.69 A): 5 out of 5 assignments used, quality = 0.93: H GLU 48 + HB3 SER 49 OK 80 99 - 81 - 10189/3.0=39...(8) HE22 GLN 50 + HB3 SER 49 OK 34 99 - 34 - 9085/4.3=15, 9079/1.8=9...(5) H LYS 40 + HB3 SER 49 OK 28 84 - 33 - 9079/1.8=4, 4.1/9069=3...(14) H GLU 44 + HB3 SER 49 OK 15 65 - 23 - 9079/1.8=4, 9077/3.0=3...(7) HD22 ASN 10 + HB3 SER 49 OK 11 81 - 14 - 6797/3.9=4, 9079/1.8=3...(5) Peak 9081 from cnoeabs.peaks (7.62, 2.43, 33.91 ppm; 4.22 A): 1 out of 8 assignments used, quality = 1.00: * HE22 GLN 50 + HG3 GLN 50 OK 100 100 - 100 - 3.5=100 H GLU 48 - HG3 GLN 50 OK 38 96 - 40 - 6794=8, 9096/3.7=8...(10) HE22 GLN 50 - HG2 GLN 72 OK 28 78 - 36 - 3.5/2302=7, 9087=7...(9) H GLU 48 - HG2 GLN 72 poor 10 71 - 14 - 6794=3, 6781/3.9=1...(6) H LYS 40 - HG3 GLN 50 lone 7 94 - 8 - 9095/1.8=2, 9096/3.7=2 HD22 ASN 10 - HG3 GLN 50 lone 5 65 - 8 - 3.5/8360=2, 3.5/8358=1 H LYS 40 - HG2 GLN 72 lone 2 69 - 3 - HD22 ASN 10 - HG2 GLN 72 lone 1 44 - 3 - Peak 9095 from cnoeabs.peaks (7.62, 2.40, 33.91 ppm; 4.19 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 50 + HG2 GLN 50 OK 100 100 - 100 - 3.5=100 H GLU 48 - HG2 GLN 50 OK 25 96 - 26 - 9096/3.7=8, 9081/1.8=7...(6) H LYS 40 - HG2 GLN 50 lone 7 94 - 7 - 9096/3.7=2, 9081/1.8=1 HD22 ASN 10 - HG2 GLN 50 lone 4 65 - 6 - ~8360=1, 9081/1.8=1 Peak 9096 from cnoeabs.peaks (7.62, 4.40, 56.27 ppm; 4.06 A): 2 out of 4 assignments used, quality = 0.73: * HE22 GLN 50 + HA GLN 50 OK 62 100 - 63 - 5.7=37, 9087/3.7=16...(5) H GLU 48 + HA GLN 50 OK 28 96 - 30 - ~12314=8, 9097/3.0=7...(8) H LYS 40 - HA GLN 50 lone 6 94 - 7 - 9097/3.0=2, ~6811=1, 9095/3.7=1 HD22 ASN 10 - HA GLN 50 lone 2 65 - 4 - Peak 9098 from cnoeabs.peaks (0.83, 2.40, 33.91 ppm; 6.30 A): 5 out of 8 assignments used, quality = 0.80: QD2 LEU 38 + HG2 GLN 50 OK 38 99 - 39 - ~12293=16, ~10626=12...(8) QD2 LEU 2 + HG2 GLN 50 OK 35 61 - 58 - 12038/3.5=21, ~10629=13...(8) QD2 LEU 103 + HG2 GLN 50 OK 27 100 - 27 - ~12293=11, ~10626=9...(4) QD1 LEU 57 + HG2 GLN 50 OK 21 100 - 21 - 2648/5.1=7, 9094/3.5=7...(6) QG2 VAL 32 + HG2 GLN 50 OK 13 99 - 13 - 3.2/2298=2, 9094/3.5=2...(6) QD1 LEU 70 - HG2 GLN 50 lone 7 87 - 8 - 9094/3.5=2, 9092/3.5=1 QD2 LEU 70 - HG2 GLN 50 lone 4 57 - 8 - 9094/3.5=2, 9092/3.5=2 QG2 ILE 15 - HG2 GLN 50 lone 4 65 - 6 - 9094/3.5=1 Peak 9100 from cnoeabs.peaks (0.78, 2.43, 33.91 ppm; 5.53 A): 5 out of 18 assignments used, quality = 0.79: QG2 ILE 52 + HG3 GLN 50 OK 50 100 - 51 - 9167/1.8=13, ~9103=11...(10) QD1 ILE 93 + HG3 GLN 50 OK 36 96 - 37 - 10996/1.8=6, ~2299=4...(13) QG2 ILE 8 + HG3 GLN 50 OK 17 94 - 18 - ~9103=3, ~10629=2...(5) QD1 LEU 27 + HG2 GLN 72 OK 13 69 - 20 - 10847/4.8=6, ~9566=4...(6) QG2 ILE 52 + HG2 GLN 72 OK 10 78 - 13 - 4.3/9179=2, 3.1/9175=2...(5) QG2 ILE 8 - HG2 GLN 72 poor 9 69 - 14 - ~9565=3, ~9563=2...(4) QD1 LEU 27 - HG3 GLN 50 lone 9 94 - 9 - 10485/2.9=2 QD1 ILE 93 - HG2 GLN 72 poor 9 71 - 12 - 10847/4.8=3, ~9566=2, 3.1/9569=1 QD2 LEU 42 - HG3 GLN 50 lone 8 90 - 9 - ~9103=4 QD2 LEU 57 - HG3 GLN 50 poor 7 65 - 11 - ~9098=4, 9104/5.1=3, 10421/2.9=1 QG1 VAL 54 - HG2 GLN 72 poor 7 50 - 14 - 10847/4.8=8, ~9563=1 QD1 LEU 6 - HG3 GLN 50 lone 6 97 - 6 - ~9103=2 QD1 ILE 15 - HG3 GLN 50 lone 5 65 - 8 - 8438/5.1=3 QD2 LEU 57 - HG2 GLN 72 poor 5 44 - 12 - ~9342=4, ~9341=3, 9343/3.5=2 QD2 LEU 42 - HG2 GLN 72 lone 5 64 - 7 - 10847/4.8=3 QG1 VAL 54 - HG3 GLN 50 lone 4 73 - 6 - QD1 LEU 6 - HG2 GLN 72 lone 4 72 - 5 - 10847/4.8=1 QD1 ILE 15 - HG2 GLN 72 lone 4 44 - 8 - 10847/4.8=3 Peak 9103 from cnoeabs.peaks (0.70, 2.02, 28.95 ppm; 4.78 A): 0 out of 8 assignments used, low quality = 0.30: QD1 ILE 52 - HB2 GLN 50 OK 30 100 - 30 - 9175/2.9=7, ~9167=5...(9) QD1 ILE 8 - HB2 GLN 50 poor 9 84 - 11 - 2.1/10629=4, ~9100=1...(4) QD1 LEU 42 - HB2 GLN 50 lone 8 96 - 8 - 4.7/10590=4 QD2 LEU 14 - HB2 GLN 50 lone 8 87 - 9 - 8415/2.9=2, ~8417=1 QD1 LEU 14 - HB2 GLN 50 lone 5 61 - 8 - ~8415=1 QD2 LEU 6 - HB2 GLN 50 lone 4 92 - 4 - QD1 ILE 56 - HB2 GLN 50 lone 2 90 - 2 - HG13 ILE 56 - HB2 GLN 50 lone 1 65 - 2 - Peak 9111 from cnoeabs.peaks (2.00, 2.95, 39.58 ppm; 4.78 A): 5 out of 7 assignments used, quality = 0.94: HB3 MET 1 + HB2 ASN 51 OK 83 100 - 84 - 3.0/9131=24, ~8006=20...(15) HB2 GLU 44 + HB2 ASN 51 OK 32 100 - 32 - 8978=6, 1.8/8978=5...(10) HB3 GLU 44 + HB2 ASN 51 OK 32 100 - 32 - 8978=6, 1.8/8978=5...(10) HB3 GLU 17 + HB2 ASN 51 OK 20 97 - 20 - 3.0/10633=3, 9118/3.5=3...(8) QE MET 74 + HB2 ASN 51 OK 11 100 - 11 - 9118/3.5=2, 9124/3.5=2...(4) HB2 GLU 35 - HB2 ASN 51 lone 6 96 - 7 - 4/9131=1, 39/8030=1, 9118/3.5=1 HB2 GLU 62 - HB2 ASN 51 lone 2 73 - 2 - Peak 9114 from cnoeabs.peaks (2.30, 2.67, 39.58 ppm; 4.66 A): 2 out of 7 assignments used, quality = 0.60: HB2 GLU 48 + HB3 ASN 51 OK 53 99 - 54 - 10632/1.8=20, ~9123=7...(12) HG3 GLU 16 + HB3 ASN 51 OK 14 99 - 14 - 10632/1.8=6, ~12281=4, ~9123=2 HB2 TYR 41 - HB3 ASN 51 lone 5 90 - 6 - 9123/3.5=2, 10632/1.8=1 HD3 ARG 81 - HB3 ASN 51 lone 4 99 - 4 - 10632/1.8=2, 9123/3.5=1 HG2 GLU 63 - HB3 ASN 51 lone 4 96 - 4 - 10632/1.8=2 HG3 GLU 43 - HB3 ASN 51 lone 3 61 - 4 - 9123/3.5=2 HB2 TYR 4 - HB3 ASN 51 lone 2 87 - 2 - 10632/1.8=1 Peak 9115 from cnoeabs.peaks (1.99, 2.67, 39.58 ppm; 4.57 A): 4 out of 9 assignments used, quality = 0.91: QE MET 1 + HB3 ASN 51 OK 65 90 - 72 - 8032/3.0=30, 8030/1.8=19...(9) HB3 MET 1 + HB3 ASN 51 OK 59 77 - 76 - 3.0/8006=24, ~8003=16...(14) HB2 GLU 44 + HB3 ASN 51 OK 21 84 - 25 - ~9111=5, 9111/1.8=5...(10) HB3 GLU 44 + HB3 ASN 51 OK 21 84 - 25 - ~9111=5, 9111/1.8=5...(10) HB3 GLU 17 - HB3 ASN 51 poor 9 61 - 14 - 9111/1.8=3, ~10633=2...(7) QE MET 74 - HB3 ASN 51 poor 8 81 - 10 - 9154/4.6=2, 9124/3.5=2...(4) HB2 GLU 37 - HB3 ASN 51 lone 5 92 - 5 - 9154/4.6=1 HB2 LYS 47 - HB3 ASN 51 lone 4 61 - 6 - 7/8006=1 HB2 ARG 46 - HB3 ASN 51 lone 3 84 - 3 - Peak 9116 from cnoeabs.peaks (0.79, 2.67, 39.58 ppm; 5.00 A): 6 out of 8 assignments used, quality = 0.90: QD1 ILE 76 + HB3 ASN 51 OK 46 96 - 48 - 3.2/10634=16...(9) QD2 LEU 2 + HB3 ASN 51 OK 42 73 - 57 - 2.1/10631=15, ~10127=13...(9) QG2 ILE 52 + HB3 ASN 51 OK 38 81 - 47 - 4.0/6856=24, 9107/4.0=9...(9) QD2 LEU 57 + HB3 ASN 51 OK 26 100 - 26 - 2640/4.0=6, ~9121=5...(7) QG2 ILE 8 + HB3 ASN 51 OK 19 98 - 19 - 6861/4.6=4, 10636/1.8=4...(6) QG2 ILE 7 + HB3 ASN 51 OK 18 98 - 18 - ~9126=2, ~9120=2...(7) QD2 LEU 70 - HB3 ASN 51 lone 5 77 - 6 - QG2 ILE 15 - HB3 ASN 51 lone 3 70 - 5 - Peak 9131 from cnoeabs.peaks (4.17, 2.95, 39.58 ppm; 4.48 A): 2 out of 6 assignments used, quality = 0.78: HA MET 1 + HB2 ASN 51 OK 75 96 - 79 - 8006/1.8=28, 8003/3.0=27...(12) HA LYS 73 + HB2 ASN 51 OK 10 98 - 10 - 9134/1.8=3, 3236=1, 3.0/7212=1 HA GLN 72 - HB2 ASN 51 lone 8 90 - 9 - 9134/1.8=2, 3.9/10633=1...(5) HA LYS 13 - HB2 ASN 51 lone 7 90 - 8 - 9134/1.8=2, 9130/3.5=1 HA GLU 23 - HB2 ASN 51 lone 4 61 - 7 - ~6359=2, 9134/1.8=2, 9130/3.5=1 HB2 SER 59 - HB2 ASN 51 lone 4 97 - 4 - 9134/1.8=1 Peak 9132 from cnoeabs.peaks (4.44, 2.95, 39.58 ppm; 6.50 A): 3 out of 4 assignments used, quality = 0.82: HA GLU 48 + HB2 ASN 51 OK 57 90 - 64 - 3.0/10632=30, ~9114=25...(8) HA ILE 76 + HB2 ASN 51 OK 48 90 - 53 - ~10634=20, ~10631=14...(9) HB THR 84 + HB2 ASN 51 OK 20 100 - 19 - 3769/3.5=5, ~3774=4...(5) HA SER 9 - HB2 ASN 51 lone 8 92 - 8 - 9139/4.6=2 Peak 9134 from cnoeabs.peaks (4.16, 2.67, 39.58 ppm; 4.73 A): 2 out of 7 assignments used, quality = 0.88: HA MET 1 + HB3 ASN 51 OK 86 100 - 86 - 8006=38, 8003/3.0=33...(11) HA LYS 73 + HB3 ASN 51 OK 12 87 - 13 - 9131/1.8=4, 5.1/10634=3, ~7212=1 HA LYS 13 - HB3 ASN 51 lone 9 99 - 9 - 9131/1.8=3, 9130/3.5=2 HA GLN 72 - HB3 ASN 51 lone 7 99 - 7 - 9131/1.8=3, 9130/3.5=2 HA GLU 23 - HB3 ASN 51 lone 6 84 - 8 - ~6359=3, 9130/3.5=2, 9131/1.8=2 HB2 SER 59 - HB3 ASN 51 lone 4 100 - 4 - 9131/1.8=2 HA LYS 47 - HB3 ASN 51 lone 3 73 - 5 - 9130/3.5=1 Peak 9140 from cnoeabs.peaks (6.43, 5.34, 59.36 ppm; 5.71 A): 4 out of 8 assignments used, quality = 0.93: HD1 TYR 4 + HA ILE 52 OK 61 98 - 63 - 9143/3.2=13, 9146/3.8=10...(17) HD2 TYR 4 + HA ILE 52 OK 61 98 - 62 - 9143/3.2=13, 9146/3.8=10...(17) HE1 TYR 4 + HA ILE 52 OK 36 65 - 55 - 9143/3.2=10, ~9143=10...(14) HE2 TYR 4 + HA ILE 52 OK 31 57 - 53 - ~9143=10, 9143/3.2=9...(14) HD1 TYR 4 - HA THR 80 poor 7 52 - 13 - 9143/2351=2, 8040/8047=2...(5) HD2 TYR 4 - HA THR 80 poor 7 52 - 13 - 9143/2351=2, 8040/8047=2...(5) HE1 TYR 4 - HA THR 80 poor 3 30 - 11 - 8040/8047=1, 9143/2351=1 HE2 TYR 4 - HA THR 80 poor 3 25 - 10 - 8040/8047=1, 9143/2351=1 Peak 9141 from cnoeabs.peaks (5.01, 5.34, 59.36 ppm; 5.82 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9142 from cnoeabs.peaks (6.45, 1.67, 42.16 ppm; 4.35 A): 4 out of 4 assignments used, quality = 0.96: HE1 TYR 4 + HB ILE 52 OK 57 100 - 57 - 9148/3.2=9, 8156/3.0=8...(16) HE2 TYR 4 + HB ILE 52 OK 56 100 - 56 - 9148/3.2=9, 8156/3.0=8...(16) HD1 TYR 4 + HB ILE 52 OK 53 87 - 61 - 9143/2.1=10, 9148/3.2=9...(19) HD2 TYR 4 + HB ILE 52 OK 52 87 - 60 - 9143/2.1=9, 9148/3.2=9...(19) Peak 9143 from cnoeabs.peaks (6.43, 0.78, 17.78 ppm; 3.28 A): 4 out of 8 assignments used, quality = 0.84: HD1 TYR 4 + QG2 ILE 52 OK 43 100 - 43 - 9148/3.1=5, 2.5/8158=5...(21) HD2 TYR 4 + QG2 ILE 52 OK 43 100 - 43 - 9148/3.1=5, 2.5/8158=4...(20) HE1 TYR 4 + QG2 ILE 52 OK 32 87 - 37 - 9148/3.1=5, 9142/2.1=4...(18) HE2 TYR 4 + QG2 ILE 52 OK 30 81 - 37 - 9148/3.1=5, 9142/2.1=4...(18) HD1 TYR 4 - QG2 ILE 8 lone 2 45 - 5 - HD2 TYR 4 - QG2 ILE 8 lone 2 45 - 5 - HE1 TYR 4 - QG2 ILE 8 lone 1 34 - 4 - HE2 TYR 4 - QG2 ILE 8 lone 1 31 - 4 - Peak 9144 from cnoeabs.peaks (6.68, 0.78, 17.78 ppm; 4.91 A): 2 out of 4 assignments used, quality = 0.53: HD1 PHE 45 + QG2 ILE 52 OK 31 65 - 48 - 9147/3.1=20, 3.7/9166=10...(9) HD2 PHE 45 + QG2 ILE 52 OK 31 65 - 48 - 9147/3.1=20, 3.7/9166=10...(9) HD1 PHE 45 - QG2 ILE 8 lone 2 24 - 9 - 3.7/8994=2, 4.2/8996=1 HD2 PHE 45 - QG2 ILE 8 lone 2 24 - 9 - 3.7/8994=2, 4.2/8996=1 Peak 9145 from cnoeabs.peaks (6.45, 1.04, 27.19 ppm; 4.66 A): 4 out of 4 assignments used, quality = 0.97: HE1 TYR 4 + HG12 ILE 52 OK 65 100 - 65 - 9148/2.1=11, 9142/3.0=9...(19) HE2 TYR 4 + HG12 ILE 52 OK 65 100 - 65 - 9148/2.1=11, 9142/3.0=9...(18) HD1 TYR 4 + HG12 ILE 52 OK 53 81 - 65 - 9148/2.1=12, 9142/3.0=9...(19) HD2 TYR 4 + HG12 ILE 52 OK 52 81 - 65 - 9148/2.1=12, 9142/3.0=8...(19) Peak 9146 from cnoeabs.peaks (6.43, 1.46, 27.19 ppm; 4.43 A): 4 out of 12 assignments used, quality = 0.97: HD1 TYR 4 + HG13 ILE 52 OK 67 100 - 67 - 9143/3.2=11, 9148/2.1=10...(21) HD2 TYR 4 + HG13 ILE 52 OK 67 100 - 67 - 9143/3.2=11, 9148/2.1=10...(21) HE1 TYR 4 + HG13 ILE 52 OK 49 87 - 57 - 9148/2.1=10, 9143/3.2=8...(16) HE2 TYR 4 + HG13 ILE 52 OK 45 81 - 56 - 9148/2.1=9, 9143/3.2=8...(16) HD1 TYR 4 - HG LEU 38 lone 8 91 - 9 - 14599/2.1=1 HD2 TYR 4 - HG LEU 38 lone 8 91 - 9 - 14599/2.1=1 HE1 TYR 4 - HG LEU 38 lone 5 74 - 7 - HE2 TYR 4 - HG LEU 38 lone 5 68 - 7 - HD1 TYR 4 - HG3 ARG 91 lone 2 48 - 4 - HD2 TYR 4 - HG3 ARG 91 lone 2 48 - 4 - HE1 TYR 4 - HG3 ARG 91 lone 1 37 - 3 - HE2 TYR 4 - HG3 ARG 91 lone 1 33 - 3 - Peak 9147 from cnoeabs.peaks (6.68, 0.69, 14.38 ppm; 4.03 A): 2 out of 2 assignments used, quality = 0.50: HD1 PHE 45 + QD1 ILE 52 OK 30 65 - 45 - 4.2/9170=15, 9144/3.1=10...(9) HD2 PHE 45 + QD1 ILE 52 OK 30 65 - 45 - 4.2/9170=15, 9144/3.1=10...(9) Peak 9148 from cnoeabs.peaks (6.44, 0.69, 14.38 ppm; 3.61 A): 4 out of 4 assignments used, quality = 0.92: HD1 TYR 4 + QD1 ILE 52 OK 48 94 - 51 - 9143/3.1=7, 14577=6...(19) HD2 TYR 4 + QD1 ILE 52 OK 48 94 - 51 - 9143/3.1=7, 14577=6...(19) HE1 TYR 4 + QD1 ILE 52 OK 47 100 - 47 - 9145/2.1=6, 2.5/14577=5...(17) HE2 TYR 4 + QD1 ILE 52 OK 45 99 - 46 - 9145/2.1=6, 2.5/14577=5...(16) Peak 9149 from cnoeabs.peaks (7.61, 0.69, 14.38 ppm; 5.23 A): 4 out of 5 assignments used, quality = 0.92: H GLU 48 + QD1 ILE 52 OK 77 100 - 78 - 9036=20, 3.0/9173=15...(18) H GLU 44 + QD1 ILE 52 OK 40 90 - 45 - 4.6/9152=13, 4.6/6690=6...(14) HE22 GLN 50 + QD1 ILE 52 OK 26 90 - 29 - 4.5/9103=13, 3.5/9175=7...(5) H LYS 40 + QD1 ILE 52 OK 19 57 - 33 - 3.6/8953=6, 4.6/8870=5...(12) HD22 ASN 10 - QD1 ILE 52 poor 10 97 - 10 - ~8357=2, 2237/9177=1 Peak 9150 from cnoeabs.peaks (7.72, 0.69, 14.38 ppm; 5.47 A): 4 out of 4 assignments used, quality = 0.94: H SER 49 + QD1 ILE 52 OK 84 96 - 88 - 2.9/9172=28, 9048=19...(17) H LEU 64 + QD1 ILE 52 OK 39 100 - 39 - 3.6/9460=7, 4.6/9462=5...(10) H ASN 60 + QD1 ILE 52 OK 21 84 - 25 - 9420=5, 4.6/9408=3...(5) H ALA 25 + QD1 ILE 52 OK 14 97 - 15 - 4.6/8602=2 Peak 9151 from cnoeabs.peaks (8.04, 0.69, 14.38 ppm; 5.12 A): 2 out of 3 assignments used, quality = 0.59: H ARG 46 + QD1 ILE 52 OK 49 81 - 61 - 3.6/9170=25, 4.6/9152=13...(13) H LYS 90 + QD1 ILE 52 OK 20 94 - 21 - 9943=6, 3.6/9930=4...(5) H GLY 101 - QD1 ILE 52 lone 6 81 - 7 - Peak 9152 from cnoeabs.peaks (8.26, 0.69, 14.38 ppm; 5.66 A): 4 out of 4 assignments used, quality = 0.89: H PHE 45 + QD1 ILE 52 OK 77 99 - 78 - 3.0/9170=30, 4.6/9151=20...(15) H ALA 71 + QD1 ILE 52 OK 28 99 - 28 - 4.6/9542=5, 4.1/9543=4...(10) H LYS 94 + QD1 ILE 52 OK 22 100 - 22 - 7511/3.1=2, 6698/6690=1...(5) H GLU 23 + QD1 ILE 52 OK 11 87 - 12 - 4.6/8602=2, ~10463=2 Peak 9155 from cnoeabs.peaks (0.59, 5.34, 59.36 ppm; 5.09 A): 2 out of 2 assignments used, quality = 0.76: QG2 ILE 56 + HA THR 80 OK 52 54 - 96 - 9734/3.2=45, 9310/3.6=34...(20) QG2 ILE 56 + HA ILE 52 OK 50 99 - 50 - 9307=17, 2.1/9302=11...(11) Peak 9156 from cnoeabs.peaks (0.42, 5.34, 59.36 ppm; 4.74 A): 4 out of 4 assignments used, quality = 0.85: HG2 ARG 81 + HA ILE 52 OK 55 96 - 58 - 1.8/10923=12, 3.9/9741=9...(16) HG2 ARG 81 + HA THR 80 OK 41 49 - 84 - 10917/3.2=35...(13) QD1 LEU 55 + HA ILE 52 OK 26 73 - 36 - 3.1/2338=5, 9252/3.0=4...(15) QD1 LEU 55 + HA THR 80 OK 21 34 - 62 - 9280/3.6=18, 9716/2.9=12...(17) Peak 9157 from cnoeabs.peaks (0.25, 5.34, 59.36 ppm; 5.49 A): 2 out of 2 assignments used, quality = 0.86: QD2 LEU 3 + HA ILE 52 OK 80 96 - 84 - 9182/3.6=28, 8102=26...(14) QD2 LEU 3 + HA THR 80 OK 28 49 - 57 - 8102=17, 2.1/8104=13...(10) Peak 9158 from cnoeabs.peaks (1.32, 5.34, 59.36 ppm; 4.32 A): 4 out of 8 assignments used, quality = 0.82: HB3 LEU 2 + HA ILE 52 OK 57 77 - 74 - 1.8/8046=20, 4.0/8044=15...(13) HG LEU 3 + HA ILE 52 OK 31 61 - 51 - 2.1/9157=17, 2.1/8103=12...(10) HB3 LEU 42 + HA ILE 52 OK 28 77 - 36 - 9184/3.6=5, 3.1/2337=4...(15) HB3 LEU 2 + HA THR 80 OK 15 36 - 42 - 1.8/8046=13, 4.0/8044=9...(8) QB ALA 67 - HA ILE 52 poor 9 61 - 14 - 2.9/2341=3, 9184/3.6=2...(6) HG LEU 3 - HA THR 80 poor 8 27 - 27 - 2.1/8102=9, 2.1/8103=7...(6) QB ALA 67 - HA THR 80 poor 5 27 - 18 - ~9518=8, 9325/9307=2...(6) HB3 LEU 42 - HA THR 80 lone 2 36 - 5 - Peak 9159 from cnoeabs.peaks (1.98, 5.34, 59.36 ppm; 5.17 A): 6 out of 20 assignments used, quality = 0.93: QE MET 1 + HA ILE 52 OK 83 100 - 83 - 8033=31, 8037/3.0=27...(13) QE MET 1 + HA THR 80 OK 29 55 - 52 - 8033=17, 3.3/8034=12...(10) HB3 MET 74 + HA ILE 52 OK 13 84 - 16 - ~12317=5, ~9598=3...(5) HB2 ARG 46 + HA ILE 52 OK 13 100 - 13 - ~9164=2, 10179/3.8=2...(4) HB2 GLU 37 + HA ILE 52 OK 13 100 - 13 - 8837/3.2=4, 9154/3.0=2...(4) HB2 LYS 47 + HA ILE 52 OK 11 97 - 12 - 7/8004=2, 28/8034=2...(4) HB2 LYS 73 - HA ILE 52 poor 9 65 - 13 - ~10851=2, 3.6/2336=2...(4) HB3 ARG 46 - HA ILE 52 lone 7 73 - 10 - ~9164=2, ~9026=2...(4) HB3 LYS 73 - HA ILE 52 poor 7 61 - 11 - ~10851=2, 3.6/2336=2...(4) HB3 LYS 24 - HA ILE 52 lone 6 84 - 7 - HB2 LYS 24 - HA ILE 52 lone 6 84 - 7 - HB2 LYS 47 - HA THR 80 lone 3 51 - 6 - 7/8004=1 HB2 ARG 46 - HA THR 80 lone 2 55 - 4 - HB2 GLU 37 - HA THR 80 lone 2 55 - 4 - HB3 LYS 24 - HA THR 80 lone 2 40 - 4 - HB2 LYS 24 - HA THR 80 lone 2 40 - 4 - HB2 LYS 73 - HA THR 80 lone 1 30 - 5 - HB3 MET 74 - HA THR 80 lone 1 40 - 3 - HB3 ARG 46 - HA THR 80 lone 1 34 - 3 - HB3 LYS 73 - HA THR 80 lone 1 27 - 3 - Peak 9160 from cnoeabs.peaks (2.20, 5.34, 59.36 ppm; 5.35 A): 3 out of 18 assignments used, quality = 0.92: HG2 MET 1 + HA ILE 52 OK 85 100 - 85 - 8034=30, 3.3/8033=23...(15) HG2 MET 1 + HA THR 80 OK 31 55 - 56 - 8034=18, 1.8/8035=13...(8) HB2 GLU 63 + HA ILE 52 OK 25 100 - 25 - 10744/3.2=8, 9461/4.1=5...(6) HB2 GLU 95 - HA ILE 52 OK 20 97 - 21 - ~10041=9, ~10421=3...(5) HG2 GLU 43 - HA ILE 52 OK 16 94 - 17 - ~10603=3, ~10645=2...(6) HG2 GLU 35 - HA ILE 52 OK 16 100 - 16 - 5/8004=2, 6006/8044=2...(6) HG3 GLU 35 - HA ILE 52 OK 16 100 - 16 - 5/8004=2, 6006/8044=2...(6) HG3 PRO 86 - HA ILE 52 OK 15 100 - 15 - 9180/3.6=2, 6006/8044=1...(6) HG3 PRO 86 - HA THR 80 OK 13 55 - 23 - 9890/3.0=4, ~9886=4...(6) HG3 GLU 35 - HA THR 80 lone 5 55 - 9 - 5/8004=1 HG2 GLU 35 - HA THR 80 lone 5 55 - 9 - 5/8004=1 HB3 GLU 75 - HA ILE 52 lone 4 96 - 5 - HG2 GLU 98 - HA ILE 52 lone 4 65 - 6 - ~10643=1, ~10644=1 HB2 GLU 63 - HA THR 80 lone 3 56 - 6 - 10744/2351=1 HG2 GLU 43 - HA THR 80 lone 2 48 - 5 - HB2 GLU 95 - HA THR 80 lone 2 51 - 4 - HB3 GLU 75 - HA THR 80 lone 2 49 - 3 - HG2 GLU 98 - HA THR 80 lone 1 30 - 2 - Peak 9162 from cnoeabs.peaks (5.15, 0.78, 17.78 ppm; 4.79 A): 3 out of 6 assignments used, quality = 0.72: HA VAL 54 + QG2 ILE 52 OK 48 97 - 50 - ~10654=10, ~9240=9...(21) HA TYR 4 + QG2 ILE 52 OK 37 94 - 39 - 4.2/9143=10, 4.3/9143=10...(10) HA VAL 54 + QG2 ILE 8 OK 15 41 - 36 - 2483/2.1=5, ~9233=4...(16) HA SER 85 - QG2 ILE 52 lone 7 73 - 10 - 9867/3.1=2, ~9864=2, ~10955=1 HA TYR 4 - QG2 ILE 8 poor 6 39 - 15 - 8123/4.1=5, 6087/4.0=2, ~8137=2 HA SER 85 - QG2 ILE 8 lone 2 27 - 8 - 8339/4.1=2, 6087/4.0=2 Peak 9163 from cnoeabs.peaks (4.43, 0.78, 17.78 ppm; 4.54 A): 5 out of 16 assignments used, quality = 0.93: HA GLU 48 + QG2 ILE 52 OK 74 100 - 74 - 3.0/9039=10...(23) HA SER 9 + QG2 ILE 8 OK 39 45 - 86 - 2.9/6104=18, 3.0/8329=17...(24) HA MET 21 + QG2 ILE 52 OK 27 73 - 37 - 3.0/9167=8, 3.9/9167=6...(14) HA ILE 76 + QG2 ILE 8 OK 23 45 - 51 - 6108/4.1=8, 8347/4.0=5...(19) HA ILE 76 + QG2 ILE 52 OK 21 100 - 21 - 9139/4.0=4, ~10640=3...(6) HA VAL 32 - QG2 ILE 52 OK 20 73 - 27 - 9139/4.0=4, 3.0/2357=4...(12) HA SER 9 - QG2 ILE 52 OK 20 100 - 19 - 3.0/8329=4, 2.9/6104=3...(6) HA VAL 32 - QG2 ILE 8 OK 19 27 - 69 - ~10147=16, ~12055=11...(18) HA GLU 48 - QG2 ILE 8 OK 12 45 - 28 - 3.6/9047=4, 3.0/9039=3...(10) HA ALA 25 - QG2 ILE 52 lone 5 81 - 6 - ~9150=1 HB THR 84 - QG2 ILE 52 lone 3 84 - 4 - 9835/3.1=2 HA MET 21 - QG2 ILE 8 lone 2 27 - 9 - ~6324=2, 3.6/8567=1, 955/4.0=1 HA HIS 106 - QG2 ILE 52 lone 1 57 - 2 - HB THR 84 - QG2 ILE 8 lone 1 32 - 3 - HA ALA 25 - QG2 ILE 8 lone 1 31 - 3 - HA HIS 106 - QG2 ILE 8 lone 0 20 - 1 - Peak 9164 from cnoeabs.peaks (4.06, 0.78, 17.78 ppm; 4.83 A): 3 out of 12 assignments used, quality = 0.91: HB2 SER 49 + QG2 ILE 52 OK 82 100 - 83 - 9066=20, ~10646=16...(18) HA LYS 20 + QG2 ILE 52 OK 34 96 - 35 - 9171/3.1=6, 2.9/8527=4...(17) HA ARG 46 + QG2 ILE 52 OK 23 81 - 28 - ~9151=11, 9027/3.1=7...(7) HA LYS 20 - QG2 ILE 8 OK 17 40 - 42 - 2.9/8527=4, ~12204=4...(19) HA GLU 17 - QG2 ILE 52 OK 14 97 - 14 - 9171/3.1=3, 3.9/9043=1, ~10429=1 HB2 SER 49 - QG2 ILE 8 OK 13 45 - 28 - 9065/3.1=7, 9066=6...(7) HA GLU 16 - QG2 ILE 52 OK 12 77 - 16 - 3.0/10421=3, 4.1/10425=3 HA GLU 17 - QG2 ILE 8 poor 8 41 - 19 - 733/2.1=2, ~12204=2...(9) HA LYS 66 - QG2 ILE 52 poor 7 65 - 11 - 9171/3.1=3, 3.6/2357=2 HA LYS 66 - QG2 ILE 8 poor 7 24 - 30 - ~296=4, ~312=3...(14) HA ARG 46 - QG2 ILE 8 poor 4 31 - 13 - ~10614=2, 3.0/9028=2...(4) HA GLU 16 - QG2 ILE 8 poor 4 29 - 12 - 3.0/10421=2, 4.1/10425=1 Peak 9165 from cnoeabs.peaks (3.86, 0.78, 17.78 ppm; 4.55 A): 3 out of 18 assignments used, quality = 0.89: HB3 SER 49 + QG2 ILE 52 OK 77 98 - 79 - 1.8/9066=18, 9072=15...(19) HA LYS 40 + QG2 ILE 52 OK 32 100 - 32 - 3.6/8869=6, 4.8/8871=4...(7) HA LEU 38 + QG2 ILE 52 OK 31 90 - 35 - ~8856=4, 3.0/2355=3...(17) HA ALA 67 - QG2 ILE 52 OK 16 94 - 16 - 3.0/2357=2, ~2349=2...(8) HA LYS 12 - QG2 ILE 52 OK 15 96 - 15 - 6.3/10392=2, ~10200=2...(4) HA LYS 40 - QG2 ILE 8 OK 14 45 - 31 - 3.6/8869=7, 1778/4.1=6...(8) HA LYS 94 - QG2 ILE 52 OK 11 100 - 11 - ~9152=2, 3.0/7511=2 HA ALA 67 - QG2 ILE 8 OK 11 39 - 28 - 2979/3.1=5, 8306/3.0=4...(11) HB3 SER 49 - QG2 ILE 8 OK 10 42 - 24 - 1.8/9066=5, ~9065=4...(7) HA LYS 94 - QG2 ILE 8 poor 10 45 - 21 - 11008/3.2=9, 8306/3.0=3...(4) HA LEU 38 - QG2 ILE 8 poor 8 36 - 23 - ~8851=3, 8306/3.0=2...(11) HA ALA 71 - QG2 ILE 52 lone 6 70 - 8 - ~9152=3, 3.6/10847=1 HA2 GLY 101 - QG2 ILE 52 lone 5 100 - 5 - ~9151=1 HA2 GLY 100 - QG2 ILE 52 lone 4 100 - 4 - HA LYS 12 - QG2 ILE 8 lone 3 40 - 8 - ~6148=2, 8306/3.0=1 HA ALA 71 - QG2 ILE 8 lone 2 25 - 9 - 8306/3.0=1, 3.6/10847=1 HA2 GLY 100 - QG2 ILE 8 lone 1 45 - 3 - HA2 GLY 101 - QG2 ILE 8 lone 1 45 - 2 - Peak 9166 from cnoeabs.peaks (2.97, 0.78, 17.78 ppm; 4.04 A): 6 out of 20 assignments used, quality = 0.84: HB3 PHE 45 + QG2 ILE 52 OK 54 100 - 55 - 9174/3.1=11, 3.7/9144=9...(12) HB2 PHE 45 + QG2 ILE 52 OK 43 84 - 52 - 3.7/9144=9, 3.7/9144=9...(12) HE2 LYS 47 + QG2 ILE 52 OK 12 99 - 12 - 9174/3.1=2, ~9174=1, 3.0/2352=1 HE3 LYS 47 + QG2 ILE 52 OK 12 99 - 12 - 9174/3.1=2, ~9174=1, 3.0/2352=1 HE3 LYS 12 + QG2 ILE 52 OK 12 99 - 12 - 1.8/10392=4, 9174/3.1=1 HE2 LYS 73 + QG2 ILE 52 OK 11 61 - 18 - 9174/3.1=2, 3.0/2352=2...(8) HE3 LYS 24 - QG2 ILE 52 lone 6 96 - 6 - HE2 LYS 24 - QG2 ILE 52 lone 6 96 - 6 - HE2 LYS 13 - QG2 ILE 52 lone 6 92 - 7 - 9174/3.1=1 HE3 LYS 13 - QG2 ILE 52 lone 6 87 - 7 - 9174/3.1=1 HB3 PHE 45 - QG2 ILE 8 poor 5 45 - 11 - 12099/3.1=2, ~12098=2...(4) HB2 PHE 45 - QG2 ILE 8 poor 4 32 - 11 - 12098/3.1=2, ~12099=2...(4) HE3 LYS 12 - QG2 ILE 8 lone 1 43 - 3 - HE3 LYS 47 - QG2 ILE 8 lone 1 44 - 3 - HE2 LYS 47 - QG2 ILE 8 lone 1 44 - 3 - HE2 LYS 73 - QG2 ILE 8 lone 1 22 - 4 - 4.9/10851=1, 4.9/10851=1 HE2 LYS 13 - QG2 ILE 8 lone 1 37 - 2 - HE2 LYS 24 - QG2 ILE 8 lone 1 40 - 2 - HE3 LYS 24 - QG2 ILE 8 lone 1 40 - 2 - HE3 LYS 13 - QG2 ILE 8 lone 1 34 - 2 - Peak 9167 from cnoeabs.peaks (2.40, 0.78, 17.78 ppm; 5.31 A): 3 out of 6 assignments used, quality = 0.79: HB3 MET 21 + QG2 ILE 52 OK 42 99 - 42 - 1.8/10643=6, ~12042=4...(17) HG2 GLN 50 + QG2 ILE 52 OK 41 99 - 42 - ~9103=10, 1.8/9100=9...(8) HG3 MET 21 + QG2 ILE 52 OK 38 99 - 39 - 3.0/10643=6, ~12042=6...(15) HG2 GLN 50 - QG2 ILE 8 poor 7 43 - 15 - ~9103=3, 1.8/9100=3...(6) HB3 MET 21 - QG2 ILE 8 lone 3 44 - 7 - 976/4.0=2, 4.6/8567=1 HG3 MET 21 - QG2 ILE 8 lone 2 43 - 6 - 992/4.0=2 Peak 9168 from cnoeabs.peaks (2.96, 1.04, 27.19 ppm; 5.70 A): 5 out of 12 assignments used, quality = 0.91: HB3 PHE 45 + HG12 ILE 52 OK 63 92 - 69 - ~9170=22, 9174/2.1=15...(11) HB2 ASN 51 + HG12 ILE 52 OK 40 90 - 45 - 4.6/2358=26, 10636/3.2=9...(6) HE2 LYS 73 + HG12 ILE 52 OK 29 98 - 30 - 9169/1.8=3, ~9169=3...(12) HE3 LYS 73 + HG12 ILE 52 OK 26 90 - 30 - 9169/1.8=3, 3.0/2360=3...(12) HG2 MET 21 + HG12 ILE 52 OK 25 70 - 36 - ~9167=8, 9169/1.8=5...(10) HE3 LYS 12 - HG12 ILE 52 OK 14 96 - 15 - ~10392=4, 9166/3.2=2...(5) HE3 LYS 47 - HG12 ILE 52 OK 14 70 - 19 - 9174/2.1=3, ~9174=3...(7) HE2 LYS 47 - HG12 ILE 52 OK 14 70 - 19 - 9174/2.1=3, ~9174=3...(7) HE3 LYS 13 - HG12 ILE 52 OK 12 100 - 12 - ~9174=2, 9174/2.1=1...(6) HE2 LYS 13 - HG12 ILE 52 OK 12 100 - 12 - 9174/2.1=2, ~9174=1...(6) HE2 LYS 24 - HG12 ILE 52 OK 10 99 - 10 - 9174/2.1=1, ~9174=1...(4) HE3 LYS 24 - HG12 ILE 52 OK 10 99 - 10 - 9174/2.1=1, ~9174=1...(4) Peak 9169 from cnoeabs.peaks (2.95, 1.46, 27.19 ppm; 5.29 A): 7 out of 33 assignments used, quality = 0.92: HB2 ASN 51 + HG13 ILE 52 OK 47 100 - 47 - 2326/5.1=26...(8) HB3 PHE 45 + HG13 ILE 52 OK 37 61 - 61 - ~9170=20, ~8997=11...(11) HG2 MET 21 + HG13 ILE 52 OK 37 96 - 39 - ~9167=7, 12042/3.0=6...(13) HE3 LYS 73 + HG13 ILE 52 OK 26 100 - 26 - ~9168=3, 9168/1.8=3...(12) HE2 LYS 73 + HG13 ILE 52 OK 25 100 - 25 - 9168/1.8=3, ~9168=3...(11) HB2 ASN 51 + HG3 ARG 91 OK 24 48 - 50 - ~4051=8, ~4032=7...(17) HB2 ASN 51 + HG LEU 38 OK 12 91 - 13 - 4.6/2366=5, ~10631=2...(4) HE3 LYS 13 - HG13 ILE 52 poor 10 92 - 10 - 9168/1.8=1, ~9174=1...(4) HE2 LYS 13 - HG13 ILE 52 poor 9 87 - 10 - 9168/1.8=1, ~9174=1...(4) HE3 LYS 12 - HG13 ILE 52 poor 9 70 - 12 - ~10392=4, 9168/1.8=2, 1.8/463=1 HE2 LYS 24 - HG13 ILE 52 lone 7 81 - 9 - 9168/1.8=1, ~9174=1...(4) HE3 LYS 24 - HG13 ILE 52 lone 7 81 - 9 - 9168/1.8=1, ~9174=1...(4) HG2 MET 21 - HG LEU 38 lone 5 84 - 6 - 5.1/6326=1 HE3 LYS 73 - HG3 ARG 91 lone 4 48 - 9 - HE2 LYS 73 - HG3 ARG 91 lone 4 48 - 9 - HG2 MET 21 - HG3 ARG 91 lone 4 43 - 10 - 5.1/6326=2, 12042/2.8=2 HE3 LYS 13 - HG LEU 38 lone 4 79 - 5 - 7.3/1649=2 HE2 LYS 13 - HG LEU 38 lone 4 74 - 5 - 7.3/1649=2 HE3 LYS 12 - HG LEU 38 lone 3 58 - 6 - HE2 LYS 73 - HG LEU 38 lone 3 90 - 3 - HE3 LYS 73 - HG LEU 38 lone 3 91 - 3 - HE3 LYS 90 - HG13 ILE 52 lone 3 87 - 4 - HE3 LYS 90 - HG3 ARG 91 lone 3 37 - 8 - ~3997=1, ~3975=1 HE3 LYS 13 - HG3 ARG 91 lone 2 40 - 5 - HE3 LYS 90 - HG LEU 38 lone 2 74 - 2 - HE2 LYS 13 - HG3 ARG 91 lone 2 37 - 5 - HB3 PHE 45 - HG LEU 38 lone 2 50 - 3 - HE3 LYS 24 - HG LEU 38 lone 2 68 - 2 - HE2 LYS 24 - HG LEU 38 lone 2 68 - 2 - HE3 LYS 12 - HG3 ARG 91 lone 1 27 - 5 - HE2 LYS 24 - HG3 ARG 91 lone 1 33 - 4 - HE3 LYS 24 - HG3 ARG 91 lone 1 33 - 4 - HB3 PHE 45 - HG3 ARG 91 lone 1 24 - 3 - 4.5/8473=1 Peak 9170 from cnoeabs.peaks (4.54, 0.69, 14.38 ppm; 3.92 A): 2 out of 2 assignments used, quality = 0.61: HA PHE 45 + QD1 ILE 52 OK 47 77 - 61 - 3.6/9151=12, 4.2/9147=11...(14) HA LYS 33 + QD1 ILE 52 OK 27 100 - 27 - 10647/3.1=20...(3) Peak 9171 from cnoeabs.peaks (4.06, 0.69, 14.38 ppm; 4.48 A): 5 out of 6 assignments used, quality = 0.89: HB2 SER 49 + QD1 ILE 52 OK 71 99 - 72 - 3.0/9172=18, 9066/3.1=14...(18) HA ARG 46 + QD1 ILE 52 OK 32 90 - 36 - 3.0/9151=17, 9027=10...(7) HA LYS 20 + QD1 ILE 52 OK 26 90 - 29 - 9164/3.1=4, 3.7/2376=3...(11) HA LYS 66 + QD1 ILE 52 OK 12 77 - 15 - 9027=3, 3.6/2381=3, 10240/9460=1 HA GLU 17 + QD1 ILE 52 OK 11 92 - 12 - 3.9/9175=2, 9164/3.1=2 HA GLU 16 - QD1 ILE 52 poor 8 65 - 13 - 4.1/10424=2, 9164/3.1=1 Peak 9172 from cnoeabs.peaks (4.25, 0.69, 14.38 ppm; 5.57 A): 2 out of 2 assignments used, quality = 0.87: HA SER 49 + QD1 ILE 52 OK 84 94 - 90 - 10646/3.2=29...(20) HB THR 31 + QD1 ILE 52 OK 21 84 - 24 - 10646/3.2=7, 4.7/2381=4...(6) Peak 9173 from cnoeabs.peaks (4.44, 0.69, 14.38 ppm; 5.05 A): 5 out of 5 assignments used, quality = 0.83: HA GLU 48 + QD1 ILE 52 OK 57 73 - 78 - 3.0/9177=15, 3.0/9036=15...(19) HA LEU 2 + QD1 ILE 52 OK 33 61 - 55 - ~8051=18, ~8052=16...(6) HA ILE 76 + QD1 ILE 52 OK 21 73 - 29 - 3.2/10640=8, 3.8/9667=4...(7) HA SER 9 + QD1 ILE 52 OK 15 77 - 19 - ~8329=2, ~6104=2...(9) HB THR 84 + QD1 ILE 52 OK 11 99 - 11 - 9835=3, 4.0/9830=3, 4.7/9864=3 Peak 9174 from cnoeabs.peaks (2.96, 0.69, 14.38 ppm; 3.59 A): 4 out of 12 assignments used, quality = 0.78: HB3 PHE 45 + QD1 ILE 52 OK 57 100 - 57 - 3.0/9170=16, 3.7/9147=10...(12) HB2 PHE 45 + QD1 ILE 52 OK 35 65 - 54 - 3.0/9170=16, 3.7/9147=10...(12) HB2 ASN 51 + QD1 ILE 52 OK 11 61 - 18 - 4.6/2374=10, ~9116=2...(5) HE2 LYS 73 + QD1 ILE 52 OK 11 81 - 13 - 3.0/2376=2, 3.0/2376=2...(6) HE3 LYS 47 - QD1 ILE 52 poor 10 94 - 10 - 9166/3.1=1, 3.0/2376=1 HE2 LYS 47 - QD1 ILE 52 poor 10 94 - 10 - 9166/3.1=1, 3.0/2376=1 HE3 LYS 73 - QD1 ILE 52 poor 8 61 - 13 - 3.0/2376=2, 3.0/2376=2...(5) HE3 LYS 12 - QD1 ILE 52 lone 7 100 - 7 - ~10392=2, 9166/3.1=1 HE2 LYS 13 - QD1 ILE 52 lone 6 99 - 6 - HE3 LYS 13 - QD1 ILE 52 lone 5 97 - 5 - HE2 LYS 24 - QD1 ILE 52 lone 5 100 - 5 - HE3 LYS 24 - QD1 ILE 52 lone 5 100 - 5 - Peak 9175 from cnoeabs.peaks (2.43, 0.69, 14.38 ppm; 4.26 A): 5 out of 7 assignments used, quality = 0.87: HG3 GLU 48 + QD1 ILE 52 OK 67 100 - 67 - 9044=12, 3.0/9177=12...(17) HG3 GLN 50 + QD1 ILE 52 OK 30 100 - 30 - 2.9/9103=12, ~9167=5...(6) HG3 MET 1 + QD1 ILE 52 OK 22 87 - 25 - 8035/4.1=8, ~8028=5...(6) HG3 GLU 99 + QD1 ILE 52 OK 17 96 - 18 - 3.0/9177=3, 3.0/9177=3...(6) HG3 GLU 17 + QD1 ILE 52 OK 15 100 - 15 - 10431=3, 3.9/9171=2...(4) HB2 ASP 11 - QD1 ILE 52 lone 8 100 - 8 - 8364=2, 1.8/8367=1 HG2 GLN 72 - QD1 ILE 52 lone 6 98 - 6 - 2286/9103=1 Peak 9176 from cnoeabs.peaks (2.31, 0.69, 14.38 ppm; 3.89 A): 7 out of 7 assignments used, quality = 0.93: HB2 GLU 48 + QD1 ILE 52 OK 61 92 - 67 - 1.8/9177=13, 3.0/9175=10...(17) HB2 TYR 41 + QD1 ILE 52 OK 42 98 - 43 - 8874=8, 8873/3.1=6...(14) HD3 ARG 81 + QD1 ILE 52 OK 30 100 - 30 - 10645/3.2=6, 3.4/2378=5...(11) HG2 GLU 63 + QD1 ILE 52 OK 22 84 - 27 - 10424=4, 3.0/9462=4...(8) HB2 TYR 4 + QD1 ILE 52 OK 20 70 - 28 - 3.7/9148=7, 3.7/9148=7...(8) HG3 GLU 16 + QD1 ILE 52 OK 15 92 - 16 - 10424=3, 10425/3.1=2...(4) HG3 GLU 43 + QD1 ILE 52 OK 14 81 - 17 - 10607=3, 5.0/6690=3...(4) Peak 9177 from cnoeabs.peaks (2.04, 0.69, 14.38 ppm; 3.96 A): 8 out of 9 assignments used, quality = 0.90: HB3 GLU 48 + QD1 ILE 52 OK 67 96 - 70 - 9041=13, 1.8/9176=12...(16) HB2 MET 21 + QD1 ILE 52 OK 20 90 - 23 - ~9167=4, 10641/2.1=4...(11) HB2 GLN 50 + QD1 ILE 52 OK 18 73 - 25 - 9103=7, 2.9/9175=5...(7) HB3 GLU 99 + QD1 ILE 52 OK 17 100 - 17 - 3.0/9175=3, 10641/2.1=3...(6) HB2 GLU 99 + QD1 ILE 52 OK 17 99 - 17 - 3.0/9175=3, 9041=3...(7) HG12 ILE 93 + QD1 ILE 52 OK 16 100 - 16 - 10641/2.1=2, 10643/3.1=2...(4) HB3 GLU 98 + QD1 ILE 52 OK 12 99 - 12 - 10641/2.1=2, 9041=1...(5) HB2 GLU 98 + QD1 ILE 52 OK 12 99 - 12 - 10641/2.1=2, 9041=2...(5) HB3 LYS 94 - QD1 ILE 52 lone 4 70 - 6 - 4.0/9152=2 Peak 9186 from cnoeabs.peaks (0.25, 1.84, 36.45 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.82: QD2 LEU 3 + HB2 LYS 53 OK 82 96 - 85 - 8115=26, 9192/3.6=22...(23) Peak 9187 from cnoeabs.peaks (1.30, 1.69, 36.45 ppm; 5.19 A): 2 out of 4 assignments used, quality = 0.96: HG LEU 3 + HB3 LYS 53 OK 92 100 - 92 - ~9186=39, ~8115=24...(23) HG2 LYS 90 + HB3 LYS 53 OK 46 81 - 57 - 2.8/2406=9, ~3960=6...(21) HB3 LEU 42 - HB3 LYS 53 OK 18 100 - 18 - 9184/3.9=5, ~9199=2...(5) HG2 ARG 30 - HB3 LYS 53 OK 12 97 - 12 - 1346/4.4=3, 96/9203=1 Peak 9188 from cnoeabs.peaks (0.44, 1.69, 36.45 ppm; 5.30 A): 2 out of 2 assignments used, quality = 0.66: QD1 LEU 55 + HB3 LYS 53 OK 55 97 - 57 - 9190/1.8=24, 9194/3.6=20...(6) HG2 ARG 81 + HB3 LYS 53 OK 25 77 - 33 - 9190/1.8=11, 9194/3.6=10...(5) Peak 9189 from cnoeabs.peaks (0.23, 1.69, 36.45 ppm; 3.95 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9190 from cnoeabs.peaks (0.44, 1.84, 36.45 ppm; 5.77 A): 2 out of 2 assignments used, quality = 0.74: QD1 LEU 55 + HB2 LYS 53 OK 63 97 - 66 - 9188/1.8=31, 9194/3.6=24...(7) HG2 ARG 81 + HB2 LYS 53 OK 30 77 - 39 - 9188/1.8=15, 9194/3.6=11...(6) Peak 9191 from cnoeabs.peaks (0.25, 1.46, 25.00 ppm; 4.10 A): 2 out of 3 assignments used, quality = 0.97: QD2 LEU 3 + HG2 LYS 53 OK 87 96 - 91 - 9186/3.0=33, 9192/3.0=29...(29) QD2 LEU 3 + HG3 LYS 53 OK 77 84 - 91 - 9186/3.0=33, 9192/3.0=29...(29) QD2 LEU 3 - HG2 LYS 20 OK 14 76 - 18 - 8114/1.8=2, 8011/3.0=1...(7) Peak 9192 from cnoeabs.peaks (0.24, 1.46, 29.44 ppm; 4.06 A): 1 out of 1 assignment used, quality = 0.69: QD2 LEU 3 + HD2 LYS 53 OK 69 81 - 86 - 9186/3.6=27, 9198/3.0=15...(29) Peak 9193 from cnoeabs.peaks (0.23, 1.55, 29.44 ppm; 4.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9194 from cnoeabs.peaks (0.44, 1.55, 29.44 ppm; 5.47 A): 2 out of 2 assignments used, quality = 0.73: QD1 LEU 55 + HD3 LYS 53 OK 62 97 - 64 - 9195/1.8=24, 9188/3.6=22...(10) HG2 ARG 81 + HD3 LYS 53 OK 29 77 - 37 - 9195/1.8=12, 9188/3.6=10...(6) Peak 9195 from cnoeabs.peaks (0.44, 1.46, 29.44 ppm; 5.97 A): 2 out of 2 assignments used, quality = 0.79: QD1 LEU 55 + HD2 LYS 53 OK 68 97 - 70 - 9194/1.8=31, 9188/3.6=26...(8) HG2 ARG 81 + HD2 LYS 53 OK 33 77 - 43 - 9194/1.8=15, 9188/3.6=12...(7) Peak 9197 from cnoeabs.peaks (0.43, 2.83, 41.80 ppm; 6.50 A): 4 out of 4 assignments used, quality = 0.94: QD1 LEU 55 + HE2 LYS 53 OK 62 99 - 62 - 9194/3.0=24, 9195/3.0=22...(5) QD1 LEU 55 + HE3 LYS 53 OK 60 97 - 62 - 9194/3.0=24, 9195/3.0=22...(5) HG2 ARG 81 + HE2 LYS 53 OK 36 99 - 36 - 9194/3.0=11, 9195/3.0=11...(4) HG2 ARG 81 + HE3 LYS 53 OK 35 97 - 36 - 9194/3.0=11, 9195/3.0=11...(4) Peak 9198 from cnoeabs.peaks (0.25, 2.83, 41.80 ppm; 3.93 A): 2 out of 2 assignments used, quality = 0.94: QD2 LEU 3 + HE2 LYS 53 OK 77 96 - 80 - 9192/3.0=27, 9186/5.0=18...(21) QD2 LEU 3 + HE3 LYS 53 OK 74 92 - 80 - 9192/3.0=27, 9186/5.0=18...(21) Peak 9199 from cnoeabs.peaks (0.78, 5.04, 55.43 ppm; 4.22 A): 7 out of 9 assignments used, quality = 0.91: QG2 ILE 52 + HA LYS 53 OK 75 100 - 75 - 2357/3.0=14, ~6868=12...(26) QD1 LEU 6 + HA LYS 53 OK 27 90 - 30 - 232/3.0=6, ~9183=6...(8) QG2 ILE 7 + HA LYS 53 OK 19 70 - 27 - ~9178=4, ~233=3...(10) QD1 ILE 76 + HA LYS 53 OK 15 61 - 25 - 3.2/9636=19, 10888/3.6=2...(4) QG2 ILE 8 + HA LYS 53 OK 12 99 - 12 - 6870/3.0=3, 302/9636=2...(6) QD2 LEU 42 + HA LYS 53 OK 12 77 - 16 - 6870/3.0=3, ~9184=3...(5) QD1 LEU 27 + HA LYS 53 OK 10 84 - 12 - 6870/3.0=3, 1222/3.9=1 QD2 LEU 57 - HA LYS 53 lone 5 81 - 6 - QD1 ILE 93 - HA LYS 53 lone 3 87 - 4 - 6870/3.0=1 Peak 9200 from cnoeabs.peaks (0.65, 5.04, 55.43 ppm; 4.11 A): 3 out of 3 assignments used, quality = 0.86: QG2 VAL 54 + HA LYS 53 OK 74 97 - 76 - 9231=42, 4.0/6886=29...(10) QD1 LEU 29 + HA LYS 53 OK 29 98 - 30 - 6897/3.6=8, 8671/3.0=4...(12) QD2 LEU 29 + HA LYS 53 OK 25 99 - 25 - 12050/3.6=7, 1295/3.0=4...(9) Peak 9202 from cnoeabs.peaks (5.13, 1.84, 36.45 ppm; 4.62 A): 4 out of 4 assignments used, quality = 0.93: HA LEU 3 + HB2 LYS 53 OK 75 99 - 76 - 3.9/9186=33, 9203/1.8=17...(16) HA TYR 4 + HB2 LYS 53 OK 49 92 - 54 - ~9209=17, 8136=12...(11) HA ILE 7 + HB2 LYS 53 OK 35 100 - 35 - 9203/1.8=8, 9178/3.9=8...(10) HA SER 85 + HB2 LYS 53 OK 16 100 - 16 - 3.0/9861=5, 9203/1.8=4...(4) Peak 9203 from cnoeabs.peaks (5.14, 1.69, 36.45 ppm; 4.59 A): 4 out of 4 assignments used, quality = 0.93: HA LEU 3 + HB3 LYS 53 OK 75 96 - 78 - 3.6/9209=20, 9202/1.8=16...(19) HA TYR 4 + HB3 LYS 53 OK 49 97 - 51 - 3.0/9209=22, 8136/1.8=12...(12) HA ILE 7 + HB3 LYS 53 OK 36 99 - 36 - 9202/1.8=8, 9178/3.9=8...(10) HA SER 85 + HB3 LYS 53 OK 18 100 - 17 - ~9861=4, 9202/1.8=4...(4) Peak 9204 from cnoeabs.peaks (6.95, 1.69, 36.45 ppm; 4.52 A): 2 out of 2 assignments used, quality = 0.88: HE1 PHE 96 + HB3 LYS 53 OK 65 99 - 65 - 2.5/9205=31, 9206/1.8=21...(14) HE2 PHE 96 + HB3 LYS 53 OK 65 98 - 66 - 2.5/9205=31, 9206/1.8=21...(14) Peak 9205 from cnoeabs.peaks (7.08, 1.69, 36.45 ppm; 4.48 A): 1 out of 2 assignments used, quality = 0.57: HZ PHE 96 + HB3 LYS 53 OK 57 87 - 66 - 2.5/9204=17, 2.5/9204=17...(11) HZ3 TRP 92 - HB3 LYS 53 lone 9 90 - 10 - 9219/4.4=5 Peak 9206 from cnoeabs.peaks (6.95, 1.84, 36.45 ppm; 4.21 A): 2 out of 2 assignments used, quality = 0.79: HE1 PHE 96 + HB2 LYS 53 OK 54 99 - 54 - ~9205=19, 9204/1.8=17...(12) HE2 PHE 96 + HB2 LYS 53 OK 54 98 - 55 - ~9205=19, 9204/1.8=17...(12) Peak 9207 from cnoeabs.peaks (7.09, 1.84, 36.45 ppm; 4.70 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9209 from cnoeabs.peaks (8.34, 1.69, 36.45 ppm; 5.55 A): 0 out of 2 assignments used, low quality = 0.42: H TYR 4 - HB3 LYS 53 OK 42 57 - 74 - 3.6/9203=16, 4.4/2411=12...(19) H GLU 95 - HB3 LYS 53 lone 5 57 - 9 - 11100/4.4=3, 11098/3.9=2 Peak 9210 from cnoeabs.peaks (6.97, 1.46, 25.00 ppm; 5.02 A): 4 out of 12 assignments used, quality = 0.98: HE2 PHE 96 + HG2 LYS 53 OK 67 90 - 75 - ~9205=21, 9214/3.0=14...(15) HE1 PHE 96 + HG2 LYS 53 OK 63 84 - 75 - ~9205=21, 9214/3.0=13...(15) HE2 PHE 96 + HG3 LYS 53 OK 58 78 - 75 - ~9205=21, 9214/3.0=14...(15) HE1 PHE 96 + HG3 LYS 53 OK 53 72 - 75 - ~9205=21, 9214/3.0=13...(15) HD21 ASN 51 - HG2 LYS 53 OK 21 97 - 22 - 9214/3.0=5, 9216/3.9=4...(7) HD21 ASN 51 - HG2 LYS 20 OK 21 78 - 27 - ~903=6, ~869=5, ~881=5...(7) HD21 ASN 51 - HG3 LYS 53 OK 19 86 - 22 - 9214/3.0=5, 9216/3.9=4...(6) HD21 ASN 10 - HG2 LYS 53 lone 6 84 - 8 - 9214/3.0=2, 9216/3.9=2 HD21 ASN 10 - HG3 LYS 53 lone 6 72 - 8 - 9214/3.0=2, 9216/3.9=2 HE2 PHE 96 - HG2 LYS 20 lone 3 69 - 4 - HD21 ASN 10 - HG2 LYS 20 lone 3 64 - 4 - HE1 PHE 96 - HG2 LYS 20 lone 3 64 - 4 - Peak 9211 from cnoeabs.peaks (7.03, 1.46, 25.00 ppm; 4.99 A): 4 out of 6 assignments used, quality = 0.97: HD2 PHE 96 + HG2 LYS 53 OK 62 100 - 62 - 9215/3.0=15, ~9206=12...(10) HD1 PHE 96 + HG2 LYS 53 OK 61 100 - 61 - 9215/3.0=15, ~9206=12...(10) HD2 PHE 96 + HG3 LYS 53 OK 56 91 - 61 - 9215/3.0=15, ~9206=12...(10) HD1 PHE 96 + HG3 LYS 53 OK 55 91 - 61 - 9215/3.0=15, ~9206=12...(10) HD1 PHE 96 - HG2 LYS 20 lone 3 82 - 3 - HD2 PHE 96 - HG2 LYS 20 lone 3 83 - 3 - Peak 9212 from cnoeabs.peaks (6.96, 1.46, 29.44 ppm; 5.34 A): 2 out of 4 assignments used, quality = 0.95: HE2 PHE 96 + HD2 LYS 53 OK 78 99 - 79 - 2.5/9213=18, 9214/1.8=17...(15) HE1 PHE 96 + HD2 LYS 53 OK 76 97 - 79 - 2.5/9213=19, 9214/1.8=16...(15) HD21 ASN 51 - HD2 LYS 53 OK 20 84 - 24 - 9214/1.8=6, 8038/12114=4...(8) HD21 ASN 10 - HD2 LYS 53 lone 5 61 - 8 - 9214/1.8=2, 9218/2447=1 Peak 9213 from cnoeabs.peaks (7.04, 1.46, 29.44 ppm; 5.35 A): 2 out of 2 assignments used, quality = 0.83: HD1 PHE 96 + HD2 LYS 53 OK 59 94 - 63 - 9215/1.8=20, 2.5/9212=16...(11) HD2 PHE 96 + HD2 LYS 53 OK 58 92 - 63 - 9215/1.8=20, 2.5/9212=16...(11) Peak 9214 from cnoeabs.peaks (6.97, 1.55, 29.44 ppm; 5.14 A): 3 out of 4 assignments used, quality = 0.90: HE2 PHE 96 + HD3 LYS 53 OK 66 90 - 74 - 2.5/9215=18, 9212/1.8=16...(18) HE1 PHE 96 + HD3 LYS 53 OK 61 84 - 73 - 2.5/9215=18, 9212/1.8=16...(18) HD21 ASN 51 + HD3 LYS 53 OK 23 97 - 23 - 9216/3.0=5, 9216/3.0=5...(7) HD21 ASN 10 - HD3 LYS 53 lone 7 84 - 9 - 9216/3.0=2, 9216/3.0=2 Peak 9215 from cnoeabs.peaks (7.04, 1.55, 29.44 ppm; 5.31 A): 2 out of 2 assignments used, quality = 0.89: HD2 PHE 96 + HD3 LYS 53 OK 66 99 - 67 - 9213/1.8=19, 2.5/9214=16...(16) HD1 PHE 96 + HD3 LYS 53 OK 66 100 - 66 - 9213/1.8=19, 2.5/9214=15...(16) Peak 9216 from cnoeabs.peaks (6.99, 2.83, 41.80 ppm; 4.62 A): 0 out of 6 assignments used, low quality = 0.10: HE ARG 91 - HE2 LYS 53 OK 10 87 - 12 - 10988/3.0=2, 10988/3.9=2...(7) HE ARG 91 - HE3 LYS 53 poor 10 83 - 12 - 10988/3.0=2, 10988/3.9=2...(7) HD21 ASN 51 - HE2 LYS 53 lone 9 97 - 9 - 9214/3.0=3, 8038/8029=2 HD21 ASN 51 - HE3 LYS 53 lone 8 94 - 9 - 9214/3.0=3, 8038/8029=2 HD21 ASN 10 - HE2 LYS 53 lone 3 100 - 3 - HD21 ASN 10 - HE3 LYS 53 lone 3 98 - 3 - Peak 9217 from cnoeabs.peaks (7.07, 2.83, 41.80 ppm; 5.08 A): 2 out of 4 assignments used, quality = 0.74: HZ PHE 96 + HE2 LYS 53 OK 49 99 - 50 - 9205/5.0=21...(7) HZ PHE 96 + HE3 LYS 53 OK 48 96 - 50 - 9205/5.0=21...(7) HZ3 TRP 92 - HE2 LYS 53 lone 5 99 - 5 - 9205/5.0=3 HZ3 TRP 92 - HE3 LYS 53 lone 5 97 - 5 - 9205/5.0=3 Peak 9220 from cnoeabs.peaks (6.96, 5.16, 60.16 ppm; 4.58 A): 3 out of 4 assignments used, quality = 0.76: HE2 PHE 96 + HA VAL 54 OK 47 99 - 48 - 2.5/9221=27, ~9219=14...(6) HE1 PHE 96 + HA VAL 54 OK 46 98 - 48 - 2.5/9221=27, ~9219=14...(6) HD21 ASN 10 + HA VAL 54 OK 15 57 - 26 - 9291/3.6=15, 9218/3.0=5...(5) HD21 ASN 51 - HA VAL 54 lone 6 81 - 7 - 9218/3.0=3, 9291/3.6=3 Peak 9221 from cnoeabs.peaks (7.06, 5.16, 60.16 ppm; 4.51 A): 2 out of 2 assignments used, quality = 0.68: HZ PHE 96 + HA VAL 54 OK 60 100 - 60 - 9292/3.6=21, 9219/3.0=19...(7) HZ3 TRP 92 + HA VAL 54 OK 19 100 - 19 - 9292/3.6=10, 9219/3.0=6 Peak 9222 from cnoeabs.peaks (6.67, 0.65, 22.12 ppm; 3.89 A): 2 out of 2 assignments used, quality = 0.87: HD1 PHE 45 + QG2 VAL 54 OK 64 99 - 65 - 4.3/9228=15, 2.5/9223=15...(14) HD2 PHE 45 + QG2 VAL 54 OK 63 99 - 64 - 4.3/9228=15, 2.5/9223=14...(14) Peak 9223 from cnoeabs.peaks (6.51, 0.65, 22.12 ppm; 4.24 A): 2 out of 2 assignments used, quality = 0.95: HE1 PHE 45 + QG2 VAL 54 OK 77 100 - 77 - 2.5/9228=24, 2.5/9222=19...(15) HE2 PHE 45 + QG2 VAL 54 OK 76 100 - 77 - 2.5/9228=24, 2.5/9222=19...(15) Peak 9224 from cnoeabs.peaks (6.45, 0.65, 22.12 ppm; 3.84 A): 4 out of 4 assignments used, quality = 0.91: HD2 TYR 4 + QG2 VAL 54 OK 50 92 - 54 - 3.7/9239=16, 3.7/9238=15...(13) HD1 TYR 4 + QG2 VAL 54 OK 49 92 - 54 - 3.7/9239=16, 3.7/9238=15...(14) HE1 TYR 4 + QG2 VAL 54 OK 41 100 - 41 - 5.4/9238=10, 5.4/9239=10...(13) HE2 TYR 4 + QG2 VAL 54 OK 40 99 - 41 - 5.4/9238=10, 5.4/9239=10...(13) Peak 9226 from cnoeabs.peaks (6.49, 0.76, 21.39 ppm; 3.98 A): 2 out of 2 assignments used, quality = 0.64: HE1 PHE 45 + QG1 VAL 54 OK 42 70 - 61 - 2.5/9229=23, ~9228=15...(14) HE2 PHE 45 + QG1 VAL 54 OK 37 61 - 60 - 2.5/9229=23, ~9228=15...(14) Peak 9227 from cnoeabs.peaks (8.36, 0.65, 22.12 ppm; 4.54 A): 2 out of 3 assignments used, quality = 0.94: H TYR 4 + QG2 VAL 54 OK 92 99 - 92 - 8134=27, 10203/3.2=22...(18) H ILE 93 + QG2 VAL 54 OK 32 97 - 32 - 9293/4.1=7, 10203/3.2=7...(11) H GLU 95 - QG2 VAL 54 OK 19 99 - 19 - 10203/3.2=4, 11100/4.0=4...(5) Peak 9228 from cnoeabs.peaks (6.14, 0.65, 22.12 ppm; 5.27 A): 1 out of 1 assignment used, quality = 0.87: HZ PHE 45 + QG2 VAL 54 OK 87 100 - 88 - 9229/2.1=40, 2.5/9223=23...(13) Peak 9229 from cnoeabs.peaks (6.15, 0.76, 21.39 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.77: HZ PHE 45 + QG1 VAL 54 OK 77 94 - 82 - 9228/2.1=34, 2.5/9226=24...(16) Peak 9230 from cnoeabs.peaks (5.06, 0.76, 21.39 ppm; 4.50 A): 2 out of 2 assignments used, quality = 0.50: HA LYS 53 + QG1 VAL 54 OK 42 77 - 54 - 6886/4.0=26, 9231/2.1=18...(5) HA SER 59 + QG1 VAL 54 OK 14 99 - 14 - 9232/2.1=3, 10721/9802=3...(6) Peak 9231 from cnoeabs.peaks (5.04, 0.65, 22.12 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.71: HA LYS 53 + QG2 VAL 54 OK 71 100 - 71 - 6886/4.0=31, 9200=27...(10) Peak 9232 from cnoeabs.peaks (5.05, 1.89, 35.51 ppm; 5.54 A): 2 out of 2 assignments used, quality = 0.85: HA LYS 53 + HB VAL 54 OK 82 100 - 82 - 9231/2.1=47, 6886/3.9=44...(8) HA SER 59 + HB VAL 54 OK 16 73 - 22 - 9230/2.1=9...(4) Peak 9233 from cnoeabs.peaks (0.90, 1.89, 35.51 ppm; 4.60 A): 4 out of 5 assignments used, quality = 0.80: HG13 ILE 7 + HB VAL 54 OK 42 100 - 42 - ~10210=17, 1.8/9234=8...(5) QG2 ILE 76 + HB VAL 54 OK 38 84 - 45 - ~10885=12, 11070/2.1=9...(11) HG13 ILE 8 + HB VAL 54 OK 34 94 - 36 - 2.1/12126=6, 11070/2.1=6...(12) QD1 LEU 2 + HB VAL 54 OK 16 81 - 19 - 11070/2.1=4, ~10651=3...(6) QG1 VAL 32 - HB VAL 54 poor 10 90 - 11 - 8942/2.1=3, 4.0/2487=3 Peak 9234 from cnoeabs.peaks (1.42, 1.89, 35.51 ppm; 5.51 A): 6 out of 6 assignments used, quality = 0.94: HG12 ILE 7 + HB VAL 54 OK 58 99 - 58 - 10210/2.1=21...(10) QB ALA 71 + HB VAL 54 OK 47 92 - 52 - 10210/2.1=19, ~10658=13...(8) HG LEU 29 + HB VAL 54 OK 45 77 - 58 - 2.1/2490=13, 2.1/2490=10...(14) HG13 ILE 76 + HB VAL 54 OK 37 73 - 50 - ~10885=22, ~11070=12...(8) QB ALA 22 + HB VAL 54 OK 17 77 - 22 - ~8568=4, ~8567=3, 8582=2...(7) HG2 LYS 13 + HB VAL 54 OK 12 92 - 13 - 10210/2.1=4, ~10852=2, ~10651=1 Peak 9235 from cnoeabs.peaks (4.54, 0.65, 22.12 ppm; 5.35 A): 2 out of 2 assignments used, quality = 0.79: HA LYS 33 + QG2 VAL 54 OK 55 100 - 55 - 9244/2.1=40, ~10663=11...(5) HA PHE 45 + QG2 VAL 54 OK 54 73 - 73 - 3.0/9237=22, 4.2/9222=19...(9) Peak 9236 from cnoeabs.peaks (3.70, 0.65, 22.12 ppm; 5.49 A): 3 out of 5 assignments used, quality = 0.80: HA LEU 42 + QG2 VAL 54 OK 72 97 - 74 - ~10653=24, 10657/2.1=18...(18) HA LEU 14 + QG2 VAL 54 OK 18 77 - 24 - 8428/9238=5, 3.0/10207=5...(5) HA GLU 37 + QG2 VAL 54 OK 11 90 - 13 - ~11105=4, 10657/2.1=3 HA3 GLY 100 - QG2 VAL 54 lone 6 65 - 10 - ~10658=3, 10657/2.1=2 HB THR 80 - QG2 VAL 54 lone 4 65 - 6 - 10916/8481=2 Peak 9237 from cnoeabs.peaks (2.99, 0.65, 22.12 ppm; 4.62 A): 3 out of 5 assignments used, quality = 0.83: HB2 PHE 45 + QG2 VAL 54 OK 70 99 - 70 - 3.7/9222=17, 3.7/9222=17...(11) HB2 SER 9 + QG2 VAL 54 OK 27 99 - 27 - 4.6/2498=5, 10656/2.1=5...(7) HB3 ASP 11 + QG2 VAL 54 OK 22 97 - 23 - 1.8/9238=6, 10656/2.1=5...(5) HE3 LYS 47 - QG2 VAL 54 lone 6 84 - 7 - 10656/2.1=1, ~10656=1 HE2 LYS 47 - QG2 VAL 54 lone 6 84 - 7 - 10656/2.1=1, ~10656=1 Peak 9238 from cnoeabs.peaks (2.44, 0.65, 22.12 ppm; 4.24 A): 2 out of 6 assignments used, quality = 0.79: HB3 TYR 4 + QG2 VAL 54 OK 75 84 - 90 - 1.8/9239=28, ~9246=19...(22) HB2 ASP 11 + QG2 VAL 54 OK 15 84 - 18 - 1.8/9237=6, ~10656=3...(6) HG3 GLU 48 - QG2 VAL 54 poor 10 73 - 13 - 3.0/9239=5, 10661/4.1=2...(4) HG3 GLU 17 - QG2 VAL 54 lone 3 73 - 4 - HG3 GLU 99 - QG2 VAL 54 lone 2 97 - 2 - HG3 GLN 50 - QG2 VAL 54 lone 2 81 - 2 - Peak 9239 from cnoeabs.peaks (2.29, 0.65, 22.12 ppm; 3.81 A): 3 out of 5 assignments used, quality = 0.89: HB2 TYR 4 + QG2 VAL 54 OK 85 100 - 85 - 1.8/9238=22, 8145=18...(21) HB2 GLU 48 + QG2 VAL 54 OK 18 99 - 18 - 10204/3.2=3, 9039/2.1=2...(6) HG2 GLU 63 + QG2 VAL 54 OK 10 100 - 10 - 10425/2.1=2, 10204/3.2=2...(4) HG3 GLU 16 - QG2 VAL 54 lone 8 99 - 8 - 10425/2.1=1, 10204/3.2=1...(4) HD3 ARG 81 - QG2 VAL 54 lone 8 81 - 10 - 3.4/9240=2, ~10654=2 Peak 9240 from cnoeabs.peaks (1.05, 0.65, 22.12 ppm; 4.18 A): 3 out of 4 assignments used, quality = 0.67: HG12 ILE 52 + QG2 VAL 54 OK 51 99 - 52 - 10654/2.1=20...(14) HG2 LYS 82 + QG2 VAL 54 OK 20 70 - 28 - 10654/2.1=11, 1.8/9763=7...(6) HB3 LEU 55 + QG2 VAL 54 OK 15 65 - 24 - 3.9/6904=17, ~9259=4 HB3 ARG 81 - QG2 VAL 54 poor 9 87 - 10 - 10654/2.1=4, 3.4/9239=2 Peak 9244 from cnoeabs.peaks (4.54, 0.76, 21.39 ppm; 5.08 A): 0 out of 1 assignment used, low quality = 0.38: HA LYS 33 - QG1 VAL 54 OK 38 96 - 39 - 9235/2.1=17...(6) Peak 9245 from cnoeabs.peaks (2.46, 0.76, 21.39 ppm; 4.66 A): 1 out of 2 assignments used, quality = 0.91: HB3 TYR 4 + QG1 VAL 54 OK 91 99 - 92 - 1.8/9246=33, ~9239=22...(21) HG3 GLU 98 - QG1 VAL 54 lone 3 92 - 3 - Peak 9246 from cnoeabs.peaks (2.28, 0.76, 21.39 ppm; 4.26 A): 1 out of 7 assignments used, quality = 0.66: HB2 TYR 4 + QG1 VAL 54 OK 66 77 - 85 - 1.8/9245=32, ~9238=18...(19) HG2 GLU 37 - QG1 VAL 54 lone 6 65 - 9 - 3.9/10657=4...(3) HG2 GLU 63 - QG1 VAL 54 lone 5 61 - 8 - ~11104=2, 10660/4.1=2 HG2 GLU 95 - QG1 VAL 54 lone 4 99 - 5 - 4.8/10039=2 HG2 GLU 23 - QG1 VAL 54 lone 2 98 - 2 - HG2 GLU 62 - QG1 VAL 54 lone 2 84 - 2 - HG3 GLU 62 - QG1 VAL 54 lone 2 84 - 2 - Peak 9247 from cnoeabs.peaks (0.72, -0.63, 42.07 ppm; 4.77 A): 4 out of 11 assignments used, quality = 1.00: QG1 VAL 5 + HB2 LEU 55 OK 98 100 - 98 - 2.1/8198=42, 8195/3.1=38...(23) HG13 ILE 56 + HB2 LEU 55 OK 67 92 - 73 - ~9304=17, 9316/3.0=15...(16) HG3 ARG 81 + HB2 LEU 55 OK 57 77 - 73 - 1.8/2518=18, ~2526=13...(15) QD1 ILE 56 + HB2 LEU 55 OK 46 70 - 67 - ~9304=16, ~9316=13...(15) HG13 ILE 93 - HB2 LEU 55 OK 41 61 - 67 - ~10021=24, ~10014=17...(10) QD2 LEU 27 - HB2 LEU 55 OK 41 99 - 41 - 1213/3.0=7, 4.0/2514=6...(16) QG2 VAL 78 - HB2 LEU 55 OK 37 100 - 37 - 8196=7, 8180/3.0=6...(12) QG1 VAL 58 - HB2 LEU 55 OK 23 99 - 23 - 10223/3.0=7, 9386/3.0=4...(7) QD2 LEU 14 - HB2 LEU 55 OK 14 73 - 18 - 6925/4.5=3, ~10402=3...(8) QD1 LEU 64 - HB2 LEU 55 poor 9 70 - 13 - ~10761=2, ~10760=2...(5) QD1 ILE 8 - HB2 LEU 55 lone 4 77 - 6 - 2593/4.5=2 Peak 9248 from cnoeabs.peaks (0.71, 1.03, 42.07 ppm; 4.53 A): 3 out of 9 assignments used, quality = 0.97: QG1 VAL 5 + HB3 LEU 55 OK 76 81 - 94 - ~8198=29, 3.2/9249=29...(23) HG13 ILE 56 + HB3 LEU 55 OK 68 100 - 68 - 9316/3.0=16, ~9304=15...(16) QD1 ILE 56 + HB3 LEU 55 OK 63 99 - 64 - 5.0/6917=14, ~9304=14...(14) QD1 ILE 52 - HB3 LEU 55 OK 25 65 - 38 - ~2516=5, 3.2/2346=4...(14) QG2 VAL 78 - HB3 LEU 55 OK 23 94 - 24 - ~10288=4, 8196/1.8=4...(9) QD2 LEU 27 - HB3 LEU 55 OK 22 70 - 32 - 4.0/2522=5, ~1221=4...(13) QG1 VAL 58 - HB3 LEU 55 OK 18 96 - 19 - 10223/3.0=6, ~10221=3...(6) QD2 LEU 14 - HB3 LEU 55 OK 18 99 - 18 - 10403/3.0=4, 6926/4.5=4...(5) QD1 ILE 8 - HB3 LEU 55 lone 8 100 - 8 - 2593/4.5=4 Peak 9249 from cnoeabs.peaks (5.10, 1.03, 42.07 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.98: HA VAL 5 + HB3 LEU 55 OK 98 99 - 98 - 8189=39, 9295/3.9=35...(28) Peak 9250 from cnoeabs.peaks (5.11, -0.63, 42.07 ppm; 5.24 A): 1 out of 1 assignment used, quality = 0.98: HA VAL 5 + HB2 LEU 55 OK 98 100 - 98 - 9249/1.8=43, 3.2/8198=40...(23) Peak 9251 from cnoeabs.peaks (1.53, 0.44, 22.30 ppm; 3.41 A): 5 out of 10 assignments used, quality = 0.85: HG2 ARG 79 + QD1 LEU 55 OK 41 100 - 42 - 9695=9, 1.8/9695=7...(9) HG3 ARG 79 + QD1 LEU 55 OK 41 100 - 41 - 9695=9, 1.8/9695=7...(9) HG12 ILE 56 + QD1 LEU 55 OK 41 100 - 41 - 4.9/6919=10, 9317/4.0=6...(12) HG LEU 2 + QD1 LEU 55 OK 16 70 - 24 - 3.7/8050=5, 4.7/9279=5...(7) HG LEU 6 + QD1 LEU 55 OK 15 97 - 16 - 5.3/11110=6, 3.0/9252=3...(5) HB2 LEU 14 - QD1 LEU 55 poor 10 92 - 10 - ~10402=1, ~10399=1, ~10403=1 HG3 ARG 30 - QD1 LEU 55 lone 9 100 - 9 - 9695=1, 3.0/9254=1 HB ILE 7 - QD1 LEU 55 lone 8 92 - 9 - ~9269=1, 3.0/9259=1 HB3 LEU 103 - QD1 LEU 55 lone 7 94 - 8 - 4.3/10045=2, 3.1/9272=2 HG2 LYS 33 - QD1 LEU 55 lone 3 73 - 4 - 4.9/11110=2 Peak 9252 from cnoeabs.peaks (1.66, 0.44, 22.30 ppm; 3.67 A): 6 out of 15 assignments used, quality = 0.73: HB3 ARG 79 + QD1 LEU 55 OK 35 99 - 35 - 4.1/9692=9, 3.0/9251=7...(7) HB ILE 52 + QD1 LEU 55 OK 24 90 - 27 - 3.0/9258=6, 3.0/2540=5...(9) HD2 LYS 68 + QD1 LEU 55 OK 16 97 - 16 - ~10256=3, ~12321=3...(7) HD3 LYS 68 + QD1 LEU 55 OK 16 96 - 16 - ~10256=3, ~12321=3...(7) HB3 LEU 6 + QD1 LEU 55 OK 14 90 - 16 - 4.0/11110=9, 3.0/9251=2 HG2 LYS 68 + QD1 LEU 55 OK 11 70 - 16 - ~12321=4, 10256/2.1=3...(6) HD2 LYS 39 - QD1 LEU 55 lone 3 99 - 3 - HB ILE 76 - QD1 LEU 55 lone 2 77 - 3 - HD3 LYS 39 - QD1 LEU 55 lone 2 65 - 2 - HB2 LYS 40 - QD1 LEU 55 lone 1 84 - 2 - HD3 LYS 73 - QD1 LEU 55 lone 1 98 - 1 - HD2 LYS 73 - QD1 LEU 55 lone 1 96 - 1 - HG3 LYS 20 - QD1 LEU 55 lone 1 77 - 1 - HD3 LYS 20 - QD1 LEU 55 lone 1 77 - 1 - HD2 LYS 20 - QD1 LEU 55 lone 0 65 - 1 - Peak 9253 from cnoeabs.peaks (2.31, 0.44, 22.30 ppm; 5.34 A): 3 out of 7 assignments used, quality = 0.94: HD3 ARG 81 + QD1 LEU 55 OK 89 100 - 89 - 6.2/9280=22, 3632=18...(17) HB2 TYR 4 + QD1 LEU 55 OK 33 73 - 44 - 3.0/9259=16, 4.6/9281=13...(5) HG2 GLU 63 + QD1 LEU 55 OK 17 87 - 19 - 4.8/9278=12, 10660/4.8=1 HB2 GLU 48 - QD1 LEU 55 poor 10 94 - 10 - 10660/4.8=2 HG3 GLU 16 - QD1 LEU 55 lone 8 94 - 9 - 718/10104=1, 2786/9278=1 HB2 TYR 41 - QD1 LEU 55 lone 6 97 - 7 - HG3 GLU 43 - QD1 LEU 55 lone 4 77 - 5 - Peak 9254 from cnoeabs.peaks (3.08, 0.44, 22.30 ppm; 3.64 A): 4 out of 7 assignments used, quality = 0.88: HB2 PHE 96 + QD1 LEU 55 OK 56 73 - 76 - ~9263=21, ~10050=20...(12) HB2 TRP 92 + QD1 LEU 55 OK 42 65 - 64 - 1.8/9255=21, ~9992=17...(11) HD3 ARG 79 + QD1 LEU 55 OK 33 94 - 35 - 9265/2.1=7, 3.0/9251=6...(7) HD2 ARG 79 + QD1 LEU 55 OK 31 90 - 35 - 9265/2.1=7, 3.0/9251=6...(7) HD3 ARG 30 - QD1 LEU 55 lone 8 100 - 8 - 9265/2.1=2, 3.0/9251=1 HB3 ASN 26 - QD1 LEU 55 lone 4 73 - 5 - 3.0/9257=3, 9265/2.1=1 HB3 HIS 105 - QD1 LEU 55 lone 1 65 - 1 - Peak 9255 from cnoeabs.peaks (3.20, 0.44, 22.30 ppm; 4.40 A): 2 out of 4 assignments used, quality = 0.86: HB3 TRP 92 + QD1 LEU 55 OK 84 100 - 84 - 9992/2.1=36, ~9987=25...(12) HD3 ARG 46 + QD1 LEU 55 OK 14 100 - 14 - 9358/10211=4, 9264/2.1=2...(6) HB2 ASP 77 - QD1 LEU 55 lone 4 87 - 5 - 10892/9190=2 HB2 HIS 106 - QD1 LEU 55 lone 1 87 - 2 - Peak 9256 from cnoeabs.peaks (3.49, 0.44, 22.30 ppm; 4.56 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9257 from cnoeabs.peaks (4.36, 0.44, 22.30 ppm; 5.43 A): 3 out of 3 assignments used, quality = 0.93: HA ARG 81 + QD1 LEU 55 OK 87 100 - 87 - 3.0/9280=42, 3578=19...(15) HA ASP 61 + QD1 LEU 55 OK 28 98 - 28 - 3.6/9278=14, 7314/9280=3...(9) HA ASN 26 + QD1 LEU 55 OK 25 100 - 25 - 4.9/2538=6, 7314/9280=4...(12) Peak 9258 from cnoeabs.peaks (5.32, 0.44, 22.30 ppm; 4.46 A): 2 out of 2 assignments used, quality = 0.65: HA THR 80 + QD1 LEU 55 OK 55 84 - 66 - 3.6/9280=28, 9713/4.0=10...(16) HA ILE 52 + QD1 LEU 55 OK 23 61 - 37 - 3.0/9252=7, 3.8/2540=5...(13) Peak 9259 from cnoeabs.peaks (5.15, 0.44, 22.30 ppm; 5.56 A): 2 out of 4 assignments used, quality = 0.68: HA TYR 4 + QD1 LEU 55 OK 51 97 - 53 - 3.6/9281=16, 8140/2.1=12...(11) HA VAL 54 + QD1 LEU 55 OK 35 94 - 37 - 3.6/2537=30, ~9240=4...(5) HA ILE 7 - QD1 LEU 55 poor 10 61 - 16 - 9332/9349=3, ~9269=2...(5) HA SER 85 - QD1 LEU 55 lone 6 81 - 8 - ~9863=3, 9834/2544=1 Peak 9260 from cnoeabs.peaks (4.50, 0.51, 26.14 ppm; 5.14 A): 1 out of 1 assignment used, quality = 0.80: HA PHE 96 + QD2 LEU 55 OK 80 84 - 95 - 3.0/9263=44...(16) Peak 9261 from cnoeabs.peaks (5.10, 0.51, 26.14 ppm; 5.03 A): 1 out of 1 assignment used, quality = 0.96: HA VAL 5 + QD2 LEU 55 OK 96 99 - 96 - 9249/3.1=35, 9295/4.8=30...(24) Peak 9262 from cnoeabs.peaks (3.53, 0.51, 26.14 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.65: HA ILE 93 + QD2 LEU 55 OK 65 92 - 71 - 3.2/10014=17...(15) Peak 9263 from cnoeabs.peaks (3.46, 0.51, 26.14 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.69: HB3 PHE 96 + QD2 LEU 55 OK 69 84 - 83 - 3.0/9260=19, 10050=18...(17) Peak 9264 from cnoeabs.peaks (3.18, 0.51, 26.14 ppm; 4.26 A): 1 out of 5 assignments used, quality = 0.47: HB3 TRP 92 + QD2 LEU 55 OK 47 70 - 68 - 9992=21, 1.8/9987=19...(11) HD3 ARG 46 - QD2 LEU 55 poor 9 77 - 11 - 9358/10212=2, 9255/2.1=2...(5) HD2 ARG 19 - QD2 LEU 55 lone 3 100 - 3 - ~9276=1 HD3 ARG 19 - QD2 LEU 55 lone 3 100 - 3 - ~9276=1 HB2 HIS 106 - QD2 LEU 55 lone 1 98 - 1 - Peak 9265 from cnoeabs.peaks (3.08, 0.51, 26.14 ppm; 3.87 A): 3 out of 6 assignments used, quality = 0.72: HB2 PHE 96 + QD2 LEU 55 OK 51 61 - 83 - 1.8/9263=37, 3.0/9260=19...(14) HD3 ARG 79 + QD2 LEU 55 OK 25 98 - 25 - 9254/2.1=7, ~9254=4...(7) HD2 ARG 79 + QD2 LEU 55 OK 24 96 - 25 - 9254/2.1=7, ~9254=5...(7) HD3 ARG 30 - QD2 LEU 55 lone 6 99 - 6 - 9254/2.1=2 HB3 ASN 26 - QD2 LEU 55 lone 4 84 - 5 - ~9257=2 HB3 HIS 105 - QD2 LEU 55 lone 1 77 - 1 - Peak 9266 from cnoeabs.peaks (2.02, 0.51, 26.14 ppm; 4.48 A): 3 out of 8 assignments used, quality = 0.80: HG12 ILE 93 + QD2 LEU 55 OK 63 73 - 86 - 4.0/9262=32...(12) HB3 LYS 94 + QD2 LEU 55 OK 31 100 - 31 - 4.0/11011=18, 4.6/9282=7...(4) HB2 GLN 50 + QD2 LEU 55 OK 23 100 - 23 - 4.5/9285=19 HB2 GLU 35 - QD2 LEU 55 lone 4 81 - 5 - 4.0/2552=2 HB3 GLU 99 - QD2 LEU 55 lone 3 73 - 4 - HB3 GLU 17 - QD2 LEU 55 lone 2 77 - 3 - HB3 MET 1 - QD2 LEU 55 lone 2 61 - 4 - ~8017=2, ~8021=1 HB2 GLU 62 - QD2 LEU 55 lone 2 98 - 2 - Peak 9267 from cnoeabs.peaks (1.82, 0.51, 26.14 ppm; 5.14 A): 2 out of 9 assignments used, quality = 0.99: HB3 LEU 57 + QD2 LEU 55 OK 96 100 - 96 - 3.1/10212=46...(17) HB ILE 93 + QD2 LEU 55 OK 62 65 - 94 - 3.0/9262=45...(12) HB2 LYS 68 - QD2 LEU 55 OK 24 70 - 35 - ~10256=7, ~8510=6...(9) HG2 ARG 46 - QD2 LEU 55 OK 21 99 - 21 - 3.0/9264=6, ~9255=4...(7) HB2 GLU 88 - QD2 LEU 55 OK 15 87 - 17 - 10666/2.1=3, 9920/6920=2...(6) HB2 LYS 90 - QD2 LEU 55 OK 15 94 - 16 - 2644/10212=2...(9) HB2 GLU 104 - QD2 LEU 55 OK 14 87 - 16 - 4.0/10044=6, 10666/2.1=2 HB2 LEU 42 - QD2 LEU 55 poor 8 81 - 10 - 7507/11011=1...(3) HB3 LYS 90 - QD2 LEU 55 lone 7 84 - 9 - 2644/10212=2, ~10666=2...(4) Peak 9268 from cnoeabs.peaks (1.50, 0.51, 26.14 ppm; 4.37 A): 1 out of 11 assignments used, quality = 0.94: HG LEU 57 + QD2 LEU 55 OK 94 100 - 94 - 2.1/10212=46...(17) HG LEU 2 - QD2 LEU 55 OK 22 84 - 26 - 2.1/9269=6, ~8051=5...(8) HB3 LEU 64 - QD2 LEU 55 OK 15 87 - 17 - ~9476=3, ~10760=3...(5) HG3 LYS 66 - QD2 LEU 55 lone 5 94 - 5 - 2645/10212=2, 2637/9269=1 HG2 LYS 66 - QD2 LEU 55 lone 5 90 - 5 - 2645/10212=2, 2637/9269=1 HG3 LYS 13 - QD2 LEU 55 lone 3 99 - 3 - HG3 LYS 33 - QD2 LEU 55 lone 3 100 - 3 - HG2 LYS 73 - QD2 LEU 55 lone 2 92 - 3 - HB2 ARG 91 - QD2 LEU 55 lone 2 73 - 3 - HG2 LYS 47 - QD2 LEU 55 lone 2 90 - 2 - HG3 LYS 24 - QD2 LEU 55 lone 2 98 - 2 - Peak 9269 from cnoeabs.peaks (0.80, 0.51, 26.14 ppm; 3.16 A): 2 out of 9 assignments used, quality = 0.81: QD2 LEU 57 + QD2 LEU 55 OK 77 97 - 80 - 2.1/10212=30...(19) QD2 LEU 2 + QD2 LEU 55 OK 16 98 - 16 - 12038/9285=3, 2.1/9268=3...(7) QG2 ILE 7 - QD2 LEU 55 lone 7 99 - 7 - 2646/10212=2, 2630/9268=1 QD2 LEU 70 - QD2 LEU 55 lone 5 99 - 5 - 3173/11011=1 QD1 ILE 76 - QD2 LEU 55 lone 4 100 - 4 - QD1 LEU 70 - QD2 LEU 55 lone 3 84 - 3 - QG2 ILE 15 - QD2 LEU 55 lone 3 97 - 3 - QG2 ILE 8 - QD2 LEU 55 lone 2 73 - 3 - QD2 LEU 38 - QD2 LEU 55 lone 1 57 - 1 - Peak 9270 from cnoeabs.peaks (0.72, 0.51, 26.14 ppm; 3.19 A): 4 out of 11 assignments used, quality = 0.93: QG1 VAL 5 + QD2 LEU 55 OK 76 100 - 76 - 8195=19, ~8197=12...(19) HG13 ILE 93 + QD2 LEU 55 OK 36 61 - 58 - 4.0/9262=16...(11) HG3 ARG 81 + QD2 LEU 55 OK 36 77 - 46 - 1.8/2550=12, 3614/2.1=7...(12) HG13 ILE 56 + QD2 LEU 55 OK 32 92 - 34 - 4.9/6920=9, 9316/4.0=5...(11) QD1 ILE 56 - QD2 LEU 55 OK 20 70 - 29 - 5.0/6920=9, ~9251=3...(11) QG2 VAL 78 - QD2 LEU 55 OK 17 100 - 17 - 8195=2, ~10288=2...(6) QD2 LEU 27 - QD2 LEU 55 OK 15 99 - 15 - 1213/4.0=3, 4.0/2546=2...(7) QG1 VAL 58 - QD2 LEU 55 OK 12 99 - 12 - 10223/2.1=5, ~10221=2 QD2 LEU 14 - QD2 LEU 55 lone 6 73 - 8 - ~10402=2, 10403/2.1=2, ~10399=1 QD1 LEU 64 - QD2 LEU 55 lone 6 70 - 8 - 3.1/9268=2, 10762/2.1=1...(5) QD1 ILE 8 - QD2 LEU 55 lone 2 77 - 2 - Peak 9271 from cnoeabs.peaks (0.74, 0.44, 22.30 ppm; 3.50 A): 4 out of 10 assignments used, quality = 0.98: QG1 VAL 5 + QD1 LEU 55 OK 75 92 - 82 - 8195/2.1=26, 2.1/8197=16...(19) HG3 ARG 81 + QD1 LEU 55 OK 71 100 - 71 - 3614=16, 4.9/9280=12...(18) HG13 ILE 93 + QD1 LEU 55 OK 55 97 - 57 - 10019/2.1=18, ~10021=17...(9) QG2 ILE 93 + QD1 LEU 55 OK 48 81 - 60 - 10014/2.1=14, ~9262=13...(12) QG1 VAL 78 - QD1 LEU 55 OK 21 94 - 22 - 4.3/9692=8, ~10288=3...(6) QD1 LEU 64 - QD1 LEU 55 OK 19 99 - 20 - 10762/2.1=3, 7318/9280=2...(7) QD2 LEU 27 - QD1 LEU 55 OK 19 97 - 20 - 4.0/2538=3, 1213/4.0=3...(7) QG2 VAL 78 - QD1 LEU 55 OK 18 77 - 24 - 4.3/9692=8, 8195/2.1=3...(7) QG1 VAL 58 - QD1 LEU 55 OK 16 73 - 22 - 4.0/9279=7, 10223/2.1=3...(5) HG13 ILE 15 - QD1 LEU 55 lone 3 65 - 4 - Peak 9272 from cnoeabs.peaks (0.83, 0.44, 22.30 ppm; 3.15 A): 2 out of 8 assignments used, quality = 0.89: QD1 LEU 57 + QD1 LEU 55 OK 88 100 - 88 - 10211=34, 10212/2.1=31...(23) QD2 LEU 2 + QD1 LEU 55 OK 14 65 - 22 - 4.7/9279=4, 4.0/8050=4...(8) QG2 VAL 32 - QD1 LEU 55 lone 9 99 - 9 - 4.1/11110=2, 10667/6919=1 QD2 LEU 103 - QD1 LEU 55 lone 7 100 - 7 - 4.9/10045=2 QD1 LEU 70 - QD1 LEU 55 lone 4 90 - 5 - QD2 LEU 38 - QD1 LEU 55 lone 4 99 - 4 - QG2 ILE 15 - QD1 LEU 55 lone 2 70 - 3 - QD2 LEU 70 - QD1 LEU 55 lone 2 61 - 3 - Peak 9273 from cnoeabs.peaks (0.81, 1.03, 42.07 ppm; 5.51 A): 3 out of 11 assignments used, quality = 0.95: QD1 LEU 57 + HB3 LEU 55 OK 81 84 - 97 - 10212/3.1=35, ~10217=31...(18) QD2 LEU 57 + HB3 LEU 55 OK 58 61 - 95 - ~10212=36, ~10214=28...(17) QD2 LEU 2 + HB3 LEU 55 OK 42 98 - 43 - 3.1/8051=14, 3.1/8052=11...(8) QG2 VAL 32 - HB3 LEU 55 OK 11 70 - 17 - 10667/4.5=8, 4.1/9288=4 QD1 LEU 70 - HB3 LEU 55 lone 9 100 - 9 - 10667/4.5=2, ~9269=1, 9272/3.1=1 QD2 LEU 103 - HB3 LEU 55 lone 8 87 - 9 - 10667/4.5=3, 9272/3.1=2, ~9251=1 QG2 ILE 7 - HB3 LEU 55 poor 8 73 - 11 - 9269/3.1=2, ~9259=2...(4) QD2 LEU 70 - HB3 LEU 55 lone 8 97 - 8 - 9269/3.1=1, ~9272=1 QD2 LEU 38 - HB3 LEU 55 lone 6 96 - 7 - 10667/4.5=3, 9272/3.1=1 QG2 ILE 15 - HB3 LEU 55 lone 6 99 - 6 - QD1 ILE 76 - HB3 LEU 55 lone 4 81 - 5 - 9269/3.1=1 Peak 9274 from cnoeabs.peaks (6.93, 0.44, 22.30 ppm; 5.07 A): 0 out of 1 assignment used, low quality = 0.34: HE21 GLN 50 - QD1 LEU 55 OK 34 90 - 38 - 9285/2.1=36, 9094/9272=1 Peak 9275 from cnoeabs.peaks (7.03, 0.44, 22.30 ppm; 4.47 A): 2 out of 2 assignments used, quality = 0.95: HD2 PHE 96 + QD1 LEU 55 OK 78 99 - 79 - 9284/2.1=20...(17) HD1 PHE 96 + QD1 LEU 55 OK 77 98 - 78 - 9284/2.1=20...(17) Peak 9276 from cnoeabs.peaks (7.44, 0.44, 22.30 ppm; 5.22 A): 2 out of 4 assignments used, quality = 0.59: HE3 TRP 92 + QD1 LEU 55 OK 54 84 - 65 - 4.2/9255=27, 14644=12...(10) H ALA 89 + QD1 LEU 55 OK 11 61 - 18 - 9341/10211=5...(5) HE22 GLN 72 - QD1 LEU 55 lone 8 100 - 8 - 9341/10211=1, 4112/9255=1 HE ARG 19 - QD1 LEU 55 lone 5 96 - 5 - ~9264=2 Peak 9277 from cnoeabs.peaks (8.20, 0.44, 22.30 ppm; 5.47 A): 2 out of 6 assignments used, quality = 0.94: H PHE 96 + QD1 LEU 55 OK 82 92 - 89 - 10044/2.1=33...(10) H SER 97 + QD1 LEU 55 OK 68 81 - 84 - 10065/2.1=31...(9) H GLU 104 - QD1 LEU 55 OK 23 81 - 29 - 10044/2.1=8, 10045=7...(7) H LYS 68 - QD1 LEU 55 OK 22 73 - 30 - ~8510=6, ~10260=6...(6) H GLU 43 - QD1 LEU 55 lone 5 94 - 6 - H ASP 36 - QD1 LEU 55 lone 5 70 - 6 - 4.6/2544=2 Peak 9278 from cnoeabs.peaks (8.39, 0.44, 22.30 ppm; 5.78 A): 0 out of 2 assignments used, low quality = 0.00: H GLU 63 - QD1 LEU 55 lone 10 99 - 10 - 4.8/9253=3, 9456/9257=2 H GLU 62 - QD1 LEU 55 poor 9 73 - 12 - 3.6/9257=7, 7310/9280=1 Peak 9279 from cnoeabs.peaks (8.52, 0.44, 22.30 ppm; 4.58 A): 0 out of 3 assignments used, low quality = 0.36: H VAL 58 - QD1 LEU 55 OK 22 57 - 38 - 3.6/9351=12, 4.6/9349=11...(8) H LEU 2 - QD1 LEU 55 OK 18 84 - 22 - 3.0/8050=11, 4.7/9272=3...(4) H ASN 51 - QD1 LEU 55 lone 5 87 - 6 - Peak 9280 from cnoeabs.peaks (8.76, 0.44, 22.30 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.88: H ARG 81 + QD1 LEU 55 OK 88 100 - 88 - 7317=21, 3.6/9258=20...(23) Peak 9281 from cnoeabs.peaks (8.92, 0.44, 22.30 ppm; 5.72 A): 2 out of 2 assignments used, quality = 0.99: H VAL 5 + QD1 LEU 55 OK 93 99 - 94 - ~9261=30, ~9249=25...(19) H LEU 57 + QD1 LEU 55 OK 86 97 - 89 - 4.6/10211=30...(15) Peak 9282 from cnoeabs.peaks (8.35, 0.51, 26.14 ppm; 4.76 A): 3 out of 3 assignments used, quality = 0.97: H ILE 93 + QD2 LEU 55 OK 87 92 - 94 - 3.0/9262=42, 10005=36...(15) H GLU 95 + QD2 LEU 55 OK 57 97 - 59 - 4.5/10044=20...(13) H TYR 4 + QD2 LEU 55 OK 42 97 - 43 - 8121/4.8=19, ~9259=9...(10) Peak 9283 from cnoeabs.peaks (8.21, 0.51, 26.14 ppm; 4.42 A): 2 out of 3 assignments used, quality = 0.98: H PHE 96 + QD2 LEU 55 OK 90 100 - 90 - 10044=37, 4.1/9263=29...(17) H SER 97 + QD2 LEU 55 OK 80 100 - 80 - 4.2/9263=28, 10065=23...(16) H GLU 104 - QD2 LEU 55 OK 29 100 - 29 - 10044=9, 10045/2.1=6...(7) Peak 9284 from cnoeabs.peaks (7.03, 0.51, 26.14 ppm; 4.03 A): 2 out of 2 assignments used, quality = 0.94: HD2 PHE 96 + QD2 LEU 55 OK 76 100 - 76 - 3.7/9263=26, 4.2/9260=17...(16) HD1 PHE 96 + QD2 LEU 55 OK 76 100 - 76 - 3.7/9263=26, 4.3/9260=17...(16) Peak 9285 from cnoeabs.peaks (6.93, 0.51, 26.14 ppm; 5.35 A): 0 out of 1 assignment used, low quality = 0.43: HE21 GLN 50 - QD2 LEU 55 OK 43 90 - 48 - 9274/2.1=42, 4.5/9266=6...(4) Peak 9286 from cnoeabs.peaks (6.96, 1.03, 42.07 ppm; 5.70 A): 2 out of 3 assignments used, quality = 0.95: HE2 PHE 96 + HB3 LEU 55 OK 79 100 - 79 - 2.5/9287=21, 9290/1.8=19...(9) HE1 PHE 96 + HB3 LEU 55 OK 78 100 - 79 - 2.5/9287=20, 9290/1.8=18...(9) HD21 ASN 51 - HB3 LEU 55 lone 6 65 - 9 - 9291/3.9=2, 10669/3.0=2...(4) Peak 9287 from cnoeabs.peaks (7.03, 1.03, 42.07 ppm; 5.35 A): 2 out of 2 assignments used, quality = 0.95: HD2 PHE 96 + HB3 LEU 55 OK 77 100 - 77 - 9284/3.1=22, 9289/1.8=20...(10) HD1 PHE 96 + HB3 LEU 55 OK 77 100 - 77 - 9284/3.1=22, 9289/1.8=19...(10) Peak 9288 from cnoeabs.peaks (9.32, 1.03, 42.07 ppm; 6.23 A): 2 out of 2 assignments used, quality = 0.88: H LEU 6 + HB3 LEU 55 OK 85 94 - 90 - 3.6/9249=44, 8199/3.9=33...(10) H LYS 33 + HB3 LEU 55 OK 17 57 - 30 - 11108/4.5=11...(5) Peak 9289 from cnoeabs.peaks (7.03, -0.63, 42.07 ppm; 5.35 A): 2 out of 2 assignments used, quality = 0.96: HD2 PHE 96 + HB2 LEU 55 OK 81 99 - 82 - 9284/3.1=21, 9275/3.1=21...(12) HD1 PHE 96 + HB2 LEU 55 OK 80 98 - 82 - 9284/3.1=21, 9275/3.1=20...(12) Peak 9290 from cnoeabs.peaks (6.96, -0.63, 42.07 ppm; 5.99 A): 2 out of 3 assignments used, quality = 0.98: HE2 PHE 96 + HB2 LEU 55 OK 86 100 - 86 - 2.5/9289=22, 9286/1.8=21...(11) HE1 PHE 96 + HB2 LEU 55 OK 85 100 - 85 - 2.5/9289=22, 9286/1.8=21...(11) HD21 ASN 51 - HB2 LEU 55 lone 6 65 - 9 - 9291/3.9=3, 10669/3.0=2 Peak 9302 from cnoeabs.peaks (5.33, 1.76, 38.18 ppm; 4.02 A): 2 out of 2 assignments used, quality = 0.88: HA THR 80 + HB ILE 56 OK 82 100 - 82 - 10293=20, 3.6/9303=20...(19) HA ILE 52 + HB ILE 56 OK 30 94 - 32 - 9155/2.1=10, 9299/3.8=8...(9) Peak 9303 from cnoeabs.peaks (8.77, 1.76, 38.18 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.67: H ARG 81 + HB ILE 56 OK 67 81 - 83 - 9310/2.1=41, 3.6/9302=27...(12) Peak 9304 from cnoeabs.peaks (4.67, 1.76, 38.18 ppm; 5.21 A): 1 out of 1 assignment used, quality = 0.75: HA LEU 55 + HB ILE 56 OK 75 100 - 75 - 6915/3.8=39, 9316/2.9=22...(11) Peak 9305 from cnoeabs.peaks (4.70, 0.60, 16.63 ppm; 5.35 A): 2 out of 2 assignments used, quality = 0.84: HA LYS 82 + QG2 ILE 56 OK 69 100 - 69 - 3640/2.1=10, 3.0/2571=10...(23) HA ARG 79 + QG2 ILE 56 OK 49 81 - 61 - 3.0/9309=18, 3.0/10672=9...(23) Peak 9306 from cnoeabs.peaks (5.12, 0.60, 16.63 ppm; 5.19 A): 3 out of 4 assignments used, quality = 0.92: HA VAL 5 + QG2 ILE 56 OK 75 87 - 86 - 3.6/9311=24, 9301/4.0=20...(30) HA ILE 7 + QG2 ILE 56 OK 60 84 - 72 - 9332/4.1=22, ~8251=13...(26) HA LEU 3 + QG2 ILE 56 OK 22 92 - 23 - 9332/4.1=6, 3.0/9326=3...(9) HA SER 85 - QG2 ILE 56 poor 10 65 - 15 - 9332/4.1=3, 8220/8235=2...(5) Peak 9307 from cnoeabs.peaks (5.34, 0.60, 16.63 ppm; 4.44 A): 2 out of 2 assignments used, quality = 0.88: HA THR 80 + QG2 ILE 56 OK 80 90 - 89 - 3.2/9734=38, 3.6/9310=27...(19) HA ILE 52 + QG2 ILE 56 OK 42 99 - 42 - 9155=16, 9299/4.0=8...(9) Peak 9308 from cnoeabs.peaks (5.45, 0.60, 16.63 ppm; 5.31 A): 1 out of 1 assignment used, quality = 0.73: HA LEU 6 + QG2 ILE 56 OK 73 77 - 95 - 3.0/8236=43, 3.0/8235=42...(23) Peak 9309 from cnoeabs.peaks (8.51, 0.60, 16.63 ppm; 4.78 A): 3 out of 3 assignments used, quality = 0.72: H ARG 79 + QG2 ILE 56 OK 47 81 - 58 - 9297/4.0=18, 3.0/9305=12...(16) H THR 31 + QG2 ILE 56 OK 30 70 - 43 - 3.0/2570=12, ~2562=8...(9) H LEU 2 + QG2 ILE 56 OK 24 99 - 24 - 9297/4.0=7, 8044/9155=4...(7) Peak 9310 from cnoeabs.peaks (8.77, 0.60, 16.63 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.68: H ARG 81 + QG2 ILE 56 OK 68 81 - 85 - 9303/2.1=34, 4.2/9734=33...(15) Peak 9311 from cnoeabs.peaks (9.31, 0.60, 16.63 ppm; 4.69 A): 2 out of 2 assignments used, quality = 0.97: H LEU 6 + QG2 ILE 56 OK 95 100 - 95 - 4.0/8236=30, 4.0/8235=29...(18) H LYS 33 + QG2 ILE 56 OK 41 90 - 46 - 4.1/10674=12, 9313/3.2=8...(11) Peak 9312 from cnoeabs.peaks (8.47, 0.71, 27.60 ppm; 6.09 A): 3 out of 6 assignments used, quality = 0.98: H ALA 67 + HG13 ILE 56 OK 88 94 - 94 - ~9528=35, 9521/3.2=25...(22) H ILE 7 + HG13 ILE 56 OK 61 84 - 73 - 4.6/9313=21...(17) H VAL 32 + HG13 ILE 56 OK 53 94 - 57 - 3.6/2586=14, 4.6/9313=14...(10) H LYS 53 - HG13 ILE 56 OK 16 99 - 16 - 6873/2.1=3, 9183/10676=2...(4) H VAL 54 - HG13 ILE 56 poor 8 61 - 12 - 3.9/12126=3, 11101/3475=1 H LEU 29 - HG13 ILE 56 poor 7 57 - 12 - 6069/9313=2...(5) Peak 9313 from cnoeabs.peaks (9.30, 0.71, 27.60 ppm; 5.22 A): 2 out of 2 assignments used, quality = 0.86: H LEU 6 + HG13 ILE 56 OK 74 87 - 85 - 8216/3.9=20, 8232/3.2=20...(20) H LYS 33 + HG13 ILE 56 OK 48 100 - 48 - 9314/2.1=10, 9311/3.2=8...(12) Peak 9314 from cnoeabs.peaks (9.30, 0.71, 13.82 ppm; 5.44 A): 4 out of 4 assignments used, quality = 0.91: H LEU 6 + QD1 ILE 56 OK 70 87 - 80 - 9313/2.1=25, ~9308=22...(15) H LYS 33 + QD1 ILE 56 OK 46 100 - 47 - 9313/2.1=16, 9311/3.0=9...(9) H LYS 33 + QD1 ILE 8 OK 27 96 - 28 - 4.4/10518=11...(5) H LEU 6 + QD1 ILE 8 OK 22 80 - 28 - 8233/2.1=5, 9311/2596=3...(10) Peak 9315 from cnoeabs.peaks (5.30, 0.71, 27.60 ppm; 5.70 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9316 from cnoeabs.peaks (4.67, 0.71, 27.60 ppm; 6.04 A): 2 out of 2 assignments used, quality = 0.90: HA LEU 55 + HG13 ILE 56 OK 87 100 - 87 - 9304/2.9=43, 6915/4.9=39...(15) HA LEU 27 + HG13 ILE 56 OK 22 57 - 38 - 9317/1.8=10, 6915/4.9=5...(13) Peak 9317 from cnoeabs.peaks (4.66, 1.53, 27.60 ppm; 5.93 A): 2 out of 2 assignments used, quality = 0.83: HA LEU 55 + HG12 ILE 56 OK 74 92 - 81 - 6915/4.9=35, 9304/2.9=28...(11) HA LEU 27 + HG12 ILE 56 OK 35 96 - 36 - 9316/1.8=6, 6915/4.9=4...(12) Peak 9321 from cnoeabs.peaks (3.67, 1.76, 38.18 ppm; 4.75 A): 2 out of 4 assignments used, quality = 0.95: HB THR 80 + HB ILE 56 OK 87 94 - 93 - ~9734=34, 3.0/9302=28...(20) HA LEU 14 + HB ILE 56 OK 59 87 - 69 - 9323/2.1=9, ~10673=8...(24) HA LYS 90 - HB ILE 56 OK 12 100 - 12 - 9323/2.1=3, 9319/3.8=2...(5) HA GLU 88 - HB ILE 56 OK 11 90 - 12 - 9319/3.8=4, 9323/2.1=3...(4) Peak 9322 from cnoeabs.peaks (3.84, 0.60, 16.63 ppm; 5.25 A): 1 out of 5 assignments used, quality = 0.62: HA ALA 67 + QG2 ILE 56 OK 62 81 - 77 - 2.1/9528=28, ~10783=18...(13) HA ALA 71 - QG2 ILE 56 lone 7 98 - 7 - ~10835=2 HA ALA 22 - QG2 ILE 56 lone 4 84 - 5 - ~10456=2 HA LYS 12 - QG2 ILE 56 lone 3 77 - 3 - HB3 SER 49 - QG2 ILE 56 lone 1 70 - 2 - Peak 9323 from cnoeabs.peaks (3.66, 0.60, 16.63 ppm; 5.50 A): 4 out of 4 assignments used, quality = 0.92: HB THR 80 + QG2 ILE 56 OK 74 77 - 96 - 2.1/9734=50, 4.4/9310=33...(21) HA LEU 14 + QG2 ILE 56 OK 55 65 - 84 - 4.3/11079=34...(25) HA GLU 88 + QG2 ILE 56 OK 20 99 - 20 - 9918/9734=8, 9319/4.0=4...(5) HA LYS 90 + QG2 ILE 56 OK 15 99 - 16 - 9321/2.1=3, 9319/4.0=3...(6) Peak 9324 from cnoeabs.peaks (2.57, 0.60, 16.63 ppm; 5.49 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9325 from cnoeabs.peaks (1.33, 0.60, 16.63 ppm; 3.22 A): 5 out of 10 assignments used, quality = 0.87: QB ALA 67 + QG2 ILE 56 OK 61 98 - 63 - 9528=27, 10783/2.1=11...(16) HB2 LYS 82 + QG2 ILE 56 OK 33 87 - 39 - 1.8/2571=7, 3.0/9305=6...(15) HG LEU 14 + QG2 ILE 56 OK 32 61 - 52 - 11079=7, 2.1/2575=6...(28) HB3 LEU 2 + QG2 ILE 56 OK 15 100 - 15 - 4.0/9309=3, 10681/3.0=1...(4) HB3 LEU 27 + QG2 ILE 56 OK 11 84 - 13 - ~9317=2, 10680/3.2=1...(4) QB ALA 89 - QG2 ILE 56 lone 9 96 - 9 - 9931/9327=2 HG3 LYS 68 - QG2 ILE 56 poor 7 65 - 10 - 1.8/10672=2, 9732/9734=2...(4) HG2 LYS 39 - QG2 ILE 56 lone 6 81 - 7 - HG2 LYS 94 - QG2 ILE 56 lone 3 96 - 3 - QB ALA 25 - QG2 ILE 56 lone 3 96 - 3 - Peak 9326 from cnoeabs.peaks (1.16, 0.60, 16.63 ppm; 4.18 A): 2 out of 5 assignments used, quality = 0.60: HB2 LEU 6 + QG2 ILE 56 OK 55 65 - 84 - 1.8/8236=38, 3.0/9308=21...(20) QG2 THR 34 + QG2 ILE 56 OK 12 84 - 15 - 1526/4.0=3, 4.2/2569=2...(7) HG2 LYS 40 - QG2 ILE 56 lone 7 99 - 7 - 2.9/10672=1 HB3 LEU 3 - QG2 ILE 56 lone 6 87 - 6 - 3.0/9306=3 HB2 LEU 29 - QG2 ILE 56 lone 5 100 - 5 - 8184/2576=2 Peak 9327 from cnoeabs.peaks (0.97, 0.60, 16.63 ppm; 3.44 A): 3 out of 3 assignments used, quality = 0.88: QG2 THR 80 + QG2 ILE 56 OK 66 84 - 79 - 9734=36, 4.2/9310=14...(19) QG2 VAL 83 + QG2 ILE 56 OK 46 99 - 46 - 9328/2.1=9, 9806/3.0=7...(14) HG LEU 55 + QG2 ILE 56 OK 34 100 - 34 - 9328/2.1=8, 6918/4.0=6...(12) Peak 9328 from cnoeabs.peaks (0.96, 1.76, 38.18 ppm; 3.60 A): 3 out of 3 assignments used, quality = 0.75: QG2 VAL 83 + HB ILE 56 OK 42 96 - 44 - 9327/2.1=8, 9806/3.2=7...(12) HG LEU 55 + HB ILE 56 OK 37 94 - 39 - 3.7/9304=14, 6918/3.8=7...(10) QG2 VAL 5 + HB ILE 56 OK 32 94 - 34 - 179/4.4=5, 4.0/2568=5...(16) Peak 9329 from cnoeabs.peaks (1.34, 1.76, 38.18 ppm; 4.70 A): 3 out of 11 assignments used, quality = 0.99: QB ALA 67 + HB ILE 56 OK 86 98 - 87 - 9528/2.1=47, ~9322=18...(15) HG LEU 14 + HB ILE 56 OK 83 97 - 86 - 11079/2.1=36, 4.3/9321=9...(31) HB2 LYS 82 + HB ILE 56 OK 77 100 - 77 - ~9305=11, 3651=9...(23) HB3 LEU 27 - HB ILE 56 OK 31 100 - 31 - ~9317=5, 10680/2.9=3...(10) HB3 LEU 2 - HB ILE 56 OK 24 92 - 26 - 8047/9302=3, 9325/2.1=3...(9) QB ALA 89 - HB ILE 56 OK 23 99 - 23 - 9931/9328=7, ~9925=2...(7) HG3 LYS 68 - HB ILE 56 OK 18 98 - 18 - ~10672=3, 4.0/782=2...(7) HG2 LYS 39 - HB ILE 56 OK 15 100 - 15 - 10680/2.9=1, 9325/2.1=1 QB ALA 25 - HB ILE 56 lone 8 99 - 8 - 10475/9304=1 HG3 LYS 40 - HB ILE 56 lone 7 73 - 10 - ~9326=3 HG2 LYS 94 - HB ILE 56 lone 7 99 - 7 - Peak 9334 from cnoeabs.peaks (8.75, 5.39, 52.09 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.88: H ARG 81 + HA LEU 57 OK 88 99 - 89 - 11122=45, 10712/3.6=29...(16) Peak 9335 from cnoeabs.peaks (9.10, 5.39, 52.09 ppm; 5.79 A): 2 out of 2 assignments used, quality = 0.93: H VAL 83 + HA LEU 57 OK 90 96 - 94 - 9395/3.6=42, 9773=41...(12) H ARG 30 + HA LEU 57 OK 32 92 - 35 - 10505/3.0=18...(8) Peak 9336 from cnoeabs.peaks (8.79, 1.20, 42.45 ppm; 5.56 A): 2 out of 2 assignments used, quality = 0.97: H ILE 8 + HB2 LEU 57 OK 90 99 - 91 - 3.6/8271=39, 8288=29...(17) H SER 59 + HB2 LEU 57 OK 73 99 - 74 - 4.7/6946=29, 3.6/9368=27...(11) Peak 9337 from cnoeabs.peaks (8.78, 1.82, 42.45 ppm; 5.10 A): 2 out of 2 assignments used, quality = 0.61: H ILE 8 + HB3 LEU 57 OK 46 61 - 75 - 9331/3.9=22, 3.6/8272=20...(15) H SER 59 + HB3 LEU 57 OK 28 61 - 46 - 4.7/6947=17, 9331/3.9=12...(5) Peak 9338 from cnoeabs.peaks (8.76, 0.83, 23.91 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.82: H ARG 81 + QD1 LEU 57 OK 82 100 - 82 - 9736=29, 11122/4.0=27...(19) Peak 9339 from cnoeabs.peaks (9.20, 0.83, 23.91 ppm; 5.44 A): 2 out of 2 assignments used, quality = 0.83: H ILE 56 + QD1 LEU 57 OK 65 84 - 77 - 4.5/2641=22...(15) H THR 84 + QD1 LEU 57 OK 53 100 - 53 - 9340/2.1=18, 4.0/9363=14...(12) Peak 9340 from cnoeabs.peaks (9.20, 0.80, 25.48 ppm; 5.64 A): 2 out of 2 assignments used, quality = 0.90: H THR 84 + QD2 LEU 57 OK 69 99 - 70 - 4.0/9808=25, 4.4/9804=19...(10) H ILE 56 + QD2 LEU 57 OK 67 97 - 69 - 9339/2.1=22, 4.5/2633=21...(14) Peak 9341 from cnoeabs.peaks (7.43, 0.83, 23.91 ppm; 4.22 A): 3 out of 4 assignments used, quality = 0.79: HE3 TRP 92 + QD1 LEU 57 OK 54 99 - 55 - 4.2/9357=21, 4.2/9358=13...(9) H ALA 89 + QD1 LEU 57 OK 48 90 - 54 - 3.0/10698=12, ~9929=11...(12) HE22 GLN 72 + QD1 LEU 57 OK 13 99 - 12 - 1.7/9342=5, 9343/2.1=3 HE ARG 19 - QD1 LEU 57 lone 6 73 - 8 - 9343/2.1=2, 2.9/9358=2 Peak 9342 from cnoeabs.peaks (6.86, 0.83, 23.91 ppm; 4.12 A): 3 out of 5 assignments used, quality = 0.54: HD1 TRP 92 + QD1 LEU 57 OK 39 77 - 50 - 3.9/9357=22, 3.9/9358=13...(10) HE1 TYR 41 + QD1 LEU 57 OK 14 100 - 14 - 14627=4, 4.3/8910=2, 8907/2.1=2 HE2 TYR 41 + QD1 LEU 57 OK 14 100 - 14 - 14627=4, 4.3/14627=2, 8907/2.1=2 HE21 GLN 72 - QD1 LEU 57 lone 9 100 - 9 - 1.7/9341=4, ~9343=2 HD21 ASN 60 - QD1 LEU 57 lone 3 70 - 4 - 4099/9357=1 Peak 9343 from cnoeabs.peaks (7.43, 0.80, 25.48 ppm; 5.17 A): 4 out of 4 assignments used, quality = 0.89: HE3 TRP 92 + QD2 LEU 57 OK 65 99 - 66 - 9341/2.1=21, 4.2/9985=14...(14) H ALA 89 + QD2 LEU 57 OK 56 90 - 63 - 3.0/9929=24, 9341/2.1=19...(14) HE22 GLN 72 + QD2 LEU 57 OK 17 99 - 17 - 9341/2.1=5, ~9342=4, 9794/9808=1 HE ARG 19 + QD2 LEU 57 OK 14 73 - 19 - 3.6/8519=3, 9341/2.1=3...(8) Peak 9344 from cnoeabs.peaks (5.12, 1.82, 42.45 ppm; 4.47 A): 2 out of 5 assignments used, quality = 0.94: HA ILE 7 + HB3 LEU 57 OK 89 97 - 92 - 8271/1.8=40, 8272=24...(22) HA VAL 5 + HB3 LEU 57 OK 44 65 - 67 - 3.0/2617=13, ~2609=9...(19) HA LEU 3 - HB3 LEU 57 OK 27 99 - 27 - 9332/3.9=5, 9345/1.8=5...(10) HA SER 85 - HB3 LEU 57 OK 25 87 - 29 - 3.0/9861=9, 9345/1.8=4...(7) HA TYR 4 - HB3 LEU 57 OK 14 61 - 23 - 3.6/2617=12, 9332/3.9=4 Peak 9345 from cnoeabs.peaks (5.12, 1.20, 42.45 ppm; 4.71 A): 2 out of 5 assignments used, quality = 0.94: HA ILE 7 + HB2 LEU 57 OK 89 97 - 92 - 8271=43, 8272/1.8=23...(22) HA VAL 5 + HB2 LEU 57 OK 48 65 - 73 - 3.0/2609=14, ~2617=10...(19) HA LEU 3 - HB2 LEU 57 OK 26 99 - 26 - 9344/1.8=6, 9332/3.9=5...(10) HA SER 85 - HB2 LEU 57 OK 25 87 - 28 - ~9861=8, 9344/1.8=5...(7) HA TYR 4 - HB2 LEU 57 OK 15 61 - 24 - 3.6/2609=13, 9332/3.9=5...(4) Peak 9346 from cnoeabs.peaks (5.11, 0.83, 23.91 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.87: HA VAL 5 + QD1 LEU 57 OK 87 100 - 87 - 9261/10212=22...(21) Peak 9350 from cnoeabs.peaks (0.62, 5.39, 52.09 ppm; 4.85 A): 1 out of 1 assignment used, quality = 0.87: QD1 ILE 7 + HA LEU 57 OK 87 100 - 87 - 9355/2.9=20, ~8281=15...(24) Peak 9351 from cnoeabs.peaks (0.44, 5.39, 52.09 ppm; 5.68 A): 2 out of 2 assignments used, quality = 0.97: QD1 LEU 55 + HA LEU 57 OK 89 100 - 89 - 10211/4.0=32...(17) HG2 ARG 81 + HA LEU 57 OK 71 92 - 77 - 4.9/11122=35...(8) Peak 9352 from cnoeabs.peaks (0.97, 5.39, 52.09 ppm; 4.11 A): 3 out of 3 assignments used, quality = 0.98: QG2 VAL 83 + HA LEU 57 OK 85 92 - 92 - 9819/2.9=31, 2.1/9797=28...(20) QG2 THR 80 + HA LEU 57 OK 66 97 - 68 - 9366/3.6=25...(14) HG LEU 55 + HA LEU 57 OK 60 94 - 64 - 9363/4.0=13, 9356/2.9=12...(16) Peak 9353 from cnoeabs.peaks (0.61, 1.20, 42.45 ppm; 4.54 A): 2 out of 2 assignments used, quality = 0.93: QD1 ILE 7 + HB2 LEU 57 OK 75 84 - 90 - 4.2/8271=25, 9355/1.8=24...(24) QG2 ILE 56 + HB2 LEU 57 OK 72 96 - 75 - 6932/3.9=33...(17) Peak 9354 from cnoeabs.peaks (0.96, 1.20, 42.45 ppm; 3.88 A): 2 out of 4 assignments used, quality = 0.99: QG2 VAL 83 + HB2 LEU 57 OK 94 100 - 94 - 9819=49, 2.1/9820=23...(19) HG LEU 55 + HB2 LEU 57 OK 86 100 - 86 - ~10212=17, ~10217=15...(22) QG2 VAL 5 - HB2 LEU 57 OK 32 77 - 41 - 4.0/2609=8, ~9346=7...(12) QG2 THR 80 - HB2 LEU 57 OK 29 61 - 48 - 4.2/9737=14, ~9723=8...(10) Peak 9355 from cnoeabs.peaks (0.61, 1.82, 42.45 ppm; 4.44 A): 2 out of 2 assignments used, quality = 0.94: QD1 ILE 7 + HB3 LEU 57 OK 86 97 - 89 - 9350/2.9=25, 2.1/8284=20...(21) QG2 ILE 56 + HB3 LEU 57 OK 55 81 - 68 - 6932/3.9=27, 9353/1.8=18...(17) Peak 9356 from cnoeabs.peaks (0.97, 1.82, 42.45 ppm; 4.13 A): 2 out of 3 assignments used, quality = 0.99: QG2 VAL 83 + HB3 LEU 57 OK 92 99 - 93 - 9819/1.8=45, 9783/2.9=25...(19) HG LEU 55 + HB3 LEU 57 OK 90 100 - 90 - ~10212=20, ~10217=17...(18) QG2 THR 80 - HB3 LEU 57 OK 44 84 - 53 - 9366/4.6=14, ~9723=9...(9) Peak 9357 from cnoeabs.peaks (3.10, 0.83, 23.91 ppm; 3.99 A): 1 out of 3 assignments used, quality = 0.58: HB2 TRP 92 + QD1 LEU 57 OK 58 100 - 58 - 1.8/9358=19, 9985/2.1=14...(10) HB2 PHE 96 - QD1 LEU 57 lone 8 100 - 8 - 9265/10212=2...(4) HD3 ARG 30 - QD1 LEU 57 lone 2 73 - 2 - Peak 9358 from cnoeabs.peaks (3.19, 0.83, 23.91 ppm; 4.17 A): 2 out of 6 assignments used, quality = 0.83: HB3 TRP 92 + QD1 LEU 57 OK 70 100 - 70 - 1.8/9357=34...(10) HD3 ARG 46 + QD1 LEU 57 OK 43 100 - 44 - 9020/2.1=9, 3.0/2644=6...(15) HD2 ARG 19 - QD1 LEU 57 poor 7 65 - 10 - 2.9/9341=2, ~8519=2...(5) HD3 ARG 19 - QD1 LEU 57 poor 7 65 - 10 - 2.9/9341=2, ~8519=2...(5) HB2 ASP 77 - QD1 LEU 57 lone 3 81 - 3 - HB2 HIS 106 - QD1 LEU 57 lone 2 92 - 2 - Peak 9359 from cnoeabs.peaks (3.12, 0.80, 25.48 ppm; 5.78 A): 0 out of 1 assignment used, low quality = 0.00: HB2 HIS 105 - QD2 LEU 57 lone 2 100 - 2 - Peak 9360 from cnoeabs.peaks (3.56, 0.80, 25.48 ppm; 5.92 A): 0 out of 1 assignment used, low quality = 0.00: HA ILE 93 - QD2 LEU 57 lone 8 90 - 9 - 9262/10217=4, 4127/9985=2 Peak 9361 from cnoeabs.peaks (2.10, 5.39, 52.09 ppm; 5.89 A): 7 out of 10 assignments used, quality = 0.89: HB VAL 83 + HA LEU 57 OK 71 73 - 97 - 2.1/9797=48, 2.1/9783=42...(14) HB2 LEU 64 + HA LEU 57 OK 21 73 - 29 - 1.8/2605=4, 9362/2.9=4...(11) HG3 GLU 104 + HA LEU 57 OK 16 100 - 16 - 9362/2.9=3, 10215/2.9=3...(5) HB3 GLU 88 + HA LEU 57 OK 15 61 - 24 - 10215/2.9=4, 1.8/2604=3...(10) HB3 PRO 86 + HA LEU 57 OK 13 96 - 13 - 10215/2.9=3, 9362/2.9=3...(4) QE MET 21 + HA LEU 57 OK 12 100 - 12 - 10215/2.9=3, 9362/2.9=2 HB3 GLU 35 + HA LEU 57 OK 11 73 - 15 - 10215/2.9=4, 9362/2.9=3...(5) HG3 GLU 37 - HA LEU 57 poor 10 84 - 12 - 9362/2.9=3, 10215/2.9=2 HB3 GLU 62 - HA LEU 57 lone 7 96 - 8 - 9382/10706=2...(3) HB2 GLU 23 - HA LEU 57 lone 6 92 - 7 - 10215/2.9=2, 9362/2.9=1 Peak 9362 from cnoeabs.peaks (2.10, 1.20, 42.45 ppm; 5.53 A): 8 out of 10 assignments used, quality = 0.91: HB VAL 83 + HB2 LEU 57 OK 72 73 - 98 - 2.1/9819=49, 2.1/9809=32...(18) HB2 LEU 64 + HB2 LEU 57 OK 19 73 - 26 - 9361/2.9=4, 1.8/2613=4...(9) HB3 GLU 35 + HB2 LEU 57 OK 16 73 - 22 - ~10698=4, 10215/1.8=4...(9) HG3 GLU 104 + HB2 LEU 57 OK 16 100 - 16 - 10215/1.8=3, 9361/2.9=3...(5) HB3 GLU 88 + HB2 LEU 57 OK 16 61 - 26 - 10215/1.8=4, 1.8/2612=3...(12) HB3 PRO 86 + HB2 LEU 57 OK 15 96 - 16 - 10215/1.8=3, 9858/8271=3...(4) HG3 GLU 37 + HB2 LEU 57 OK 13 84 - 15 - 10215/1.8=2, 9361/2.9=2...(7) QE MET 21 + HB2 LEU 57 OK 11 100 - 11 - 10215/1.8=3, 9361/2.9=2 HB3 GLU 62 - HB2 LEU 57 lone 6 96 - 6 - 9361/2.9=1, 10215/1.8=1 HB2 GLU 23 - HB2 LEU 57 lone 5 92 - 6 - 10215/1.8=2, 9361/2.9=1 Peak 9363 from cnoeabs.peaks (0.98, 0.83, 23.91 ppm; 2.85 A): 3 out of 3 assignments used, quality = 0.83: HG LEU 55 + QD1 LEU 57 OK 55 77 - 71 - 2.1/10212=25...(19) QG2 VAL 83 + QD1 LEU 57 OK 40 73 - 55 - 9819/3.1=10, ~9808=7...(19) QG2 THR 80 + QD1 LEU 57 OK 37 100 - 37 - 4.2/9338=10, 2.1/9723=6...(9) Peak 9364 from cnoeabs.peaks (0.96, 0.80, 25.48 ppm; 3.25 A): 2 out of 4 assignments used, quality = 0.95: HG LEU 55 + QD2 LEU 57 OK 80 100 - 80 - 2.1/10217=22...(18) QG2 VAL 83 + QD2 LEU 57 OK 76 100 - 76 - 9819/3.1=23, 2.1/9808=19...(20) QG2 VAL 5 - QD2 LEU 57 OK 24 77 - 31 - ~9346=6, 4.0/2633=5...(12) QG2 THR 80 - QD2 LEU 57 OK 17 61 - 27 - ~9723=7, 9363/2.1=4...(7) Peak 9365 from cnoeabs.peaks (0.97, 1.50, 26.28 ppm; 4.07 A): 2 out of 3 assignments used, quality = 0.99: HG LEU 55 + HG LEU 57 OK 92 100 - 92 - 2.1/10214=28, ~10212=27...(16) QG2 VAL 83 + HG LEU 57 OK 87 99 - 87 - 9819/3.0=35, 9783/4.3=18...(17) QG2 THR 80 - HG LEU 57 OK 37 84 - 44 - ~9723=12, 9363/2.1=10...(9) Peak 9367 from cnoeabs.peaks (0.94, 5.25, 58.24 ppm; 4.86 A): 0 out of 2 assignments used, low quality = 0.28: HB2 ARG 81 - HA VAL 58 OK 18 90 - 20 - ~9387=8, ~10717=2...(6) QG2 VAL 5 - HA VAL 58 OK 12 100 - 12 - ~6954=2, 2.1/2653=2...(5) Peak 9368 from cnoeabs.peaks (1.20, 5.25, 58.24 ppm; 5.55 A): 1 out of 2 assignments used, quality = 0.97: HB2 LEU 57 + HA VAL 58 OK 97 100 - 97 - 6946/3.0=37, ~6945=33...(24) HB2 LEU 6 - HA VAL 58 OK 20 61 - 33 - 6946/3.0=10, 8288/8298=6...(11) Peak 9369 from cnoeabs.peaks (1.36, 5.25, 58.24 ppm; 4.77 A): 3 out of 10 assignments used, quality = 0.99: HG12 ILE 8 + HA VAL 58 OK 96 100 - 96 - 2.9/8300=43, 8304=31...(24) HG LEU 14 + HA VAL 58 OK 70 90 - 78 - 2.1/2652=14, 3.0/9374=11...(26) HB2 LYS 82 + HA VAL 58 OK 55 65 - 84 - ~10222=17, ~9372=17...(17) HB2 LEU 70 - HA VAL 58 OK 35 96 - 36 - 3.0/9390=7, 9371/3.0=5...(14) HB3 LEU 27 - HA VAL 58 OK 16 70 - 23 - ~9383=3, ~9379=3...(12) HB3 ARG 30 - HA VAL 58 OK 15 92 - 16 - 9371/3.0=3, 8718/3.2=2...(7) HG3 LYS 40 - HA VAL 58 OK 11 100 - 11 - 293/8300=1, 9371/3.0=1...(4) HG3 LYS 68 - HA VAL 58 poor 10 87 - 11 - 10570/3.2=2, 9371/3.0=1, ~6947=1 HG2 LYS 39 - HA VAL 58 poor 8 73 - 11 - 10570/3.2=3, 9377/3.0=1 HG3 LYS 94 - HA VAL 58 lone 3 57 - 6 - Peak 9370 from cnoeabs.peaks (1.49, 5.25, 58.24 ppm; 5.31 A): 3 out of 11 assignments used, quality = 0.98: HB3 LEU 64 + HA VAL 58 OK 84 99 - 85 - ~9388=25, ~9385=25...(15) HG LEU 57 + HA VAL 58 OK 66 77 - 86 - 3.0/9368=27, ~2648=20...(16) HG LEU 64 + HA VAL 58 OK 57 98 - 59 - ~10755=15, ~9477=12...(11) HG2 LYS 66 - HA VAL 58 OK 25 99 - 25 - 3.0/10699=3, ~6948=3...(11) HG3 LYS 66 - HA VAL 58 OK 24 97 - 25 - 3.0/10699=3, 6948/3.0=3...(11) HG3 LYS 13 - HA VAL 58 lone 5 90 - 6 - 6948/3.0=1, ~8387=1 HB2 ARG 91 - HA VAL 58 lone 5 100 - 5 - HG2 LYS 73 - HA VAL 58 lone 5 98 - 5 - HG2 LYS 47 - HA VAL 58 lone 4 99 - 4 - HG3 LYS 53 - HA VAL 58 lone 4 65 - 5 - HG3 LYS 33 - HA VAL 58 lone 2 65 - 3 - Peak 9373 from cnoeabs.peaks (2.21, 5.25, 58.24 ppm; 5.09 A): 2 out of 10 assignments used, quality = 0.94: HB2 GLU 63 + HA VAL 58 OK 90 96 - 94 - ~10233=30, 10236/3.0=30...(23) HB2 GLU 95 + HA VAL 58 OK 43 100 - 43 - 3.0/9390=9, 10220/3.2=8...(10) HG3 PRO 86 - HA VAL 58 OK 31 92 - 34 - 9889/3.2=7, ~9883=6...(8) HG2 GLU 35 - HA VAL 58 OK 19 94 - 20 - 10700/3.0=3, ~9382=3...(7) HG3 GLU 35 - HA VAL 58 OK 19 94 - 20 - 10700/3.0=3, ~9382=3...(7) HG2 GLU 43 - HA VAL 58 poor 8 70 - 11 - ~10607=2, 9401/3.6=2...(4) HB3 GLU 75 - HA VAL 58 lone 7 73 - 9 - 9889/3.2=1, 9401/3.6=1...(4) HG2 MET 1 - HA VAL 58 lone 7 97 - 7 - 9401/3.6=2, 10700/3.0=1 HG2 GLU 98 - HA VAL 58 lone 3 92 - 3 - HG2 GLU 99 - HA VAL 58 lone 2 73 - 2 - Peak 9374 from cnoeabs.peaks (1.89, 5.25, 58.24 ppm; 3.49 A): 4 out of 7 assignments used, quality = 0.95: HB ILE 8 + HA VAL 58 OK 86 100 - 87 - 8300=44, 3.8/8298=20...(24) HB3 LEU 14 + HA VAL 58 OK 47 92 - 52 - 3.1/2652=7, 10224/3.2=6...(27) HG LEU 42 + HA VAL 58 OK 17 99 - 17 - 2.1/2652=3, 10224/3.2=2...(6) HB2 ARG 19 + HA VAL 58 OK 14 100 - 14 - 10224/3.2=2, 10701/3.0=2...(5) HB VAL 54 - HA VAL 58 lone 8 97 - 8 - 10224/3.2=2, 10701/3.0=1 HB2 LYS 20 - HA VAL 58 lone 7 100 - 7 - HB2 GLU 43 - HA VAL 58 lone 5 81 - 6 - Peak 9375 from cnoeabs.peaks (1.76, 2.60, 33.16 ppm; 3.90 A): 3 out of 6 assignments used, quality = 0.94: HB3 LYS 82 + HB VAL 58 OK 74 100 - 74 - ~10222=15, ~10228=14...(16) HB3 GLU 63 + HB VAL 58 OK 71 81 - 88 - 10233=30, 1.8/10236=26...(20) HB ILE 56 + HB VAL 58 OK 28 100 - 28 - 9380/2.1=4, 3.2/8307=3...(12) HB2 LYS 66 - HB VAL 58 OK 19 100 - 19 - 2884/10235=3, 9380/2.1=3...(10) HG3 ARG 19 - HB VAL 58 OK 16 99 - 16 - 3.0/10701=2, ~8518=2...(7) HB VAL 78 - HB VAL 58 OK 14 73 - 19 - 10225/2.1=3, 9380/2.1=3...(8) Peak 9376 from cnoeabs.peaks (1.48, 2.60, 33.16 ppm; 5.17 A): 3 out of 17 assignments used, quality = 0.95: HB3 LEU 64 + HB VAL 58 OK 68 77 - 88 - ~9388=31, ~9385=31...(13) HG LEU 64 + HB VAL 58 OK 64 99 - 64 - 4.8/10237=20, ~9477=15...(10) HD2 LYS 82 + HB VAL 58 OK 54 73 - 73 - ~10222=26, ~9760=14...(9) HB2 LEU 27 - HB VAL 58 OK 20 65 - 30 - ~9384=5, 9383/2.1=5...(12) HG2 LYS 66 - HB VAL 58 OK 18 73 - 24 - 3.0/9375=4, ~9515=3...(11) HG13 ILE 52 - HB VAL 58 OK 16 65 - 25 - 3.2/12317=7, 9383/2.1=3...(9) HG3 LYS 66 - HB VAL 58 OK 16 65 - 24 - 3.0/9375=4, ~9515=3...(11) HG LEU 38 - HB VAL 58 OK 15 73 - 20 - ~9382=4, 9383/2.1=3...(9) HD3 LYS 40 - HB VAL 58 OK 14 92 - 15 - 9379/2.1=3, ~9379=2...(6) HD2 LYS 40 - HB VAL 58 OK 14 90 - 15 - 9379/2.1=3, 9383/2.1=2...(5) HG2 LYS 20 - HB VAL 58 poor 7 65 - 10 - 3.0/10701=2, ~10218=1...(5) HG3 LYS 53 - HB VAL 58 lone 6 97 - 7 - 9379/2.1=1, 9383/2.1=1 HG2 LYS 53 - HB VAL 58 lone 6 87 - 7 - 9379/2.1=1, 9383/2.1=1 HB2 ARG 91 - HB VAL 58 lone 5 90 - 6 - HD2 LYS 53 - HB VAL 58 lone 4 73 - 6 - HG2 LYS 73 - HB VAL 58 lone 2 70 - 3 - HG2 LYS 47 - HB VAL 58 lone 2 73 - 3 - Peak 9377 from cnoeabs.peaks (1.35, 2.60, 33.16 ppm; 5.26 A): 3 out of 13 assignments used, quality = 1.00: HG12 ILE 8 + HB VAL 58 OK 90 96 - 94 - 8304/3.0=29, ~8300=26...(19) HG LEU 14 + HB VAL 58 OK 83 99 - 84 - 2.1/2658=14, 615/2.1=13...(27) HB2 LYS 82 + HB VAL 58 OK 78 87 - 89 - ~10222=27, ~10228=26...(17) HB3 LEU 27 - HB VAL 58 OK 29 90 - 32 - ~9383=4, ~9379=4...(13) HB2 LEU 70 - HB VAL 58 OK 27 81 - 34 - ~9544=5, ~9390=5...(11) HG2 LYS 39 - HB VAL 58 OK 16 92 - 18 - 10570/2.1=4...(4) HG3 LYS 40 - HB VAL 58 OK 15 99 - 15 - ~9379=2, ~9383=2...(6) HG3 LYS 68 - HB VAL 58 OK 14 98 - 14 - 10570/2.1=3, ~10218=1...(6) QB ALA 89 - HB VAL 58 OK 13 73 - 18 - 2.1/9389=5, ~9930=3...(4) QB ALA 67 - HB VAL 58 OK 13 65 - 19 - ~9520=4, 9378/2.1=3...(7) HG2 LYS 94 - HB VAL 58 OK 12 73 - 17 - 4.9/9394=12, 9378/2.1=1 HB3 ARG 30 - HB VAL 58 OK 11 73 - 15 - 9371/4.0=3, 8718/2.1=2...(6) QB ALA 25 - HB VAL 58 OK 10 73 - 14 - ~9392=4, 2.9/10709=2...(4) Peak 9378 from cnoeabs.peaks (1.34, 0.68, 19.32 ppm; 3.63 A): 2 out of 11 assignments used, quality = 0.94: HB2 LYS 82 + QG2 VAL 58 OK 84 100 - 84 - 3.0/10228=23...(18) HG LEU 14 + QG2 VAL 58 OK 65 97 - 67 - 615=12, 2.1/631=10...(24) QB ALA 67 - QG2 VAL 58 OK 25 98 - 26 - 2981/9475=8, 9527/2.1=4...(5) HB3 LEU 27 - QG2 VAL 58 OK 25 100 - 25 - 1.8/9379=3, 1201/2.1=2...(7) QB ALA 89 - QG2 VAL 58 OK 17 99 - 17 - ~9389=2, 7344/10710=1...(4) HG2 LYS 39 - QG2 VAL 58 OK 16 100 - 16 - 10570=5 HG3 LYS 68 - QG2 VAL 58 OK 15 98 - 15 - 10570=3, 12321/10221=2...(4) QB ALA 25 - QG2 VAL 58 OK 15 99 - 15 - 2.9/9392=3, 1155/9392=1 HG2 LYS 94 - QG2 VAL 58 lone 8 99 - 8 - 4.9/9391=2 HB3 LEU 2 - QG2 VAL 58 lone 8 92 - 9 - HG3 LYS 40 - QG2 VAL 58 poor 8 73 - 10 - 3.0/9379=2, 3.0/9379=2 Peak 9379 from cnoeabs.peaks (1.47, 0.68, 19.32 ppm; 3.39 A): 6 out of 14 assignments used, quality = 0.84: HD2 LYS 82 + QG2 VAL 58 OK 53 92 - 58 - 2.9/10222=19...(11) HG LEU 64 + QG2 VAL 58 OK 43 90 - 48 - 4.3/9388=17, 3.0/9477=10...(11) HB2 LEU 27 + QG2 VAL 58 OK 16 87 - 18 - 1.8/9378=3, 9383/2.1=3...(5) HG13 ILE 52 + QG2 VAL 58 OK 11 87 - 13 - ~12317=2, 9383/2.1=2 HD2 LYS 40 + QG2 VAL 58 OK 10 99 - 10 - 9383/2.1=1 HD3 LYS 40 + QG2 VAL 58 OK 10 99 - 10 - 9383/2.1=1 HG LEU 38 - QG2 VAL 58 lone 9 92 - 10 - 9383/2.1=2, ~9382=2 HB2 LEU 38 - QG2 VAL 58 poor 9 81 - 11 - ~9382=2, ~8855=2, 9383/2.1=2 HG2 LYS 53 - QG2 VAL 58 lone 4 98 - 4 - HG2 LYS 20 - QG2 VAL 58 lone 4 87 - 5 - HG3 LYS 53 - QG2 VAL 58 lone 4 100 - 4 - HD2 LYS 53 - QG2 VAL 58 lone 3 92 - 4 - HG3 ARG 91 - QG2 VAL 58 lone 2 70 - 3 - HB2 ARG 91 - QG2 VAL 58 lone 2 70 - 3 - Peak 9380 from cnoeabs.peaks (1.77, 0.68, 19.32 ppm; 3.88 A): 2 out of 7 assignments used, quality = 0.98: HB3 GLU 63 + QG2 VAL 58 OK 89 99 - 90 - 10233/2.1=32, ~10236=17...(22) HB3 LYS 82 + QG2 VAL 58 OK 84 94 - 89 - 3.0/10228=26...(18) HB ILE 56 - QG2 VAL 58 OK 35 92 - 38 - 10225/2.1=4, 9375/2.1=4...(17) HB VAL 78 - QG2 VAL 58 OK 26 97 - 27 - 10225/2.1=5, 9399/4.2=3...(12) HB2 LYS 66 - QG2 VAL 58 OK 23 97 - 24 - 10225/2.1=3, 9375/2.1=3...(10) HG3 ARG 19 - QG2 VAL 58 OK 17 84 - 20 - 1.8/8518=2, 9375/2.1=2...(9) HG3 ARG 46 - QG2 VAL 58 lone 4 81 - 5 - Peak 9381 from cnoeabs.peaks (2.18, 0.72, 21.78 ppm; 4.04 A): 4 out of 12 assignments used, quality = 0.76: HB2 GLU 63 + QG1 VAL 58 OK 64 73 - 87 - ~10233=24, 1.8/10225=16...(19) HG3 PRO 86 + QG1 VAL 58 OK 19 81 - 24 - ~9883=5, ~10219=4...(7) HG3 GLU 35 + QG1 VAL 58 OK 10 77 - 13 - 2.9/9382=4, ~10700=2...(6) HG2 GLU 35 + QG1 VAL 58 OK 10 77 - 13 - 2.9/9382=4, ~10700=2...(6) HB3 GLN 50 - QG1 VAL 58 lone 10 97 - 10 - 4.0/2667=4, 4.6/2667=3 HB3 GLU 16 - QG1 VAL 58 lone 7 73 - 10 - 1.8/9382=3, 3.0/9463=2...(4) HG2 GLU 43 - QG1 VAL 58 lone 7 97 - 7 - 1.8/10607=1 HB3 GLU 75 - QG1 VAL 58 lone 6 96 - 6 - 4.1/9647=1 HG3 GLU 75 - QG1 VAL 58 lone 4 97 - 4 - HB2 GLN 72 - QG1 VAL 58 lone 4 65 - 5 - 3.9/9558=2, 3.0/9566=1 HG2 GLU 75 - QG1 VAL 58 lone 3 94 - 4 - HG2 MET 1 - QG1 VAL 58 lone 2 70 - 3 - Peak 9382 from cnoeabs.peaks (2.08, 0.72, 21.78 ppm; 4.69 A): 5 out of 8 assignments used, quality = 0.62: HB3 GLU 62 + QG1 VAL 58 OK 29 99 - 30 - 4.6/10720=17...(4) HB3 LEU 38 + QG1 VAL 58 OK 17 87 - 20 - 3.0/8855=5, 3.8/8851=3...(6) HB3 GLU 35 + QG1 VAL 58 OK 16 99 - 16 - 2.9/9381=3, 2.9/9381=3...(6) HB2 GLU 23 + QG1 VAL 58 OK 12 100 - 12 - 2.9/10716=3, ~11013=2 HB2 GLU 16 + QG1 VAL 58 OK 12 94 - 12 - 3.0/9463=2, 1.8/9381=2...(4) QE MET 21 - QG1 VAL 58 lone 8 81 - 10 - 10445/2.1=3, 1000/4.2=2 HB3 GLU 88 - QG1 VAL 58 lone 8 97 - 8 - 9917/10223=4 HG3 GLU 104 - QG1 VAL 58 lone 4 84 - 5 - 9728/10223=1 Peak 9383 from cnoeabs.peaks (1.47, 0.72, 21.78 ppm; 4.03 A): 8 out of 14 assignments used, quality = 0.93: HD2 LYS 82 + QG1 VAL 58 OK 63 92 - 69 - ~10222=16, 3.5/9384=16...(12) HG LEU 64 + QG1 VAL 58 OK 49 90 - 54 - 4.3/9385=24, 9379/2.1=10...(9) HB2 LEU 27 + QG1 VAL 58 OK 23 87 - 26 - 1.8/9384=5, 9379/2.1=4...(11) HG13 ILE 52 + QG1 VAL 58 OK 16 87 - 18 - ~12317=4, 9379/2.1=3...(7) HG LEU 38 + QG1 VAL 58 OK 16 92 - 17 - 3.0/9382=4, 3.7/8855=3...(4) HB2 LEU 38 + QG1 VAL 58 OK 15 81 - 18 - 1.8/9382=5, 3.0/8855=4...(5) HD2 LYS 40 + QG1 VAL 58 OK 12 99 - 12 - 9379/2.1=2, ~9379=2 HD3 LYS 40 + QG1 VAL 58 OK 12 99 - 12 - 9379/2.1=2, ~9379=2 HG2 LYS 20 - QG1 VAL 58 lone 6 87 - 7 - 3.0/10224=1, 9379/2.1=1 HG2 LYS 53 - QG1 VAL 58 lone 5 98 - 5 - 9379/2.1=1 HG3 LYS 53 - QG1 VAL 58 lone 5 100 - 5 - HD2 LYS 53 - QG1 VAL 58 lone 4 92 - 5 - HG3 ARG 91 - QG1 VAL 58 lone 3 70 - 4 - HB2 ARG 91 - QG1 VAL 58 lone 2 70 - 3 - Peak 9384 from cnoeabs.peaks (1.32, 0.72, 21.78 ppm; 3.27 A): 2 out of 7 assignments used, quality = 0.50: HB2 LYS 82 + QG1 VAL 58 OK 40 65 - 61 - 3.0/9386=12, ~10222=10...(14) QB ALA 67 + QG1 VAL 58 OK 16 87 - 19 - 2981/9385=7, 9527=3...(6) HB3 LEU 27 - QG1 VAL 58 poor 9 61 - 14 - 1.8/9383=2, ~9379=2...(4) QB ALA 89 - QG1 VAL 58 lone 5 81 - 6 - ~9389=1, ~9930=1 QB ALA 25 - QG1 VAL 58 lone 4 81 - 5 - ~9392=1 HB3 LEU 2 - QG1 VAL 58 lone 4 96 - 4 - HG2 LYS 94 - QG1 VAL 58 lone 2 81 - 3 - Peak 9385 from cnoeabs.peaks (3.75, 0.72, 21.78 ppm; 3.64 A): 1 out of 1 assignment used, quality = 0.67: HA LEU 64 + QG1 VAL 58 OK 67 100 - 67 - 9388/2.1=26, ~10237=10...(17) Peak 9386 from cnoeabs.peaks (4.69, 0.72, 21.78 ppm; 4.87 A): 2 out of 2 assignments used, quality = 0.81: HA LYS 82 + QG1 VAL 58 OK 79 87 - 91 - 9372/4.0=28...(20) HA LEU 55 + QG1 VAL 58 OK 11 61 - 17 - 3.7/10223=7, 3.6/6925=3...(5) Peak 9387 from cnoeabs.peaks (4.36, 0.68, 19.32 ppm; 4.59 A): 3 out of 4 assignments used, quality = 0.74: HA ARG 81 + QG2 VAL 58 OK 50 100 - 50 - 3.6/10711=28, ~9367=9...(14) HA ASP 61 + QG2 VAL 58 OK 39 100 - 39 - 9448=18, 9441/9392=5...(11) HA ASN 26 + QG2 VAL 58 OK 16 97 - 16 - 10477/9392=3...(7) HA SER 102 - QG2 VAL 58 lone 2 73 - 3 - ~11090=1 Peak 9388 from cnoeabs.peaks (3.74, 0.68, 19.32 ppm; 3.55 A): 1 out of 1 assignment used, quality = 0.60: HA LEU 64 + QG2 VAL 58 OK 60 81 - 74 - 9385/2.1=24, 9475=21...(13) Peak 9389 from cnoeabs.peaks (3.90, 2.60, 33.16 ppm; 5.66 A): 1 out of 7 assignments used, quality = 0.94: HA GLU 63 + HB VAL 58 OK 94 96 - 98 - 3.0/10233=47...(20) HA ALA 89 - HB VAL 58 OK 23 99 - 23 - 9930/2.1=4, ~9384=3...(9) HB2 SER 85 - HB VAL 58 OK 21 100 - 21 - ~9876=6, ~9867=4...(6) HA GLU 35 - HB VAL 58 poor 9 61 - 14 - ~9382=4, 4.1/10700=3 HB2 SER 102 - HB VAL 58 lone 4 87 - 5 - ~11090=2 HA ARG 91 - HB VAL 58 lone 4 65 - 6 - 7524/9394=1 HA3 GLY 101 - HB VAL 58 lone 3 84 - 3 - Peak 9390 from cnoeabs.peaks (4.02, 5.25, 58.24 ppm; 5.55 A): 3 out of 4 assignments used, quality = 0.78: HB3 SER 59 + HA VAL 58 OK 51 70 - 73 - 4.0/6958=45, 4.6/9422=35...(6) HA GLU 95 + HA VAL 58 OK 35 100 - 35 - ~9394=11, 3.0/9373=7...(7) HA LEU 70 + HA VAL 58 OK 31 100 - 31 - 3.0/9369=4, 4.0/10703=4...(10) HA GLU 75 - HA VAL 58 lone 4 61 - 7 - 2.9/9373=1, ~9381=1, ~9889=1 Peak 9391 from cnoeabs.peaks (8.37, 0.68, 19.32 ppm; 5.24 A): 3 out of 4 assignments used, quality = 0.84: H GLU 63 + QG2 VAL 58 OK 74 92 - 80 - 4.6/9392=21, ~10235=19...(13) H GLU 95 + QG2 VAL 58 OK 25 81 - 32 - 9394/2.1=13, 4.0/10220=7...(5) H TYR 4 + QG2 VAL 58 OK 18 81 - 22 - 9394/2.1=6, 3.8/8145=4...(5) H ILE 93 - QG2 VAL 58 lone 7 90 - 8 - 9394/2.1=3 Peak 9392 from cnoeabs.peaks (7.71, 0.68, 19.32 ppm; 3.39 A): 4 out of 4 assignments used, quality = 0.87: H LEU 64 + QG2 VAL 58 OK 74 98 - 76 - 3.0/9388=25, 9467=20...(16) H ASN 60 + QG2 VAL 58 OK 24 61 - 39 - 9410/2.1=13, 4.6/6960=9...(7) H SER 49 + QG2 VAL 58 OK 21 81 - 26 - 3.6/9037=5, 4.6/2661=3...(10) H ALA 25 + QG2 VAL 58 OK 14 100 - 14 - 2800/9475=2, 2.9/9378=1...(4) Peak 9393 from cnoeabs.peaks (7.93, 0.68, 19.32 ppm; 5.51 A): 2 out of 2 assignments used, quality = 0.80: H ASP 65 + QG2 VAL 58 OK 78 98 - 79 - 3.6/9388=45, 4.6/9392=22...(10) H GLN 72 + QG2 VAL 58 OK 10 65 - 15 - 2807/9475=3, 7041/9392=2...(6) Peak 9394 from cnoeabs.peaks (8.36, 2.60, 33.16 ppm; 6.05 A): 0 out of 3 assignments used, low quality = 0.40: H GLU 95 - HB VAL 58 OK 29 100 - 30 - 4.0/10700=8, ~9390=7...(5) H TYR 4 - HB VAL 58 OK 15 100 - 14 - 9391/2.1=5, 3.8/10718=5 H ILE 93 - HB VAL 58 lone 8 100 - 8 - 9391/2.1=2, 4285/10700=1 Peak 9404 from cnoeabs.peaks (4.44, 4.16, 65.60 ppm; 5.38 A): 4 out of 4 assignments used, quality = 0.70: HB THR 84 + HB2 SER 59 OK 41 100 - 41 - ~9843=23, 9405/1.8=15...(4) HA GLU 48 + HB2 SER 59 OK 22 81 - 27 - 9405/1.8=10, 9403/4.0=6...(6) HA SER 9 + HB2 SER 59 OK 21 84 - 25 - 9405/1.8=10, ~12230=8 HA ILE 76 + HB2 SER 59 OK 20 81 - 24 - 9405/1.8=10, 9403/4.0=5...(5) Peak 9405 from cnoeabs.peaks (4.44, 4.04, 65.60 ppm; 4.85 A): 4 out of 4 assignments used, quality = 0.68: HB THR 84 + HB3 SER 59 OK 33 99 - 34 - ~9843=19, 9404/1.8=13 HA GLU 48 + HB3 SER 59 OK 22 96 - 23 - 9404/1.8=7, 9403/4.0=5...(5) HA SER 9 + HB3 SER 59 OK 22 97 - 23 - 3.0/12230=9, 9404/1.8=6 HA ILE 76 + HB3 SER 59 OK 22 96 - 23 - 9404/1.8=6, 9403/4.0=4...(7) Peak 9406 from cnoeabs.peaks (0.96, 4.04, 65.60 ppm; 5.74 A): 3 out of 4 assignments used, quality = 0.77: QG2 VAL 83 + HB3 SER 59 OK 69 100 - 69 - 9784/3.0=36, 9407/1.8=29...(4) HG LEU 55 + HB3 SER 59 OK 15 100 - 15 - 9407/1.8=6, 9397/4.0=4 QG2 THR 80 + HB3 SER 59 OK 13 61 - 21 - 9397/4.0=12, 10728/3.0=6 QG2 VAL 5 - HB3 SER 59 lone 3 77 - 4 - 9407/1.8=2 Peak 9407 from cnoeabs.peaks (0.96, 4.16, 65.60 ppm; 5.98 A): 2 out of 3 assignments used, quality = 0.63: QG2 VAL 83 + HB2 SER 59 OK 58 96 - 61 - 9784/3.0=34, 9828/1.8=31...(4) HG LEU 55 + HB2 SER 59 OK 13 94 - 13 - 9406/1.8=6, 9397/4.0=4 QG2 VAL 5 - HB2 SER 59 lone 3 94 - 4 - 9406/1.8=1 Peak 9408 from cnoeabs.peaks (0.69, 4.16, 65.60 ppm; 5.04 A): 4 out of 5 assignments used, quality = 0.65: QG2 VAL 58 + HB2 SER 59 OK 43 92 - 47 - 4.2/6963=25, ~9390=9...(7) QD1 LEU 14 + HB2 SER 59 OK 24 96 - 25 - 6960/4.0=9, ~9409=5...(7) QD1 ILE 52 + HB2 SER 59 OK 11 94 - 12 - 9420/4.6=4, 9409/1.8=1 QD1 LEU 42 + HB2 SER 59 OK 10 100 - 10 - 9420/4.6=3, 6960/4.0=2 QD2 LEU 6 - HB2 SER 59 lone 8 100 - 8 - 6960/4.0=2, 9420/4.6=2 Peak 9409 from cnoeabs.peaks (0.70, 4.04, 65.60 ppm; 4.87 A): 7 out of 9 assignments used, quality = 0.82: QG1 VAL 58 + HB3 SER 59 OK 31 70 - 45 - 4.2/6964=24, ~9408=12...(4) QD1 ILE 8 + HB3 SER 59 OK 31 98 - 32 - 9420/4.6=9, 10726/3.0=9...(5) QD2 LEU 14 + HB3 SER 59 OK 27 99 - 27 - ~9408=7, 9420/4.6=6...(6) QD1 ILE 56 + HB3 SER 59 OK 19 99 - 19 - 9420/4.6=5, 321/4.0=4...(5) QG2 VAL 78 + HB3 SER 59 OK 17 65 - 25 - ~11102=18, 10726/3.0=5 HG13 ILE 56 + HB3 SER 59 OK 14 90 - 15 - 10726/3.0=3, 9420/4.6=3...(5) QD1 ILE 52 + HB3 SER 59 OK 13 94 - 14 - 9420/4.6=5, 10726/3.0=2 QD1 LEU 42 - HB3 SER 59 poor 8 77 - 11 - 9420/4.6=3, 9408/1.8=2 QD2 LEU 6 - HB3 SER 59 lone 6 70 - 8 - 9420/4.6=2, 9408/1.8=1 Peak 9423 from cnoeabs.peaks (2.52, 2.89, 40.34 ppm; 4.42 A): 6 out of 8 assignments used, quality = 0.88: HG3 GLU 63 + HB2 ASN 60 OK 49 100 - 49 - 9466/3.5=20, 9430/3.5=9...(9) HB2 ASP 61 + HB2 ASN 60 OK 48 97 - 49 - 4.0/2701=25, 4.4/9437=13...(6) HG3 GLU 95 + HB2 ASN 60 OK 19 94 - 21 - 9411/4.0=6, ~4284=5...(5) HB3 ASP 36 + HB2 ASN 60 OK 19 92 - 21 - 2714/4.4=4, ~9424=4...(7) HB2 ASP 36 + HB2 ASN 60 OK 19 90 - 21 - 6997/4.4=4, ~9424=4...(7) HG2 MET 74 + HB2 ASN 60 OK 14 90 - 15 - 3.4/10869=4, 9411/4.0=3...(4) HB3 ASP 87 - HB2 ASN 60 lone 2 61 - 3 - HB2 ASP 87 - HB2 ASN 60 lone 2 61 - 3 - Peak 9424 from cnoeabs.peaks (2.50, 3.06, 40.34 ppm; 4.63 A): 4 out of 8 assignments used, quality = 0.81: HB2 ASP 61 + HB3 ASN 60 OK 50 98 - 51 - 4.0/2708=29, 4.4/9438=15...(6) HG3 GLU 63 + HB3 ASN 60 OK 39 87 - 45 - 9466/3.5=17, 9423/1.8=8...(8) HB3 ASP 36 + HB3 ASN 60 OK 21 100 - 21 - 8799/4.4=5, ~9423=3...(8) HB2 ASP 36 + HB3 ASN 60 OK 21 100 - 21 - 8799/4.4=5, ~9423=3...(7) HB3 ASP 87 - HB3 ASN 60 lone 3 98 - 3 - HB2 ASP 87 - HB3 ASN 60 lone 3 98 - 3 - HG3 GLU 23 - HB3 ASN 60 lone 2 84 - 2 - HD2 ARG 91 - HB3 ASN 60 lone 1 70 - 1 - Peak 9437 from cnoeabs.peaks (8.40, 2.89, 40.34 ppm; 4.72 A): 3 out of 3 assignments used, quality = 0.90: H GLU 62 + HB2 ASN 60 OK 80 100 - 80 - 7001/4.4=30, 9453=26...(11) H GLU 63 + HB2 ASN 60 OK 35 61 - 57 - 4.5/9453=14, 9440/3.5=11...(10) H THR 80 + HB2 ASN 60 OK 22 84 - 26 - 9438/1.8=7, 6999/4.4=5...(7) Peak 9438 from cnoeabs.peaks (8.40, 3.06, 40.34 ppm; 4.57 A): 3 out of 3 assignments used, quality = 0.87: H GLU 62 + HB3 ASN 60 OK 76 100 - 77 - 7001/4.4=28, 9453/1.8=23...(8) H GLU 63 + HB3 ASN 60 OK 33 65 - 51 - 4.5/9454=12, 9440/3.5=10...(8) H THR 80 + HB3 ASN 60 OK 20 81 - 24 - 9437/1.8=6, 6999/4.4=5...(6) Peak 9441 from cnoeabs.peaks (7.72, 4.37, 57.35 ppm; 3.90 A): 4 out of 4 assignments used, quality = 0.87: H LEU 64 + HA ASP 61 OK 75 100 - 75 - 9470=24, 7027/3.6=23...(13) H ASN 60 + HA ASP 61 OK 30 92 - 33 - ~6991=12, 9435/3.6=10...(4) H ALA 25 + HA ASP 61 OK 17 92 - 19 - 4.6/6414=4, 2.9/9446=3...(6) H SER 49 + HA ASP 61 OK 11 99 - 11 - 7011/3.6=2, 6990/3.0=2...(4) Peak 9445 from cnoeabs.peaks (1.47, 4.37, 57.35 ppm; 3.51 A): 3 out of 16 assignments used, quality = 0.86: HG LEU 64 + HA ASP 61 OK 60 96 - 62 - 2.1/9447=16, 3.0/9449=15...(16) HB3 LEU 64 + HA ASP 61 OK 41 65 - 63 - 1.8/9449=21, 3.1/9447=13...(16) HD2 LYS 82 + HA ASP 61 OK 40 84 - 47 - ~9443=10, ~10931=9...(15) HG LEU 38 - HA ASP 61 lone 6 84 - 8 - 2.1/9447=3, ~9452=1 HD3 LYS 40 - HA ASP 61 lone 5 97 - 5 - HB2 LEU 27 - HA ASP 61 lone 5 77 - 7 - 4.0/6434=3, 1.8/9446=2 HD2 LYS 40 - HA ASP 61 lone 5 96 - 5 - HB2 LEU 38 - HA ASP 61 lone 5 70 - 7 - 3.1/9447=3, ~9452=1 HG13 ILE 52 - HA ASP 61 lone 3 77 - 4 - 2.1/9448=2 HG2 LYS 66 - HA ASP 61 lone 3 61 - 5 - HG3 LYS 53 - HA ASP 61 lone 2 99 - 2 - HD2 LYS 53 - HA ASP 61 lone 2 84 - 2 - HG2 LYS 53 - HA ASP 61 lone 2 94 - 2 - HB2 ARG 91 - HA ASP 61 lone 1 81 - 1 - HG2 LYS 20 - HA ASP 61 lone 1 77 - 1 - HG2 LYS 47 - HA ASP 61 lone 1 61 - 1 - Peak 9446 from cnoeabs.peaks (1.33, 4.37, 57.35 ppm; 5.21 A): 4 out of 10 assignments used, quality = 0.76: HB2 LYS 82 + HA ASP 61 OK 57 94 - 61 - 3.5/9767=12, 3.5/9445=9...(14) QB ALA 25 + HA ASP 61 OK 24 99 - 25 - 3.6/6414=7, 2.9/9441=6...(7) HB3 LEU 27 + HA ASP 61 OK 16 92 - 17 - 4.0/6434=5, 1.8/9445=1 HG LEU 14 + HA ASP 61 OK 11 73 - 15 - 2.1/9448=7, 9378/9448=1 HG2 LYS 39 - HA ASP 61 lone 9 90 - 10 - QB ALA 67 - HA ASP 61 lone 7 100 - 7 - QB ALA 89 - HA ASP 61 lone 7 99 - 7 - 9938/9470=1 HG2 LYS 94 - HA ASP 61 lone 7 99 - 7 - 12255/3.0=1, ~12257=1 HG3 LYS 68 - HA ASP 61 lone 5 77 - 7 - HB3 LEU 2 - HA ASP 61 lone 5 100 - 5 - Peak 9447 from cnoeabs.peaks (0.84, 4.37, 57.35 ppm; 4.30 A): 1 out of 6 assignments used, quality = 0.49: QD2 LEU 64 + HA ASP 61 OK 49 70 - 70 - 3.1/9449=21, 2.1/9445=14...(16) QD1 LEU 38 - HA ASP 61 poor 9 77 - 12 - 9452/3.0=2, 2.1/9445=2 QD1 LEU 103 - HA ASP 61 poor 6 61 - 10 - 9452/3.0=2, 7039/9441=1 QD2 LEU 103 - HA ASP 61 lone 4 61 - 6 - ~9452=2 QD1 LEU 57 - HA ASP 61 lone 4 65 - 5 - 9736/7314=1 QG2 VAL 32 - HA ASP 61 lone 2 81 - 2 - Peak 9448 from cnoeabs.peaks (0.68, 4.37, 57.35 ppm; 4.89 A): 4 out of 5 assignments used, quality = 0.57: QG2 VAL 58 + HA ASP 61 OK 39 97 - 40 - 9387=17, 9467/9441=5...(11) QD1 LEU 14 + HA ASP 61 OK 13 99 - 13 - 9474/9449=3, 2.1/9446=3...(4) QD1 LEU 42 + HA ASP 61 OK 11 98 - 11 - 10740/3.6=3...(4) QD1 ILE 52 + HA ASP 61 OK 10 87 - 12 - 10740/3.6=3, 9150/9441=1 QD2 LEU 6 - HA ASP 61 lone 8 99 - 8 - 10740/3.6=2, 9474/9449=1 Peak 9449 from cnoeabs.peaks (2.11, 4.37, 57.35 ppm; 3.43 A): 3 out of 11 assignments used, quality = 0.68: HB2 LEU 64 + HA ASP 61 OK 60 100 - 60 - 3.1/9447=13, 1.8/9481=12...(15) HB2 GLU 69 + HA ASP 61 OK 11 77 - 14 - 4.6/10736=13 HB3 GLU 69 + HA ASP 61 OK 11 77 - 14 - 4.6/10736=13 HB VAL 83 - HA ASP 61 lone 6 100 - 6 - HB2 PRO 86 - HA ASP 61 lone 5 96 - 5 - HB3 PRO 86 - HA ASP 61 lone 4 97 - 4 - HG3 GLU 104 - HA ASP 61 lone 3 81 - 4 - 7007/3.6=1 HG3 GLU 37 - HA ASP 61 lone 2 100 - 2 - QE MET 21 - HA ASP 61 lone 2 84 - 3 - HG2 GLU 69 - HA ASP 61 lone 2 77 - 2 - 3116/10736=1 HB3 GLU 37 - HA ASP 61 lone 2 81 - 2 - Peak 9450 from cnoeabs.peaks (2.09, 2.73, 40.38 ppm; 4.87 A): 3 out of 11 assignments used, quality = 0.74: HB2 LEU 64 + HB3 ASP 61 OK 46 61 - 75 - 3.1/9452=20, ~9481=13...(16) HB3 GLU 62 + HB3 ASP 61 OK 46 99 - 46 - 4.0/2723=27, ~10743=11...(5) HB2 GLU 23 + HB3 ASP 61 OK 11 97 - 11 - 7007/4.4=4, 9442/4.0=1 HG3 GLU 104 - HB3 ASP 61 lone 9 99 - 9 - 7007/4.4=4, 9442/4.0=1 HB3 PRO 86 - HB3 ASP 61 lone 6 90 - 7 - ~9449=1, 9442/4.0=1 HB3 GLU 35 - HB3 ASP 61 lone 5 84 - 5 - 7007/4.4=3 QE MET 21 - HB3 ASP 61 lone 4 99 - 4 - HG3 GLU 37 - HB3 ASP 61 lone 4 73 - 5 - 5.0/10737=1 HB3 GLU 88 - HB3 ASP 61 lone 3 73 - 4 - 7007/4.4=1 HB VAL 83 - HB3 ASP 61 lone 3 61 - 5 - HB2 GLU 16 - HB3 ASP 61 lone 2 65 - 3 - Peak 9451 from cnoeabs.peaks (1.47, 2.73, 40.38 ppm; 5.24 A): 3 out of 16 assignments used, quality = 0.96: HG LEU 64 + HB3 ASP 61 OK 80 96 - 84 - 2.1/9452=27, ~9447=19...(15) HD2 LYS 82 + HB3 ASP 61 OK 56 84 - 67 - 1.8/3711=13, 9445/3.0=10...(14) HB3 LEU 64 + HB3 ASP 61 OK 55 65 - 84 - 3.1/9452=23, ~9449=20...(16) HG LEU 38 - HB3 ASP 61 OK 13 84 - 16 - 2.1/9452=6, ~9447=4...(4) HD3 LYS 40 - HB3 ASP 61 OK 12 97 - 12 - 9445/3.0=1, ~9445=1 HD2 LYS 40 - HB3 ASP 61 OK 11 96 - 12 - 9445/3.0=1, ~9445=1 HB2 LEU 27 - HB3 ASP 61 OK 10 77 - 14 - 4.0/6435=6, ~9446=3, 9445/3.0=1 HB2 LEU 38 - HB3 ASP 61 OK 10 70 - 14 - 3.1/9452=5, ~9447=3...(4) HG13 ILE 52 - HB3 ASP 61 lone 5 77 - 7 - ~9448=3 HG2 LYS 66 - HB3 ASP 61 lone 5 61 - 7 - 9444/4.0=2, 4.8/7066=1 HG3 LYS 53 - HB3 ASP 61 lone 4 99 - 4 - HG2 LYS 53 - HB3 ASP 61 lone 4 94 - 4 - HD2 LYS 53 - HB3 ASP 61 lone 3 84 - 4 - HB2 ARG 91 - HB3 ASP 61 lone 3 81 - 3 - HG2 LYS 20 - HB3 ASP 61 lone 2 77 - 2 - HG2 LYS 47 - HB3 ASP 61 lone 1 61 - 2 - Peak 9452 from cnoeabs.peaks (0.86, 2.73, 40.38 ppm; 5.43 A): 3 out of 3 assignments used, quality = 0.87: QD2 LEU 64 + HB3 ASP 61 OK 82 99 - 83 - 9447/3.0=21, ~9449=15...(19) QD1 LEU 38 + HB3 ASP 61 OK 17 100 - 17 - 9447/3.0=4, 2.1/9451=2...(6) QD1 LEU 103 + HB3 ASP 61 OK 13 97 - 14 - 9447/3.0=3, ~9447=2...(5) Peak 9459 from cnoeabs.peaks (1.48, 3.91, 58.27 ppm; 3.97 A): 6 out of 17 assignments used, quality = 0.93: HG2 LYS 66 + HA GLU 63 OK 58 73 - 79 - 3.0/2771=23, 3.0/2884=19...(28) HG3 LYS 66 + HA GLU 63 OK 51 65 - 79 - 3.0/2771=23, 3.0/2884=19...(27) HG LEU 64 + HA GLU 63 OK 36 99 - 36 - 2826/3.6=13, ~10250=5...(10) HB3 LEU 64 + HA GLU 63 OK 31 77 - 40 - 4.6/10751=12...(11) HD2 LYS 82 + HA GLU 63 OK 11 73 - 16 - ~10932=5, 3.5/2770=2...(6) HG13 ILE 52 + HA GLU 63 OK 11 65 - 16 - 2.1/9460=5, ~9461=2...(5) HG2 LYS 20 - HA GLU 63 lone 3 65 - 5 - 4.9/2769=1 HB2 LEU 27 - HA GLU 63 lone 3 65 - 5 - 4.4/2769=2 HB2 ARG 91 - HA GLU 63 lone 3 90 - 3 - HG2 LYS 47 - HA GLU 63 lone 3 73 - 4 - HG LEU 38 - HA GLU 63 lone 3 73 - 4 - HD3 LYS 40 - HA GLU 63 lone 2 92 - 3 - HG3 LYS 53 - HA GLU 63 lone 2 97 - 2 - HD2 LYS 40 - HA GLU 63 lone 2 90 - 3 - HG2 LYS 73 - HA GLU 63 lone 2 70 - 3 - HG2 LYS 53 - HA GLU 63 lone 2 87 - 2 - HD2 LYS 53 - HA GLU 63 lone 1 73 - 2 - Peak 9460 from cnoeabs.peaks (0.70, 3.91, 58.27 ppm; 4.11 A): 8 out of 8 assignments used, quality = 0.85: QD2 LEU 14 + HA GLU 63 OK 29 90 - 33 - 2.1/10409=6, 10408=6...(11) QD1 ILE 52 + HA GLU 63 OK 27 100 - 27 - 9150/3.6=4, 9462/3.0=4...(7) QD1 ILE 8 + HA GLU 63 OK 23 87 - 27 - 3.0/10745=4, ~10744=3...(9) QD1 ILE 56 + HA GLU 63 OK 23 92 - 25 - 9457/2.9=3, 3.2/2770=3...(8) QD2 LEU 6 + HA GLU 63 OK 18 90 - 20 - 8230/3.8=4, 9462/3.0=4...(5) QD1 LEU 14 + HA GLU 63 OK 17 57 - 31 - 2.1/10408=6, 9467/3.6=6...(9) QD1 LEU 42 + HA GLU 63 OK 16 94 - 17 - 9467/3.6=3, 9462/3.0=3...(6) HG13 ILE 56 + HA GLU 63 OK 15 70 - 21 - 2.9/2770=3, 9457/2.9=2...(7) Peak 9461 from cnoeabs.peaks (0.69, 2.20, 29.93 ppm; 3.93 A): 5 out of 5 assignments used, quality = 0.94: QG2 VAL 58 + HB2 GLU 63 OK 81 92 - 88 - 2.1/10236=25, ~10233=23...(20) QD1 LEU 14 + HB2 GLU 63 OK 32 96 - 33 - 10409/3.0=5, 9467/4.6=5...(12) QD1 ILE 52 + HB2 GLU 63 OK 26 94 - 28 - 9462/1.8=5, 3.1/10744=5...(8) QD2 LEU 6 + HB2 GLU 63 OK 26 100 - 26 - 8230/3.0=6, 9462/1.8=5...(8) QD1 LEU 42 + HB2 GLU 63 OK 19 100 - 19 - 9462/1.8=3, 2.1/10744=2...(7) Peak 9462 from cnoeabs.peaks (0.69, 1.78, 29.93 ppm; 3.70 A): 8 out of 8 assignments used, quality = 0.92: QG2 VAL 58 + HB3 GLU 63 OK 63 73 - 87 - 2.1/10233=30, ~10236=16...(20) QD1 ILE 52 + HB3 GLU 63 OK 25 100 - 25 - 9461/1.8=5, 9460/3.0=4...(7) QD2 LEU 6 + HB3 GLU 63 OK 23 99 - 23 - 8230/3.0=5, 9461/1.8=5...(8) QD1 LEU 14 + HB3 GLU 63 OK 22 81 - 28 - 9461/1.8=6, 9467/4.6=4...(8) QD1 LEU 42 + HB3 GLU 63 OK 16 100 - 16 - 9461/1.8=3, 9460/3.0=2...(5) QD1 ILE 8 + HB3 GLU 63 OK 15 65 - 24 - ~10744=3, 9460/3.0=3...(11) QD2 LEU 14 + HB3 GLU 63 OK 15 70 - 22 - 9460/3.0=4, ~9461=4...(7) QD1 ILE 56 + HB3 GLU 63 OK 15 73 - 20 - 9460/3.0=3, 10424/3.0=1...(10) Peak 9463 from cnoeabs.peaks (0.72, 2.29, 36.00 ppm; 4.22 A): 3 out of 20 assignments used, quality = 0.91: QG1 VAL 58 + HG2 GLU 63 OK 87 100 - 87 - ~10233=19, 10704/1.8=16...(18) HG13 ILE 56 + HG2 GLU 63 OK 18 96 - 18 - 2587/3.0=2, 2.1/10424=2...(9) QD1 ILE 8 + HG2 GLU 63 OK 17 84 - 21 - 3.0/8310=4, ~10744=3...(6) QG1 VAL 58 - HG3 GLU 16 OK 16 98 - 16 - 9382/3.0=3, 2.1/10718=2...(7) QD2 LEU 14 - HG2 GLU 63 OK 16 81 - 20 - ~9461=3, 10408/3.8=3...(7) QG2 VAL 78 - HG2 GLU 63 OK 12 100 - 12 - 2.1/2789=2, 3486/3.0=2...(5) QD1 ILE 56 - HG2 GLU 63 OK 12 77 - 15 - 8308/3.0=2, 9457/4.8=2...(7) QD1 LEU 64 - HG2 GLU 63 OK 11 61 - 18 - 4.5/7033=8, 2.1/10426=3...(5) HG3 ARG 81 - HG2 GLU 63 poor 10 70 - 14 - 1.8/3608=2, 3.9/3581=2...(8) HG3 ARG 81 - HG3 GLU 16 poor 8 65 - 11 - 1.8/3608=2, 3617=1...(5) QD1 ILE 8 - HG3 GLU 16 lone 7 80 - 9 - 3.0/8310=2, 2.1/10426=1...(4) QD2 LEU 14 - HG3 GLU 16 lone 5 76 - 7 - 4.9/724=2 QG1 VAL 5 - HG2 GLU 63 lone 5 99 - 5 - 4.0/6048=2 QD2 LEU 27 - HG2 GLU 63 lone 4 97 - 4 - QD1 LEU 64 - HG3 GLU 16 lone 4 58 - 7 - 4.5/7033=4, 2.1/10426=1 QG1 VAL 5 - HG3 GLU 16 lone 3 97 - 3 - 4.0/6048=1 HG13 ILE 56 - HG3 GLU 16 lone 3 92 - 3 - QD2 LEU 27 - HG3 GLU 16 lone 2 94 - 2 - QD1 ILE 56 - HG3 GLU 16 lone 2 73 - 3 - QG2 VAL 78 - HG3 GLU 16 lone 2 98 - 2 - Peak 9464 from cnoeabs.peaks (6.87, 1.78, 29.93 ppm; 5.76 A): 3 out of 3 assignments used, quality = 0.84: HD21 ASN 60 + HB3 GLU 63 OK 77 100 - 78 - 9466/3.0=33, 9426/3.0=28...(8) HD1 TRP 92 + HB3 GLU 63 OK 21 100 - 20 - 9466/3.0=6, 9465/3.0=4...(6) HE1 TYR 41 + HB3 GLU 63 OK 12 65 - 18 - 6.4/2780=4, 9465/3.0=3...(6) Peak 9465 from cnoeabs.peaks (6.87, 2.29, 36.00 ppm; 5.52 A): 4 out of 10 assignments used, quality = 0.90: HD21 ASN 60 + HG2 GLU 63 OK 83 100 - 83 - 9466/1.8=33, 9426=28...(9) HD21 ASN 60 + HG3 GLU 16 OK 21 98 - 21 - 9426=6, 1.7/9431=4...(7) HD1 TRP 92 + HG2 GLU 63 OK 19 100 - 19 - 9466/1.8=6, 9464/3.0=6...(4) HE1 TYR 41 + HG2 GLU 63 OK 12 77 - 15 - 9464/3.0=3, 6.4/2787=2...(5) HE2 TYR 41 - HG2 GLU 63 poor 8 70 - 12 - 6.4/2787=2, 4.3/8899=2...(4) HE21 GLN 72 - HG3 GLU 16 poor 7 61 - 12 - 4.4/721=2, ~7190=2...(4) HE1 TYR 41 - HG3 GLU 16 lone 5 73 - 7 - 4.3/8899=1 HE2 TYR 41 - HG3 GLU 16 lone 4 65 - 7 - 4.3/8899=1 HD1 TRP 92 - HG3 GLU 16 lone 4 98 - 4 - HE21 GLN 72 - HG2 GLU 63 lone 2 65 - 3 - Peak 9466 from cnoeabs.peaks (6.88, 2.52, 36.00 ppm; 5.10 A): 2 out of 2 assignments used, quality = 0.79: HD21 ASN 60 + HG3 GLU 63 OK 76 97 - 78 - 9426/1.8=27, 9425=21...(10) HD1 TRP 92 + HG3 GLU 63 OK 14 94 - 15 - 9464/3.0=5, 9465/1.8=4 Peak 9471 from cnoeabs.peaks (4.33, 3.75, 58.94 ppm; 5.19 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9472 from cnoeabs.peaks (4.35, 2.11, 41.70 ppm; 3.71 A): 3 out of 3 assignments used, quality = 0.85: HA ASP 61 + HB2 LEU 64 OK 56 84 - 67 - 9449=20, 9481/1.8=15...(15) HA ASN 26 + HB2 LEU 64 OK 41 99 - 42 - 9481/1.8=9, 9483/3.1=8...(10) HA ARG 81 + HB2 LEU 64 OK 40 92 - 44 - 9481/1.8=10, 9483/3.1=9...(11) Peak 9473 from cnoeabs.peaks (1.35, 2.11, 41.70 ppm; 5.10 A): 5 out of 13 assignments used, quality = 0.99: HB2 LYS 82 + HB2 LEU 64 OK 72 97 - 74 - 9756/3.1=19, ~9486=15...(18) QB ALA 67 + HB2 LEU 64 OK 65 84 - 77 - 2981/3.0=32, ~7081=22...(13) HG LEU 14 + HB2 LEU 64 OK 55 100 - 55 - 2.1/9474=12, ~9477=10...(14) HG3 LYS 68 + HB2 LEU 64 OK 54 100 - 54 - ~12320=17, 9490/4.6=9...(13) QB ALA 25 + HB2 LEU 64 OK 53 90 - 59 - 2.9/2810=10, ~2818=8...(15) HB3 LEU 27 - HB2 LEU 64 OK 31 98 - 32 - 10758/1.8=3, 9469/3.9=3...(13) HG2 LYS 39 - HB2 LEU 64 OK 26 99 - 26 - 10252/3.1=3, ~10242=3...(10) QB ALA 89 - HB2 LEU 64 OK 23 90 - 26 - 9938/3.9=5, 2.1/10974=4...(8) HG2 LYS 94 - HB2 LEU 64 OK 22 90 - 24 - 12252=3, 3.0/12250=2...(11) HG3 LYS 40 - HB2 LEU 64 OK 13 94 - 14 - 10758/1.8=1, ~10940=1 HB2 LEU 70 - HB2 LEU 64 lone 6 61 - 10 - 1.8/10275=2, ~10813=2 HG12 ILE 8 - HB2 LEU 64 lone 6 84 - 7 - 9490/4.6=2, 9469/3.9=1 HB3 LEU 2 - HB2 LEU 64 lone 5 70 - 7 - 10254/3.1=1 Peak 9474 from cnoeabs.peaks (0.69, 2.11, 41.70 ppm; 3.89 A): 5 out of 5 assignments used, quality = 0.88: QG2 VAL 58 + HB2 LEU 64 OK 68 92 - 74 - 9388/3.0=27, 9477/1.8=19...(13) QD1 LEU 14 + HB2 LEU 64 OK 38 96 - 40 - 9477/1.8=10, 9475/3.0=6...(12) QD1 LEU 42 + HB2 LEU 64 OK 17 100 - 17 - 9477/1.8=5, 9467/3.9=3...(5) QD2 LEU 6 + HB2 LEU 64 OK 17 100 - 17 - 9477/1.8=5, ~10231=3...(5) QD1 ILE 52 + HB2 LEU 64 OK 11 94 - 12 - 9150/3.9=3, 9477/1.8=3 Peak 9475 from cnoeabs.peaks (0.67, 3.75, 58.94 ppm; 3.23 A): 2 out of 5 assignments used, quality = 0.80: QG2 VAL 58 + HA LEU 64 OK 72 100 - 72 - 2.1/9385=27, 9388=25...(14) QD1 LEU 14 + HA LEU 64 OK 27 99 - 27 - 9467/3.0=4, 9477/3.0=4...(12) QD2 LEU 6 - HA LEU 64 lone 6 84 - 7 - 9467/3.0=2, 9477/3.0=2 QD1 LEU 42 - HA LEU 64 lone 6 77 - 8 - 9467/3.0=2, 9477/3.0=2 QG2 VAL 54 - HA LEU 64 lone 1 61 - 2 - Peak 9476 from cnoeabs.peaks (0.97, 3.75, 58.94 ppm; 3.79 A): 3 out of 3 assignments used, quality = 0.79: QG2 THR 80 + HA LEU 64 OK 58 97 - 60 - 10762/4.0=16...(12) QG2 VAL 83 + HA LEU 64 OK 39 92 - 43 - 2.1/2802=7, 10760/3.0=6...(16) HG LEU 55 + HA LEU 64 OK 16 94 - 17 - 10760/3.0=2, 9529/7099=2...(9) Peak 9477 from cnoeabs.peaks (0.69, 1.49, 41.70 ppm; 3.56 A): 4 out of 5 assignments used, quality = 0.80: QG2 VAL 58 + HB3 LEU 64 OK 60 92 - 65 - 9388/3.0=23, 9474/1.8=14...(13) QD1 LEU 14 + HB3 LEU 64 OK 32 96 - 33 - 9474/1.8=8, 9475/3.0=5...(10) QD1 LEU 42 + HB3 LEU 64 OK 14 100 - 14 - 9474/1.8=4, 9467/3.9=2...(4) QD2 LEU 6 + HB3 LEU 64 OK 14 100 - 14 - 9474/1.8=4, 9467/3.9=2...(4) QD1 ILE 52 - HB3 LEU 64 lone 9 94 - 10 - 9150/3.9=3, 9474/1.8=2 Peak 9478 from cnoeabs.peaks (2.72, 0.86, 25.46 ppm; 4.93 A): 3 out of 8 assignments used, quality = 0.96: HB3 ASP 61 + QD2 LEU 64 OK 75 96 - 79 - 9452=25, 3.0/9447=13...(15) HB2 ASP 65 + QD2 LEU 64 OK 69 92 - 75 - 7055/4.9=27, 3.0/9503=23...(10) HE2 LYS 82 + QD2 LEU 64 OK 44 81 - 55 - 4.8/9756=13...(10) HB2 ASN 26 - QD2 LEU 64 OK 42 87 - 49 - 3.0/9480=11, ~9483=9...(10) HB2 ASP 65 - QD1 LEU 103 OK 20 48 - 42 - 3.0/9503=11, 4.0/7052=10...(10) HE2 LYS 82 - QD1 LEU 103 OK 15 40 - 36 - 12331=7, 4.8/9756=6...(10) HB3 ASP 61 - QD1 LEU 103 poor 7 52 - 13 - 9452=4, 3.0/9447=2...(4) HB2 ASN 26 - QD1 LEU 103 lone 2 44 - 5 - 3.0/9480=1 Peak 9479 from cnoeabs.peaks (2.88, 0.86, 25.46 ppm; 3.87 A): 3 out of 8 assignments used, quality = 0.60: HE2 LYS 66 + QD2 LEU 64 OK 29 77 - 38 - 9485/2.1=9, ~9484=5...(17) HE3 LYS 39 + QD2 LEU 64 OK 25 100 - 25 - 9485/2.1=6, ~9485=4...(9) HE2 LYS 39 + QD2 LEU 64 OK 24 94 - 26 - 9485/2.1=6, ~9485=5...(9) HB2 ASN 60 - QD2 LEU 64 poor 9 87 - 10 - 9485/2.1=4, 2695/4.5=2 HE3 LYS 39 - QD1 LEU 103 lone 5 57 - 8 - 7.2/6602=2, 10564/3.9=1 HE2 LYS 39 - QD1 LEU 103 lone 4 50 - 9 - 7.2/6602=2, 10564/3.9=2 HE2 LYS 66 - QD1 LEU 103 lone 2 38 - 5 - HB2 ASN 60 - QD1 LEU 103 lone 1 44 - 2 - Peak 9480 from cnoeabs.peaks (4.35, 0.86, 25.46 ppm; 3.75 A): 3 out of 6 assignments used, quality = 0.88: HA ARG 81 + QD2 LEU 64 OK 54 92 - 59 - 3.6/10247=16...(14) HA ASP 61 + QD2 LEU 64 OK 51 84 - 62 - 9449/3.1=12, 9481/3.1=11...(13) HA ASN 26 + QD2 LEU 64 OK 46 99 - 46 - 9483/2.1=11, 9472/3.1=8...(13) HA ARG 81 - QD1 LEU 103 poor 10 48 - 20 - 3.6/10939=5, 9745/2.1=2...(6) HA ASP 61 - QD1 LEU 103 poor 5 42 - 12 - 3.0/9452=2, 9449/2815=1...(6) HA ASN 26 - QD1 LEU 103 lone 4 56 - 7 - Peak 9481 from cnoeabs.peaks (4.36, 1.49, 41.70 ppm; 3.87 A): 3 out of 3 assignments used, quality = 0.91: HA ASP 61 + HB3 LEU 64 OK 70 97 - 73 - 9449/1.8=22, 9447/3.1=15...(17) HA ARG 81 + HB3 LEU 64 OK 46 99 - 46 - 9472/1.8=11, 9480/3.1=9...(11) HA ASN 26 + HB3 LEU 64 OK 43 100 - 43 - 9472/1.8=11, 10477/3.9=8...(9) Peak 9482 from cnoeabs.peaks (4.35, 1.48, 27.00 ppm; 4.40 A): 3 out of 3 assignments used, quality = 0.92: HA ASP 61 + HG LEU 64 OK 64 84 - 77 - 9447/2.1=18, 9449/3.0=16...(15) HA ARG 81 + HG LEU 64 OK 54 92 - 59 - 9483/2.1=15, 9480/2.1=14...(11) HA ASN 26 + HG LEU 64 OK 53 99 - 54 - 9483/2.1=14, 9480/2.1=12...(10) Peak 9483 from cnoeabs.peaks (4.35, 0.74, 24.36 ppm; 3.89 A): 3 out of 3 assignments used, quality = 0.81: HA ARG 81 + QD1 LEU 64 OK 46 73 - 63 - 3.0/10248=16...(15) HA ASN 26 + QD1 LEU 64 OK 44 90 - 49 - 9480/2.1=9, 9482/2.1=9...(12) HA ASP 61 + QD1 LEU 64 OK 37 61 - 61 - 9472/3.1=12, 9480/2.1=11...(15) Peak 9484 from cnoeabs.peaks (2.90, 0.74, 24.36 ppm; 4.49 A): 6 out of 9 assignments used, quality = 0.91: HE3 LYS 66 + QD1 LEU 64 OK 49 100 - 50 - ~9479=9, ~9485=9...(20) HE2 LYS 66 + QD1 LEU 64 OK 40 97 - 42 - 4.7/10255=6, 3.6/2845=4...(22) HE3 LYS 68 + QD1 LEU 64 OK 39 98 - 40 - 3.0/10243=7, 3.0/10243=7...(10) HE2 LYS 68 + QD1 LEU 64 OK 38 96 - 40 - 3.0/10243=7, 3.0/10243=7...(10) HE3 LYS 94 + QD1 LEU 64 OK 14 94 - 14 - 3.0/11010=2, 3.9/10254=2...(6) HB2 ASN 60 + QD1 LEU 64 OK 13 92 - 14 - 2695/4.5=4, 4.0/2842=3...(4) HE2 LYS 94 - QD1 LEU 64 poor 9 65 - 13 - 3.0/11010=2, 3.9/10254=2...(5) HE2 LYS 20 - QD1 LEU 64 lone 4 92 - 4 - HE3 LYS 20 - QD1 LEU 64 lone 3 90 - 4 - Peak 9485 from cnoeabs.peaks (2.88, 1.48, 27.00 ppm; 4.69 A): 4 out of 4 assignments used, quality = 0.71: HE2 LYS 66 + HG LEU 64 OK 38 77 - 49 - 9479/2.1=13, ~9484=7...(24) HE3 LYS 39 + HG LEU 64 OK 26 100 - 26 - 9479/2.1=11, ~9479=8...(5) HE2 LYS 39 + HG LEU 64 OK 24 94 - 26 - 9479/2.1=11, ~9479=8...(5) HB2 ASN 60 + HG LEU 64 OK 18 87 - 21 - 4.4/9444=8, 9479/2.1=4...(4) Peak 9486 from cnoeabs.peaks (4.70, 0.74, 24.36 ppm; 4.51 A): 2 out of 2 assignments used, quality = 0.82: HA LYS 82 + QD1 LEU 64 OK 76 99 - 77 - 3.0/10248=19, ~10247=17...(20) HA ARG 79 + QD1 LEU 64 OK 26 73 - 36 - 3.6/10754=13, 3.0/7287=6...(10) Peak 9487 from cnoeabs.peaks (8.19, 2.71, 40.20 ppm; 5.60 A): 3 out of 3 assignments used, quality = 0.88: H LYS 68 + HB2 ASP 65 OK 79 100 - 79 - 2855/3.0=34, 4.6/9523=26...(8) H ASP 36 + HB2 ASP 65 OK 27 100 - 27 - 2855/3.0=8, 7078/4.6=7...(6) H GLU 43 + HB2 ASP 65 OK 24 96 - 25 - 2855/3.0=6, 7078/4.6=6...(5) Peak 9488 from cnoeabs.peaks (8.18, 2.64, 40.20 ppm; 5.76 A): 5 out of 6 assignments used, quality = 0.91: H LYS 68 + HB3 ASP 65 OK 77 97 - 80 - 2855/3.0=32, 9487/1.8=25...(11) H ASP 36 + HB3 ASP 65 OK 29 98 - 29 - 9487/1.8=9, 2855/3.0=7...(5) H GLU 43 + HB3 ASP 65 OK 25 81 - 31 - 9487/1.8=8, 7078/4.6=6...(7) H LYS 68 + HB3 ASP 77 OK 17 81 - 22 - 2855/2853=3, 7078/7067=2...(7) H GLU 43 + HB3 ASP 77 OK 11 63 - 18 - 4.6/8919=5, 4.6/6669=5 H ASP 36 - HB3 ASP 77 poor 9 82 - 11 - 6565/4.4=2, 4.6/3471=2 Peak 9493 from cnoeabs.peaks (1.85, 2.64, 40.20 ppm; 4.70 A): 4 out of 20 assignments used, quality = 0.94: HB2 LYS 68 + HB3 ASP 65 OK 59 81 - 73 - 2856/3.0=20, ~9500=14...(12) HB3 LYS 66 + HB3 ASP 65 OK 56 94 - 60 - 4.0/7067=24...(7) HB3 LYS 68 + HB3 ASP 65 OK 45 61 - 73 - ~2856=22, ~2997=14...(13) HB2 LYS 53 + HB3 ASP 77 OK 42 72 - 58 - 3.0/9678=19...(9) HB2 LYS 53 - HB3 ASP 65 OK 24 90 - 27 - 3.0/9678=7, 9498/1.8=5...(8) HB3 LYS 39 - HB3 ASP 65 OK 12 92 - 13 - 3.6/9494=2, 7070/4.6=2...(7) HB3 GLU 104 - HB3 ASP 65 OK 12 65 - 18 - 3.0/2864=7, ~2858=5...(6) HB3 LYS 66 - HB3 ASP 77 OK 11 77 - 15 - 4.0/7067=6, 3.0/10612=2...(4) HB2 LYS 12 - HB3 ASP 65 OK 11 87 - 13 - 7070/4.6=4, ~2857=2...(5) HB3 LYS 12 - HB3 ASP 65 poor 10 81 - 12 - 7070/4.6=3, ~2857=2...(5) HB2 LYS 68 - HB3 ASP 77 poor 9 63 - 14 - 10892/1.8=3, 4.0/9488=2...(5) HB VAL 5 - HB3 ASP 77 poor 9 77 - 12 - ~8181=5, ~10902=2...(4) HB VAL 5 - HB3 ASP 65 lone 8 94 - 9 - 7070/4.6=2, ~9499=1...(4) HB3 LYS 68 - HB3 ASP 77 poor 5 47 - 12 - ~10892=3, 4.0/9488=2...(4) HB3 LYS 90 - HB3 ASP 65 lone 5 65 - 8 - 2856/3.0=2, 9498/1.8=1 HB3 LYS 39 - HB3 ASP 77 lone 5 74 - 6 - ~9674=2, 3.6/9494=1 HB3 LYS 90 - HB3 ASP 77 lone 3 50 - 5 - 10892/1.8=1, 2384/9678=1 HB2 LYS 12 - HB3 ASP 77 lone 2 69 - 3 - HB3 LYS 12 - HB3 ASP 77 lone 2 63 - 3 - HB3 GLU 104 - HB3 ASP 77 lone 1 50 - 3 - Peak 9494 from cnoeabs.peaks (1.63, 2.64, 40.20 ppm; 5.21 A): 5 out of 14 assignments used, quality = 0.88: HG2 LYS 68 + HB3 ASP 65 OK 67 84 - 80 - 9500/3.0=30, ~2856=20...(14) HB ILE 76 + HB3 ASP 77 OK 44 60 - 73 - 4.4/7270=26...(12) HD3 LYS 39 + HB3 ASP 65 OK 16 87 - 18 - 9500/3.0=7, ~9502=2...(6) HG2 LYS 68 + HB3 ASP 77 OK 11 66 - 17 - ~10892=3, 9500/2853=3...(6) HB ILE 76 + HB3 ASP 65 OK 11 77 - 14 - 4.4/7270=6, 3.0/10770=3 HD2 LYS 94 - HB3 ASP 65 poor 10 99 - 10 - 9500/3.0=5, ~9502=1 HD3 LYS 39 - HB3 ASP 77 poor 9 69 - 13 - 7263/3.9=3, ~10893=2...(4) HB3 LEU 6 - HB3 ASP 65 lone 6 61 - 9 - 3.1/8229=3, 3.1/8227=2 HB2 LYS 40 - HB3 ASP 65 lone 5 70 - 8 - 4.3/6656=3 HB3 LEU 6 - HB3 ASP 77 poor 5 47 - 11 - 3.1/8227=3, 3.1/8229=3 HG3 LYS 47 - HB3 ASP 65 lone 5 97 - 5 - 9500/3.0=2 HB2 LYS 40 - HB3 ASP 77 lone 4 54 - 8 - 4.3/6656=3, 7263/3.9=1 HD2 LYS 94 - HB3 ASP 77 lone 3 83 - 3 - HG3 LYS 47 - HB3 ASP 77 lone 2 81 - 2 - Peak 9495 from cnoeabs.peaks (1.46, 2.64, 40.20 ppm; 3.95 A): 11 out of 28 assignments used, quality = 0.91: HG2 LYS 53 + HB3 ASP 77 OK 41 85 - 48 - 3.9/9678=11...(9) HG3 LYS 53 + HB3 ASP 77 OK 37 79 - 47 - 3.9/9678=11, 12124/1.8=9...(9) HD2 LYS 53 + HB3 ASP 77 OK 27 86 - 31 - 5.3/9678=8, ~12124=6...(8) HG LEU 38 + HB3 ASP 77 OK 18 86 - 21 - ~10894=6, 2.1/10548=6...(5) HB2 LEU 38 + HB3 ASP 77 OK 17 83 - 20 - ~10894=5, 3.1/10548=5...(6) HG2 LYS 53 + HB3 ASP 65 OK 16 100 - 16 - 3.9/9678=4, ~9498=2...(6) HG3 LYS 53 + HB3 ASP 65 OK 14 96 - 15 - 3.9/9678=4, ~9498=2...(6) HB2 LEU 27 + HB3 ASP 65 OK 12 100 - 12 - 4.4/2869=3, 1195/4.6=3...(6) HG LEU 38 + HB3 ASP 65 OK 11 100 - 10 - 2.1/10548=4, 3.7/1625=2, ~9503=2 HB2 LEU 38 + HB3 ASP 65 OK 10 99 - 10 - 3.1/10548=4, 3.0/1625=2, ~9503=2 HD2 LYS 53 + HB3 ASP 65 OK 10 100 - 10 - 5.3/9678=3, 3.0/12123=2...(4) HG3 LYS 39 - HB3 ASP 65 poor 7 61 - 12 - ~9500=2, 3.0/9494=2...(6) HG2 LYS 20 - HB3 ASP 77 lone 5 85 - 6 - 12122/1.8=2 HG2 LYS 20 - HB3 ASP 65 lone 5 100 - 5 - 882/4.6=2 HG2 LYS 12 - HB3 ASP 65 lone 4 77 - 5 - ~2857=1 HG13 ILE 52 - HB3 ASP 77 lone 4 85 - 5 - ~10893=1 HD2 LYS 40 - HB3 ASP 65 lone 3 99 - 3 - HD3 LYS 40 - HB3 ASP 65 lone 3 99 - 3 - HB2 LEU 27 - HB3 ASP 77 lone 3 85 - 3 - HD2 LYS 40 - HB3 ASP 77 lone 3 85 - 3 - HD3 LYS 40 - HB3 ASP 77 lone 3 83 - 3 - HG3 LYS 39 - HB3 ASP 77 lone 2 47 - 5 - ~10893=1 HD2 LYS 82 - HB3 ASP 65 lone 2 100 - 2 - HD2 LYS 82 - HB3 ASP 77 lone 2 86 - 3 - HG13 ILE 52 - HB3 ASP 65 lone 2 100 - 2 - HG3 ARG 91 - HB3 ASP 77 lone 2 79 - 3 - HG3 ARG 91 - HB3 ASP 65 lone 1 96 - 1 - HG2 LYS 12 - HB3 ASP 77 lone 1 60 - 2 - Peak 9496 from cnoeabs.peaks (0.86, 2.64, 40.20 ppm; 4.92 A): 5 out of 6 assignments used, quality = 0.95: QD2 LEU 64 + HB3 ASP 65 OK 76 99 - 77 - ~10757=24, 9503/3.0=23...(11) QD1 LEU 103 + HB3 ASP 65 OK 39 97 - 41 - 9503/3.0=11, 7052/4.0=10...(10) QD1 LEU 38 + HB3 ASP 77 OK 34 85 - 40 - 10894/1.8=14, 10548=11...(9) QD2 LEU 64 + HB3 ASP 77 OK 31 83 - 38 - 10894/1.8=14, 4.9/7056=6...(9) QD1 LEU 38 + HB3 ASP 65 OK 29 100 - 29 - 10548=9, 7052/4.0=6...(6) QD1 LEU 103 - HB3 ASP 77 poor 9 81 - 11 - 10894/1.8=4, 7052/7056=1 Peak 9497 from cnoeabs.peaks (0.73, 2.64, 40.20 ppm; 5.25 A): 4 out of 20 assignments used, quality = 0.95: QD1 LEU 64 + HB3 ASP 65 OK 75 92 - 81 - ~10757=27, 4.9/7056=25...(12) QG2 VAL 78 + HB3 ASP 77 OK 53 74 - 71 - 10902/3.0=31...(8) QG1 VAL 78 + HB3 ASP 77 OK 45 63 - 71 - ~10902=25, 4.0/7276=22...(9) QD1 LEU 64 + HB3 ASP 77 OK 30 74 - 41 - ~10894=12, 4.9/7056=7...(9) QD2 LEU 27 - HB3 ASP 65 OK 25 100 - 25 - 1219/4.6=5, 4.7/2869=5...(7) QG1 VAL 78 - HB3 ASP 65 OK 22 81 - 28 - 7053/4.0=7, 4.0/7276=5...(7) QG2 VAL 78 - HB3 ASP 65 OK 20 92 - 22 - 4.0/7276=5, ~9504=4...(7) QG1 VAL 5 - HB3 ASP 77 OK 17 83 - 20 - 8181/3.0=9, 7279/4.4=4...(4) QG1 VAL 5 - HB3 ASP 65 OK 15 99 - 15 - 9507/4.6=2, 9499/1.8=2...(7) QG1 VAL 58 - HB3 ASP 77 OK 12 72 - 17 - 4.2/10771=8, 10895/1.8=3 QG1 VAL 58 - HB3 ASP 65 OK 11 90 - 12 - 9507/4.6=3...(4) HG13 ILE 93 - HB3 ASP 65 poor 9 87 - 11 - 7053/4.0=2, 9504/3.0=2...(4) HG3 ARG 81 - HB3 ASP 65 lone 8 96 - 9 - 7053/4.0=2, 9499/1.8=1 QD2 LEU 27 - HB3 ASP 77 lone 8 86 - 9 - 7279/4.4=1, 10895/1.8=1 QG2 ILE 93 - HB3 ASP 65 lone 6 61 - 10 - 7053/4.0=2, 9504/3.0=2...(4) HG3 ARG 81 - HB3 ASP 77 lone 5 79 - 6 - 7280/4.4=1, ~12215=1 HG13 ILE 56 - HB3 ASP 65 lone 5 70 - 7 - 9507/4.6=3 HG13 ILE 56 - HB3 ASP 77 lone 4 54 - 8 - 7279/4.4=4 HG13 ILE 93 - HB3 ASP 77 lone 4 69 - 6 - QG2 ILE 93 - HB3 ASP 77 lone 3 47 - 6 - Peak 9498 from cnoeabs.peaks (1.85, 2.71, 40.20 ppm; 5.10 A): 3 out of 7 assignments used, quality = 0.92: HB2 LYS 68 + HB2 ASP 65 OK 76 96 - 80 - 2856/3.0=31, ~9500=17...(13) HB3 LYS 66 + HB2 ASP 65 OK 53 77 - 69 - 4.0/7066=38, 4.7/9523=21...(7) HB2 LYS 53 + HB2 ASP 65 OK 25 99 - 25 - ~9678=7, 2856/3.0=6...(7) HB2 LYS 12 - HB2 ASP 65 poor 9 65 - 14 - 7070/4.6=3, ~2857=3...(6) HB3 LYS 39 - HB2 ASP 65 poor 8 73 - 11 - ~9502=2, 7070/4.6=2...(4) HB VAL 5 - HB2 ASP 65 lone 7 77 - 9 - 2.1/9499=2, 7070/4.6=2...(5) HB3 LYS 90 - HB2 ASP 65 lone 7 87 - 8 - 2856/3.0=4, 7107/9487=1 Peak 9499 from cnoeabs.peaks (0.73, 2.71, 40.20 ppm; 6.32 A): 3 out of 10 assignments used, quality = 0.91: QD1 LEU 64 + HB2 ASP 65 OK 84 92 - 91 - 4.9/7055=41...(13) QD2 LEU 27 + HB2 ASP 65 OK 32 100 - 32 - 4.7/2863=8, 1219/4.6=7...(8) QG1 VAL 78 + HB2 ASP 65 OK 21 81 - 27 - 7053/4.0=9, 9504/3.0=5...(8) QG1 VAL 5 - HB2 ASP 65 OK 17 99 - 17 - 9507/4.6=3, 9497/1.8=2...(8) QG2 VAL 78 - HB2 ASP 65 OK 16 92 - 18 - ~9504=6, 9497/1.8=3...(5) HG13 ILE 93 - HB2 ASP 65 OK 12 87 - 14 - 7053/4.0=3, 9504/3.0=2...(5) HG3 ARG 81 - HB2 ASP 65 OK 11 96 - 12 - 7053/4.0=3, 2816/10757=2...(4) QG1 VAL 58 - HB2 ASP 65 OK 10 90 - 12 - 9507/4.6=5, 9520/9523=2...(4) QG2 ILE 93 - HB2 ASP 65 poor 8 61 - 12 - 7053/4.0=3, 9504/3.0=2...(4) HG13 ILE 56 - HB2 ASP 65 poor 7 70 - 10 - 9507/4.6=3, 9520/9523=3 Peak 9500 from cnoeabs.peaks (1.62, 4.31, 57.27 ppm; 3.71 A): 0 out of 4 assignments used, low quality = 0.40: HG2 LYS 68 - HA ASP 65 OK 40 61 - 66 - 2.9/2856=23, 4.6/2855=13...(20) HD3 LYS 39 - HA ASP 65 poor 9 65 - 13 - 3.6/2857=2, 3.0/9502=2...(4) HD2 LYS 94 - HA ASP 65 lone 7 100 - 7 - 3.0/9502=1 HG3 LYS 47 - HA ASP 65 lone 3 100 - 3 - Peak 9501 from cnoeabs.peaks (1.49, 4.31, 57.27 ppm; 4.11 A): 4 out of 11 assignments used, quality = 0.99: HB3 LEU 64 + HA ASP 65 OK 84 99 - 85 - 2825/3.0=19...(21) HG LEU 64 + HA ASP 65 OK 83 99 - 84 - 2.1/9503=21, 2833/3.0=17...(20) HG2 LYS 66 + HA ASP 65 OK 49 98 - 50 - ~10777=12, 7071/3.6=9...(11) HG3 LYS 66 + HA ASP 65 OK 48 96 - 50 - ~10777=12, 7071/3.6=9...(12) HG3 LYS 53 - HA ASP 65 OK 12 70 - 17 - 3.0/2856=5, 5.0/10772=2...(7) HG2 LYS 47 - HA ASP 65 lone 5 98 - 5 - 1.8/9500=2 HG LEU 57 - HA ASP 65 lone 4 73 - 5 - 7072/3.6=1 HG2 LYS 73 - HA ASP 65 lone 3 97 - 3 - HB2 ARG 91 - HA ASP 65 lone 3 100 - 3 - HG3 LYS 13 - HA ASP 65 lone 2 87 - 3 - HG3 LYS 33 - HA ASP 65 lone 1 61 - 1 - Peak 9502 from cnoeabs.peaks (1.34, 4.31, 57.27 ppm; 4.44 A): 2 out of 11 assignments used, quality = 0.95: HG3 LYS 68 + HA ASP 65 OK 82 96 - 86 - 1.8/9500=32, 2.9/2856=30...(20) QB ALA 67 + HA ASP 65 OK 75 99 - 76 - 10785/3.0=24...(15) QB ALA 25 - HA ASP 65 OK 32 100 - 32 - 2.9/12294=20, ~7047=5...(4) HG2 LYS 39 - HA ASP 65 OK 28 99 - 28 - 3.0/9500=6, 3.0/2857=3...(11) HB3 LEU 27 - HA ASP 65 OK 25 100 - 25 - 4.4/6454=7, 1203/3.6=5...(8) HB2 LYS 82 - HA ASP 65 OK 17 100 - 17 - 9756/9503=4, ~10766=3...(5) HG2 LYS 94 - HA ASP 65 OK 16 100 - 16 - 3.0/9500=4, 9505/3.6=2...(4) HG LEU 14 - HA ASP 65 OK 15 94 - 16 - ~9489=5, 9490/3.0=3...(4) QB ALA 89 - HA ASP 65 lone 9 100 - 9 - 9938/12294=2, ~7046=2 HB3 LEU 2 - HA ASP 65 lone 6 96 - 6 - 9505/3.6=2 HG3 LYS 40 - HA ASP 65 lone 4 65 - 6 - Peak 9503 from cnoeabs.peaks (0.86, 4.31, 57.27 ppm; 4.17 A): 3 out of 3 assignments used, quality = 0.92: QD2 LEU 64 + HA ASP 65 OK 85 99 - 86 - 7052/3.0=19...(23) QD1 LEU 103 + HA ASP 65 OK 40 97 - 41 - 7052/3.0=10, 4507=6...(11) QD1 LEU 38 + HA ASP 65 OK 18 100 - 18 - 7052/3.0=5, 10548/3.0=4 Peak 9504 from cnoeabs.peaks (0.74, 4.31, 57.27 ppm; 4.76 A): 2 out of 10 assignments used, quality = 0.95: QD1 LEU 64 + HA ASP 65 OK 93 100 - 93 - 2.1/9503=26...(24) QG1 VAL 78 + HA ASP 65 OK 31 100 - 32 - 10906/9503=8, 7053/3.0=8...(12) QD2 LEU 27 - HA ASP 65 OK 21 81 - 26 - 4.7/6454=7, 1219/3.6=4...(8) QG2 ILE 93 - HA ASP 65 OK 13 97 - 13 - 7053/3.0=3, ~7053=1 HG13 ILE 93 - HA ASP 65 OK 12 100 - 12 - 7053/3.0=3, ~10767=1, ~7053=1 QG1 VAL 5 - HA ASP 65 poor 9 70 - 13 - 2.1/2857=2, 9507/3.6=2...(5) HG3 ARG 81 - HA ASP 65 lone 9 99 - 9 - 7053/3.0=3, 2840/9503=1 QG1 VAL 54 - HA ASP 65 lone 6 65 - 10 - 4.0/10772=4, ~9492=2, 2.1/2857=1 QD1 ILE 15 - HA ASP 65 lone 6 73 - 7 - 8436/3.6=2 HG13 ILE 15 - HA ASP 65 lone 4 90 - 4 - Peak 9508 from cnoeabs.peaks (3.90, 1.49, 24.58 ppm; 4.60 A): 5 out of 16 assignments used, quality = 0.95: HA GLU 63 + HG3 LYS 66 OK 60 73 - 83 - 2771/3.0=16, 2884/3.0=13...(28) HA GLU 63 + HG2 LYS 66 OK 59 71 - 82 - 2771/3.0=16, 2884/3.0=13...(28) HA ARG 91 + HG3 LYS 66 OK 36 92 - 39 - 9509/2.9=4, 4.0/4046=3...(19) HA ARG 91 + HG2 LYS 66 OK 35 90 - 39 - 9509/2.9=4, 4.0/4046=3...(19) HA GLU 35 + HG3 LYS 66 OK 31 90 - 35 - 3.0/12156=4, 9509/2.9=4...(15) HA GLU 35 - HG2 LYS 66 OK 30 88 - 35 - 3.0/12158=4, 9509/2.9=4...(15) HA ALA 89 - HG3 LYS 66 OK 18 100 - 18 - 12228/1.8=3, 9509/2.9=2...(7) HA ALA 89 - HG2 LYS 66 OK 18 99 - 18 - 9509/2.9=2, 12228/1.8=2...(7) HB2 SER 85 - HG3 LYS 66 OK 11 99 - 11 - 9509/2.9=2, 2884/3.0=1...(4) HB2 SER 85 - HG2 LYS 66 OK 11 98 - 11 - 9509/2.9=2, 2884/3.0=1...(4) HA GLU 43 - HG3 LYS 66 lone 7 77 - 9 - 9509/2.9=1 HA GLU 43 - HG2 LYS 66 lone 7 75 - 9 - 9509/2.9=1 HA3 GLY 101 - HG3 LYS 66 lone 3 99 - 3 - HA3 GLY 101 - HG2 LYS 66 lone 3 98 - 3 - HB2 SER 102 - HG3 LYS 66 lone 2 99 - 2 - HB2 SER 102 - HG2 LYS 66 lone 2 98 - 2 - Peak 9509 from cnoeabs.peaks (3.90, 1.60, 27.82 ppm; 5.93 A): 5 out of 8 assignments used, quality = 0.91: HA GLU 63 + HD2 LYS 66 OK 67 77 - 87 - 2771/3.6=20, 2884/3.6=17...(23) HA GLU 35 + HD2 LYS 66 OK 37 87 - 43 - 4.1/12289=8, 4.1/12289=8...(14) HA ARG 91 + HD2 LYS 66 OK 35 90 - 39 - 9508/2.9=5, 9508/2.9=5...(12) HA ALA 89 + HD2 LYS 66 OK 23 100 - 23 - 12228/2.9=4, 12228/2.9=3...(7) HB2 SER 85 + HD2 LYS 66 OK 18 99 - 17 - 9871/1.8=2, ~10956=2...(9) HA GLU 43 - HD2 LYS 66 poor 10 73 - 13 - ~10610=2, 3.7/12289=1 HA3 GLY 101 - HD2 LYS 66 lone 7 98 - 7 - 3.6/10112=1 HB2 SER 102 - HD2 LYS 66 lone 4 99 - 4 - 4.0/10112=1 Peak 9510 from cnoeabs.peaks (3.87, 2.90, 41.80 ppm; 6.13 A): 6 out of 40 assignments used, quality = 0.95: HA LYS 94 + HE3 LYS 68 OK 48 80 - 59 - 3.0/4206=5, ~4206=5...(24) HA LYS 12 + HE3 LYS 66 OK 43 84 - 52 - ~2933=8, ~2944=7...(24) HA ALA 67 + HE3 LYS 66 OK 43 81 - 53 - ~2951=12, ~2940=10...(10) HA LYS 94 + HE2 LYS 68 OK 37 65 - 57 - ~4206=5, 3.0/4206=5...(22) HA LYS 12 + HE2 LYS 66 OK 35 67 - 52 - ~2933=8, ~2944=7...(25) HA LYS 40 + HE3 LYS 68 OK 34 80 - 43 - 1773/3.6=6, 1779/7.2=6...(10) HA ALA 67 - HE2 LYS 66 OK 33 64 - 53 - ~2951=12, ~2940=10...(10) HA LYS 94 - HE3 LYS 66 OK 33 100 - 32 - 4177/2.9=4, ~4204=3...(16) HA LYS 94 - HE2 LYS 66 OK 30 86 - 34 - 4177/2.9=4, ~4204=3...(19) HA LYS 40 - HE2 LYS 68 OK 28 64 - 43 - 1773/3.6=6, 1779/7.2=6...(10) HA ALA 67 - HE3 LYS 68 OK 22 58 - 37 - 7104/7.2=11, 3.0/7093=6...(9) HA ALA 67 - HE2 LYS 68 OK 17 46 - 37 - 7104/7.2=11, 3.0/7093=5...(9) HA LYS 12 - HE3 LYS 68 OK 12 61 - 20 - 7104/7.2=2, 383/5.0=2...(8) HA LYS 12 - HE2 LYS 68 poor 10 48 - 20 - 7104/7.2=2, 383/5.0=2...(8) HA GLU 35 - HE3 LYS 66 poor 9 61 - 15 - 3.0/10530=4, ~10530=2...(5) HA GLU 43 - HE3 LYS 68 poor 8 55 - 15 - ~3043=2, ~3054=2...(5) HA LYS 40 - HE3 LYS 66 lone 7 100 - 7 - HA GLU 35 - HE2 LYS 66 poor 7 47 - 15 - ~10530=3, 3.0/10530=3...(5) HA GLU 43 - HE2 LYS 68 poor 6 43 - 14 - ~3043=2, ~3054=2...(5) HA GLU 43 - HE3 LYS 66 lone 6 77 - 8 - ~10610=1 HA LYS 40 - HE2 LYS 66 lone 6 86 - 7 - HA LEU 38 - HE3 LYS 66 lone 5 98 - 5 - HA GLU 43 - HE2 LYS 66 lone 5 61 - 8 - ~10610=1 HA2 GLY 101 - HE3 LYS 66 lone 5 100 - 5 - HA LEU 38 - HE2 LYS 66 lone 5 83 - 5 - HA LEU 38 - HE3 LYS 68 lone 4 76 - 6 - HA GLU 35 - HE3 LYS 68 lone 4 43 - 10 - 3.6/3076=2, 4.9/10270=2...(4) HA2 GLY 100 - HE3 LYS 68 lone 4 80 - 5 - 11028/5.0=1 HA2 GLY 101 - HE2 LYS 66 lone 4 86 - 4 - HA2 GLY 101 - HE3 LYS 68 lone 4 80 - 5 - HB3 SER 49 - HE3 LYS 68 lone 4 66 - 5 - HA2 GLY 100 - HE3 LYS 66 lone 4 100 - 3 - HA LEU 38 - HE2 LYS 68 lone 3 61 - 5 - HA2 GLY 100 - HE2 LYS 68 lone 3 65 - 5 - 11028/5.0=1 HA GLU 35 - HE2 LYS 68 lone 3 33 - 10 - 3.6/3076=2, 4.9/10270=2...(4) HB3 SER 49 - HE3 LYS 66 lone 3 90 - 3 - HA2 GLY 101 - HE2 LYS 68 lone 3 65 - 5 - HA2 GLY 100 - HE2 LYS 66 lone 3 86 - 3 - HB3 SER 49 - HE2 LYS 68 lone 3 53 - 5 - HB3 SER 49 - HE2 LYS 66 lone 3 72 - 4 - Peak 9511 from cnoeabs.peaks (0.79, 4.08, 58.43 ppm; 3.65 A): 8 out of 16 assignments used, quality = 0.87: QD1 ILE 76 + HA ARG 46 OK 41 70 - 59 - 9639=19, 9630/3.0=10...(15) QG2 ILE 8 + HA LYS 66 OK 25 99 - 25 - 3.0/9512=4, 304/3.0=3...(12) QD2 LEU 57 + HA LYS 66 OK 25 99 - 25 - 9516/3.0=3, 2637/3.7=3...(7) QD2 LEU 70 + HA LYS 66 OK 25 73 - 34 - 4.6/7139=7, 9516/3.0=4...(16) QD1 ILE 76 + HA LYS 66 OK 25 94 - 26 - 9639=9, 9516/3.0=3...(6) QD2 LEU 57 + HA ARG 46 OK 15 78 - 19 - 2636/4.1=4, 9020/5.2=3...(7) QG2 ILE 15 + HA ARG 46 OK 12 45 - 26 - ~652=4, 9028/3.0=3...(10) QG2 ILE 52 + HA ARG 46 OK 10 60 - 17 - ~9151=6, 3.1/9027=4, 9028/3.0=3 QD2 LEU 2 - HA LYS 66 poor 9 70 - 13 - 2.1/9513=2, 9516/3.0=2...(6) QG2 ILE 7 - HA LYS 66 lone 8 97 - 8 - 9516/3.0=1 QG2 ILE 8 - HA ARG 46 poor 8 77 - 10 - 9028/3.0=2, 3.0/9512=1, ~10614=1 QG2 ILE 15 - HA LYS 66 poor 8 65 - 11 - ~8436=1, 9516/3.0=1, 9514/3.0=1 QG2 ILE 7 - HA ARG 46 lone 7 74 - 10 - 9028/3.0=2, 9020/5.2=2...(4) QG2 ILE 52 - HA LYS 66 lone 7 84 - 8 - 3.1/9512=2, 2357/3.6=1 QD2 LEU 70 - HA ARG 46 lone 5 51 - 10 - 4.6/7139=3 QD2 LEU 2 - HA ARG 46 lone 4 48 - 8 - ~10614=1, 2.1/9025=1 Peak 9512 from cnoeabs.peaks (0.70, 4.08, 58.43 ppm; 4.02 A): 6 out of 14 assignments used, quality = 0.74: QD1 ILE 8 + HA LYS 66 OK 24 92 - 26 - 2.1/9513=4, 3.0/9511=4...(10) QD2 LEU 14 + HA LYS 66 OK 23 94 - 25 - 10412/3.0=6, 2.1/8407=4...(8) QD1 ILE 56 + HA LYS 66 OK 23 96 - 24 - 9520/3.6=4, 3.2/2872=3...(11) QD1 ILE 52 + HA ARG 46 OK 19 77 - 25 - 9151/3.0=13, 9171=4...(5) HG13 ILE 56 + HA LYS 66 OK 17 77 - 23 - 9520/3.6=4, 2.9/2872=3...(10) QD1 ILE 52 + HA LYS 66 OK 12 99 - 12 - 2381/3.6=2, 9171=2 QD1 ILE 8 - HA ARG 46 poor 7 68 - 11 - ~10614=2, 2.1/9025=1, 3.0/9511=1 QD1 LEU 42 - HA ARG 46 poor 7 66 - 10 - ~10341=2 QD1 LEU 42 - HA LYS 66 lone 6 90 - 7 - 1935/7139=2, 9536/7119=1 QD2 LEU 14 - HA ARG 46 lone 5 70 - 8 - QD2 LEU 6 - HA LYS 66 lone 4 84 - 5 - QD1 ILE 56 - HA ARG 46 lone 3 72 - 4 - QD2 LEU 6 - HA ARG 46 lone 2 60 - 4 - HG13 ILE 56 - HA ARG 46 lone 2 54 - 3 - Peak 9513 from cnoeabs.peaks (0.87, 4.08, 58.43 ppm; 4.06 A): 5 out of 12 assignments used, quality = 0.76: QD2 LEU 64 + HA LYS 66 OK 47 97 - 49 - 10253/3.0=6, 3.1/2883=5...(18) QG2 ILE 76 + HA ARG 46 OK 28 57 - 50 - 3.2/9639=15, 10614/3.0=7...(14) HG13 ILE 8 + HA LYS 66 OK 17 65 - 26 - 2.1/9512=5, 3.1/9511=3...(11) QG2 ILE 76 + HA LYS 66 OK 15 81 - 18 - 3.2/9639=7, ~9516=2...(5) QD1 LEU 2 + HA LYS 66 OK 12 84 - 14 - ~9506=2, 2.1/9511=2...(6) QD1 LEU 103 - HA LYS 66 lone 9 99 - 9 - ~9506=2 QD1 LEU 2 - HA ARG 46 lone 6 60 - 9 - 10614/3.0=2, 9019/5.2=1 QD2 LEU 64 - HA ARG 46 lone 6 74 - 7 - 4.5/12313=1 QD1 LEU 38 - HA ARG 46 lone 5 70 - 7 - 3.8/10174=1, ~10180=1...(4) HG13 ILE 8 - HA ARG 46 poor 5 45 - 11 - 10614/3.0=2, 2.1/9512=2 QD1 LEU 38 - HA LYS 66 lone 4 94 - 4 - QD1 LEU 103 - HA ARG 46 lone 2 77 - 2 - Peak 9514 from cnoeabs.peaks (0.80, 1.77, 31.73 ppm; 4.64 A): 5 out of 9 assignments used, quality = 0.93: QD2 LEU 70 + HB2 LYS 66 OK 54 99 - 55 - 12319/3.6=9, 9516/1.8=8...(18) QD1 LEU 70 + HB2 LYS 66 OK 46 87 - 53 - 12319/3.6=7, 10782/3.6=6...(20) QD2 LEU 57 + HB2 LYS 66 OK 40 96 - 42 - 9516/1.8=6, 12319/3.6=5...(15) QD1 ILE 76 + HB2 LYS 66 OK 35 100 - 35 - 9639/3.0=9, 9516/1.8=5...(12) QD2 LEU 2 + HB2 LYS 66 OK 24 99 - 24 - 9516/1.8=3, 12319/3.6=3...(10) QG2 ILE 15 - HB2 LYS 66 OK 23 98 - 24 - 9516/1.8=3, 12319/3.6=3...(9) QG2 ILE 8 - HB2 LYS 66 OK 18 70 - 26 - 9516/1.8=4, 4.1/2885=4...(10) QG2 ILE 7 - HB2 LYS 66 OK 16 99 - 16 - 9516/1.8=2, 10745/2884=2...(4) QD2 LEU 38 - HB2 LYS 66 lone 3 61 - 5 - Peak 9515 from cnoeabs.peaks (0.71, 1.77, 31.73 ppm; 5.93 A): 5 out of 9 assignments used, quality = 0.95: QD1 ILE 56 + HB2 LYS 66 OK 50 100 - 50 - 9520/4.7=8, 9512/3.0=6...(17) HG13 ILE 56 + HB2 LYS 66 OK 48 97 - 49 - 9312/4.7=10, 2587=5...(16) QD2 LEU 14 + HB2 LYS 66 OK 45 100 - 45 - 10412/4.0=11, 9512/3.0=7...(10) QD1 ILE 8 + HB2 LYS 66 OK 42 100 - 43 - 9512/3.0=7, 328/4.0=5...(12) QG1 VAL 58 + HB2 LYS 66 OK 36 84 - 43 - 10226/2884=5, 9520/4.7=5...(16) QG2 VAL 78 - HB2 LYS 66 OK 21 81 - 26 - ~10351=3, 4.3/2895=2...(11) QD1 ILE 52 - HB2 LYS 66 OK 16 84 - 19 - 9512/3.0=3, 2381/4.7=3...(5) QG1 VAL 5 - HB2 LYS 66 OK 12 61 - 20 - ~181=3, ~163=2...(7) QD1 LEU 42 - HB2 LYS 66 lone 5 61 - 9 - 9512/3.0=2, 9460/2884=1 Peak 9516 from cnoeabs.peaks (0.80, 1.86, 31.73 ppm; 4.69 A): 8 out of 9 assignments used, quality = 0.94: QD2 LEU 70 + HB3 LYS 66 OK 49 92 - 54 - 12319/3.6=9, 9514/1.8=8...(19) QD2 LEU 57 + HB3 LYS 66 OK 40 100 - 41 - 9514/1.8=6, 12319/3.6=5...(14) QD1 ILE 76 + HB3 LYS 66 OK 34 100 - 34 - 9639/3.0=9, 9514/1.8=5...(13) QD1 LEU 70 + HB3 LYS 66 OK 33 65 - 50 - 9514/1.8=7, 12319/3.6=7...(20) QG2 ILE 8 + HB3 LYS 66 OK 24 90 - 27 - 9511/3.0=4, 4.1/2897=4...(11) QD2 LEU 2 + HB3 LYS 66 OK 20 90 - 22 - 9514/1.8=4, 12319/3.6=3...(11) QG2 ILE 15 + HB3 LYS 66 OK 17 87 - 19 - 9514/1.8=3, 12319/3.6=3...(6) QG2 ILE 7 + HB3 LYS 66 OK 14 100 - 14 - 9514/1.8=2, 10745/2771=2...(4) QG2 ILE 52 - HB3 LYS 66 poor 7 61 - 12 - 4.3/2907=2, ~9027=2...(5) Peak 9517 from cnoeabs.peaks (0.81, 1.49, 24.58 ppm; 3.54 A): 5 out of 20 assignments used, quality = 0.95: QD2 LEU 70 + HG3 LYS 66 OK 49 100 - 49 - 2.1/10959=6, 4.6/10778=6...(22) QD2 LEU 70 + HG2 LYS 66 OK 49 99 - 49 - 2.1/10959=6, 4.6/10778=6...(22) QD1 LEU 70 + HG3 LYS 66 OK 47 98 - 48 - 2.1/10959=6, 4.6/10778=6...(23) QD1 LEU 70 + HG2 LYS 66 OK 46 97 - 48 - 2.1/10959=6, 4.6/10778=6...(23) QD2 LEU 57 + HG3 LYS 66 OK 29 81 - 36 - 2.1/2645=4, 2637=4...(15) QD2 LEU 57 - HG2 LYS 66 OK 28 79 - 36 - 2.1/2645=4, 2637=3...(15) QD1 LEU 57 - HG3 LYS 66 OK 21 65 - 33 - 2.1/2637=4, ~2637=3...(15) QD1 LEU 57 - HG2 LYS 66 OK 21 64 - 32 - 2.1/2637=4, ~2637=3...(15) QD1 ILE 76 - HG3 LYS 66 OK 18 94 - 19 - 9639/3.7=4, 12319/2.9=3...(6) QD1 ILE 76 - HG2 LYS 66 OK 18 92 - 19 - 9639/3.7=4, 12319/2.9=3...(6) QD2 LEU 2 - HG3 LYS 66 OK 14 100 - 14 - 12319/2.9=2, 9514/3.0=2...(5) QD2 LEU 2 - HG2 LYS 66 OK 14 99 - 14 - 12319/2.9=2, 9514/3.0=2...(5) QG2 ILE 15 - HG2 LYS 66 OK 13 99 - 13 - 9514/3.0=2, 12319/2.9=2 QG2 ILE 15 - HG3 LYS 66 OK 13 100 - 12 - 9514/3.0=2, 12319/2.9=2 QG2 ILE 7 - HG3 LYS 66 lone 6 90 - 7 - 9514/3.0=1 QG2 ILE 7 - HG2 LYS 66 lone 6 88 - 7 - 9514/3.0=1 QD2 LEU 103 - HG3 LYS 66 lone 4 70 - 5 - 9506/4.8=1 QD2 LEU 103 - HG2 LYS 66 lone 4 68 - 5 - 9506/4.8=1 QD2 LEU 38 - HG3 LYS 66 lone 3 84 - 4 - QD2 LEU 38 - HG2 LYS 66 lone 3 82 - 4 - Peak 9524 from cnoeabs.peaks (0.82, 3.85, 55.40 ppm; 3.23 A): 6 out of 16 assignments used, quality = 0.77: QG2 VAL 32 + HA ALA 67 OK 34 97 - 35 - 9526/2.1=10, 9519/3.0=7...(9) QD1 LEU 70 + HA ALA 67 OK 27 94 - 29 - 9526/2.1=6, 3.1/2979=5...(9) QD1 LEU 70 + HA ALA 71 OK 21 47 - 46 - 3.1/3141=6, 3.1/2979=5...(17) QD2 LEU 70 + HA ALA 67 OK 19 70 - 27 - 3.1/2979=5, 4.6/2978=5...(8) QD2 LEU 70 + HA ALA 71 OK 14 31 - 44 - 3.1/3141=6, 3.1/2979=5...(17) QD1 LEU 57 + HA ALA 67 OK 13 100 - 13 - 9526/2.1=5, 9519/3.0=3...(4) QD2 LEU 2 - HA ALA 67 poor 7 73 - 10 - 9526/2.1=3, 3.1/2976=1 QG2 ILE 15 - HA ALA 67 lone 7 77 - 10 - 9526/2.1=2, 2.1/644=2...(4) QD2 LEU 103 - HA ALA 67 lone 7 100 - 7 - 9526/2.1=2, 9519/3.0=2 QG2 ILE 15 - HA ALA 71 poor 7 35 - 19 - 2.1/644=3, 10121=3...(6) QD2 LEU 38 - HA ALA 67 lone 5 100 - 5 - 9526/2.1=2 QD1 LEU 57 - HA ALA 71 lone 2 53 - 3 - QG2 VAL 32 - HA ALA 71 lone 2 49 - 3 - QD2 LEU 2 - HA ALA 71 lone 2 33 - 5 - QD2 LEU 38 - HA ALA 71 lone 1 54 - 2 - QD2 LEU 103 - HA ALA 71 lone 1 54 - 1 - Peak 9525 from cnoeabs.peaks (0.72, 3.85, 55.40 ppm; 3.44 A): 9 out of 20 assignments used, quality = 0.93: HG13 ILE 56 + HA ALA 67 OK 55 96 - 58 - ~9528=13, 9527/2.1=9...(16) QD1 ILE 56 + HA ALA 67 OK 42 77 - 55 - ~9528=13, 9527/2.1=9...(14) QG2 VAL 78 + HA ALA 71 OK 36 54 - 66 - 10292/2.1=25, ~9685=17...(9) QD1 ILE 8 + HA ALA 67 OK 16 84 - 19 - 2.1/2979=4, 9527/2.1=3...(7) QG1 VAL 58 + HA ALA 67 OK 15 100 - 15 - 9384/2.1=7, 9520/3.0=3...(4) QG2 VAL 78 + HA ALA 67 OK 13 100 - 14 - 10905/4.8=3, 9531/3.6=2...(4) QD2 LEU 27 + HA ALA 67 OK 12 97 - 12 - 9531/3.6=2, 1215/2.1=2...(5) QG1 VAL 5 + HA ALA 67 OK 11 99 - 11 - 8182/4.8=2, 9531/3.6=2...(5) QD1 LEU 64 + HA ALA 67 OK 10 61 - 17 - 9531/3.6=4, 10254/2.1=2...(8) QD2 LEU 14 - HA ALA 67 poor 9 81 - 11 - 9527/2.1=2, 9520/3.0=2 QD2 LEU 27 - HA ALA 71 poor 9 49 - 17 - 1212/3.0=4, 9558/3.6=2...(8) QG1 VAL 5 - HA ALA 71 poor 6 53 - 11 - 10292/2.1=3, 9550/3.0=2...(5) QD2 LEU 14 - HA ALA 71 poor 4 37 - 11 - 9558/3.6=2, 9550/3.0=2...(4) QD1 ILE 8 - HA ALA 71 lone 3 39 - 8 - 9558/3.6=1, 9550/3.0=1 HG13 ILE 56 - HA ALA 71 lone 3 48 - 6 - QG1 VAL 58 - HA ALA 71 lone 2 54 - 4 - 9558/3.6=2 QD1 ILE 56 - HA ALA 71 lone 2 35 - 5 - HG3 ARG 81 - HA ALA 67 lone 1 70 - 1 - QD1 LEU 64 - HA ALA 71 lone 1 27 - 3 - 2849/3.6=1, 9553/2.1=1 HG3 ARG 81 - HA ALA 71 lone 0 31 - 1 - Peak 9526 from cnoeabs.peaks (0.82, 1.34, 17.79 ppm; 3.10 A): 4 out of 8 assignments used, quality = 0.55: QG2 VAL 32 + QB ALA 67 OK 29 97 - 31 - 9519/2.9=6, 2.1/10336=6...(10) QD1 LEU 70 + QB ALA 67 OK 17 94 - 18 - 9524/2.1=5, ~2979=2...(9) QD1 LEU 57 + QB ALA 67 OK 13 100 - 13 - 9519/2.9=2, 10674/9528=2...(4) QD2 LEU 70 + QB ALA 67 OK 12 70 - 17 - 9524/2.1=3, ~9524=2...(9) QD2 LEU 2 - QB ALA 67 poor 9 73 - 12 - 2.1/71=2, 2.1/87=2, 79=2...(5) QD2 LEU 103 - QB ALA 67 lone 7 100 - 7 - 9519/2.9=2, 9524/2.1=1 QG2 ILE 15 - QB ALA 67 lone 5 77 - 6 - 9524/2.1=1 QD2 LEU 38 - QB ALA 67 lone 4 100 - 4 - Peak 9527 from cnoeabs.peaks (0.71, 1.34, 17.79 ppm; 2.75 A): 5 out of 9 assignments used, quality = 0.81: QD1 ILE 56 + QB ALA 67 OK 46 100 - 46 - 3.0/9528=18, 10681=9...(12) HG13 ILE 56 + QB ALA 67 OK 45 99 - 45 - 3.2/9528=17, 2.9/10783=7...(13) QG1 VAL 58 + QB ALA 67 OK 15 92 - 16 - 9385/2981=5, 9384=4...(4) QD1 ILE 8 + QB ALA 67 OK 13 100 - 13 - 10681=2, 8313/9528=2...(7) QD2 LEU 14 + QB ALA 67 OK 11 100 - 11 - 630=1, 9520/2.9=1 QG2 VAL 78 - QB ALA 67 lone 7 90 - 8 - 10905/4.9=1 QG1 VAL 5 - QB ALA 67 lone 5 73 - 7 - 2.1/10784=1 QD2 LEU 27 - QB ALA 67 lone 5 61 - 8 - QD1 ILE 52 - QB ALA 67 lone 3 73 - 4 - Peak 9528 from cnoeabs.peaks (0.58, 1.34, 17.79 ppm; 3.24 A): 0 out of 1 assignment used, low quality = 0.37: QG2 ILE 56 - QB ALA 67 OK 37 73 - 50 - 2.1/10783=12, 9325=9...(14) Peak 9539 from cnoeabs.peaks (3.85, 1.70, 27.00 ppm; 4.87 A): 4 out of 18 assignments used, quality = 0.97: HA ALA 71 + HG LEU 70 OK 73 92 - 79 - 3141/3.0=12, 3132/3.0=11...(18) HA LYS 94 + HG LEU 70 OK 63 92 - 69 - 4175/3.0=10, 3.0/3157=10...(19) HA ALA 67 + HG LEU 70 OK 49 100 - 50 - 2978/4.9=11, 2979/3.0=10...(11) HA LYS 40 + HG LEU 70 OK 47 94 - 50 - 3132/3.0=6, 3141/3.0=6...(21) HA LYS 12 - HG LEU 70 OK 26 100 - 26 - 392/3.0=5, 3132/3.0=3...(9) HA LEU 38 - HG LEU 70 OK 19 65 - 29 - ~10278=4, 9541/2.1=4...(10) HB3 SER 49 - HG LEU 70 OK 11 100 - 10 - 3141/3.0=2, 3132/3.0=1 HA2 GLY 100 - HG2 PRO 86 poor 9 50 - 18 - ~3846=4, ~3822=4...(6) HA LYS 94 - HG2 PRO 86 poor 8 50 - 17 - 4183/2.3=4, 4183/2.3=3...(5) HA2 GLY 100 - HG LEU 70 lone 8 92 - 9 - 3132/3.0=1 HA2 GLY 101 - HG LEU 70 lone 7 92 - 8 - HA ALA 67 - HG2 PRO 86 poor 7 60 - 11 - 3.0/7091=2, ~9882=2, ~9522=2 HA LYS 40 - HG2 PRO 86 lone 4 52 - 8 - HA LYS 12 - HG2 PRO 86 lone 4 60 - 6 - 3.6/6170=1 HA ALA 71 - HG2 PRO 86 lone 4 50 - 7 - 4.9/3151=2, 3.0/3157=1 HB3 SER 49 - HG2 PRO 86 lone 2 60 - 3 - HA LEU 38 - HG2 PRO 86 lone 2 33 - 5 - ~6584=1 HA2 GLY 101 - HG2 PRO 86 lone 1 50 - 3 - Peak 9540 from cnoeabs.peaks (3.87, 0.81, 25.21 ppm; 3.20 A): 10 out of 20 assignments used, quality = 0.92: HA LYS 94 + QD1 LEU 70 OK 41 100 - 41 - 4175/3.1=6, 9541/2.1=6...(17) HA LEU 38 + QD2 LEU 38 OK 39 46 - 85 - 3.8=58, 1621/2.1=20...(16) HA LYS 40 + QD1 LEU 70 OK 27 100 - 27 - 9541/2.1=4, 1773/3.1=3...(10) HA LEU 38 + QD1 LEU 70 OK 24 98 - 25 - 1620=5, 9541/2.1=3...(8) HA ALA 67 + QD1 LEU 70 OK 21 81 - 26 - 2.1/9526=5, 9524=5...(10) HA LYS 40 + QD2 LEU 38 OK 19 48 - 39 - 1781/3.1=10, 1659/2.1=6...(15) HA GLU 35 + QD1 LEU 70 OK 14 61 - 22 - ~10278=3, 3.0/9549=3...(10) HA LYS 12 + QD1 LEU 70 OK 11 84 - 13 - 392/3.1=2, 9541/2.1=1 HA GLU 43 + QD1 LEU 70 OK 11 77 - 14 - 9541/2.1=2, ~10608=2...(8) HA GLU 43 + QD2 LEU 38 OK 11 32 - 34 - 1659/2.1=5, 3.7/10606=3...(16) HA GLU 35 - QD2 LEU 38 poor 6 24 - 25 - 1659/2.1=3, 3.6/10538=3...(13) HA2 GLY 100 - QD1 LEU 70 lone 5 100 - 5 - HA2 GLY 101 - QD1 LEU 70 lone 4 100 - 4 - HB3 SER 49 - QD1 LEU 70 lone 4 90 - 5 - HB3 SER 49 - QD2 LEU 38 lone 3 39 - 9 - 9071/2.1=3, ~9056=2 HA2 GLY 100 - QD2 LEU 38 lone 3 49 - 7 - ~8933=2, 1659/2.1=1 HA LYS 94 - QD2 LEU 38 lone 3 49 - 6 - HA2 GLY 101 - QD2 LEU 38 lone 3 49 - 5 - HA LYS 12 - QD2 LEU 38 lone 2 35 - 7 - HA ALA 67 - QD2 LEU 38 lone 1 33 - 4 - 2.1/9526=1 Peak 9541 from cnoeabs.peaks (3.87, 0.81, 24.20 ppm; 3.92 A): 7 out of 11 assignments used, quality = 0.92: HA LYS 94 + QD2 LEU 70 OK 55 99 - 56 - 4175/3.1=8, 3.0/3173=7...(18) HA LYS 40 + QD2 LEU 70 OK 38 99 - 39 - 9540/2.1=5, 1773/3.1=4...(17) HA LEU 38 + QD2 LEU 70 OK 31 99 - 31 - 3.0/10278=5, 1620/2.1=4...(12) HA ALA 67 + QD2 LEU 70 OK 22 73 - 30 - ~9526=5, 2979/3.1=4...(10) HA GLU 35 + QD2 LEU 70 OK 21 70 - 30 - 3.0/10278=8, ~9549=2...(13) HA GLU 43 + QD2 LEU 70 OK 19 84 - 23 - 3.0/10608=5, 3.7/10606=3...(8) HA LYS 12 + QD2 LEU 70 OK 14 77 - 18 - 392/3.1=3, 9540/2.1=2...(7) HA2 GLY 100 - QD2 LEU 70 lone 7 99 - 7 - HA2 GLY 101 - QD2 LEU 70 lone 6 99 - 6 - HB3 SER 49 - QD2 LEU 70 lone 6 84 - 7 - HA ARG 91 - QD2 LEU 70 lone 4 65 - 6 - Peak 9543 from cnoeabs.peaks (0.69, 1.37, 41.70 ppm; 3.65 A): 6 out of 8 assignments used, quality = 0.77: QD1 LEU 42 + HB2 LEU 70 OK 34 98 - 35 - 9544/1.8=9, 1935/3.9=8...(6) QD2 LEU 14 + HB2 LEU 70 OK 29 81 - 36 - ~9544=9, ~9545=4...(14) QD1 LEU 14 + HB2 LEU 70 OK 23 70 - 33 - 9544/1.8=11, ~8430=3...(12) QD1 ILE 8 + HB2 LEU 70 OK 17 77 - 21 - 2.1/317=3, 3.2/293=2...(13) QD1 ILE 52 + HB2 LEU 70 OK 13 100 - 13 - 9544/1.8=3, 9152/4.1=2...(4) QD2 LEU 6 + HB2 LEU 70 OK 11 96 - 11 - 9544/1.8=2, 9542/3.9=1...(4) QG2 VAL 58 - HB2 LEU 70 poor 9 61 - 15 - 9544/1.8=4, 4.0/9371=2...(7) QD1 ILE 56 - HB2 LEU 70 lone 5 84 - 6 - Peak 9544 from cnoeabs.peaks (0.68, 1.72, 41.70 ppm; 3.57 A): 3 out of 5 assignments used, quality = 0.62: QD1 LEU 14 + HB3 LEU 70 OK 37 98 - 38 - 10404=6, 9543/1.8=4...(16) QD1 LEU 42 + HB3 LEU 70 OK 30 99 - 31 - 1935/3.9=7, 9543/1.8=7...(6) QG2 VAL 58 + HB3 LEU 70 OK 12 96 - 13 - ~9390=2, 9543/1.8=2...(5) QD1 ILE 52 - HB3 LEU 70 poor 10 90 - 11 - 9543/1.8=3, 9152/4.1=2...(4) QD2 LEU 6 - HB3 LEU 70 lone 7 100 - 7 - 9543/1.8=2 Peak 9545 from cnoeabs.peaks (0.67, 1.70, 27.00 ppm; 4.17 A): 5 out of 12 assignments used, quality = 0.82: QD1 LEU 14 + HG2 PRO 86 OK 48 57 - 84 - 12017/2.3=19...(22) QD1 LEU 14 + HG LEU 70 OK 42 98 - 43 - 9544/3.0=10, 10404=5...(15) QG2 VAL 58 + HG2 PRO 86 OK 19 59 - 33 - 9883/2.3=8, 9889/1.8=6...(8) QD1 LEU 42 + HG LEU 70 OK 17 70 - 24 - 9544/3.0=8, 4.7/3150=7...(6) QG2 VAL 58 + HG LEU 70 OK 13 99 - 13 - 9544/3.0=3, ~10702=2...(4) QD2 LEU 6 - HG LEU 70 lone 5 77 - 6 - 9544/3.0=2 QD2 LEU 6 - HG2 PRO 86 lone 3 40 - 8 - 9881/3.8=2, 9883/2.3=2 QD1 LEU 42 - HG2 PRO 86 lone 3 35 - 9 - 9881/3.8=2, 9883/2.3=1 QD1 LEU 29 - HG LEU 70 lone 2 65 - 2 - QG2 VAL 54 - HG2 PRO 86 lone 2 35 - 4 - QG2 VAL 54 - HG LEU 70 lone 2 70 - 2 - QD1 LEU 29 - HG2 PRO 86 lone 1 33 - 3 - Peak 9546 from cnoeabs.peaks (3.59, 0.81, 25.21 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.61: HA LYS 39 + QD1 LEU 70 OK 49 65 - 75 - 10822/2.1=45...(17) HA LYS 39 + QD2 LEU 38 OK 24 26 - 91 - 10547/4.5=29, ~6602=22...(23) Peak 9547 from cnoeabs.peaks (2.90, 0.81, 25.21 ppm; 6.50 A): 3 out of 18 assignments used, quality = 0.95: HE3 LYS 66 + QD1 LEU 70 OK 71 99 - 72 - ~10821=13, 2.9/10782=12...(20) HE2 LYS 66 + QD1 LEU 70 OK 70 100 - 70 - 2.9/10782=12, ~12319=11...(20) HE3 LYS 94 + QD1 LEU 70 OK 46 77 - 60 - 3.0/11009=15, ~11009=11...(13) HE3 LYS 39 - QD1 LEU 70 OK 32 61 - 52 - ~10821=16, 6.3/9546=16...(12) HB2 ASN 60 - QD1 LEU 70 lone 9 99 - 9 - 4.0/9419=4 HE3 LYS 68 - QD1 LEU 70 poor 9 87 - 10 - 12323/2.1=1 HE2 LYS 68 - QD1 LEU 70 poor 8 81 - 10 - 12323/2.1=1, ~12323=1 HE3 LYS 39 - QD2 LEU 38 poor 7 24 - 28 - 7.2/6601=9, 6.3/9546=8...(6) HE2 LYS 20 - QD1 LEU 70 lone 5 73 - 7 - HE3 LYS 20 - QD1 LEU 70 lone 5 70 - 7 - HE2 LYS 20 - QD2 LEU 38 poor 4 30 - 14 - ~12070=3, ~12146=1...(4) HE3 LYS 20 - QD2 LEU 38 poor 4 28 - 14 - ~12070=3, ~12146=1...(4) HE2 LYS 66 - QD2 LEU 38 lone 4 49 - 7 - 7.2/9506=1 HE3 LYS 66 - QD2 LEU 38 lone 3 47 - 7 - 7.2/9506=1 HE3 LYS 68 - QD2 LEU 38 lone 3 37 - 8 - 3.6/12071=1, 3.0/12071=1 HE2 LYS 68 - QD2 LEU 38 lone 3 33 - 8 - 3.6/12071=1, 3.0/12071=1 HE3 LYS 94 - QD2 LEU 38 lone 2 32 - 8 - 3.0/11009=2 HB2 ASN 60 - QD2 LEU 38 lone 2 48 - 5 - 4.0/9419=2 Peak 9548 from cnoeabs.peaks (2.19, 0.81, 25.21 ppm; 4.35 A): 10 out of 22 assignments used, quality = 0.92: HG2 GLU 35 + QD1 LEU 70 OK 36 90 - 41 - ~10278=6, 2.9/9549=5...(17) HG3 GLU 35 + QD1 LEU 70 OK 36 90 - 41 - ~10278=6, 2.9/9549=5...(17) HG2 GLU 43 + QD2 LEU 38 OK 29 48 - 61 - 1.8/10606=10, ~10549=8...(18) HG3 PRO 86 + QD1 LEU 70 OK 28 92 - 31 - ~10278=5, 1.8/3162=3...(17) HG2 GLU 43 + QD1 LEU 70 OK 24 100 - 24 - 1.8/10606=4, ~10606=4...(7) HB2 GLU 95 + QD1 LEU 70 OK 16 61 - 26 - 3.0/3159=6, ~3167=5...(7) HG3 GLU 35 + QD2 LEU 38 OK 14 39 - 35 - 2.9/10420=4, 4.1/10167=3...(16) HG2 GLU 35 + QD2 LEU 38 OK 14 39 - 35 - 2.9/10420=4, 4.1/10167=3...(16) HB3 GLU 75 + QD1 LEU 70 OK 13 99 - 12 - 4.0/10812=2, 2.9/3159=2...(4) HB2 GLU 63 + QD1 LEU 70 OK 11 87 - 13 - 1.8/10746=3, ~10746=3...(4) HB3 GLN 50 - QD2 LEU 38 poor 8 39 - 22 - ~10626=5, 12293/2.1=5...(8) HG2 MET 1 - QD1 LEU 70 lone 6 84 - 7 - 4.2/8010=1, 3.0/9549=1 HG3 GLU 75 - QD1 LEU 70 lone 6 90 - 6 - 5.0/10812=2, 4.0/3159=1 HG2 GLU 75 - QD1 LEU 70 lone 5 84 - 6 - 5.0/10812=2, 4.0/3159=1 HB3 GLN 50 - QD1 LEU 70 lone 5 90 - 6 - 4.5/9094=1, 4.5/9092=1 HB3 GLU 75 - QD2 LEU 38 lone 3 48 - 6 - 4.0/10812=1 HB2 GLU 63 - QD2 LEU 38 lone 3 37 - 7 - 1.8/10746=1 HG2 MET 1 - QD2 LEU 38 lone 2 35 - 5 - HG3 GLU 75 - QD2 LEU 38 lone 2 39 - 5 - HG2 GLU 75 - QD2 LEU 38 lone 2 35 - 5 - HG3 PRO 86 - QD2 LEU 38 lone 1 40 - 3 - HB2 GLU 95 - QD2 LEU 38 lone 1 24 - 3 - Peak 9549 from cnoeabs.peaks (2.01, 0.81, 25.21 ppm; 3.98 A): 7 out of 18 assignments used, quality = 0.93: HB3 LYS 94 + QD1 LEU 70 OK 46 90 - 52 - 3.5/11009=8, 3.0/9540=6...(19) QE MET 74 + QD1 LEU 70 OK 40 92 - 43 - 12193/3.1=15...(10) HB2 GLU 35 + QD1 LEU 70 OK 39 99 - 39 - ~10278=7, 1.8/10420=4...(16) HB3 GLU 44 + QD1 LEU 70 OK 32 90 - 36 - ~8981=8, ~10185=4...(15) HB2 GLU 44 + QD1 LEU 70 OK 32 90 - 36 - ~8981=8, ~10185=4...(15) HB2 GLU 35 + QD2 LEU 38 OK 19 48 - 41 - 1.8/10420=4, 3.0/10167=4...(20) QE MET 74 + QD2 LEU 38 OK 10 40 - 25 - 9610/3.8=5, 3368/3.1=4...(9) HB3 GLU 17 - QD1 LEU 70 lone 9 99 - 9 - 4.0/10812=1 HB3 MET 1 - QD1 LEU 70 lone 8 94 - 9 - 4.6/6013=1, 3.0/8010=1, ~8010=1 HB2 GLN 50 - QD2 LEU 38 poor 8 37 - 22 - ~12293=8, ~10626=4...(7) HB2 GLN 50 - QD1 LEU 70 lone 5 87 - 5 - HB2 GLU 62 - QD1 LEU 70 lone 4 99 - 4 - HB3 LYS 94 - QD2 LEU 38 lone 3 39 - 7 - 3.5/11009=1 HB2 GLU 62 - QD2 LEU 38 lone 2 48 - 5 - HB3 GLU 17 - QD2 LEU 38 lone 2 47 - 3 - HB3 MET 1 - QD2 LEU 38 lone 2 42 - 4 - HB2 GLU 44 - QD2 LEU 38 lone 1 39 - 3 - HB3 GLU 44 - QD2 LEU 38 lone 1 39 - 3 - Peak 9551 from cnoeabs.peaks (2.52, 3.85, 55.14 ppm; 4.54 A): 3 out of 16 assignments used, quality = 0.70: HG2 MET 74 + HA ALA 71 OK 60 90 - 67 - 1.8/9552=21...(11) HG3 GLU 95 + HA ALA 71 OK 14 94 - 15 - 4308/4.9=4, 7175/3.6=3 HG2 MET 74 + HA ALA 67 OK 13 43 - 31 - ~9597=6, 1.8/9611=6...(8) HG3 GLU 63 - HA ALA 71 lone 5 100 - 5 - ~10835=1 HB3 ASP 36 - HA ALA 71 lone 5 92 - 5 - 4.0/10828=3 HB2 ASP 36 - HA ALA 71 lone 5 90 - 5 - 4.0/10828=3 HG3 GLU 63 - HA ALA 67 lone 4 54 - 7 - ~10748=3, ~7086=2 HB3 ASP 36 - HA ALA 67 lone 3 45 - 6 - 1572/3.6=1, 8513/4.8=1 HB2 ASP 36 - HA ALA 67 lone 3 43 - 6 - 1572/3.6=1, 8513/4.8=1 HG3 GLU 95 - HA ALA 67 lone 2 47 - 5 - 4.1/11014=1 HB2 ASP 87 - HA ALA 71 lone 2 61 - 3 - 4.6/10829=2 HB3 ASP 87 - HA ALA 71 lone 2 61 - 3 - 4.6/10829=2 HB2 ASP 61 - HA ALA 71 lone 1 97 - 1 - HB2 ASP 61 - HA ALA 67 lone 1 49 - 3 - HB2 ASP 87 - HA ALA 67 lone 1 27 - 2 - HB3 ASP 87 - HA ALA 67 lone 1 27 - 2 - Peak 9552 from cnoeabs.peaks (2.62, 3.85, 55.14 ppm; 4.89 A): 4 out of 6 assignments used, quality = 0.83: HG3 MET 74 + HA ALA 71 OK 72 99 - 73 - 1.8/9551=22...(11) HG3 MET 74 + HA ALA 67 OK 21 53 - 39 - 9597/2.1=9, 9611=9...(9) HB3 TYR 41 + HA ALA 71 OK 12 61 - 19 - ~10584=5, ~6718=2...(4) HB3 ASP 77 + HA ALA 71 OK 11 73 - 15 - 4.4/10828=7...(3) HB3 TYR 41 - HA ALA 67 poor 3 27 - 13 - ~7080=2, 4.1/2978=2...(6) HB3 ASP 77 - HA ALA 67 lone 2 33 - 7 - 9680/3.0=1 Peak 9553 from cnoeabs.peaks (0.74, 1.41, 18.49 ppm; 2.68 A): 3 out of 10 assignments used, quality = 0.74: QG1 VAL 78 + QB ALA 71 OK 53 96 - 55 - 2.1/9685=17, 10290=17...(9) QG2 VAL 78 + QB ALA 71 OK 37 73 - 51 - 2.1/9685=17, 10292=14...(9) QD2 LEU 27 + QB ALA 71 OK 12 96 - 12 - 1212/2.9=2, 10838/2.1=1...(6) QG2 ILE 93 - QB ALA 71 poor 9 84 - 11 - 10838/2.1=2, 4145/2.9=2...(4) HG13 ILE 15 - QB ALA 71 poor 8 70 - 11 - 10838/2.1=2, 3.2/12176=2 HG13 ILE 93 - QB ALA 71 lone 8 98 - 8 - 10838/2.1=1, ~4169=1 QG1 VAL 5 - QB ALA 71 lone 7 90 - 7 - 10292=2, ~10370=1 QD1 LEU 64 - QB ALA 71 lone 6 99 - 6 - 2849/3.6=2, 3482/9685=1 QG1 VAL 58 - QB ALA 71 lone 1 70 - 2 - HG3 ARG 81 - QB ALA 71 lone 1 100 - 1 - Peak 9559 from cnoeabs.peaks (4.00, 2.23, 28.06 ppm; 3.84 A): 4 out of 5 assignments used, quality = 0.88: HA GLU 69 + HB3 GLN 72 OK 58 96 - 61 - 3.0/3200=12, 9562/3.0=11...(13) HA GLU 75 + HB3 GLN 72 OK 56 100 - 56 - 9619/3.0=11, 9562/3.0=9...(18) HA GLU 95 + HB3 GLN 72 OK 21 57 - 36 - 4.1/3205=5, 3.0/3202=4...(17) HA LEU 70 + HB3 GLN 72 OK 17 70 - 25 - 9578/4.6=8, 3.6/10824=6...(8) HB3 SER 97 - HB3 GLN 72 lone 6 61 - 9 - 9562/3.0=2, 9560/1.8=1, ~12324=1 Peak 9560 from cnoeabs.peaks (3.98, 2.16, 28.06 ppm; 3.97 A): 2 out of 5 assignments used, quality = 0.70: HA GLU 69 + HB2 GLN 72 OK 55 92 - 60 - 3.0/3191=12...(13) HA GLU 75 + HB2 GLN 72 OK 33 73 - 45 - 9619/3.0=7, 9562/3.0=7...(14) HB3 SER 97 - HB2 GLN 72 lone 9 100 - 8 - 9562/3.0=1, 10833/3.0=1 HD2 PRO 86 - HB2 GLN 72 lone 4 96 - 4 - ~12333=1 HD3 PRO 86 - HB2 GLN 72 lone 4 94 - 4 - ~12333=1 Peak 9561 from cnoeabs.peaks (4.01, 2.42, 33.99 ppm; 4.79 A): 5 out of 8 assignments used, quality = 0.92: HA GLU 75 + HG2 GLN 72 OK 59 92 - 64 - 9559/3.0=13, 9619/3.9=12...(16) HA GLU 69 + HG2 GLN 72 OK 53 73 - 72 - 9562/1.8=14, 9559/3.0=14...(13) HA GLU 95 + HG2 GLN 72 OK 41 87 - 48 - 4279/1.8=7, ~4290=5...(16) HA LEU 70 + HG2 GLN 72 OK 20 94 - 21 - 9554/4.8=5, 9559/3.0=4...(7) HA GLU 75 + HG3 GLN 50 OK 14 66 - 22 - 9624/3.7=5, 3378/2.9=1...(6) HA GLU 95 - HG3 GLN 50 lone 4 62 - 7 - ~7531=1 HA GLU 69 - HG3 GLN 50 lone 4 50 - 9 - 9571/3216=1, 9559/3204=1 HA LEU 70 - HG3 GLN 50 lone 3 69 - 4 - Peak 9562 from cnoeabs.peaks (4.00, 2.54, 33.99 ppm; 4.68 A): 3 out of 3 assignments used, quality = 0.94: HA GLU 69 + HG3 GLN 72 OK 79 100 - 79 - 10803/3.5=20...(14) HA GLU 75 + HG3 GLN 72 OK 66 100 - 67 - 9559/3.0=14, 9619/3.9=14...(17) HB3 SER 97 + HG3 GLN 72 OK 13 81 - 15 - 3.0/12324=3, 9560/3.0=2...(7) Peak 9563 from cnoeabs.peaks (1.89, 2.54, 33.99 ppm; 5.49 A): 4 out of 9 assignments used, quality = 0.74: HB3 LYS 68 + HG3 GLN 72 OK 58 77 - 76 - 3.0/12324=17...(14) HB3 LEU 14 + HG3 GLN 72 OK 18 73 - 25 - ~8433=4, ~8404=4...(7) HB2 ARG 19 + HG3 GLN 72 OK 15 98 - 15 - 3.0/12324=5, ~12325=3...(4) HB ILE 8 + HG3 GLN 72 OK 10 94 - 11 - 2.9/9565=4, 3.2/9566=2, ~9100=1 HB3 LYS 12 - HG3 GLN 72 poor 8 57 - 13 - 1.8/12167=3, 12167=2...(5) HB VAL 54 - HG3 GLN 72 lone 6 100 - 6 - 9234/12175=1 HB3 GLU 104 - HG3 GLN 72 lone 4 73 - 6 - HG LEU 42 - HG3 GLN 72 lone 4 92 - 4 - HB2 LYS 20 - HG3 GLN 72 lone 4 100 - 4 - Peak 9564 from cnoeabs.peaks (1.64, 2.54, 33.99 ppm; 5.13 A): 4 out of 11 assignments used, quality = 0.96: HG2 LYS 68 + HG3 GLN 72 OK 71 100 - 71 - 10790/3.9=18...(14) HD3 LYS 68 + HG3 GLN 72 OK 55 87 - 64 - 3.5/12167=14...(14) HD2 LYS 68 + HG3 GLN 72 OK 53 84 - 64 - 3.5/12167=14...(14) HD2 LYS 94 + HG3 GLN 72 OK 32 77 - 42 - 3.0/9565=14, 10841/3.0=6...(11) HG3 LYS 47 - HG3 GLN 72 OK 27 70 - 39 - 10841/3.0=9, ~12182=9...(10) HD3 LYS 39 - HG3 GLN 72 OK 14 100 - 14 - 9556/4.8=2, 1738/12167=2...(4) HB ILE 76 - HG3 GLN 72 OK 13 99 - 13 - 9556/4.8=3...(3) HB2 LYS 40 - HG3 GLN 72 lone 9 97 - 9 - 2.9/9565=2, 4.3/3226=1...(4) HD2 LYS 39 - HG3 GLN 72 poor 9 77 - 11 - 3.6/12167=1, 9575/3.5=1 HB3 LEU 6 - HG3 GLN 72 lone 4 94 - 4 - HB3 ARG 79 - HG3 GLN 72 lone 3 77 - 4 - Peak 9565 from cnoeabs.peaks (1.37, 2.54, 33.99 ppm; 5.32 A): 3 out of 5 assignments used, quality = 0.52: HG3 LYS 94 + HG3 GLN 72 OK 32 98 - 33 - 12256/3.0=6, ~10841=6...(9) HB3 ARG 30 + HG3 GLN 72 OK 17 99 - 17 - ~8697=3, 8700/3.5=3...(6) HB2 LEU 70 + HG3 GLN 72 OK 15 98 - 15 - ~9561=3, ~9559=3...(5) HG12 ILE 8 - HG3 GLN 72 lone 8 87 - 9 - 2.9/9563=3, 2.1/9566=3, ~9100=1 HG3 LYS 40 - HG3 GLN 72 lone 5 73 - 6 - 2.9/9564=1 Peak 9566 from cnoeabs.peaks (0.73, 2.54, 33.99 ppm; 5.73 A): 4 out of 10 assignments used, quality = 0.56: QG2 VAL 78 + HG3 GLN 72 OK 27 97 - 28 - 9558/4.8=11...(7) QD1 LEU 64 + HG3 GLN 72 OK 18 84 - 21 - ~10626=7, 2849/4.8=6...(4) QD2 LEU 27 + HG3 GLN 72 OK 17 100 - 17 - 9558/4.8=4, 9569/1.8=2...(6) QG1 VAL 5 + HG3 GLN 72 OK 12 100 - 12 - 9558/4.8=3, 9569/1.8=1...(4) QG1 VAL 78 - HG3 GLN 72 poor 10 70 - 14 - 9553/12175=3, 9569/1.8=3...(5) QD1 ILE 8 - HG3 GLN 72 poor 9 61 - 14 - 2.1/9565=5, 3.2/9563=3...(4) QG1 VAL 58 - HG3 GLN 72 lone 8 96 - 9 - 9558/4.8=3, 9381/3.0=1 HG13 ILE 93 - HG3 GLN 72 lone 8 77 - 10 - ~9569=2, ~9100=1...(4) HG3 ARG 81 - HG3 GLN 72 lone 6 90 - 6 - ~9749=3, 9569/1.8=1 HG13 ILE 56 - HG3 GLN 72 lone 4 81 - 5 - 9558/4.8=2 Peak 9567 from cnoeabs.peaks (1.61, 2.42, 33.99 ppm; 5.70 A): 8 out of 18 assignments used, quality = 0.93: HG3 LYS 47 + HG2 GLN 72 OK 51 97 - 53 - 10841/3.0=14, ~12182=10...(10) HD2 LYS 94 + HG2 GLN 72 OK 43 94 - 46 - ~9565=12, 10841/3.0=9...(11) HG3 LYS 73 + HG2 GLN 72 OK 32 70 - 46 - 4.9/7200=13, ~12182=10...(8) HD3 LYS 94 + HG2 GLN 72 OK 31 70 - 45 - ~9565=12, ~10841=9...(11) HB2 ARG 30 + HG2 GLN 72 OK 20 87 - 23 - ~9565=8, 8697/3.5=4...(6) HD2 LYS 94 + HG3 GLN 50 OK 20 69 - 29 - ~2299=4, 4233/2.9=4...(9) HD3 LYS 94 + HG3 GLN 50 OK 12 47 - 26 - ~2299=4, 3.0/9568=3...(9) HG LEU 27 + HG2 GLN 72 OK 10 70 - 15 - ~9566=5, 2.1/9569=3...(4) HG3 LYS 47 - HG3 GLN 50 poor 8 72 - 12 - 2178/3.5=3, 6785/6794=2 HD2 LYS 66 - HG2 GLN 72 lone 4 81 - 5 - HG3 LYS 73 - HG3 GLN 50 lone 4 47 - 9 - 4.9/7200=4 HB2 ARG 79 - HG2 GLN 72 lone 4 77 - 5 - HG LEU 27 - HG3 GLN 50 lone 4 47 - 7 - ~10485=2, 2.1/9569=1, 2.1/9100=1 HB2 ARG 30 - HG3 GLN 50 lone 2 62 - 4 - HB3 LEU 29 - HG2 GLN 72 lone 2 61 - 3 - HD2 LYS 66 - HG3 GLN 50 lone 2 56 - 3 - HB2 ARG 79 - HG3 GLN 50 lone 1 53 - 2 - HB3 LEU 29 - HG3 GLN 50 lone 1 41 - 2 - Peak 9568 from cnoeabs.peaks (1.40, 2.42, 33.99 ppm; 5.68 A): 4 out of 4 assignments used, quality = 0.86: QB ALA 71 + HG2 GLN 72 OK 77 87 - 89 - 12298/1.8=42...(9) HG3 LYS 94 + HG2 GLN 72 OK 21 65 - 33 - ~10841=7, 3.0/9567=6...(9) QB ALA 71 + HG3 GLN 50 OK 13 62 - 21 - 3.6/7174=6, 5.0/3186=5...(5) HG3 LYS 94 + HG3 GLN 50 OK 12 44 - 26 - ~2299=4, ~4211=4...(11) Peak 9569 from cnoeabs.peaks (0.74, 2.42, 33.99 ppm; 5.51 A): 8 out of 20 assignments used, quality = 0.80: HG13 ILE 93 + HG3 GLN 50 OK 26 77 - 33 - ~10996=5, ~2299=4...(12) QG2 ILE 93 + HG3 GLN 50 OK 23 66 - 35 - 10013/1.8=5, ~10010=5...(14) QD1 LEU 64 + HG2 GLN 72 OK 22 100 - 21 - 2849/4.8=7, 2.1/10626=5...(4) QD1 LEU 64 + HG3 GLN 50 OK 20 78 - 25 - ~12293=7, 10755/5.1=7...(4) QG1 VAL 78 + HG2 GLN 72 OK 17 99 - 18 - ~9566=7, 9553/9568=3...(5) QD2 LEU 27 + HG2 GLN 72 OK 15 90 - 16 - 9566/1.8=4, 9558/4.8=2...(6) QG2 VAL 78 + HG2 GLN 72 OK 11 61 - 18 - 9566/1.8=6, 9558/4.8=5...(4) QG2 ILE 93 + HG2 GLN 72 OK 11 92 - 11 - 4.3/10034=4, ~9566=2 HG13 ILE 93 - HG2 GLN 72 lone 8 100 - 8 - 9566/1.8=2 QG1 VAL 5 - HG2 GLN 72 lone 7 81 - 9 - 9566/1.8=3, 9558/4.8=2, ~12304=1 HG3 ARG 81 - HG2 GLN 72 lone 6 100 - 6 - ~9749=2, 9566/1.8=1 QD2 LEU 27 - HG3 GLN 50 lone 5 64 - 8 - ~10485=2, 2.1/9100=1 HG13 ILE 15 - HG2 GLN 72 lone 5 81 - 6 - QG1 VAL 78 - HG3 GLN 50 lone 4 75 - 6 - 10906/10626=1 HG13 ILE 15 - HG3 GLN 50 lone 3 56 - 6 - QD1 ILE 15 - HG2 GLN 72 lone 3 61 - 5 - QD1 ILE 15 - HG3 GLN 50 lone 3 41 - 7 - 8438/5.1=2 HG3 ARG 81 - HG3 GLN 50 lone 2 78 - 3 - QG1 VAL 5 - HG3 GLN 50 lone 2 56 - 3 - QG2 VAL 78 - HG3 GLN 50 lone 1 41 - 3 - Peak 9580 from cnoeabs.peaks (4.04, 1.67, 28.90 ppm; 3.82 A): 5 out of 18 assignments used, quality = 0.68: HA LYS 20 + HD3 LYS 20 OK 30 34 - 88 - 5.3=38, 2.9/6312=8...(42) HA LEU 70 + HD2 LYS 73 OK 19 73 - 27 - 10815/3.6=4, 10815/3.6=4...(9) HA LEU 70 + HD3 LYS 73 OK 19 71 - 27 - 10815/3.6=4, 10815/3.6=4...(9) HB3 SER 59 + HD2 LYS 73 OK 16 100 - 16 - 9582/3.6=3, 9582/3.6=3...(5) HB3 SER 59 + HD3 LYS 73 OK 16 99 - 16 - 9582/3.6=3, 9582/3.6=3...(5) HA GLU 16 - HD3 LYS 20 poor 10 48 - 20 - 693/3.5=3, 694/3.5=2...(8) HA GLU 17 - HD2 LYS 73 poor 8 70 - 12 - 9582/3.6=3, 9582/3.6=3 HA GLU 17 - HD3 LYS 73 poor 8 68 - 12 - 9582/3.6=3, 9582/3.6=3 HA LYS 20 - HD2 LYS 73 poor 8 73 - 11 - 3.6/6329=1 HA GLU 17 - HD3 LYS 20 poor 8 32 - 26 - 733/3.5=4, 732/5.9=4...(9) HA GLU 95 - HD2 LYS 73 lone 8 84 - 10 - 9578/6.4=1, 9582/3.6=1...(5) HA LYS 20 - HD3 LYS 73 poor 8 71 - 11 - 3.6/6327=1 HA GLU 95 - HD3 LYS 73 lone 8 82 - 10 - 9578/6.4=1, 9582/3.6=1...(5) HA GLU 16 - HD2 LYS 73 lone 6 94 - 6 - 9582/3.6=1, 9582/3.6=1 HA GLU 16 - HD3 LYS 73 lone 5 92 - 6 - 9582/3.6=1, 9582/3.6=1 HB3 SER 59 - HD3 LYS 20 lone 2 56 - 3 - HA LEU 70 - HD3 LYS 20 lone 0 34 - 1 - HA GLU 95 - HD3 LYS 20 lone 0 41 - 1 - Peak 9581 from cnoeabs.peaks (4.02, 1.60, 25.00 ppm; 5.23 A): 5 out of 8 assignments used, quality = 0.82: HA LEU 70 + HG3 LYS 73 OK 63 100 - 64 - 10810/4.9=22...(11) HA GLU 95 + HG3 LYS 73 OK 24 99 - 24 - 9578/4.9=7, 3.0/12183=4...(5) HA LEU 70 + HG3 LYS 12 OK 15 95 - 16 - 10817/3.7=2, 3128/3.0=1...(5) HA GLU 75 + HG3 LYS 73 OK 14 70 - 20 - 9578/4.9=6, ~7236=3...(7) HB3 SER 59 + HG3 LYS 73 OK 13 61 - 21 - 1.8/3272=3, 9578/4.9=2...(11) HA GLU 95 - HG3 LYS 12 lone 9 93 - 10 - 3.0/7535=2, 11014/3.7=2 HA GLU 75 - HG3 LYS 12 poor 7 62 - 11 - ~425=2, 2.9/436=2 HB3 SER 59 - HG3 LYS 12 lone 2 55 - 3 - Peak 9582 from cnoeabs.peaks (4.04, 1.96, 32.28 ppm; 3.31 A): 0 out of 24 assignments used, low quality = 0.22: HB3 SER 59 - HB2 LYS 73 OK 12 99 - 12 - 2685/3.0=2, 9580/3.6=2...(5) HB3 SER 59 - HB3 LYS 73 OK 12 99 - 12 - 2685/3.0=2, 9580/3.6=2...(5) HA GLU 17 - HB2 LYS 73 poor 10 90 - 11 - HA GLU 17 - HB3 LYS 73 poor 10 89 - 11 - HA GLU 16 - HB3 LYS 73 lone 5 100 - 5 - HA GLU 16 - HB2 LYS 73 lone 5 100 - 5 - HA GLU 95 - HB2 LYS 73 lone 5 61 - 8 - 9578/4.1=1, 10857/4.6=1 HA GLU 95 - HB3 LYS 73 lone 5 61 - 8 - 9578/4.1=1, 10857/4.6=1 HA GLU 16 - HB3 LYS 24 lone 5 79 - 6 - 6372/4.0=3 HA GLU 16 - HB2 LYS 24 lone 5 79 - 6 - 6372/4.0=3 HA LYS 20 - HB2 LYS 24 lone 3 68 - 5 - 6372/4.0=3 HA LYS 20 - HB3 LYS 24 lone 3 68 - 5 - 6372/4.0=3 HA LYS 20 - HB2 LYS 73 lone 3 92 - 3 - HA LYS 20 - HB3 LYS 73 lone 3 91 - 3 - HA GLU 17 - HB3 LYS 24 lone 3 66 - 4 - 6372/4.0=2 HA GLU 17 - HB2 LYS 24 lone 3 66 - 4 - 6372/4.0=2 HB2 SER 49 - HB2 LYS 24 lone 2 52 - 4 - 6372/4.0=1 HB2 SER 49 - HB3 LYS 24 lone 2 52 - 4 - 6372/4.0=1 HB3 SER 59 - HB2 LYS 24 lone 2 77 - 2 - 6372/4.0=1 HB3 SER 59 - HB3 LYS 24 lone 2 77 - 2 - 6372/4.0=1 HB2 SER 49 - HB2 LYS 73 lone 2 73 - 2 - HB2 SER 49 - HB3 LYS 73 lone 2 73 - 2 - HA GLU 95 - HB2 LYS 24 lone 0 42 - 1 - HA GLU 95 - HB3 LYS 24 lone 0 42 - 1 - Peak 9584 from cnoeabs.peaks (7.54, 2.06, 33.37 ppm; 6.44 A): 3 out of 3 assignments used, quality = 0.84: H LEU 38 + HB2 MET 74 OK 58 92 - 64 - 9583/4.0=13, 4.6/3334=11...(14) H ILE 76 + HB2 MET 74 OK 43 61 - 69 - 4.5/9595=29, 9583/4.0=19...(9) H LEU 14 + HB2 MET 74 OK 32 90 - 35 - 9583/4.0=11, 7245/4.3=8...(6) Peak 9585 from cnoeabs.peaks (8.20, 2.00, 17.28 ppm; 3.69 A): 3 out of 6 assignments used, quality = 0.77: H GLU 43 + QE MET 74 OK 61 99 - 61 - 12303=13, 4.6/9589=10...(16) H ASP 36 + QE MET 74 OK 29 84 - 35 - 6558=7, 3.0/10536=4...(11) H LYS 68 + QE MET 74 OK 18 87 - 21 - 3.6/9603=6, 10557/9609=2...(5) H PHE 96 - QE MET 74 lone 7 81 - 8 - 3.6/10282=5 H SER 97 - QE MET 74 lone 2 65 - 3 - H GLU 104 - QE MET 74 lone 1 65 - 2 - Peak 9586 from cnoeabs.peaks (9.07, 2.00, 17.28 ppm; 5.79 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9587 from cnoeabs.peaks (7.95, 2.00, 17.28 ppm; 4.46 A): 2 out of 2 assignments used, quality = 0.77: H LEU 42 + QE MET 74 OK 61 84 - 73 - 4.7/9605=14, 4.6/9585=14...(16) H LEU 70 + QE MET 74 OK 40 90 - 45 - 3.0/10282=14...(13) Peak 9588 from cnoeabs.peaks (7.86, 2.00, 17.28 ppm; 5.48 A): 2 out of 2 assignments used, quality = 0.52: H LYS 73 + QE MET 74 OK 32 61 - 52 - 4.7/7230=16, ~10862=6...(13) H LEU 3 + QE MET 74 OK 30 73 - 41 - 4.6/9603=16, 5.0/10868=9...(9) Peak 9589 from cnoeabs.peaks (7.60, 2.00, 17.28 ppm; 4.77 A): 2 out of 3 assignments used, quality = 0.63: H GLU 44 + QE MET 74 OK 56 100 - 56 - 4.6/9585=15, 3.6/9610=10...(14) H GLU 48 + QE MET 74 OK 16 81 - 20 - 4.9/10280=2, 6697/9585=2...(7) HD22 ASN 10 - QE MET 74 lone 6 99 - 6 - 6697/9585=1, 1990/10280=1 Peak 9594 from cnoeabs.peaks (1.42, 2.06, 33.37 ppm; 5.67 A): 3 out of 6 assignments used, quality = 0.93: QB ALA 71 + HB2 MET 74 OK 80 94 - 86 - 10871/3.0=29...(14) HG13 ILE 76 + HB2 MET 74 OK 55 70 - 79 - 1.8/9595=33, ~10880=15...(12) HG2 LYS 13 + HB2 MET 74 OK 22 90 - 24 - 9590/4.0=6, 4.8/3341=5...(6) QB ALA 22 - HB2 MET 74 OK 20 73 - 26 - 4.4/3335=6, ~10861=4...(9) HG12 ILE 7 - HB2 MET 74 OK 18 99 - 18 - 10871/3.0=4, 9590/4.0=3...(6) HG LEU 29 - HB2 MET 74 lone 6 73 - 8 - 9590/4.0=1 Peak 9595 from cnoeabs.peaks (1.08, 2.06, 33.37 ppm; 5.93 A): 2 out of 2 assignments used, quality = 0.87: HG12 ILE 76 + HB2 MET 74 OK 85 99 - 86 - 9591/4.0=23, 9606/4.2=23...(14) HG2 ARG 91 + HB2 MET 74 OK 14 98 - 14 - 9591/4.0=7, 7256/9645=2 Peak 9596 from cnoeabs.peaks (0.81, 2.06, 33.37 ppm; 5.38 A): 7 out of 10 assignments used, quality = 0.94: QD1 ILE 76 + HB2 MET 74 OK 70 92 - 76 - 2.1/9595=29...(12) QD2 LEU 38 + HB2 MET 74 OK 37 87 - 43 - 4.5/9584=9, ~3344=4...(14) QD1 LEU 70 + HB2 MET 74 OK 24 99 - 24 - 9549/4.2=6, 9592/4.0=5...(6) QD2 LEU 2 + HB2 MET 74 OK 23 100 - 23 - ~9597=7, 9592/4.0=5...(5) QG2 ILE 15 + HB2 MET 74 OK 20 100 - 20 - 4.0/3341=4, 9592/4.0=3...(7) QD2 LEU 70 + HB2 MET 74 OK 20 100 - 20 - 9592/4.0=5, 9604/4.2=4...(5) QG2 ILE 7 + HB2 MET 74 OK 14 87 - 16 - 3.2/9594=3, ~10871=2...(6) QD2 LEU 57 - HB2 MET 74 lone 5 77 - 6 - 9592/4.0=1 QD1 LEU 57 - HB2 MET 74 lone 3 70 - 5 - ~9614=1 QD2 LEU 103 - HB2 MET 74 lone 3 73 - 4 - Peak 9597 from cnoeabs.peaks (1.32, 2.62, 33.04 ppm; 5.23 A): 3 out of 6 assignments used, quality = 0.68: HB3 LEU 2 + HG3 MET 74 OK 36 94 - 39 - 9603/3.4=18, ~10868=6...(9) QB ALA 67 + HG3 MET 74 OK 31 84 - 37 - 9603/3.4=11, 2.1/9611=8...(9) QB ALA 25 + HG3 MET 74 OK 28 77 - 36 - 9603/3.4=8, 2.1/3359=6...(11) HG2 LYS 94 - HG3 MET 74 poor 10 77 - 13 - 9603/3.4=5, ~12193=3, 3.7/9611=2 QB ALA 89 - HG3 MET 74 lone 5 77 - 7 - 9603/3.4=2 HB2 LYS 82 - HG3 MET 74 lone 2 61 - 4 - 9603/3.4=1 Peak 9598 from cnoeabs.peaks (0.78, 2.62, 33.04 ppm; 4.25 A): 4 out of 9 assignments used, quality = 0.75: QD2 LEU 42 + HG3 MET 74 OK 57 81 - 71 - 2.1/9599=23, 10595=16...(13) QG2 ILE 52 + HG3 MET 74 OK 19 100 - 19 - 12317=4, ~9615=3...(7) QD1 LEU 6 + HG3 MET 74 OK 17 92 - 19 - 2.1/9599=6, 8227=5...(4) QG2 ILE 8 + HG3 MET 74 OK 13 98 - 13 - ~12193=2, ~9615=2...(6) QG2 ILE 7 - HG3 MET 74 lone 5 65 - 8 - 9604/3.4=2, ~10868=2...(4) QG1 VAL 54 - HG3 MET 74 lone 5 61 - 8 - 4.0/9241=2, 2.1/9599=2 QD1 ILE 93 - HG3 MET 74 lone 4 90 - 4 - QD2 LEU 57 - HG3 MET 74 lone 3 77 - 3 - QD1 LEU 27 - HG3 MET 74 lone 2 87 - 3 - Peak 9599 from cnoeabs.peaks (0.67, 2.62, 33.04 ppm; 3.81 A): 2 out of 6 assignments used, quality = 0.45: QD1 LEU 42 + HG3 MET 74 OK 37 70 - 54 - 2.1/10595=17...(12) QD1 LEU 14 + HG3 MET 74 OK 13 98 - 13 - 9605/3.4=4, 625/4.8=2...(4) QD2 LEU 6 - HG3 MET 74 poor 9 77 - 12 - 2.1/9598=4, 9605/3.4=4 QG2 VAL 58 - HG3 MET 74 lone 5 99 - 5 - 9605/3.4=2 QG2 VAL 54 - HG3 MET 74 lone 3 70 - 4 - 4.0/9241=1, 2.1/9598=1 QD1 LEU 29 - HG3 MET 74 lone 1 65 - 2 - Peak 9600 from cnoeabs.peaks (1.67, 2.00, 17.28 ppm; 3.75 A): 5 out of 16 assignments used, quality = 0.75: HD2 LYS 39 + QE MET 74 OK 49 87 - 56 - 4.9/9609=16, 3.6/9601=12...(9) HB ILE 52 + QE MET 74 OK 19 99 - 20 - 3.2/9605=3, 2.1/9604=3...(6) HD2 LYS 73 + QE MET 74 OK 18 100 - 18 - 6.4/9588=4, 3.6/3369=4...(4) HD3 LYS 73 + QE MET 74 OK 18 100 - 18 - 6.4/9588=4, 3.6/3369=4...(4) HB3 LYS 40 + QE MET 74 OK 10 70 - 15 - 3.0/9610=5, 4.3/8881=2...(4) HD2 LYS 68 - QE MET 74 lone 8 81 - 10 - 1725/9609=2, 5.9/9585=2 HD3 LYS 68 - QE MET 74 lone 7 77 - 10 - 1725/9609=2, 5.9/9585=2 HB3 LEU 6 - QE MET 74 poor 7 65 - 11 - 3.1/9605=4, ~8227=1...(4) HD2 LYS 47 - QE MET 74 lone 4 81 - 5 - 3.9/3369=1 HD3 LYS 47 - QE MET 74 lone 4 77 - 5 - 3.9/3369=1 HB3 ARG 91 - QE MET 74 lone 4 73 - 5 - 3.0/9610=1 HG3 LYS 20 - QE MET 74 lone 3 96 - 3 - HD3 LYS 20 - QE MET 74 lone 3 96 - 3 - HD2 LYS 20 - QE MET 74 lone 3 90 - 3 - HB3 LYS 53 - QE MET 74 lone 3 61 - 4 - 3.9/9185=2 HB3 ARG 79 - QE MET 74 lone 2 87 - 2 - Peak 9601 from cnoeabs.peaks (1.79, 2.00, 17.28 ppm; 3.32 A): 3 out of 5 assignments used, quality = 0.69: HB2 LYS 39 + QE MET 74 OK 46 90 - 51 - 3.0/9609=22, 3.0/9602=9...(10) HG3 ARG 46 + QE MET 74 OK 33 100 - 33 - 3.0/9608=19, 3.0/3369=4...(5) HB3 GLU 63 + QE MET 74 OK 16 94 - 17 - 3.0/3370=3, 2784/3.4=2...(6) HB VAL 78 - QE MET 74 lone 6 97 - 6 - 3.8/3366=2, 3478/6.0=1 HB ILE 93 - QE MET 74 lone 3 73 - 4 - Peak 9602 from cnoeabs.peaks (1.44, 2.00, 17.28 ppm; 3.45 A): 4 out of 9 assignments used, quality = 0.85: HG3 LYS 39 + QE MET 74 OK 60 99 - 60 - 3.9/9609=19, 3.0/9601=12...(12) HG13 ILE 76 + QE MET 74 OK 52 100 - 52 - 1.8/9606=21, 2.1/9604=12...(11) HB2 LEU 38 + QE MET 74 OK 16 65 - 24 - 3.0/9610=5, 1.8/3368=5...(7) HG12 ILE 7 + QE MET 74 OK 11 84 - 13 - 1.8/10868=3, 3.2/9604=2 HG2 LYS 13 - QE MET 74 lone 7 97 - 7 - 4.8/3373=2, 9590/6.0=1 QB ALA 22 - QE MET 74 lone 7 100 - 7 - 4.4/3367=2 HG LEU 29 - QE MET 74 lone 6 100 - 6 - HG2 LYS 12 - QE MET 74 lone 5 96 - 6 - 1671/9609=1 HG3 ARG 91 - QE MET 74 lone 3 77 - 4 - Peak 9603 from cnoeabs.peaks (1.32, 2.00, 17.28 ppm; 3.29 A): 0 out of 7 assignments used, low quality = 0.32: HB3 LEU 2 - QE MET 74 OK 22 96 - 23 - 3.1/10868=5, 4.6/9588=4...(6) QB ALA 67 - QE MET 74 OK 13 87 - 15 - 9597/3.4=3, 3.6/9585=3...(6) QB ALA 25 - QE MET 74 poor 9 81 - 12 - 9597/3.4=3, 2.1/3367=3...(4) HG2 LYS 94 - QE MET 74 lone 6 81 - 8 - 3.7/9610=2, 1.8/12193=1 QB ALA 89 - QE MET 74 lone 2 81 - 3 - HB2 LYS 82 - QE MET 74 lone 1 65 - 2 - HB3 LEU 27 - QE MET 74 lone 1 61 - 2 - Peak 9604 from cnoeabs.peaks (0.80, 2.00, 17.28 ppm; 2.93 A): 5 out of 9 assignments used, quality = 0.70: QD1 ILE 76 + QE MET 74 OK 41 99 - 41 - 2.1/9606=13, 2.1/9602=8...(10) QD2 LEU 70 + QE MET 74 OK 22 87 - 25 - 4.0/10282=4...(7) QD2 LEU 2 + QE MET 74 OK 19 84 - 23 - 3.1/9603=8, 2.1/10868=4...(6) QD1 LEU 70 + QE MET 74 OK 11 57 - 19 - 4.0/10282=4, 4.6/9587=3...(4) QG2 ILE 7 + QE MET 74 OK 10 100 - 10 - 3.2/10868=2, 3.2/9602=1 QG2 ILE 8 - QE MET 74 lone 8 94 - 8 - 3.1/10868=1 QG2 ILE 52 - QE MET 74 poor 8 70 - 11 - 2.1/9600=3, 3.1/9605=2...(4) QG2 ILE 15 - QE MET 74 lone 6 81 - 8 - 4.0/3373=1 QD2 LEU 57 - QE MET 74 lone 5 100 - 5 - Peak 9605 from cnoeabs.peaks (0.68, 2.00, 17.28 ppm; 3.65 A): 4 out of 5 assignments used, quality = 0.76: QD1 LEU 42 + QE MET 74 OK 60 90 - 67 - 9599/3.4=13, 10342=12...(16) QD1 LEU 14 + QE MET 74 OK 17 100 - 17 - 9599/3.4=4, 4.0/593=2...(5) QD2 LEU 6 + QE MET 74 OK 15 94 - 16 - 9599/3.4=3, ~8227=2...(5) QD1 ILE 52 + QE MET 74 OK 13 70 - 19 - 3.2/9600=3, 3.1/9604=2...(5) QG2 VAL 58 - QE MET 74 lone 7 100 - 7 - 9599/3.4=2 Peak 9606 from cnoeabs.peaks (1.10, 2.00, 17.28 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.59: HG12 ILE 76 + QE MET 74 OK 59 92 - 65 - 2.1/9604=16, 1.8/9602=15...(12) Peak 9607 from cnoeabs.peaks (3.17, 2.00, 17.28 ppm; 4.69 A): 0 out of 3 assignments used, low quality = 0.22: HD3 ARG 19 - QE MET 74 OK 11 96 - 12 - 12327/5.3=9 HD2 ARG 19 - QE MET 74 OK 11 96 - 12 - 12327/5.3=9 HB2 HIS 106 - QE MET 74 lone 6 73 - 8 - 3.0/3367=3, ~3359=1, ~3351=1 Peak 9608 from cnoeabs.peaks (3.33, 2.00, 17.28 ppm; 4.15 A): 0 out of 1 assignment used, low quality = 0.32: HD2 ARG 46 - QE MET 74 OK 32 90 - 36 - 3.0/9601=12...(7) Peak 9609 from cnoeabs.peaks (3.61, 2.00, 17.28 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.66: HA LYS 39 + QE MET 74 OK 66 100 - 66 - 8951=16, 3.0/9601=15...(19) Peak 9610 from cnoeabs.peaks (3.87, 2.00, 17.28 ppm; 3.29 A): 6 out of 11 assignments used, quality = 0.79: HA GLU 43 + QE MET 74 OK 39 96 - 41 - 2.9/9585=12, 3.6/9589=10...(6) HA LEU 38 + QE MET 74 OK 29 100 - 30 - 3.6/3373=5, 1625/3.4=4...(9) HA LYS 40 + QE MET 74 OK 22 92 - 24 - 4.8/1880=4, 1779/9585=2...(9) HA GLU 35 + QE MET 74 OK 20 87 - 23 - 3.6/9585=5, 3.0/6550=3...(6) HA LYS 94 + QE MET 74 OK 12 94 - 13 - 3.7/9603=2 HA2 GLY 100 + QE MET 74 OK 11 94 - 12 - 1.8/10870=6 HA ARG 91 - QE MET 74 lone 6 84 - 7 - HA2 GLY 101 - QE MET 74 lone 6 94 - 6 - HB3 SER 49 - QE MET 74 lone 5 65 - 7 - ~10863=2 HA3 GLY 101 - QE MET 74 lone 2 65 - 4 - HB2 SER 102 - QE MET 74 lone 1 61 - 1 - Peak 9611 from cnoeabs.peaks (3.85, 2.62, 33.04 ppm; 4.93 A): 4 out of 8 assignments used, quality = 0.92: HA ALA 71 + HG3 MET 74 OK 77 99 - 77 - 9552=29, 9551/1.8=22...(12) HA ALA 67 + HG3 MET 74 OK 39 99 - 39 - 2.1/9597=10, 9552=8...(9) HB3 SER 49 + HG3 MET 74 OK 33 97 - 34 - 1.8/10863=7, 9068/3.4=5...(11) HA LYS 12 + HG3 MET 74 OK 19 99 - 20 - 3.6/3365=4, 10860/2.9=3...(7) HA LYS 40 - HG3 MET 74 OK 16 77 - 21 - 3.6/6656=4, 4.8/1875=3...(6) HA2 GLY 100 - HG3 MET 74 OK 14 73 - 19 - ~10870=8, ~10106=3...(4) HA LYS 94 - HG3 MET 74 OK 10 73 - 14 - ~10035=3, 3.7/9597=2...(5) HA2 GLY 101 - HG3 MET 74 lone 5 73 - 7 - Peak 9612 from cnoeabs.peaks (4.16, 2.53, 33.04 ppm; 5.50 A): 3 out of 6 assignments used, quality = 0.96: HA LYS 73 + HG2 MET 74 OK 75 96 - 79 - 3.6/7228=24, 4.8/3330=21...(16) HA GLN 72 + HG2 MET 74 OK 67 94 - 71 - 10848/4.8=14...(15) HA MET 1 + HG2 MET 74 OK 48 98 - 49 - 10862/1.8=7, 3.0/3356=6...(14) HA LYS 13 - HG2 MET 74 OK 39 94 - 41 - 9618/4.8=7, 10848/4.8=5...(11) HB2 SER 59 - HG2 MET 74 OK 24 99 - 24 - 4.6/9411=5, ~10282=4...(7) HA GLU 23 - HG2 MET 74 lone 6 70 - 8 - 9618/4.8=2, ~10457=1 Peak 9613 from cnoeabs.peaks (3.84, 2.53, 33.04 ppm; 5.02 A): 5 out of 5 assignments used, quality = 0.86: HA ALA 71 + HG2 MET 74 OK 72 96 - 75 - 9552/1.8=23, 9551=18...(12) HA ALA 67 + HG2 MET 74 OK 25 73 - 34 - ~9597=8, ~9603=7...(8) HB3 SER 49 + HG2 MET 74 OK 16 61 - 26 - ~10863=6, 9611/1.8=5...(7) HA ALA 22 + HG2 MET 74 OK 14 90 - 16 - 10861/2.9=4, 10448/4.0=3...(7) HA LYS 12 + HG2 MET 74 OK 12 70 - 17 - 3.6/3357=3, 9611/1.8=3...(7) Peak 9614 from cnoeabs.peaks (0.80, 2.53, 33.04 ppm; 4.46 A): 7 out of 9 assignments used, quality = 0.92: QD1 ILE 76 + HG2 MET 74 OK 73 99 - 74 - ~9606=18, 10880=14...(15) QD2 LEU 70 + HG2 MET 74 OK 27 87 - 31 - ~12193=8, 9604/3.4=7...(9) QD2 LEU 2 + HG2 MET 74 OK 26 84 - 31 - 9604/3.4=6, ~9603=6...(8) QD1 LEU 70 + HG2 MET 74 OK 15 57 - 27 - ~12193=8, ~9604=4...(8) QG2 ILE 8 + HG2 MET 74 OK 14 94 - 15 - 3.0/9615=3, 9604/3.4=3...(6) QG2 ILE 52 + HG2 MET 74 OK 13 70 - 18 - 3.1/9615=4, 9598/1.8=4...(6) QG2 ILE 7 + HG2 MET 74 OK 12 100 - 12 - 9604/3.4=3, ~10868=2...(5) QG2 ILE 15 - HG2 MET 74 poor 9 81 - 11 - 4.0/3357=2, 9604/3.4=2...(5) QD2 LEU 57 - HG2 MET 74 lone 7 100 - 7 - 9604/3.4=2 Peak 9615 from cnoeabs.peaks (0.69, 2.53, 33.04 ppm; 4.45 A): 5 out of 9 assignments used, quality = 0.83: QD1 LEU 42 + HG2 MET 74 OK 66 97 - 68 - ~10595=19, ~9598=13...(12) QD1 ILE 52 + HG2 MET 74 OK 19 100 - 19 - ~12317=4, ~9598=3...(6) QD2 LEU 14 + HG2 MET 74 OK 16 84 - 19 - ~9599=6, 9593/4.8=4...(5) QD1 ILE 8 + HG2 MET 74 OK 15 81 - 19 - ~12193=3, 9593/4.8=2...(8) QD2 LEU 6 + HG2 MET 74 OK 13 94 - 14 - ~8227=4, ~9598=4...(4) QD1 LEU 14 - HG2 MET 74 lone 6 65 - 9 - 9605/3.4=2, 4.9/3357=2...(4) QD1 ILE 56 - HG2 MET 74 lone 5 87 - 5 - 9593/4.8=1 QG2 VAL 58 - HG2 MET 74 lone 3 57 - 5 - HG13 ILE 56 - HG2 MET 74 lone 2 61 - 4 - 9593/4.8=1 Peak 9616 from cnoeabs.peaks (1.41, 4.00, 56.72 ppm; 5.68 A): 1 out of 2 assignments used, quality = 0.59: QB ALA 71 + HA GLU 75 OK 59 100 - 60 - 10832=16, 5.0/9619=15...(13) HG12 ILE 7 - HA GLU 75 lone 7 70 - 10 - ~10379=2, ~12221=1 Peak 9619 from cnoeabs.peaks (4.15, 4.00, 56.72 ppm; 4.34 A): 4 out of 6 assignments used, quality = 0.86: HA GLN 72 + HA GLU 75 OK 69 98 - 71 - 5.0/9616=13, 3.0/9559=13...(18) HA LYS 13 + HA GLU 75 OK 39 98 - 40 - 9650/3.5=9, 10833=7...(9) HA MET 1 + HA GLU 75 OK 15 94 - 16 - 9618/2.9=4, ~7239=3...(4) HA GLU 23 + HA GLU 75 OK 15 100 - 14 - 9650/3.5=5, 3.6/3380=2 HB2 SER 59 - HA GLU 75 lone 7 92 - 7 - 9650/3.5=3, 9618/2.9=2 HA LYS 47 - HA GLU 75 lone 6 99 - 7 - 9650/3.5=2 Peak 9621 from cnoeabs.peaks (4.17, 2.17, 36.71 ppm; 5.36 A): 8 out of 14 assignments used, quality = 0.83: HA GLN 72 + HG2 GLU 75 OK 23 65 - 36 - 9618/5.0=8, 10833/4.0=4...(15) HA LYS 73 + HG2 GLU 75 OK 23 100 - 23 - 4.8/10865=6, 9618/5.0=5...(6) HA LYS 73 + HG3 GLU 75 OK 23 99 - 23 - 4.8/10865=6, 9618/5.0=5...(6) HA GLN 72 + HG3 GLU 75 OK 23 64 - 35 - 9618/5.0=8, 10833/4.0=4...(15) HA LYS 13 + HG2 GLU 75 OK 21 65 - 32 - 9618/5.0=6, ~3381=5...(10) HA LYS 13 + HG3 GLU 75 OK 20 64 - 32 - 9618/5.0=6, ~3381=5...(10) HB3 SER 85 + HG2 GLU 75 OK 14 65 - 21 - 1.8/9869=7, ~9869=6...(6) HB3 SER 85 + HG3 GLU 75 OK 13 64 - 21 - 1.8/9869=7, ~9869=6...(6) HA MET 1 - HG2 GLU 75 poor 8 77 - 10 - 9618/5.0=3, 5/3.0=2 HA MET 1 - HG3 GLU 75 poor 8 75 - 10 - 9618/5.0=3, 5/3.0=2 HB2 SER 59 - HG2 GLU 75 lone 4 81 - 4 - 9618/5.0=2 HB2 SER 59 - HG3 GLU 75 lone 4 79 - 5 - 9618/5.0=2 HA GLU 98 - HG2 GLU 75 lone 2 77 - 3 - 11023/4.0=1 HA GLU 98 - HG3 GLU 75 lone 2 75 - 3 - 11023/4.0=1 Peak 9622 from cnoeabs.peaks (4.40, 2.17, 36.71 ppm; 5.50 A): 4 out of 12 assignments used, quality = 0.94: HA MET 74 + HG2 GLU 75 OK 55 100 - 56 - 9624/4.0=14, 9623/3.0=13...(9) HA MET 74 + HG3 GLU 75 OK 55 99 - 56 - 9624/4.0=14, 9623/3.0=13...(9) HA GLN 50 + HG2 GLU 75 OK 45 100 - 45 - 9624/4.0=8, 9623/3.0=8...(15) HA GLN 50 + HG3 GLU 75 OK 45 99 - 45 - 9624/4.0=8, 9623/3.0=8...(15) HA MET 21 - HG2 GLU 75 OK 14 92 - 15 - 9624/4.0=4, 7234/5.0=4 HA MET 21 - HG3 GLU 75 OK 14 90 - 15 - 9624/4.0=4, 7234/5.0=4 HA HIS 106 - HG2 GLU 75 lone 9 98 - 9 - 9624/4.0=2, 7234/5.0=2 HA HIS 106 - HG3 GLU 75 lone 8 97 - 9 - 9624/4.0=2, 7234/5.0=2 HA VAL 32 - HG2 GLU 75 lone 8 92 - 8 - 7234/5.0=2, 9624/4.0=2 HA VAL 32 - HG3 GLU 75 lone 8 90 - 8 - 7234/5.0=2, 9624/4.0=2 HA ALA 25 - HG2 GLU 75 lone 7 87 - 8 - 7234/5.0=2, 9624/4.0=2 HA ALA 25 - HG3 GLU 75 lone 7 85 - 8 - 7234/5.0=2, 9624/4.0=2 Peak 9623 from cnoeabs.peaks (4.39, 2.13, 27.12 ppm; 6.04 A): 3 out of 7 assignments used, quality = 0.78: HA MET 74 + HB2 GLU 75 OK 60 96 - 63 - 3.6/7241=22, 9624/2.9=17...(7) HA GLN 50 + HB2 GLU 75 OK 35 100 - 35 - 9624/2.9=9, 9622/3.0=6...(10) HA MET 21 + HB2 GLU 75 OK 14 73 - 19 - 9624/2.9=5, 7234/4.0=5...(5) HA HIS 106 - HB2 GLU 75 poor 9 87 - 10 - 7234/4.0=3, 9624/2.9=3...(4) HA VAL 32 - HB2 GLU 75 poor 7 73 - 10 - 7234/4.0=3, 9624/2.9=3...(4) HA ALA 25 - HB2 GLU 75 lone 6 65 - 10 - 7234/4.0=3, 9624/2.9=2 HA SER 102 - HB2 GLU 75 lone 3 77 - 4 - Peak 9624 from cnoeabs.peaks (4.40, 4.00, 56.72 ppm; 5.02 A): 3 out of 6 assignments used, quality = 0.77: HA MET 74 + HA GLU 75 OK 59 100 - 59 - 3.0/9625=19, ~7233=13...(9) HA GLN 50 + HA GLU 75 OK 31 98 - 31 - 9623/2.9=6, 7234/2.9=5...(11) HA MET 21 + HA GLU 75 OK 18 97 - 18 - 956/3.5=5, 7234/2.9=5...(6) HA VAL 32 - HA GLU 75 lone 9 97 - 9 - 7234/2.9=3, 9623/2.9=1 HA HIS 106 - HA GLU 75 lone 9 100 - 8 - 7234/2.9=3, 9623/2.9=1 HA ALA 25 - HA GLU 75 lone 8 94 - 9 - 7234/2.9=3, 9623/2.9=1 Peak 9625 from cnoeabs.peaks (7.75, 4.00, 56.72 ppm; 4.85 A): 3 out of 4 assignments used, quality = 0.80: H MET 74 + HA GLU 75 OK 65 100 - 66 - 7233/2.9=23, 9583/3.5=14...(14) H GLU 37 + HA GLU 75 OK 25 96 - 27 - 7233/2.9=11, 9643/3.5=7...(5) H VAL 78 + HA GLU 75 OK 24 99 - 24 - 9643/3.5=9, 7233/2.9=7...(5) H ASN 60 - HA GLU 75 lone 5 61 - 8 - 7233/2.9=2, 9643/3.5=1 Peak 9626 from cnoeabs.peaks (7.75, 0.88, 17.57 ppm; 4.91 A): 3 out of 4 assignments used, quality = 0.94: H VAL 78 + QG2 ILE 76 OK 82 99 - 83 - 3.0/9635=33, 7273/4.3=23...(14) H MET 74 + QG2 ILE 76 OK 57 100 - 57 - 9591/3.2=20, 9583/4.0=14...(9) H GLU 37 + QG2 ILE 76 OK 29 96 - 30 - 5.0/8844=7, 9643/4.0=7...(9) H ASN 60 - QG2 ILE 76 OK 11 61 - 18 - 4.6/9629=6, 4.6/9638=3...(4) Peak 9627 from cnoeabs.peaks (8.04, 0.88, 17.57 ppm; 5.45 A): 2 out of 3 assignments used, quality = 0.48: H LYS 90 + QG2 ILE 76 OK 32 100 - 32 - ~9958=9, 4.9/10883=7...(7) H GLU 17 + QG2 ILE 76 OK 24 61 - 38 - 3.6/9638=10, 2.9/9638=8...(9) H SER 102 - QG2 ILE 76 lone 6 77 - 8 - 3.6/9651=2 Peak 9628 from cnoeabs.peaks (8.50, 0.88, 17.57 ppm; 4.88 A): 4 out of 4 assignments used, quality = 0.91: H ARG 79 + QG2 ILE 76 OK 56 99 - 57 - 3.6/9635=30, 4.6/9626=11...(8) H VAL 54 + QG2 ILE 76 OK 52 84 - 61 - 3.6/9636=27, ~10885=14...(9) H LEU 2 + QG2 ILE 76 OK 48 98 - 49 - 10888/3.2=9, 6014=9...(10) H THR 31 + QG2 ILE 76 OK 17 97 - 18 - 10888/3.2=4, 8346/6106=1...(4) Peak 9629 from cnoeabs.peaks (8.78, 0.88, 17.57 ppm; 5.46 A): 2 out of 2 assignments used, quality = 0.63: H ILE 8 + QG2 ILE 76 OK 53 77 - 68 - 4.6/6106=10, 3.0/286=9...(19) H SER 59 + QG2 ILE 76 OK 21 77 - 28 - 8347/3.2=5, 4.0/9638=4...(8) Peak 9630 from cnoeabs.peaks (8.03, 0.80, 13.65 ppm; 4.29 A): 4 out of 4 assignments used, quality = 0.85: H ARG 46 + QD1 ILE 76 OK 67 94 - 71 - 3.0/9639=18...(17) H GLU 16 + QD1 ILE 76 OK 30 73 - 40 - 3.0/8530=5, ~9640=4...(16) H LYS 90 + QD1 ILE 76 OK 23 81 - 29 - 9627/3.2=8, ~9958=6...(8) H GLY 101 + QD1 ILE 76 OK 15 94 - 16 - 2104/10882=2, 3.0/9668=2...(5) Peak 9631 from cnoeabs.peaks (8.37, 1.09, 26.75 ppm; 5.67 A): 0 out of 4 assignments used, low quality = 0.40: H ILE 93 - HG12 ILE 76 OK 23 97 - 24 - 4.7/7459=8, 4.6/9664=3...(6) H GLU 63 - HG12 ILE 76 OK 12 81 - 15 - ~10745=7, 4.0/9663=5 H GLU 95 - HG12 ILE 76 OK 11 92 - 12 - 3.0/9640=2, 7472/7459=2...(5) H TYR 4 - HG12 ILE 76 lone 5 92 - 5 - ~8139=1 Peak 9632 from cnoeabs.peaks (6.66, 0.88, 17.57 ppm; 5.28 A): 2 out of 2 assignments used, quality = 0.70: HD1 PHE 45 + QG2 ILE 76 OK 45 99 - 46 - 3.7/12099=17...(6) HD2 PHE 45 + QG2 ILE 76 OK 45 99 - 46 - 3.7/12099=17...(6) Peak 9635 from cnoeabs.peaks (5.18, 0.88, 17.57 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.53: HA VAL 78 + QG2 ILE 76 OK 53 87 - 61 - 3.0/9626=15, 9690/2.1=14...(14) Peak 9636 from cnoeabs.peaks (5.04, 0.88, 17.57 ppm; 5.25 A): 0 out of 1 assignment used, low quality = 0.38: HA LYS 53 - QG2 ILE 76 OK 38 94 - 41 - 9671/4.3=22, 3.6/9628=10...(7) Peak 9637 from cnoeabs.peaks (4.55, 0.88, 17.57 ppm; 5.10 A): 0 out of 1 assignment used, low quality = 0.18: HA LYS 33 - QG2 ILE 76 OK 18 84 - 22 - 9682/9655=4, 3.0/9654=4...(7) Peak 9638 from cnoeabs.peaks (4.05, 0.88, 17.57 ppm; 4.23 A): 5 out of 5 assignments used, quality = 0.85: HB2 SER 49 + QG2 ILE 76 OK 54 98 - 55 - 9065=26, 1.8/9651=11...(12) HA GLU 16 + QG2 ILE 76 OK 37 97 - 38 - 3.6/9627=7, 9661/2.1=4...(14) HA GLU 17 + QG2 ILE 76 OK 27 100 - 27 - 2.9/9627=8, 2.9/9654=3...(8) HA LYS 20 + QG2 ILE 76 OK 16 100 - 16 - 9661/2.1=2, 3.0/9654=2...(7) HB3 SER 59 + QG2 ILE 76 OK 15 77 - 19 - 4.0/9629=5, 9405/3.2=3...(6) Peak 9639 from cnoeabs.peaks (4.08, 0.80, 13.65 ppm; 3.87 A): 3 out of 4 assignments used, quality = 0.81: HA ARG 46 + QD1 ILE 76 OK 64 100 - 64 - 3.0/9630=13...(15) HA LYS 66 + QD1 ILE 76 OK 29 100 - 29 - 9511=5, 3.0/9516=3...(10) HB2 SER 49 + QD1 ILE 76 OK 26 70 - 37 - 1.8/9668=8, 9065/3.2=7...(11) HA PRO 86 - QD1 ILE 76 lone 6 77 - 8 - 9853/4.7=2 Peak 9640 from cnoeabs.peaks (4.04, 1.09, 26.75 ppm; 5.70 A): 6 out of 6 assignments used, quality = 0.86: HA GLU 16 + HG12 ILE 76 OK 49 99 - 49 - 9661/3.0=8, 9638/3.2=8...(15) HB2 SER 49 + HG12 ILE 76 OK 37 65 - 57 - ~9071=12, 9638/3.2=12...(9) HA GLU 17 + HG12 ILE 76 OK 26 84 - 31 - ~9627=9, 9638/3.2=6...(9) HB3 SER 59 + HG12 ILE 76 OK 21 100 - 21 - 9405/3.8=8, 9661/3.0=4...(4) HA LYS 20 + HG12 ILE 76 OK 15 87 - 17 - 9661/3.0=4, 9638/3.2=4...(6) HA GLU 95 + HG12 ILE 76 OK 11 70 - 16 - 3.0/9631=8, 10282/9606=3 Peak 9642 from cnoeabs.peaks (6.64, 0.80, 13.65 ppm; 4.54 A): 0 out of 2 assignments used, low quality = 0.39: HD1 PHE 45 - QD1 ILE 76 OK 22 70 - 31 - 3.7/9669=10, 9632/3.2=9...(5) HD2 PHE 45 - QD1 ILE 76 OK 22 70 - 31 - 3.7/9669=10, 9632/3.2=9...(5) Peak 9646 from cnoeabs.peaks (0.70, 1.64, 40.34 ppm; 3.93 A): 6 out of 7 assignments used, quality = 0.90: QD1 ILE 8 + HB ILE 76 OK 47 92 - 51 - 10877/2.1=8, 2.1/3420=8...(21) QD1 LEU 42 + HB ILE 76 OK 46 90 - 52 - 10877/2.1=10...(14) QD2 LEU 14 + HB ILE 76 OK 34 94 - 36 - 626/4.0=7, 10877/2.1=5...(11) QD2 LEU 6 + HB ILE 76 OK 24 84 - 28 - 10877/2.1=4, 220=4...(11) QD1 ILE 52 + HB ILE 76 OK 20 99 - 21 - 10640/2.1=7, 9173/3.0=3...(4) QD1 ILE 56 + HB ILE 76 OK 14 96 - 15 - 10877/2.1=3, 3.0/10672=2...(6) HG13 ILE 56 - HB ILE 76 poor 10 77 - 13 - 3.2/10672=2, ~10877=2 Peak 9648 from cnoeabs.peaks (3.83, 1.64, 40.34 ppm; 4.68 A): 2 out of 4 assignments used, quality = 0.55: HA ALA 71 + HB ILE 76 OK 40 73 - 54 - 2.1/10834=15...(10) HA ALA 22 + HB ILE 76 OK 25 100 - 25 - 9649/4.0=8, 2.1/3422=3...(9) HA SER 97 - HB ILE 76 lone 3 84 - 4 - HB3 SER 102 - HB ILE 76 lone 1 61 - 2 - Peak 9651 from cnoeabs.peaks (3.85, 0.88, 17.57 ppm; 4.28 A): 6 out of 8 assignments used, quality = 0.89: HA ALA 71 + QG2 ILE 76 OK 56 99 - 56 - 10837/3.2=21...(10) HB3 SER 49 + QG2 ILE 76 OK 53 98 - 54 - 1.8/9065=22, 3.9/9046=7...(12) HA LYS 40 + QG2 ILE 76 OK 20 81 - 24 - 9668/3.2=3, 3.6/8868=3...(7) HA LYS 12 + QG2 ILE 76 OK 17 99 - 17 - 9649/4.0=3, 9668/3.2=3...(4) HA ALA 67 + QG2 ILE 76 OK 13 100 - 13 - 10837/3.2=3, 9668/3.2=2...(6) HA LYS 94 + QG2 ILE 76 OK 11 77 - 14 - 9668/3.2=2, ~10887=2, 3.0/9654=2 HA2 GLY 101 - QG2 ILE 76 lone 7 77 - 9 - 3.6/9627=2, ~9630=2, 9668/3.2=2 HA2 GLY 100 - QG2 ILE 76 lone 4 77 - 5 - 9668/3.2=1 Peak 9652 from cnoeabs.peaks (3.19, 0.88, 17.57 ppm; 5.13 A): 2 out of 6 assignments used, quality = 0.95: HD3 ARG 46 + QG2 ILE 76 OK 87 100 - 87 - ~10882=24, 1.8/9019=18...(19) HB2 ASP 77 + QG2 ILE 76 OK 65 84 - 78 - 7269/4.3=27, 3.0/9676=18...(15) HD3 ARG 19 - QG2 ILE 76 OK 26 61 - 42 - 3.6/9654=8, 6.3/3432=7...(11) HD2 ARG 19 - QG2 ILE 76 OK 26 61 - 42 - 3.6/9654=8, 6.3/3432=7...(11) HB3 TRP 92 - QG2 ILE 76 OK 19 100 - 19 - 9991/3.2=6, ~9985=4...(4) HB2 HIS 106 - QG2 ILE 76 lone 4 90 - 4 - Peak 9653 from cnoeabs.peaks (3.00, 0.88, 17.57 ppm; 5.07 A): 4 out of 4 assignments used, quality = 0.92: HB2 SER 9 + QG2 ILE 76 OK 77 99 - 78 - 8322=13, 335/3.2=12...(23) HB2 PHE 45 + QG2 ILE 76 OK 54 84 - 64 - 1.8/12099=20...(10) HB3 ASP 11 + QG2 ILE 76 OK 17 100 - 17 - 12269/3425=2, 331/3.2=2...(6) HE2 LYS 12 + QG2 ILE 76 OK 12 90 - 13 - 6.3/9651=2, ~9669=2...(4) Peak 9654 from cnoeabs.peaks (1.93, 0.88, 17.57 ppm; 4.10 A): 10 out of 12 assignments used, quality = 0.87: HB3 ARG 19 + QG2 ILE 76 OK 40 100 - 40 - 3.9/3432=8, 8516/3.2=5...(15) HB2 GLU 17 + QG2 ILE 76 OK 21 90 - 24 - 4.0/9627=6, 2.9/9638=5...(7) HB2 LYS 33 + QG2 ILE 76 OK 19 84 - 23 - 3.0/9637=22 HB3 LYS 33 + QG2 ILE 76 OK 18 77 - 23 - 3.0/9637=22 HB2 LYS 13 + QG2 ILE 76 OK 16 81 - 20 - 4.6/3425=5, 3.0/3430=2...(7) HB VAL 32 + QG2 ILE 76 OK 15 92 - 16 - 12056/3.2=2, 1396/3.2=1...(5) HB3 LYS 47 + QG2 ILE 76 OK 15 98 - 15 - 4.7/9034=6, ~10352=3, ~9670=1 HB3 LYS 13 + QG2 ILE 76 OK 15 73 - 20 - 4.6/3425=5, 3.0/3430=2...(7) HB3 LYS 20 + QG2 ILE 76 OK 12 99 - 12 - 3.0/9638=3, ~9661=1, 6286/3432=1 HB2 LYS 94 + QG2 ILE 76 OK 11 96 - 12 - 3.0/9651=2, ~9668=1 HB2 MET 1 - QG2 ILE 76 poor 9 90 - 10 - 4.6/9628=5, ~8010=2 HG3 GLU 88 - QG2 ILE 76 lone 7 84 - 9 - 4.9/3425=3, 3893/4.0=2, ~9666=1 Peak 9655 from cnoeabs.peaks (1.78, 0.88, 17.57 ppm; 4.32 A): 3 out of 7 assignments used, quality = 0.94: HG3 ARG 46 + QG2 ILE 76 OK 76 94 - 81 - 10176/3.2=15, ~10882=13...(25) HB VAL 78 + QG2 ILE 76 OK 66 100 - 66 - 3.0/9635=26, 10287=12...(13) HB3 GLU 63 + QG2 ILE 76 OK 27 100 - 27 - 10746/3.2=6, 9660/2.1=4...(7) HG3 ARG 19 - QG2 ILE 76 OK 24 65 - 36 - 4.9/3432=7, 3.0/9654=7...(12) HB2 LYS 66 - QG2 ILE 76 OK 18 87 - 21 - ~9639=3, 9660/2.1=3...(7) HB ILE 56 - QG2 ILE 76 poor 10 77 - 13 - 3.2/10877=2, ~10672=2...(5) HB3 LYS 82 - QG2 ILE 76 lone 4 81 - 5 - Peak 9657 from cnoeabs.peaks (3.21, 1.64, 40.34 ppm; 5.73 A): 2 out of 3 assignments used, quality = 0.96: HB2 ASP 77 + HB ILE 76 OK 83 100 - 83 - 3462/4.4=37, 9672/3.0=17...(13) HD3 ARG 46 + HB ILE 76 OK 79 87 - 91 - ~10882=30, ~10176=18...(18) HB3 TRP 92 - HB ILE 76 OK 18 92 - 19 - 9991/3.2=6, ~9985=5...(4) Peak 9659 from cnoeabs.peaks (1.95, 1.64, 40.34 ppm; 4.84 A): 5 out of 12 assignments used, quality = 0.92: HB3 ARG 46 + HB ILE 76 OK 68 87 - 79 - ~10176=12, 3.0/9660=11...(24) HB3 MET 74 + HB ILE 76 OK 44 77 - 57 - ~9595=16, ~9664=10...(12) HB3 ARG 19 + HB ILE 76 OK 26 65 - 40 - 3.9/3424=10, ~8514=5...(11) HB2 GLU 17 + HB ILE 76 OK 25 98 - 26 - ~9638=5, 2.9/9661=4...(8) HB VAL 32 + HB ILE 76 OK 20 97 - 20 - 12056/3.2=3, 1396/3.0=2...(9) HB3 LYS 73 - HB ILE 76 OK 16 94 - 18 - ~12297=3, 9665/3.0=2...(7) HB2 LYS 24 - HB ILE 76 OK 16 77 - 21 - 4.0/3417=3, ~10352=2...(9) HB3 LYS 24 - HB ILE 76 OK 16 77 - 21 - 4.0/3417=3, ~10352=2...(9) HB2 LYS 73 - HB ILE 76 OK 16 92 - 17 - ~12297=3, 9665/3.0=2...(7) HG3 GLU 88 - HB ILE 76 OK 14 99 - 14 - 4.9/3417=4, 3893/4.0=3...(5) HB3 LYS 20 - HB ILE 76 OK 11 84 - 13 - 3.0/9661=3, ~9638=3...(4) HB2 MET 1 - HB ILE 76 lone 7 98 - 7 - ~8010=3 Peak 9660 from cnoeabs.peaks (1.78, 1.64, 40.34 ppm; 4.99 A): 3 out of 7 assignments used, quality = 0.95: HG3 ARG 46 + HB ILE 76 OK 82 94 - 88 - 10176/3.0=20, ~10882=18...(23) HB VAL 78 + HB ILE 76 OK 60 100 - 61 - ~9635=23, 10287/2.1=14...(10) HB3 GLU 63 + HB ILE 76 OK 30 100 - 30 - 10746/3.2=7, 9655/2.1=5...(7) HG3 ARG 19 - HB ILE 76 OK 27 65 - 42 - 4.9/3424=9, ~9654=5...(14) HB2 LYS 66 - HB ILE 76 OK 24 87 - 27 - ~9639=5, 9514/3.2=4...(9) HB ILE 56 - HB ILE 76 OK 14 77 - 18 - 2.1/10672=3, 3.2/9646=3...(6) HB3 LYS 82 - HB ILE 76 lone 5 81 - 6 - Peak 9661 from cnoeabs.peaks (4.05, 1.64, 40.34 ppm; 6.05 A): 5 out of 5 assignments used, quality = 0.93: HB2 SER 49 + HB ILE 76 OK 57 87 - 67 - 9065/2.1=21, ~9071=16...(10) HA GLU 16 + HB ILE 76 OK 53 100 - 53 - 9638/2.1=12, 9640/3.0=11...(14) HA GLU 17 + HB ILE 76 OK 37 97 - 38 - ~9627=11, 9638/2.1=9...(9) HB3 SER 59 + HB ILE 76 OK 27 94 - 28 - 9405/3.0=9, ~9404=6...(4) HA LYS 20 + HB ILE 76 OK 24 98 - 25 - 9638/2.1=5, 9640/3.0=3...(9) Peak 9663 from cnoeabs.peaks (2.18, 1.09, 26.75 ppm; 5.13 A): 7 out of 12 assignments used, quality = 0.79: HB3 GLU 75 + HG12 ILE 76 OK 31 97 - 32 - 4.1/7256=29, 10864/9591=1 HB2 GLU 63 + HG12 ILE 76 OK 26 77 - 34 - ~10746=7, 4.0/9631=6...(9) HG2 GLU 43 + HG12 ILE 76 OK 24 98 - 25 - ~10608=5, 3.0/9664=5...(8) HB3 GLU 16 + HG12 ILE 76 OK 23 70 - 33 - 3.0/9640=9, ~9638=5...(9) HG3 GLU 35 + HG12 ILE 76 OK 11 81 - 14 - ~10527=1, 7250/4.5=1, 4.1/4016=1 HG2 GLU 35 + HG12 ILE 76 OK 11 81 - 14 - ~10527=1, 7250/4.5=1, 4.1/4016=1 HG3 GLU 75 + HG12 ILE 76 OK 10 96 - 11 - 3401/4.5=8 HG2 GLU 75 - HG12 ILE 76 poor 10 92 - 11 - 3401/4.5=8 HG2 MET 1 - HG12 ILE 76 poor 8 73 - 11 - ~8028=3, ~9670=1, 7250/4.5=1 HG3 PRO 86 - HG12 ILE 76 lone 7 84 - 9 - 7250/4.5=3 HB3 GLN 50 - HG12 ILE 76 lone 6 96 - 6 - ~10629=3 HB2 GLN 72 - HG12 ILE 76 lone 5 61 - 8 - 7251/4.5=2, ~10880=2, ~10841=1 Peak 9664 from cnoeabs.peaks (2.05, 1.09, 26.75 ppm; 4.33 A): 5 out of 11 assignments used, quality = 0.82: HB2 MET 74 + HG12 ILE 76 OK 56 84 - 67 - 4.2/9606=20, 9595=12...(14) HB3 GLU 48 + HG12 ILE 76 OK 35 100 - 35 - ~9038=7, 3.0/3434=6...(12) HB3 GLU 43 + HG12 ILE 76 OK 17 77 - 22 - 10608/2.1=4, 3.0/9663=3...(9) HG12 ILE 93 + HG12 ILE 76 OK 14 87 - 16 - 4.6/9631=7, 3.0/9666=2...(4) HB2 MET 21 + HG12 ILE 76 OK 13 100 - 13 - 8549/9958=2, 9645/4.5=2 HB2 GLU 99 - HG12 ILE 76 lone 3 98 - 3 - HB3 GLU 99 - HG12 ILE 76 lone 2 87 - 2 - HB2 GLU 98 - HG12 ILE 76 lone 2 99 - 2 - HB3 GLU 98 - HG12 ILE 76 lone 2 98 - 2 - HG3 GLU 28 - HG12 ILE 76 lone 1 81 - 2 - HG2 GLU 28 - HG12 ILE 76 lone 1 81 - 2 - Peak 9665 from cnoeabs.peaks (1.96, 1.09, 26.75 ppm; 4.09 A): 3 out of 14 assignments used, quality = 0.94: HB3 ARG 46 + HG12 ILE 76 OK 67 100 - 67 - 3.0/10176=15, ~9639=10...(20) HB3 MET 74 + HG12 ILE 76 OK 62 100 - 62 - 4.2/9606=17, 1.8/9595=14...(13) HB2 ARG 46 + HG12 ILE 76 OK 51 77 - 67 - 3.0/10176=15, ~9639=10...(20) HB2 LYS 73 - HG12 ILE 76 OK 24 100 - 24 - 4.6/9591=7, ~12297=2...(9) HB3 LYS 73 - HG12 ILE 76 OK 24 100 - 24 - 4.6/9591=7, ~12297=2...(10) HB2 LYS 24 - HG12 ILE 76 OK 19 100 - 19 - 10352/2.1=3, 4.0/3433=2...(7) HB3 LYS 24 - HG12 ILE 76 OK 19 100 - 19 - 10352/2.1=3, 4.0/3433=2...(7) HB2 GLU 37 - HG12 ILE 76 OK 15 65 - 23 - 8837/2.1=4, ~8844=3...(9) HG3 GLU 88 - HG12 ILE 76 OK 12 73 - 17 - 4.2/9958=7, 4.9/3433=3...(5) HB2 LYS 47 - HG12 ILE 76 OK 12 94 - 13 - 10352/2.1=4, ~9654=1...(4) HB2 GLU 17 - HG12 ILE 76 OK 10 65 - 15 - 2.9/9640=3, ~9638=2...(8) HB VAL 32 - HG12 ILE 76 lone 5 61 - 9 - 9659/3.0=1, 12056/2.1=1 QE MET 1 - HG12 ILE 76 lone 4 70 - 6 - 8028/2.1=2 HB2 MET 1 - HG12 ILE 76 lone 3 65 - 5 - ~8010=2, 3.0/9663=1 Peak 9666 from cnoeabs.peaks (1.80, 1.09, 26.75 ppm; 4.71 A): 3 out of 7 assignments used, quality = 0.97: HB2 LEU 42 + HG12 ILE 76 OK 76 99 - 77 - 3.1/9667=15, ~10884=12...(15) HG3 ARG 46 + HG12 ILE 76 OK 66 77 - 85 - ~10882=20, 10176=16...(25) HB2 LYS 39 + HG12 ILE 76 OK 64 99 - 65 - 8956/2.1=12, ~10569=7...(24) HB2 LYS 90 - HG12 ILE 76 OK 33 92 - 36 - 3.0/9958=10, 4.1/7444=7...(8) HB2 GLU 88 - HG12 ILE 76 OK 25 97 - 26 - 3.0/9958=11, 3.9/3433=5...(6) HB ILE 93 - HG12 ILE 76 OK 24 100 - 24 - 3.9/9631=10, 3.0/9664=3...(7) HB2 GLU 104 - HG12 ILE 76 lone 5 97 - 5 - Peak 9667 from cnoeabs.peaks (0.69, 1.09, 26.75 ppm; 4.09 A): 4 out of 6 assignments used, quality = 0.79: QD1 LEU 42 + HG12 ILE 76 OK 54 100 - 55 - 10877/3.2=8, ~10884=6...(14) QD1 LEU 14 + HG12 ILE 76 OK 30 92 - 33 - 618/4.5=6, 12014/1.8=5...(11) QD2 LEU 6 + HG12 ILE 76 OK 20 100 - 20 - 10877/3.2=3, 220/3.0=3...(8) QD1 ILE 52 + HG12 ILE 76 OK 17 97 - 18 - 10640/3.2=6, 9173/3.8=3 QG2 VAL 58 - HG12 ILE 76 lone 6 87 - 7 - ~10702=1 QD1 ILE 56 - HG12 ILE 76 lone 6 57 - 10 - 10877/3.2=2, 9646/3.0=2 Peak 9668 from cnoeabs.peaks (3.86, 0.80, 13.65 ppm; 4.23 A): 7 out of 9 assignments used, quality = 0.90: HB3 SER 49 + QD1 ILE 76 OK 51 100 - 51 - ~9065=11, 9071/3.2=10...(12) HA ALA 71 + QD1 ILE 76 OK 44 81 - 54 - 10837/2.1=17...(10) HA LYS 40 + QD1 ILE 76 OK 27 99 - 27 - 9651/3.2=3, 10875/2.1=2...(8) HA LYS 12 + QD1 ILE 76 OK 20 99 - 20 - 9651/3.2=2, 384/2.1=2...(7) HA LYS 94 + QD1 ILE 76 OK 19 98 - 19 - 3.0/10887=4, 3.7/10286=2...(5) HA ALA 67 + QD1 ILE 76 OK 15 98 - 15 - 2.1/10286=3, 10837/2.1=2 HA2 GLY 101 + QD1 ILE 76 OK 12 98 - 12 - 3.0/9630=3 HA2 GLY 100 - QD1 ILE 76 lone 9 98 - 9 - 3.6/9630=3 HA LEU 38 - QD1 ILE 76 poor 9 81 - 11 - 10875/2.1=1 Peak 9669 from cnoeabs.peaks (2.97, 0.80, 13.65 ppm; 3.72 A): 3 out of 10 assignments used, quality = 0.71: HB3 PHE 45 + QD1 ILE 76 OK 43 99 - 43 - 3.7/9642=9, 3.7/9642=9...(8) HB2 PHE 45 + QD1 ILE 76 OK 36 90 - 40 - 3.7/9642=9, 3.7/9642=9...(7) HB2 SER 9 + QD1 ILE 76 OK 21 61 - 35 - 3.0/3450=6, ~3434=3...(15) HE3 LYS 12 - QD1 ILE 76 lone 8 97 - 8 - HE2 LYS 13 - QD1 ILE 76 lone 7 87 - 8 - 3.8/10394=3, 3.8/10395=1 HE2 LYS 47 - QD1 ILE 76 lone 7 100 - 7 - 4.9/10352=2 HE3 LYS 47 - QD1 ILE 76 lone 7 100 - 7 - 4.9/10352=2 HE3 LYS 13 - QD1 ILE 76 lone 7 81 - 8 - 3.8/10394=3, 3.8/10395=1 HE2 LYS 24 - QD1 ILE 76 lone 6 92 - 6 - 4.9/10352=1, 4.9/10352=1 HE3 LYS 24 - QD1 ILE 76 lone 6 92 - 6 - 4.9/10352=1, 4.9/10352=1 Peak 9670 from cnoeabs.peaks (1.97, 0.80, 13.65 ppm; 3.36 A): 4 out of 10 assignments used, quality = 0.91: HB2 ARG 46 + QD1 ILE 76 OK 61 100 - 61 - 3.6/10882=12...(20) HB3 ARG 46 + QD1 ILE 76 OK 52 87 - 60 - 3.6/10882=12...(19) HB3 MET 74 + QD1 ILE 76 OK 40 94 - 43 - ~9595=7, 2.9/9614=7...(11) HB2 GLU 37 + QD1 ILE 76 OK 21 98 - 22 - 8837=6, 3.0/10878=3...(8) HB2 LYS 73 - QD1 ILE 76 OK 15 81 - 19 - 4.6/9592=2, 3.0/12297=2...(10) HB2 LYS 24 - QD1 ILE 76 OK 15 94 - 15 - 10352=2, 1.8/10352=2...(6) HB3 LYS 24 - QD1 ILE 76 OK 15 94 - 15 - 10352=2, 1.8/10352=2...(6) HB2 LYS 47 - QD1 ILE 76 OK 14 100 - 14 - 10352=3, 4.7/9035=3 HB3 LYS 73 - QD1 ILE 76 OK 14 77 - 18 - 4.6/9592=2, 3.0/12297=2...(10) QE MET 1 - QD1 ILE 76 lone 10 99 - 10 - 8028=2, 5.3/8010=1 Peak 9672 from cnoeabs.peaks (4.42, 3.21, 40.23 ppm; 4.97 A): 4 out of 8 assignments used, quality = 0.88: HA ILE 76 + HB2 ASP 77 OK 67 96 - 70 - 3.6/3462=36...(10) HA VAL 32 + HB2 ASP 77 OK 37 94 - 40 - ~11114=17, 3.0/9679=7...(8) HA MET 74 + HB2 ASP 77 OK 28 70 - 40 - 3.0/3466=8, ~7229=7...(9) HA SER 9 + HB2 ASP 77 OK 18 94 - 19 - 7262/3.9=6, 10770/1.8=4...(6) HA GLU 48 - HB2 ASP 77 lone 7 96 - 7 - 7262/3.9=2, 10770/1.8=1 HA MET 21 - HB2 ASP 77 lone 5 94 - 5 - 7262/3.9=1, 4.4/9674=1 HA ALA 25 - HB2 ASP 77 lone 3 97 - 3 - HA HIS 106 - HB2 ASP 77 lone 1 84 - 2 - Peak 9673 from cnoeabs.peaks (5.02, 3.21, 40.23 ppm; 4.25 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9674 from cnoeabs.peaks (1.44, 3.21, 40.23 ppm; 4.30 A): 6 out of 15 assignments used, quality = 0.80: HG13 ILE 76 + HB2 ASP 77 OK 50 99 - 50 - 9675/3.0=9, 3.0/9657=9...(10) HD2 LYS 53 + HB2 ASP 77 OK 28 61 - 46 - 3.6/10892=13...(10) HB2 LEU 38 + HB2 ASP 77 OK 20 77 - 25 - 3.1/10894=9, ~10548=4...(7) HG LEU 38 + HB2 ASP 77 OK 15 61 - 24 - 2.1/10894=10, ~10548=5...(7) HG12 ILE 7 + HB2 ASP 77 OK 10 73 - 14 - 7266/3.9=3, 9683/4.4=2...(5) HG3 LYS 39 + HB2 ASP 77 OK 10 100 - 10 - 7266/3.9=3, 3.0/10893=2 HG LEU 29 - HB2 ASP 77 lone 8 99 - 8 - 7266/3.9=3, 9675/3.0=2 QB ALA 22 - HB2 ASP 77 lone 6 99 - 6 - 7266/3.9=2 HG2 LYS 13 - HB2 ASP 77 lone 5 92 - 6 - 7266/3.9=2 HG3 ARG 91 - HB2 ASP 77 lone 5 87 - 6 - 7266/3.9=2, 9675/3.0=1 HG2 LYS 20 - HB2 ASP 77 lone 5 70 - 6 - 1.8/10893=1 HG13 ILE 52 - HB2 ASP 77 lone 4 70 - 5 - 3.0/10893=2 HG2 LYS 12 - HB2 ASP 77 lone 3 99 - 3 - HB2 LEU 27 - HB2 ASP 77 lone 2 70 - 3 - HD2 LYS 82 - HB2 ASP 77 lone 1 61 - 2 - Peak 9675 from cnoeabs.peaks (1.44, 4.57, 54.07 ppm; 5.02 A): 3 out of 15 assignments used, quality = 0.93: HG13 ILE 76 + HA ASP 77 OK 88 99 - 89 - 3.2/9676=19, ~7265=18...(19) HB2 LEU 38 + HA ASP 77 OK 22 77 - 29 - ~10894=7, 9674/3.0=4...(9) HD2 LYS 53 + HA ASP 77 OK 21 61 - 34 - ~12124=8, ~12122=7...(7) HG12 ILE 7 - HA ASP 77 OK 19 73 - 26 - 7266/3.0=5, ~7264=4...(8) HG LEU 38 - HA ASP 77 OK 18 61 - 29 - ~10894=9, ~10548=5...(7) HG LEU 29 - HA ASP 77 OK 17 99 - 17 - 7266/3.0=5, ~8691=4...(5) HG3 LYS 39 - HA ASP 77 OK 15 100 - 15 - 7266/3.0=4, 9674/3.0=2...(6) HG3 ARG 91 - HA ASP 77 OK 11 87 - 13 - ~7265=7, 7266/3.0=3, 9674/3.0=1 QB ALA 22 - HA ASP 77 lone 8 99 - 8 - 7266/3.0=3, 9674/3.0=1 HG2 LYS 13 - HA ASP 77 lone 7 92 - 8 - 7266/3.0=3, 9683/3.6=2 HG13 ILE 52 - HA ASP 77 lone 5 70 - 8 - ~10897=3, ~10893=2 HG2 LYS 12 - HA ASP 77 lone 4 99 - 4 - 7266/3.0=1 HB2 LEU 27 - HA ASP 77 lone 3 70 - 4 - HG2 LYS 20 - HA ASP 77 lone 3 70 - 4 - ~10893=1, 9674/3.0=1 HD2 LYS 82 - HA ASP 77 lone 1 61 - 2 - Peak 9676 from cnoeabs.peaks (0.87, 4.57, 54.07 ppm; 4.48 A): 6 out of 7 assignments used, quality = 0.92: QG2 ILE 76 + HA ASP 77 OK 82 94 - 87 - 3432/3.0=23, ~3424=16...(24) QD2 LEU 64 + HA ASP 77 OK 22 87 - 26 - 2.1/9677=6, 10894/3.0=6...(8) QD1 LEU 38 + HA ASP 77 OK 17 81 - 21 - 10894/3.0=6, 10548/3.0=4...(7) HG13 ILE 8 + HA ASP 77 OK 13 84 - 16 - 7264/3.0=5, ~10897=4...(5) HG13 ILE 7 + HA ASP 77 OK 11 61 - 18 - 7264/3.0=5, ~7266=3...(6) QD1 LEU 2 + HA ASP 77 OK 11 96 - 11 - 7264/3.0=4, 10898/3.6=2...(4) QD1 LEU 103 - HA ASP 77 lone 6 92 - 6 - 10894/3.0=2, 10898/3.6=1 Peak 9677 from cnoeabs.peaks (0.75, 4.57, 54.07 ppm; 4.54 A): 4 out of 10 assignments used, quality = 0.83: QG1 VAL 78 + HA ASP 77 OK 72 100 - 72 - 4.0/7274=37...(9) QD1 LEU 64 + HA ASP 77 OK 24 98 - 25 - ~10894=7, 2.1/9676=5...(9) QD2 LEU 42 + HA ASP 77 OK 10 61 - 17 - ~10897=3, ~10594=3...(7) HG13 ILE 15 + HA ASP 77 OK 10 97 - 10 - ~10415=5, ~7267=2, 7280/3.6=1 QG1 VAL 54 - HA ASP 77 poor 9 81 - 11 - 7280/3.6=7, 7287/10331=1 QD1 ILE 15 - HA ASP 77 lone 8 87 - 10 - ~10415=5, ~7267=2 HG3 ARG 81 - HA ASP 77 lone 4 96 - 5 - 7280/3.6=1, 7287/10331=1 QG2 ILE 93 - HA ASP 77 lone 4 100 - 4 - HG13 ILE 93 - HA ASP 77 lone 3 99 - 3 - QD2 LEU 27 - HA ASP 77 lone 3 65 - 4 - Peak 9678 from cnoeabs.peaks (5.04, 2.63, 40.23 ppm; 4.44 A): 2 out of 2 assignments used, quality = 0.60: HA LYS 53 + HB3 ASP 77 OK 51 100 - 52 - 9671/3.9=19, ~10892=12...(9) HA LYS 53 + HB3 ASP 65 OK 18 86 - 21 - 3.6/9241=5, ~2856=3...(9) Peak 9679 from cnoeabs.peaks (8.47, 3.21, 40.23 ppm; 5.83 A): 4 out of 6 assignments used, quality = 0.92: H LYS 53 + HB2 ASP 77 OK 72 99 - 72 - ~9678=27, 4.7/9242=26...(8) H VAL 32 + HB2 ASP 77 OK 45 94 - 48 - 11114/3.0=34, 3.0/9672=9...(4) H VAL 54 + HB2 ASP 77 OK 30 61 - 49 - 4.4/10892=21, 9242=16...(5) H ILE 7 + HB2 ASP 77 OK 24 84 - 29 - 4.7/10890=18...(4) H ALA 67 - HB2 ASP 77 lone 8 94 - 9 - 9680/1.8=2 H LEU 29 - HB2 ASP 77 lone 4 57 - 6 - 5.0/9674=2 Peak 9680 from cnoeabs.peaks (8.48, 2.63, 40.23 ppm; 4.93 A): 4 out of 12 assignments used, quality = 0.96: H VAL 54 + HB3 ASP 77 OK 72 99 - 73 - 9242/1.8=41, 3.6/9678=25...(6) H ALA 67 + HB3 ASP 65 OK 62 83 - 74 - 9523/1.8=32, 4.7/7067=22...(9) H VAL 32 + HB3 ASP 77 OK 47 99 - 47 - 11114/3.0=30, ~9672=5...(7) H LYS 53 + HB3 ASP 77 OK 34 65 - 52 - 3.0/9678=28, 4.7/9241=12...(7) H ARG 79 - HB3 ASP 77 OK 30 81 - 38 - 4.6/7276=19...(5) H VAL 54 - HB3 ASP 65 OK 27 83 - 32 - 3.6/9678=9, 9241=7...(7) H ALA 67 - HB3 ASP 77 OK 20 99 - 21 - 4.7/7067=6, 7082/7056=2...(8) H VAL 32 - HB3 ASP 65 OK 20 83 - 24 - 7077/4.6=6, 10772/3.0=4...(7) H LYS 53 - HB3 ASP 65 OK 15 50 - 29 - 3.0/9678=10, 4.7/9241=5...(8) H ARG 79 - HB3 ASP 65 poor 10 63 - 15 - 4.6/7276=4, 7058/4.0=2...(6) H THR 31 - HB3 ASP 77 lone 6 90 - 6 - 7281/4.4=1, 2392/9678=1 H THR 31 - HB3 ASP 65 lone 5 72 - 7 - 7077/4.6=2, 7058/4.0=1 Peak 9682 from cnoeabs.peaks (4.55, 1.78, 35.29 ppm; 4.95 A): 0 out of 1 assignment used, low quality = 0.20: HA LYS 33 - HB VAL 78 OK 20 84 - 24 - 10903/2.1=13, 3.9/9686=4...(5) Peak 9685 from cnoeabs.peaks (1.40, 1.78, 35.29 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.72: QB ALA 71 + HB VAL 78 OK 72 98 - 73 - 10835=36, 10292/2.1=20...(9) Peak 9686 from cnoeabs.peaks (1.55, 1.78, 35.29 ppm; 4.65 A): 6 out of 9 assignments used, quality = 0.89: HG3 ARG 79 + HB VAL 78 OK 47 81 - 58 - 4.7/7285=15, 9689/3.0=9...(15) HG2 ARG 79 + HB VAL 78 OK 45 77 - 58 - 4.7/7285=15, ~12197=8...(15) HG2 LYS 33 + HB VAL 78 OK 28 100 - 28 - 3.9/9682=25, 9689/3.0=1 HG12 ILE 56 + HB VAL 78 OK 27 65 - 42 - 9689/3.0=6, 1.8/3481=5...(18) HB2 LEU 3 + HB VAL 78 OK 16 99 - 16 - 8108/2.1=3, 9689/3.0=3...(6) HD3 LYS 82 + HB VAL 78 OK 14 70 - 21 - ~9761=3, 9689/3.0=2...(11) HD3 LYS 53 - HB VAL 78 lone 9 100 - 9 - 2458/4.4=4, 9689/3.0=2 HG3 ARG 30 - HB VAL 78 lone 5 61 - 8 - 7292/4.4=4 HB3 GLU 28 - HB VAL 78 lone 2 81 - 2 - Peak 9687 from cnoeabs.peaks (3.82, 1.78, 35.29 ppm; 5.55 A): 4 out of 5 assignments used, quality = 0.72: HA LYS 68 + HB VAL 78 OK 34 70 - 49 - 10904/2.1=16...(9) HA SER 97 + HB VAL 78 OK 28 98 - 29 - 10904/2.1=11...(5) HA ARG 19 + HB VAL 78 OK 26 84 - 31 - 10904/2.1=9, 3.0/10349=7...(6) HA ALA 22 + HB VAL 78 OK 20 99 - 20 - 10904/2.1=6, 10905/2.1=5...(6) HB3 SER 102 - HB VAL 78 lone 5 87 - 6 - 10904/2.1=2, 10905/2.1=2 Peak 9688 from cnoeabs.peaks (1.41, 5.19, 58.80 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.84: QB ALA 71 + HA VAL 78 OK 79 100 - 79 - 9685/3.0=38...(11) HG12 ILE 7 + HA VAL 78 OK 25 81 - 31 - 10292/3.2=8, 10290/3.2=6...(10) Peak 9689 from cnoeabs.peaks (1.55, 5.19, 58.80 ppm; 4.71 A): 6 out of 9 assignments used, quality = 0.91: HG3 ARG 79 + HA VAL 78 OK 54 81 - 67 - 4.7/7284=33...(15) HG2 ARG 79 + HA VAL 78 OK 52 77 - 67 - 4.7/7284=33...(15) HG12 ILE 56 + HA VAL 78 OK 36 65 - 56 - 4.9/9300=21, 1.8/3475=7...(19) HB2 LEU 3 + HA VAL 78 OK 16 99 - 16 - 6892/11101=3, 9686/3.0=3...(7) HD3 LYS 82 + HA VAL 78 OK 13 70 - 19 - 3.5/3474=4, 9686/3.0=2...(10) HD3 LYS 53 + HA VAL 78 OK 12 100 - 12 - 2458/11101=5, 2458/3.6=4 HG2 LYS 33 - HA VAL 78 lone 8 100 - 8 - 9686/3.0=5 HG3 ARG 30 - HA VAL 78 lone 6 61 - 10 - 7292/3.6=4, 3.0/12195=2 HB3 GLU 28 - HA VAL 78 lone 2 81 - 3 - 6892/11101=1 Peak 9690 from cnoeabs.peaks (1.63, 5.19, 58.80 ppm; 4.83 A): 3 out of 6 assignments used, quality = 0.64: HB ILE 76 + HA VAL 78 OK 42 70 - 61 - 2.1/9635=28, ~9626=10...(13) HG2 LYS 68 + HA VAL 78 OK 25 77 - 33 - 2.9/10348=5, ~10351=5...(13) HD3 LYS 39 + HA VAL 78 OK 17 81 - 21 - ~10289=2, 10291/3.2=2...(9) HD2 LYS 94 - HA VAL 78 lone 4 100 - 4 - HB2 LYS 40 - HA VAL 78 lone 2 61 - 3 - HG3 LYS 47 - HA VAL 78 lone 2 99 - 2 - Peak 9693 from cnoeabs.peaks (0.41, 1.60, 31.20 ppm; 4.12 A): 0 out of 1 assignment used, low quality = 0.39: HG2 ARG 81 - HB2 ARG 79 OK 39 84 - 46 - 9716/4.6=12, 9696/3.8=11...(7) Peak 9694 from cnoeabs.peaks (0.40, 1.65, 31.20 ppm; 4.69 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9695 from cnoeabs.peaks (0.43, 1.53, 26.76 ppm; 3.64 A): 4 out of 6 assignments used, quality = 0.85: QD1 LEU 55 + HG3 ARG 79 OK 40 94 - 43 - 9251=9, 9251/1.8=8...(9) QD1 LEU 55 + HG2 ARG 79 OK 40 94 - 43 - 9251=10, 9251/1.8=7...(9) HG2 ARG 81 + HG3 ARG 79 OK 37 100 - 37 - 9693/3.0=18, 9692/4.7=7...(8) HG2 ARG 81 + HG2 ARG 79 OK 36 100 - 36 - 9693/3.0=18, 9692/4.7=7...(8) QD1 LEU 55 - HG3 ARG 30 lone 5 54 - 9 - 9251=2, 9254/3.0=1 HG2 ARG 81 - HG3 ARG 30 lone 4 62 - 6 - 9693/3510=1 Peak 9696 from cnoeabs.peaks (0.41, 3.07, 43.09 ppm; 4.44 A): 2 out of 2 assignments used, quality = 0.48: HG2 ARG 81 + HD2 ARG 79 OK 28 61 - 46 - 9693/3.8=28, 9695/3.0=4...(11) HG2 ARG 81 + HD3 ARG 79 OK 27 60 - 46 - 9693/3.8=28, 9695/3.0=4...(11) Peak 9698 from cnoeabs.peaks (9.20, 1.60, 31.20 ppm; 6.09 A): 2 out of 2 assignments used, quality = 0.72: H ILE 56 + HB2 ARG 79 OK 63 96 - 66 - 9697/4.1=30...(11) H THR 84 + HB2 ARG 79 OK 26 99 - 26 - 11119/4.6=16, 9697/4.1=8 Peak 9699 from cnoeabs.peaks (9.17, 1.65, 31.20 ppm; 6.24 A): 0 out of 1 assignment used, low quality = 0.00: H GLU 35 - HB3 ARG 79 lone 7 96 - 8 - 4.6/8780=1, 9697/4.1=1 Peak 9700 from cnoeabs.peaks (7.04, 3.07, 43.09 ppm; 3.94 A): 4 out of 4 assignments used, quality = 0.63: HD2 PHE 96 + HD2 ARG 79 OK 22 97 - 23 - 2.5/10912=7, ~10912=5...(8) HD1 PHE 96 + HD2 ARG 79 OK 22 98 - 23 - 2.5/10912=7, ~10912=5...(8) HD2 PHE 96 + HD3 ARG 79 OK 22 98 - 22 - 2.5/10912=7, ~10912=5...(8) HD1 PHE 96 + HD3 ARG 79 OK 22 99 - 22 - 2.5/10912=7, ~10912=5...(8) Peak 9701 from cnoeabs.peaks (9.20, 5.33, 59.69 ppm; 3.83 A): 3 out of 4 assignments used, quality = 0.77: H ILE 56 + HA THR 80 OK 60 84 - 72 - 9299=24, 3.8/9302=16...(10) H THR 84 + HA THR 80 OK 33 100 - 33 - 10914/3.2=9, 9753/3.6=8...(7) H ILE 56 + HA ILE 52 OK 14 40 - 35 - 9299=11, 3.8/9302=6...(10) H THR 84 - HA ILE 52 lone 5 55 - 9 - 9830/4.1=2, 10914/3570=1...(4) Peak 9702 from cnoeabs.peaks (9.19, 3.68, 69.77 ppm; 5.35 A): 2 out of 3 assignments used, quality = 0.93: H ILE 56 + HB THR 80 OK 85 99 - 86 - 9298/4.4=32, 9299/3.0=31...(14) H THR 84 + HB THR 80 OK 56 97 - 57 - 10914/2.1=20...(10) H GLU 35 - HB THR 80 lone 6 61 - 10 - 4.6/9703=4 Peak 9703 from cnoeabs.peaks (8.18, 3.68, 69.77 ppm; 5.52 A): 2 out of 3 assignments used, quality = 0.74: H LYS 68 + HB THR 80 OK 70 94 - 75 - 9529/2.1=28...(14) H ASP 36 + HB THR 80 OK 13 96 - 14 - 3021/10788=2, 4.6/9702=1 H GLU 43 - HB THR 80 lone 5 73 - 7 - 3021/10788=1 Peak 9704 from cnoeabs.peaks (7.93, 3.68, 69.77 ppm; 6.06 A): 1 out of 2 assignments used, quality = 0.76: H ASP 65 + HB THR 80 OK 76 96 - 79 - 9706/2.1=46...(11) H GLN 72 - HB THR 80 poor 10 57 - 17 - 2849/10244=4...(5) Peak 9705 from cnoeabs.peaks (8.21, 0.98, 22.13 ppm; 4.21 A): 0 out of 4 assignments used, low quality = 0.12: H GLU 104 - QG2 THR 80 OK 12 94 - 13 - 4.0/9913=3, 4.9/9728=2...(4) H PHE 96 - QG2 THR 80 lone 4 99 - 5 - H GLU 43 - QG2 THR 80 lone 4 81 - 5 - H SER 97 - QG2 THR 80 lone 3 94 - 4 - Peak 9706 from cnoeabs.peaks (7.93, 0.98, 22.13 ppm; 5.30 A): 1 out of 1 assignment used, quality = 0.69: H ASP 65 + QG2 THR 80 OK 69 87 - 79 - 9704/2.1=27...(17) Peak 9707 from cnoeabs.peaks (8.50, 0.98, 22.13 ppm; 4.55 A): 4 out of 4 assignments used, quality = 0.87: H ARG 79 + QG2 THR 80 OK 72 99 - 73 - 4.6/3569=20, 3.0/9711=18...(19) H LEU 2 + QG2 THR 80 OK 33 98 - 33 - 8044/3.2=12, ~8045=6...(9) H THR 31 + QG2 THR 80 OK 20 97 - 20 - 7297/4.0=5, 9309/9734=3...(6) H VAL 54 + QG2 THR 80 OK 14 84 - 16 - 3483/10288=3, 7297/4.0=2...(5) Peak 9710 from cnoeabs.peaks (4.35, 3.68, 69.77 ppm; 5.00 A): 3 out of 3 assignments used, quality = 0.94: HA ARG 81 + HB THR 80 OK 86 96 - 90 - 3.0/3568=43, ~3573=30...(16) HA ASN 26 + HB THR 80 OK 41 100 - 41 - 9712/2.1=26, 7314/4.4=7...(6) HA ASP 61 + HB THR 80 OK 26 90 - 29 - 3.6/3564=7, 7314/4.4=6...(6) Peak 9711 from cnoeabs.peaks (4.71, 0.98, 22.13 ppm; 4.37 A): 2 out of 2 assignments used, quality = 0.86: HA ARG 79 + QG2 THR 80 OK 67 100 - 67 - 7298/4.0=28, 3.0/9707=16...(14) HA LYS 82 + QG2 THR 80 OK 57 90 - 64 - 9740/4.2=12, 11121/2.1=9...(19) Peak 9712 from cnoeabs.peaks (4.34, 0.98, 22.13 ppm; 5.21 A): 0 out of 1 assignment used, low quality = 0.19: HA ASN 26 - QG2 THR 80 OK 19 77 - 24 - 9710/2.1=8, 9483/10762=5...(5) Peak 9713 from cnoeabs.peaks (4.67, 5.33, 59.69 ppm; 4.79 A): 2 out of 4 assignments used, quality = 0.64: HA LEU 55 + HA THR 80 OK 55 100 - 55 - 3.6/9299=26, 4.0/9258=15...(9) HA LEU 55 + HA ILE 52 OK 21 55 - 38 - 3.6/9299=12, 4.0/9258=6...(10) HA LEU 27 - HA THR 80 poor 9 77 - 11 - ~10195=2, 6915/9299=2...(5) HA LEU 27 - HA ILE 52 poor 5 36 - 14 - ~1194=2, 1186/3.2=1...(6) Peak 9714 from cnoeabs.peaks (4.34, 5.33, 59.69 ppm; 5.16 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9717 from cnoeabs.peaks (2.89, 3.68, 69.77 ppm; 5.22 A): 5 out of 5 assignments used, quality = 0.65: HE3 LYS 39 + HB THR 80 OK 25 90 - 28 - 3.0/9720=6, 3.0/12322=4...(8) HE2 LYS 66 + HB THR 80 OK 22 97 - 23 - 4.7/9719=4, ~10199=4...(7) HE2 LYS 39 + HB THR 80 OK 19 70 - 27 - 3.0/9720=6, 3.0/12322=4...(8) HE3 LYS 66 + HB THR 80 OK 17 84 - 20 - 4.7/9719=4, 10199/2.1=4...(5) HB2 ASN 60 + HB THR 80 OK 12 99 - 12 - 9437/4.0=5, 10199/2.1=2 Peak 9718 from cnoeabs.peaks (1.85, 3.68, 69.77 ppm; 4.78 A): 4 out of 9 assignments used, quality = 0.92: HB2 LYS 68 + HB THR 80 OK 60 73 - 82 - 4.0/9703=18...(16) HB3 LYS 68 + HB THR 80 OK 58 70 - 84 - 4.0/9703=18...(16) HB3 LYS 66 + HB THR 80 OK 33 97 - 34 - 10777/9704=7, 9731/2.1=7...(8) HB3 LYS 39 + HB THR 80 OK 31 96 - 33 - 4.9/9717=5, 3.6/9720=5...(9) HB VAL 5 - HB THR 80 OK 18 97 - 18 - ~8179=7, 9731/2.1=4...(4) HB2 LYS 12 - HB THR 80 OK 13 92 - 14 - 4.2/8389=4, 9731/2.1=2...(4) HB3 LYS 12 - HB THR 80 OK 12 87 - 14 - 4.2/8389=4, 9731/2.1=2, ~9731=1 HB2 LYS 53 - HB THR 80 poor 10 84 - 11 - 9731/2.1=2, 9190/9726=2...(4) HB3 GLU 104 - HB THR 80 poor 9 73 - 13 - ~9913=5, 9731/2.1=4, ~9728=3 Peak 9719 from cnoeabs.peaks (1.75, 3.68, 69.77 ppm; 4.23 A): 5 out of 6 assignments used, quality = 0.95: HB ILE 56 + HB THR 80 OK 82 94 - 87 - ~9734=28, 9302/3.0=21...(18) HB3 LYS 82 + HB THR 80 OK 47 92 - 51 - 3.0/11121=14, 9729/2.1=9...(11) HB2 LYS 66 + HB THR 80 OK 24 87 - 27 - 9729/2.1=5, 1.8/9718=4...(8) HD2 LYS 90 + HB THR 80 OK 20 77 - 26 - 9729/2.1=5, 2.9/3947=3...(10) HG3 ARG 19 + HB THR 80 OK 11 98 - 11 - 9729/2.1=4, 10293/3.0=3 HB2 GLU 28 - HB THR 80 lone 2 87 - 2 - Peak 9720 from cnoeabs.peaks (1.63, 3.68, 69.77 ppm; 3.91 A): 4 out of 9 assignments used, quality = 0.92: HG2 LYS 68 + HB THR 80 OK 67 94 - 71 - 10256/2.1=17, 10788=12...(18) HD3 LYS 68 + HB THR 80 OK 44 65 - 67 - 3.0/10788=12, ~10256=10...(18) HD2 LYS 68 + HB THR 80 OK 41 61 - 67 - 3.0/10788=12, ~10256=10...(18) HD3 LYS 39 + HB THR 80 OK 28 96 - 30 - 3.0/9717=5, 3.0/9717=4...(11) HB3 LEU 6 - HB THR 80 lone 6 77 - 8 - 9730/2.1=2, 8236/9323=1 HB2 LYS 40 - HB THR 80 lone 6 84 - 7 - HD2 LYS 94 - HB THR 80 lone 6 94 - 6 - HB ILE 76 - HB THR 80 lone 5 90 - 6 - 9730/2.1=1 HG3 LYS 47 - HB THR 80 lone 2 90 - 2 - Peak 9721 from cnoeabs.peaks (1.47, 3.68, 69.77 ppm; 4.24 A): 7 out of 15 assignments used, quality = 0.94: HG LEU 64 + HB THR 80 OK 71 94 - 76 - 2.1/10244=34, ~10762=22...(10) HB3 LEU 64 + HB THR 80 OK 45 61 - 74 - 3.1/10244=28, ~10762=16...(11) HG13 ILE 52 + HB THR 80 OK 35 81 - 43 - 3.8/3565=9, 10195/2.1=8...(11) HD2 LYS 82 + HB THR 80 OK 24 87 - 28 - 5.1/11121=9, 3.5/9719=7...(4) HB2 LEU 27 + HB THR 80 OK 11 81 - 13 - 10195/2.1=3, 1.8/9722=2...(5) HD2 LYS 40 + HB THR 80 OK 10 97 - 11 - 10195/2.1=2, ~10195=2 HD3 LYS 40 + HB THR 80 OK 10 98 - 10 - 10195/2.1=2, ~10195=2 HG LEU 38 - HB THR 80 poor 10 87 - 11 - 2.1/9723=4, 10195/2.1=2...(4) HB2 LEU 38 - HB THR 80 poor 8 73 - 11 - 3.1/9723=3, 10195/2.1=2 HG3 LYS 53 - HB THR 80 lone 7 100 - 7 - 10195/2.1=1, ~10195=1 HG2 LYS 53 - HB THR 80 lone 7 96 - 7 - 10195/2.1=1, ~10195=1 HD2 LYS 53 - HB THR 80 lone 6 87 - 7 - 10195/2.1=1, 9195/9726=1 HB2 ARG 91 - HB THR 80 lone 5 77 - 7 - 4.3/7454=2, 3.9/7432=2 HG3 ARG 91 - HB THR 80 lone 3 61 - 5 - 4.8/7432=1 HG2 LYS 20 - HB THR 80 lone 3 81 - 3 - 10195/2.1=1 Peak 9722 from cnoeabs.peaks (1.34, 3.68, 69.77 ppm; 3.88 A): 4 out of 10 assignments used, quality = 0.96: HG LEU 14 + HB THR 80 OK 66 90 - 74 - ~10403=15, 611=15...(15) HG3 LYS 68 + HB THR 80 OK 62 92 - 68 - 1.8/10788=13, ~10256=13...(15) HB2 LYS 82 + HB THR 80 OK 48 99 - 48 - 3.0/11121=12, 1.8/9719=8...(12) QB ALA 67 + HB THR 80 OK 38 100 - 38 - 3.6/9703=12, ~9518=8...(8) HG2 LYS 39 - HB THR 80 OK 33 98 - 33 - 3.5/9717=4, 3.0/9720=4...(12) HB3 LEU 2 - HB THR 80 OK 31 98 - 32 - 8047/3.0=8, ~8046=6...(9) QB ALA 89 - HB THR 80 OK 26 100 - 26 - ~9927=5, 10787=4...(8) HB3 LEU 27 - HB THR 80 OK 18 99 - 18 - ~10195=2, 9732/2.1=2...(6) HG2 LYS 94 - HB THR 80 lone 10 100 - 9 - 4.9/7501=1, 9732/2.1=1 QB ALA 25 - HB THR 80 lone 9 100 - 9 - 10254/10244=2, 9732/2.1=1 Peak 9723 from cnoeabs.peaks (0.84, 3.68, 69.77 ppm; 4.54 A): 3 out of 4 assignments used, quality = 0.58: QD1 LEU 57 + HB THR 80 OK 47 92 - 51 - 9338/4.4=23, 9363/2.1=12...(14) QG2 VAL 32 + HB THR 80 OK 12 98 - 12 - 9736/4.4=4, 9530/9703=2...(4) QD2 LEU 103 + HB THR 80 OK 12 90 - 13 - 9736/4.4=4, 2.1/10246=3 QD2 LEU 38 - HB THR 80 poor 9 77 - 12 - 9736/4.4=3, ~10195=2...(5) Peak 9724 from cnoeabs.peaks (0.73, 3.68, 69.77 ppm; 3.17 A): 6 out of 10 assignments used, quality = 0.91: QD1 LEU 64 + HB THR 80 OK 69 98 - 70 - 10244=29, 10762/2.1=22...(12) HG3 ARG 81 + HB THR 80 OK 44 99 - 44 - ~10917=14, 4.9/3568=11...(9) QG1 VAL 58 + HB THR 80 OK 19 77 - 25 - 10223/2.1=14, ~10221=7...(4) QG1 VAL 78 + HB THR 80 OK 18 92 - 20 - ~10288=7, 10906/10246=3...(6) QG2 VAL 78 + HB THR 80 OK 12 81 - 15 - ~10288=7, 8179/3.0=3...(4) QG1 VAL 5 + HB THR 80 OK 11 94 - 12 - 8179/3.0=3, 9733/2.1=2...(5) QD2 LEU 27 - HB THR 80 lone 8 98 - 8 - HG13 ILE 93 - HB THR 80 lone 6 96 - 6 - 3.0/4129=1, 7318/4.4=1 QG2 ILE 93 - HB THR 80 lone 6 77 - 7 - 2.1/4129=2 HG13 ILE 15 - HB THR 80 lone 3 61 - 5 - 4.6/6210=2 Peak 9725 from cnoeabs.peaks (0.58, 3.68, 69.77 ppm; 5.28 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9726 from cnoeabs.peaks (0.43, 3.68, 69.77 ppm; 5.75 A): 2 out of 2 assignments used, quality = 0.97: HG2 ARG 81 + HB THR 80 OK 83 99 - 84 - 4.9/3568=37, 9716/4.0=21...(13) QD1 LEU 55 + HB THR 80 OK 81 100 - 81 - 9280/4.4=36, 9258/3.0=31...(17) Peak 9727 from cnoeabs.peaks (3.78, 0.98, 22.13 ppm; 3.52 A): 0 out of 1 assignment used, low quality = 0.38: HA ALA 18 - QG2 THR 80 OK 38 99 - 39 - 10916/2.1=25...(4) Peak 9728 from cnoeabs.peaks (2.09, 0.98, 22.13 ppm; 5.22 A): 6 out of 9 assignments used, quality = 0.92: HB3 GLU 88 + QG2 THR 80 OK 63 77 - 81 - 3.0/9914=36, 3.0/9915=35...(11) HG3 GLU 104 + QG2 THR 80 OK 31 99 - 32 - 4.9/9705=15, 3.0/9913=5...(6) QE MET 21 + QG2 THR 80 OK 29 98 - 30 - 8543/2.1=4, 8537/9941=4...(9) HB3 PRO 86 + QG2 THR 80 OK 28 87 - 32 - 10407/10403=5, ~9886=5...(10) HB3 GLU 62 + QG2 THR 80 OK 20 99 - 20 - 4.0/3569=8, 2741/4.0=4 HB2 GLU 23 + QG2 THR 80 OK 19 98 - 19 - 4.6/9912=4, 1026/9912=2...(7) HB3 GLU 35 - QG2 THR 80 poor 10 87 - 11 - 9382/10223=2 HB2 GLU 16 - QG2 THR 80 lone 4 70 - 5 - 9382/10223=1 HG3 GLU 37 - QG2 THR 80 lone 3 70 - 5 - Peak 9729 from cnoeabs.peaks (1.75, 0.98, 22.13 ppm; 3.30 A): 5 out of 7 assignments used, quality = 0.79: HB ILE 56 + QG2 THR 80 OK 55 77 - 71 - 2.1/9734=31...(13) HB3 LYS 82 + QG2 THR 80 OK 27 73 - 37 - 3.0/9711=8, 1.8/9732=5...(9) HD2 LYS 90 + QG2 THR 80 OK 16 94 - 17 - 3.6/10259=3, 6.1/9941=3...(8) HB2 LYS 66 + QG2 THR 80 OK 14 65 - 21 - 4.7/9518=6, 1.8/9731=4...(7) HG3 ARG 19 + QG2 THR 80 OK 12 87 - 14 - 4.9/10915=6, 4.0/10260=2...(4) HB2 GLU 28 - QG2 THR 80 lone 2 98 - 2 - HB ILE 15 - QG2 THR 80 lone 2 61 - 3 - Peak 9730 from cnoeabs.peaks (1.64, 0.98, 22.13 ppm; 3.43 A): 4 out of 11 assignments used, quality = 0.95: HG2 LYS 68 + QG2 THR 80 OK 66 100 - 66 - 10256=15, 10788/2.1=11...(18) HD3 LYS 68 + QG2 THR 80 OK 53 87 - 61 - 3.0/10256=12...(19) HD2 LYS 68 + QG2 THR 80 OK 51 84 - 61 - 3.0/10256=12...(19) HB3 ARG 79 + QG2 THR 80 OK 33 77 - 43 - 4.6/3569=11, 3.0/9711=10...(9) HD3 LYS 39 - QG2 THR 80 OK 22 100 - 22 - 9720/2.1=4, ~9717=2...(8) HB3 LEU 6 - QG2 THR 80 OK 15 94 - 16 - 8236/9734=8, 8203/9348=1 HD2 LYS 39 - QG2 THR 80 OK 14 77 - 19 - ~9720=2, ~9717=2...(8) HB ILE 76 - QG2 THR 80 lone 9 99 - 9 - HB2 LYS 40 - QG2 THR 80 lone 7 97 - 7 - 3.5/10195=1, 3.5/10195=1 HD2 LYS 94 - QG2 THR 80 lone 4 77 - 5 - HG3 LYS 47 - QG2 THR 80 lone 1 70 - 1 - Peak 9731 from cnoeabs.peaks (1.86, 0.98, 22.13 ppm; 3.67 A): 6 out of 9 assignments used, quality = 0.89: HB3 LYS 68 + QG2 THR 80 OK 56 81 - 69 - 2.9/10256=14...(19) HB2 LYS 68 + QG2 THR 80 OK 40 61 - 66 - 2.9/10256=14...(17) HB3 LYS 66 + QG2 THR 80 OK 28 99 - 28 - 4.7/9518=8, 10777/9706=5...(9) HB3 LYS 39 + QG2 THR 80 OK 18 99 - 19 - 9718/2.1=3, 3.0/9732=3...(6) HB VAL 5 + QG2 THR 80 OK 17 99 - 17 - 3.9/10915=4, ~8179=4...(6) HB3 GLU 104 + QG2 THR 80 OK 16 84 - 19 - 4.0/9705=9, 1.8/9913=4...(4) HB2 LYS 12 - QG2 THR 80 lone 8 97 - 8 - 9718/2.1=1 HB3 LYS 12 - QG2 THR 80 lone 8 94 - 8 - 9718/2.1=1 HB2 LYS 53 - QG2 THR 80 lone 7 73 - 9 - 4.4/9707=2, 3.0/10195=1...(4) Peak 9732 from cnoeabs.peaks (1.34, 0.98, 22.13 ppm; 2.94 A): 5 out of 10 assignments used, quality = 0.92: HG LEU 14 + QG2 THR 80 OK 51 90 - 57 - 2.1/10403=16...(13) HG3 LYS 68 + QG2 THR 80 OK 49 92 - 53 - 1.8/10256=9, 4.6/9529=7...(17) QB ALA 67 + QG2 THR 80 OK 37 100 - 37 - 3.6/9529=9, 2.9/9518=6...(10) HB2 LYS 82 + QG2 THR 80 OK 35 99 - 35 - 3.0/9711=6, 1.8/9729=6...(11) HB3 LEU 2 + QG2 THR 80 OK 21 98 - 22 - 8047/3.2=4, ~8046=3...(7) HG2 LYS 39 - QG2 THR 80 OK 19 98 - 20 - 1.8/10195=2, 9722/2.1=2...(8) QB ALA 89 - QG2 THR 80 OK 17 100 - 17 - 3.6/9941=3, 2.9/9927=3...(4) HB3 LEU 27 - QG2 THR 80 OK 13 99 - 13 - 1.8/10195=2, 9722/2.1=1 QB ALA 25 - QG2 THR 80 lone 8 100 - 8 - HG2 LYS 94 - QG2 THR 80 lone 7 100 - 6 - Peak 9733 from cnoeabs.peaks (0.72, 0.98, 22.13 ppm; 2.56 A): 8 out of 10 assignments used, quality = 0.92: HG13 ILE 56 + QG2 THR 80 OK 41 94 - 44 - 3.2/9734=13, 2.1/10682=7...(12) QG1 VAL 58 + QG2 THR 80 OK 37 100 - 37 - 10223=16, 4.0/9366=9...(7) QD2 LEU 14 + QG2 THR 80 OK 32 77 - 41 - 2.1/10402=12, 10403=10...(11) QD1 ILE 56 + QG2 THR 80 OK 30 73 - 41 - 3.0/9734=14, 3.2/9729=6...(12) QD1 LEU 64 + QG2 THR 80 OK 25 65 - 39 - 10762=9, 10244/2.1=7...(12) HG3 ARG 81 + QG2 THR 80 OK 20 73 - 27 - 1.8/10917=12, 4.9/3573=7...(7) QG2 VAL 78 + QG2 THR 80 OK 14 100 - 14 - 2.1/10288=5, 4.3/9707=3 QG1 VAL 5 + QG2 THR 80 OK 12 100 - 12 - 8179/3.2=2, 4.0/10915=2 QD2 LEU 27 - QG2 THR 80 lone 6 98 - 7 - 3.1/10195=1 QD1 ILE 8 - QG2 THR 80 lone 6 81 - 7 - 8313/9734=2, 6954/9366=1 Peak 9734 from cnoeabs.peaks (0.60, 0.98, 22.13 ppm; 3.43 A): 1 out of 1 assignment used, quality = 0.79: QG2 ILE 56 + QG2 THR 80 OK 79 100 - 79 - 9327=16, 2.1/9729=15...(21) Peak 9741 from cnoeabs.peaks (5.34, 4.36, 53.27 ppm; 5.27 A): 2 out of 2 assignments used, quality = 0.96: HA THR 80 + HA ARG 81 OK 90 99 - 91 - 3563/3.0=39, ~3568=25...(13) HA ILE 52 + HA ARG 81 OK 53 100 - 53 - 7311/3.0=13, 9156/3.9=13...(11) Peak 9742 from cnoeabs.peaks (1.52, 4.36, 53.27 ppm; 5.72 A): 9 out of 12 assignments used, quality = 0.95: HG12 ILE 56 + HA ARG 81 OK 59 87 - 68 - ~9310=26, ~9303=26...(7) HG LEU 57 + HA ARG 81 OK 49 65 - 76 - ~9338=35, ~9737=24...(6) HB2 LEU 14 + HA ARG 81 OK 24 100 - 24 - 9739/3.0=6, ~7312=6...(6) HB3 LEU 103 + HA ARG 81 OK 22 99 - 22 - 3.1/9745=5, ~9736=4...(6) HG3 LYS 33 + HA ARG 81 OK 18 77 - 24 - 3.0/3580=6, 3.0/3580=6...(5) HG2 ARG 79 + HA ARG 81 OK 16 77 - 21 - 9739/3.0=6, 9695/3.9=6...(5) HG LEU 2 + HA ARG 81 OK 15 99 - 15 - 9739/3.0=3, 10356/9741=3...(5) HG3 ARG 79 + HA ARG 81 OK 14 73 - 19 - 9695/3.9=6, 9739/3.0=5...(4) HB ILE 7 + HA ARG 81 OK 14 100 - 14 - ~9735=6, 9739/3.0=3 HG LEU 6 - HA ARG 81 lone 8 98 - 8 - 9739/3.0=2 HG3 ARG 30 - HA ARG 81 lone 5 90 - 6 - 9739/3.0=2 HG3 LYS 24 - HA ARG 81 lone 3 90 - 3 - Peak 9743 from cnoeabs.peaks (1.34, 4.36, 53.27 ppm; 5.17 A): 2 out of 12 assignments used, quality = 0.94: HB2 LYS 82 + HA ARG 81 OK 89 100 - 90 - 4.0/3582=43, 9764=19...(17) HB3 LEU 27 + HA ARG 81 OK 47 100 - 47 - 8634/3.0=17, ~8633=6...(13) HG LEU 14 - HA ARG 81 OK 23 99 - 24 - 9738/3.0=5, 7332/3.6=4...(6) QB ALA 25 - HA ARG 81 OK 16 98 - 16 - 3.6/6414=4, 7332/3.6=2...(4) HG2 LYS 39 - HA ARG 81 OK 15 100 - 15 - 7332/3.6=5, 9738/3.0=2 HB3 LEU 2 - HA ARG 81 OK 14 87 - 17 - 9738/3.0=3, 8047/9741=2...(7) QB ALA 67 - HA ARG 81 OK 12 96 - 13 - 9738/3.0=3, 7332/3.6=2 HG3 LYS 68 - HA ARG 81 OK 12 99 - 12 - 9738/3.0=3, 7332/3.6=2 QB ALA 89 - HA ARG 81 lone 10 98 - 10 - 9738/3.0=3, 7332/3.6=2 HG3 LYS 40 - HA ARG 81 lone 8 81 - 10 - 7332/3.6=2, 3.0/9766=1 HG2 LYS 94 - HA ARG 81 lone 6 98 - 6 - HG12 ILE 8 - HA ARG 81 lone 2 65 - 2 - Peak 9744 from cnoeabs.peaks (0.83, 0.93, 33.91 ppm; 4.63 A): 5 out of 5 assignments used, quality = 0.86: QD1 LEU 57 + HB2 ARG 81 OK 68 99 - 68 - 9338/4.0=30...(8) QD2 LEU 103 + HB2 ARG 81 OK 20 99 - 20 - 9746/3.4=4, 9736/4.0=4...(7) QD2 LEU 38 + HB2 ARG 81 OK 19 94 - 20 - 9746/3.4=5, 9747/2.9=3...(6) QD1 LEU 70 + HB2 ARG 81 OK 18 73 - 25 - 9748/1.8=3, 9747/2.9=3...(10) QG2 VAL 32 + HB2 ARG 81 OK 18 100 - 18 - 9746/3.4=4, 9736/4.0=4...(6) Peak 9745 from cnoeabs.peaks (0.84, 4.36, 53.27 ppm; 4.47 A): 5 out of 5 assignments used, quality = 0.74: QD1 LEU 57 + HA ARG 81 OK 39 73 - 53 - 9338/3.0=20, ~9737=13...(9) QD2 LEU 64 + HA ARG 81 OK 38 61 - 62 - ~10248=12, 10939/3.6=10...(15) QD2 LEU 103 + HA ARG 81 OK 12 70 - 18 - 9736/3.0=4, 9744/3.0=3...(6) QD1 LEU 38 + HA ARG 81 OK 12 70 - 17 - 10939/3.6=4, ~9744=3...(5) QG2 VAL 32 + HA ARG 81 OK 11 87 - 13 - 9736/3.0=4, 9746/5.3=3 Peak 9746 from cnoeabs.peaks (0.84, 2.31, 42.21 ppm; 4.82 A): 4 out of 4 assignments used, quality = 0.64: QD1 LEU 57 + HD3 ARG 81 OK 44 92 - 48 - 9338/6.2=16, 9744/3.4=15...(6) QD2 LEU 38 + HD3 ARG 81 OK 15 77 - 19 - 2.1/10549=5, 9744/3.4=4...(7) QG2 VAL 32 + HD3 ARG 81 OK 14 98 - 14 - 9744/3.4=4, 9736/6.2=3...(4) QD2 LEU 103 + HD3 ARG 81 OK 13 90 - 15 - 9744/3.4=4, 9747/3.0=2...(5) Peak 9747 from cnoeabs.peaks (0.82, 0.43, 25.88 ppm; 4.55 A): 7 out of 8 assignments used, quality = 0.92: QD1 LEU 57 + HG2 ARG 81 OK 69 100 - 69 - 9338/4.9=24, 9744/2.9=14...(15) QG2 ILE 15 + HG2 ARG 81 OK 32 73 - 43 - 2.1/3607=7, 9748/2.9=6...(18) QD1 LEU 70 + HG2 ARG 81 OK 21 92 - 23 - 9744/2.9=4, 9748/2.9=4...(10) QD2 LEU 38 + HG2 ARG 81 OK 19 100 - 19 - 9744/2.9=4, 9746/3.0=4...(5) QD2 LEU 103 + HG2 ARG 81 OK 18 100 - 18 - 9744/2.9=4, 9746/3.0=3...(6) QG2 VAL 32 + HG2 ARG 81 OK 16 98 - 16 - 9744/2.9=4, 9746/3.0=4...(6) QD2 LEU 70 + HG2 ARG 81 OK 13 65 - 20 - 3.1/3607=3, 9748/2.9=3...(8) QD2 LEU 2 - HG2 ARG 81 lone 6 70 - 9 - 8048/9351=2, 9748/2.9=2 Peak 9748 from cnoeabs.peaks (0.82, 1.06, 33.91 ppm; 4.39 A): 7 out of 9 assignments used, quality = 0.88: QD1 LEU 57 + HB3 ARG 81 OK 55 96 - 58 - 9338/4.0=25...(8) QG2 ILE 15 + HB3 ARG 81 OK 37 92 - 40 - 9747/2.9=5, ~3589=4...(18) QD1 LEU 70 + HB3 ARG 81 OK 21 99 - 21 - 9744/1.8=3, 9747/2.9=3...(10) QD2 LEU 38 + HB3 ARG 81 OK 17 100 - 17 - 9744/1.8=4, 9747/2.9=3...(6) QD2 LEU 70 + HB3 ARG 81 OK 16 87 - 18 - ~9744=3, ~9747=2...(8) QD2 LEU 103 + HB3 ARG 81 OK 15 97 - 15 - 9744/1.8=4, 9736/4.0=3...(6) QG2 VAL 32 + HB3 ARG 81 OK 12 87 - 13 - 9736/4.0=3, 9744/1.8=3...(4) QD2 LEU 2 - HB3 ARG 81 poor 10 90 - 11 - 8048/12209=5 QD1 ILE 76 - HB3 ARG 81 lone 1 61 - 1 - Peak 9749 from cnoeabs.peaks (7.45, 2.31, 42.21 ppm; 5.93 A): 0 out of 6 assignments used, low quality = 0.12: HD22 ASN 26 - HD3 ARG 81 OK 12 81 - 15 - 4.4/3629=10, 6428/5.3=3 HE ARG 19 - HD3 ARG 81 lone 4 100 - 4 - ~12215=1 HE22 GLN 72 - HD3 ARG 81 lone 4 84 - 5 - ~9566=1 HE ARG 46 - HD3 ARG 81 lone 4 73 - 5 - ~12215=3 H ARG 91 - HD3 ARG 81 lone 4 73 - 5 - 7437/1.8=1 H LYS 47 - HD3 ARG 81 lone 3 65 - 5 - 4.6/6791=1 Peak 9750 from cnoeabs.peaks (6.29, 2.31, 42.21 ppm; 5.84 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9751 from cnoeabs.peaks (5.83, 2.31, 42.21 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.92: HE ARG 81 + HD3 ARG 81 OK 92 92 - 100 - 2.9=100 Peak 9752 from cnoeabs.peaks (5.82, 1.73, 42.21 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.73: HE ARG 81 + HD2 ARG 81 OK 73 73 - 100 - 2.9=100 Peak 9756 from cnoeabs.peaks (0.85, 1.34, 32.60 ppm; 4.10 A): 3 out of 3 assignments used, quality = 0.88: QD2 LEU 64 + HB2 LYS 82 OK 70 97 - 73 - 10247/4.0=17...(19) QD1 LEU 38 + HB2 LYS 82 OK 37 99 - 37 - 9758/1.8=9, 10942/3.5=6...(11) QD1 LEU 103 + HB2 LYS 82 OK 34 94 - 36 - 9758/1.8=8, 10939/4.0=5...(11) Peak 9757 from cnoeabs.peaks (0.69, 1.34, 32.60 ppm; 3.67 A): 7 out of 8 assignments used, quality = 0.87: QG2 VAL 58 + HB2 LYS 82 OK 45 65 - 69 - 10228/3.0=11...(17) QD1 ILE 56 + HB2 LYS 82 OK 36 81 - 44 - 3.2/3651=6, ~9305=5...(15) QD1 LEU 14 + HB2 LYS 82 OK 24 73 - 33 - 9759/1.8=5, 9803/4.6=3...(14) QD2 LEU 14 + HB2 LYS 82 OK 23 77 - 30 - ~9759=4, 2.1/622=3...(13) QD1 LEU 42 + HB2 LYS 82 OK 18 99 - 18 - ~10599=4, 9759/1.8=3...(6) QD1 ILE 52 + HB2 LYS 82 OK 14 100 - 14 - 9759/1.8=2, 9803/4.6=2...(4) QD2 LEU 6 + HB2 LYS 82 OK 12 97 - 13 - 10232/4.6=4, 9759/1.8=2 QD1 ILE 8 - HB2 LYS 82 lone 4 73 - 6 - Peak 9758 from cnoeabs.peaks (0.85, 1.76, 32.60 ppm; 4.21 A): 3 out of 4 assignments used, quality = 0.81: QD2 LEU 64 + HB3 LYS 82 OK 60 84 - 72 - 9756/1.8=19...(18) QD1 LEU 38 + HB3 LYS 82 OK 33 90 - 37 - 9756/1.8=10, 10942/3.5=7...(11) QD1 LEU 103 + HB3 LYS 82 OK 27 77 - 35 - 9756/1.8=9, 10942/3.5=5...(11) QG2 VAL 32 - HB3 LYS 82 lone 5 65 - 7 - 9801/4.6=1, ~10336=1 Peak 9759 from cnoeabs.peaks (0.69, 1.76, 32.60 ppm; 4.19 A): 6 out of 6 assignments used, quality = 0.95: QG2 VAL 58 + HB3 LYS 82 OK 76 87 - 87 - 10228/3.0=22...(17) QD1 LEU 14 + HB3 LYS 82 OK 38 92 - 41 - 9757/1.8=6, 2.1/3661=5...(16) QD1 ILE 56 + HB3 LYS 82 OK 33 57 - 58 - 2.1/2579=9, 9757/1.8=8...(17) QD1 LEU 42 + HB3 LYS 82 OK 24 100 - 24 - ~10599=5, 9757/1.8=4...(7) QD1 ILE 52 + HB3 LYS 82 OK 17 97 - 18 - 9757/1.8=3, 9755/4.0=2...(5) QD2 LEU 6 + HB3 LYS 82 OK 17 100 - 16 - 10232/4.6=5, 9757/1.8=3...(4) Peak 9760 from cnoeabs.peaks (0.67, 1.06, 25.00 ppm; 4.07 A): 5 out of 6 assignments used, quality = 0.93: QG2 VAL 58 + HG2 LYS 82 OK 82 97 - 84 - 10222/1.8=32...(19) QD1 LEU 14 + HG2 LYS 82 OK 33 94 - 36 - 9763/1.8=7, 9768/2.9=5...(15) QG2 VAL 54 + HG2 LYS 82 OK 22 81 - 27 - 2.1/10654=10, 9763/1.8=7...(6) QD1 LEU 42 + HG2 LYS 82 OK 12 57 - 21 - 2.1/10599=8, ~9762=3...(7) QD1 LEU 29 + HG2 LYS 82 OK 12 77 - 15 - 9763/1.8=4, 4.6/3680=4...(4) QD2 LEU 6 - HG2 LYS 82 lone 6 65 - 9 - 9768/2.9=1, 9755/5.1=1, ~9762=1 Peak 9761 from cnoeabs.peaks (0.75, 1.06, 25.00 ppm; 3.87 A): 5 out of 10 assignments used, quality = 0.96: HG3 ARG 81 + HG2 LYS 82 OK 62 96 - 65 - 3613=15, 1.8/3604=11...(14) QD1 LEU 64 + HG2 LYS 82 OK 58 98 - 60 - 9486/3.9=14, 10248/5.1=8...(16) HG13 ILE 15 + HG2 LYS 82 OK 40 97 - 41 - ~8462=13, 8463/1.8=13...(6) QD2 LEU 27 + HG2 LYS 82 OK 33 65 - 51 - ~9762=7, ~10134=5...(24) QD1 ILE 15 + HG2 LYS 82 OK 32 87 - 37 - ~8462=13, ~8463=9...(5) QG1 VAL 78 - HG2 LYS 82 OK 31 100 - 31 - 10900/3.9=10, 3492/2.9=4...(13) QG1 VAL 54 - HG2 LYS 82 OK 19 81 - 23 - 10654=8, ~9763=4...(6) QG2 ILE 93 - HG2 LYS 82 OK 14 100 - 14 - 11000/2.9=3...(3) HG13 ILE 93 - HG2 LYS 82 OK 10 99 - 10 - 10018/3586=2, ~11000=1, ~9762=1 QD2 LEU 42 - HG2 LYS 82 poor 9 61 - 15 - 10599=4, 2.1/9760=2...(6) Peak 9762 from cnoeabs.peaks (0.78, 1.14, 25.00 ppm; 4.29 A): 5 out of 9 assignments used, quality = 0.84: QD1 LEU 27 + HG3 LYS 82 OK 57 94 - 61 - 2.1/10133=11, 10134=9...(25) QD1 ILE 15 + HG3 LYS 82 OK 30 65 - 46 - 2.1/8463=15...(7) QG1 VAL 54 + HG3 LYS 82 OK 23 73 - 32 - 2.1/9763=8, 10654/1.8=8...(8) QD2 LEU 42 + HG3 LYS 82 OK 21 90 - 24 - 10599/1.8=8, ~9759=2...(8) QG2 ILE 52 + HG3 LYS 82 OK 13 100 - 13 - ~9757=1, ~9759=1, 3.2/3687=1 QD1 ILE 93 - HG3 LYS 82 lone 9 96 - 9 - ~11000=2, 10321/2.9=1 QD1 LEU 6 - HG3 LYS 82 lone 9 97 - 9 - ~9759=2, ~9757=2, ~9768=1 QG2 ILE 8 - HG3 LYS 82 lone 5 94 - 6 - 4.1/8314=2 QD2 LEU 57 - HG3 LYS 82 lone 2 65 - 3 - ~12135=1 Peak 9763 from cnoeabs.peaks (0.66, 1.14, 25.00 ppm; 4.12 A): 4 out of 4 assignments used, quality = 0.85: QG2 VAL 58 + HG3 LYS 82 OK 67 84 - 80 - 10222=26, 9760/1.8=18...(17) QG2 VAL 54 + HG3 LYS 82 OK 27 96 - 28 - ~10654=8, 9240/1.8=7...(6) QD1 LEU 14 + HG3 LYS 82 OK 26 77 - 34 - 9760/1.8=7, 2.1/3683=5...(12) QD1 LEU 29 + HG3 LYS 82 OK 16 94 - 16 - 4.6/3691=4, 9760/1.8=3...(6) Peak 9764 from cnoeabs.peaks (4.35, 1.34, 32.60 ppm; 5.00 A): 3 out of 3 assignments used, quality = 0.97: HA ARG 81 + HB2 LYS 82 OK 81 94 - 87 - 3.6/3648=39, 3.0/3652=15...(19) HA ASN 26 + HB2 LYS 82 OK 62 99 - 63 - 3.0/3656=9, 8627=9...(19) HA ASP 61 + HB2 LYS 82 OK 50 87 - 58 - 9446=11, 3.0/3656=8...(15) Peak 9765 from cnoeabs.peaks (4.33, 1.76, 32.60 ppm; 4.79 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9766 from cnoeabs.peaks (4.36, 1.46, 28.90 ppm; 4.75 A): 3 out of 12 assignments used, quality = 0.97: HA ARG 81 + HD2 LYS 82 OK 75 100 - 75 - 3582/5.8=23, 3577/2.9=15...(13) HA ASP 61 + HD2 LYS 82 OK 73 99 - 74 - ~9443=20, ~10931=19...(17) HA ASN 26 + HD2 LYS 82 OK 59 100 - 59 - 9767/1.8=9, 9769/3.0=9...(15) HA ASN 26 - HD2 LYS 40 OK 28 91 - 31 - 3.0/8617=4, 8626=3...(13) HA ASN 26 - HD3 LYS 40 OK 26 86 - 31 - 3.0/8617=4, 8626/1.8=4...(13) HA ARG 81 - HD2 LYS 40 OK 12 91 - 13 - 3.6/3692=5 HA ARG 81 - HD3 LYS 40 OK 11 86 - 13 - 3.6/3692=5 HA ASP 61 - HD2 LYS 40 OK 10 89 - 11 - 9445/1.8=1, 9445=1 HA ASP 61 - HD3 LYS 40 poor 9 84 - 11 - 9445/1.8=1, 9445=1 HA SER 102 - HD2 LYS 82 lone 2 57 - 3 - HA SER 102 - HD2 LYS 40 lone 1 48 - 1 - HA SER 102 - HD3 LYS 40 lone 1 44 - 1 - Peak 9767 from cnoeabs.peaks (4.37, 1.57, 28.90 ppm; 5.01 A): 3 out of 4 assignments used, quality = 0.98: HA ASP 61 + HD3 LYS 82 OK 78 100 - 78 - 3.0/9443=30...(20) HA ARG 81 + HD3 LYS 82 OK 78 100 - 78 - 3582/5.8=26, 3577/2.9=16...(16) HA ASN 26 + HD3 LYS 82 OK 55 96 - 57 - 3.0/3711=9, 8626/1.8=8...(18) HA SER 102 - HD3 LYS 82 lone 3 77 - 4 - 10114=1 Peak 9768 from cnoeabs.peaks (0.68, 1.57, 28.90 ppm; 5.22 A): 2 out of 5 assignments used, quality = 0.94: QG2 VAL 58 + HD3 LYS 82 OK 89 100 - 89 - 10222/2.9=39...(16) QD1 LEU 14 + HD3 LYS 82 OK 45 100 - 45 - 9760/2.9=8, 9763/2.9=6...(16) QD1 LEU 42 - HD3 LYS 82 OK 26 84 - 31 - ~10599=8, ~9762=4...(10) QD2 LEU 6 - HD3 LYS 82 OK 14 90 - 15 - 9759/3.5=2, 9755/5.8=2...(6) QD1 ILE 52 - HD3 LYS 82 OK 12 61 - 19 - 9759/3.5=2, 9755/5.8=2...(4) Peak 9769 from cnoeabs.peaks (4.35, 2.74, 41.51 ppm; 5.16 A): 3 out of 3 assignments used, quality = 0.95: HA ARG 81 + HE2 LYS 82 OK 67 94 - 71 - 3.6/3714=26, 3.0/3718=14...(11) HA ASP 61 + HE2 LYS 82 OK 63 87 - 72 - ~9443=18, ~10931=18...(16) HA ASN 26 + HE2 LYS 82 OK 61 99 - 61 - 1161=10, 9764/4.8=8...(17) Peak 9774 from cnoeabs.peaks (7.69, 2.11, 35.30 ppm; 4.15 A): 3 out of 3 assignments used, quality = 0.78: H SER 85 + HB VAL 83 OK 62 100 - 62 - 7368/4.4=22, 9779/2.1=21...(9) H MET 21 + HB VAL 83 OK 31 99 - 31 - 9779/2.1=9, 9793/2.1=7...(6) HD22 ASN 51 + HB VAL 83 OK 17 99 - 17 - 9779/2.1=6, 9793/2.1=5 Peak 9775 from cnoeabs.peaks (7.42, 2.11, 35.30 ppm; 4.61 A): 2 out of 3 assignments used, quality = 0.98: H ALA 89 + HB VAL 83 OK 91 100 - 91 - 9927/2.1=33, ~9928=27...(16) HE3 TRP 92 + HB VAL 83 OK 83 98 - 84 - 2.5/9776=26, ~9781=19...(16) HE22 GLN 72 - HB VAL 83 OK 20 73 - 27 - 1.7/9777=10, ~9782=4...(5) Peak 9776 from cnoeabs.peaks (7.07, 2.11, 35.30 ppm; 5.08 A): 2 out of 2 assignments used, quality = 0.90: HZ3 TRP 92 + HB VAL 83 OK 88 99 - 89 - 9781/2.1=34...(17) HZ PHE 96 + HB VAL 83 OK 15 99 - 15 - 9781/2.1=7, 10294/4.4=5 Peak 9777 from cnoeabs.peaks (6.85, 2.11, 35.30 ppm; 5.65 A): 3 out of 3 assignments used, quality = 0.47: HE21 GLN 72 + HB VAL 83 OK 21 100 - 21 - 1.7/9775=5, ~9794=5...(5) HE1 TYR 41 + HB VAL 83 OK 18 99 - 18 - 8904=4, 4.3/8904=3...(5) HE2 TYR 41 + HB VAL 83 OK 17 100 - 17 - 8904=4, 4.3/8904=3...(4) Peak 9779 from cnoeabs.peaks (7.69, 0.96, 21.21 ppm; 4.08 A): 3 out of 3 assignments used, quality = 0.84: H SER 85 + QG2 VAL 83 OK 70 100 - 70 - 7368/4.0=24, 9774/2.1=19...(13) H MET 21 + QG2 VAL 83 OK 32 99 - 32 - 9774/2.1=10, 9793/2.1=7...(8) HD22 ASN 51 + QG2 VAL 83 OK 21 99 - 20 - 9774/2.1=6, 9793/2.1=5...(4) Peak 9780 from cnoeabs.peaks (7.42, 0.96, 21.21 ppm; 3.96 A): 2 out of 3 assignments used, quality = 0.96: H ALA 89 + QG2 VAL 83 OK 86 100 - 86 - 2.9/9931=29, 9927/2.1=28...(19) HE3 TRP 92 + QG2 VAL 83 OK 73 94 - 78 - 2.5/9781=20, ~9776=13...(18) HE22 GLN 72 - QG2 VAL 83 OK 13 61 - 21 - ~9777=6, 1.7/9782=4...(5) Peak 9781 from cnoeabs.peaks (7.07, 0.96, 21.21 ppm; 4.85 A): 2 out of 2 assignments used, quality = 0.93: HZ3 TRP 92 + QG2 VAL 83 OK 91 100 - 91 - 9776/2.1=30, 14661=21...(19) HZ PHE 96 + QG2 VAL 83 OK 18 100 - 17 - 9776/2.1=5, 10294/4.0=5...(4) Peak 9782 from cnoeabs.peaks (6.86, 0.96, 21.21 ppm; 4.39 A): 5 out of 5 assignments used, quality = 0.92: HD1 TRP 92 + QG2 VAL 83 OK 83 96 - 87 - 14635/2.1=34...(17) HD21 ASN 60 + QG2 VAL 83 OK 29 92 - 31 - 9428/2.1=9, 9796/2.1=8...(7) HE21 GLN 72 + QG2 VAL 83 OK 20 92 - 22 - 9777/2.1=6, 9796/2.1=4...(5) HE1 TYR 41 + QG2 VAL 83 OK 12 97 - 12 - 9777/2.1=5, 9796/2.1=2 HE2 TYR 41 + QG2 VAL 83 OK 11 94 - 12 - 9777/2.1=5, 9796/2.1=2 Peak 9783 from cnoeabs.peaks (5.38, 0.96, 21.21 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.91: HA LEU 57 + QG2 VAL 83 OK 91 94 - 97 - 2.9/9819=44, 9797/2.1=37...(21) Peak 9784 from cnoeabs.peaks (5.05, 0.96, 21.21 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.69: HA SER 59 + QG2 VAL 83 OK 69 92 - 76 - 9772/4.0=33, 3.0/9828=24...(8) HA LYS 53 - QG2 VAL 83 lone 8 94 - 8 - 9772/4.0=4 Peak 9785 from cnoeabs.peaks (4.71, 0.96, 21.21 ppm; 4.17 A): 2 out of 2 assignments used, quality = 0.78: HA LYS 82 + QG2 VAL 83 OK 70 96 - 73 - 3.6/3748=31, 9799/2.1=24...(14) HA ARG 79 + QG2 VAL 83 OK 26 100 - 26 - 9799/2.1=8, 7343/4.0=6...(8) Peak 9786 from cnoeabs.peaks (4.58, 0.96, 21.21 ppm; 4.82 A): 2 out of 5 assignments used, quality = 0.87: HA THR 84 + QG2 VAL 83 OK 80 99 - 81 - 3.0/7361=22, 3.6/9779=20...(9) HB THR 34 + QG2 VAL 83 OK 35 87 - 40 - 9800/2.1=8, ~8758=7...(9) HA ASP 11 - QG2 VAL 83 lone 6 84 - 7 - 8425/10402=2...(3) HA ASP 77 - QG2 VAL 83 lone 4 81 - 5 - 7363/4.0=2 HA HIS 105 - QG2 VAL 83 lone 2 92 - 3 - Peak 9787 from cnoeabs.peaks (8.76, 0.96, 21.21 ppm; 5.28 A): 1 out of 1 assignment used, quality = 0.67: H ARG 81 + QG2 VAL 83 OK 67 100 - 67 - 9737/9819=15...(17) Peak 9788 from cnoeabs.peaks (8.54, 0.96, 21.21 ppm; 4.20 A): 3 out of 3 assignments used, quality = 0.84: H VAL 58 + QG2 VAL 83 OK 77 100 - 77 - 9395/4.0=26, 4.6/9819=24...(13) H ASN 51 + QG2 VAL 83 OK 21 99 - 22 - 9792/2.1=5, 9771/4.0=4...(6) H GLN 50 + QG2 VAL 83 OK 11 94 - 12 - 2616/9819=2, 9771/4.0=2 Peak 9791 from cnoeabs.peaks (8.73, 1.01, 23.61 ppm; 6.26 A): 1 out of 1 assignment used, quality = 0.70: H LYS 82 + QG1 VAL 83 OK 70 90 - 79 - 4.5/3754=40, 3.0/9799=36...(7) Peak 9792 from cnoeabs.peaks (8.53, 1.01, 23.61 ppm; 5.22 A): 2 out of 3 assignments used, quality = 0.73: H VAL 58 + QG1 VAL 83 OK 63 77 - 82 - 3.6/9797=35, 9788/2.1=24...(11) H ASN 51 + QG1 VAL 83 OK 26 97 - 27 - 9788/2.1=7, 5.7/9793=5...(10) H LEU 2 - QG1 VAL 83 poor 8 65 - 12 - 4.7/9808=4, 4.0/9810=2 Peak 9793 from cnoeabs.peaks (7.68, 1.01, 23.61 ppm; 4.84 A): 3 out of 3 assignments used, quality = 0.87: H SER 85 + QG1 VAL 83 OK 71 98 - 73 - 7368/4.0=31, 9779/2.1=24...(9) H MET 21 + QG1 VAL 83 OK 39 100 - 39 - 9774/2.1=12, 9779/2.1=11...(8) HD22 ASN 51 + QG1 VAL 83 OK 27 100 - 26 - 9779/2.1=7, 9774/2.1=7...(4) Peak 9794 from cnoeabs.peaks (7.43, 1.01, 23.61 ppm; 3.97 A): 2 out of 4 assignments used, quality = 0.95: HE3 TRP 92 + QG1 VAL 83 OK 81 98 - 83 - 5.3/10295=16...(18) H ALA 89 + QG1 VAL 83 OK 75 87 - 86 - 3.0/9928=33, 9927=18...(23) HE22 GLN 72 - QG1 VAL 83 OK 21 99 - 21 - ~9777=6, 1.7/9796=4...(5) HE ARG 19 - QG1 VAL 83 lone 5 77 - 6 - 4.8/9814=2 Peak 9795 from cnoeabs.peaks (7.05, 1.01, 23.61 ppm; 5.45 A): 2 out of 3 assignments used, quality = 0.79: HZ3 TRP 92 + QG1 VAL 83 OK 75 81 - 93 - 5.9/10295=27...(18) HZ PHE 96 + QG1 VAL 83 OK 14 84 - 17 - 10294/4.0=5, 9781/2.1=4...(4) HD1 PHE 96 - QG1 VAL 83 lone 5 61 - 8 - 3.7/10946=5 Peak 9796 from cnoeabs.peaks (6.87, 1.01, 23.61 ppm; 3.30 A): 2 out of 5 assignments used, quality = 0.73: HD1 TRP 92 + QG1 VAL 83 OK 67 100 - 68 - 2.6/10295=23, 14635=16...(14) HD21 ASN 60 + QG1 VAL 83 OK 18 99 - 18 - 9428/2.1=5, 9782/2.1=4...(6) HE21 GLN 72 - QG1 VAL 83 poor 9 77 - 12 - 1.7/9794=3, 9782/2.1=3...(5) HE1 TYR 41 - QG1 VAL 83 lone 5 87 - 6 - 9782/2.1=1, 9777/2.1=1 HE2 TYR 41 - QG1 VAL 83 lone 4 81 - 5 - 9777/2.1=1, 9782/2.1=1 Peak 9797 from cnoeabs.peaks (5.39, 1.01, 23.61 ppm; 4.75 A): 1 out of 1 assignment used, quality = 0.95: HA LEU 57 + QG1 VAL 83 OK 95 100 - 95 - 9783/2.1=36, 2.9/9809=29...(20) Peak 9798 from cnoeabs.peaks (5.08, 1.01, 23.61 ppm; 5.52 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9799 from cnoeabs.peaks (4.71, 1.01, 23.61 ppm; 4.47 A): 2 out of 2 assignments used, quality = 0.76: HA LYS 82 + QG1 VAL 83 OK 69 96 - 72 - 3.6/3754=30, 9785/2.1=29...(10) HA ARG 79 + QG1 VAL 83 OK 24 100 - 24 - 9785/2.1=11, 7343/4.0=7...(4) Peak 9800 from cnoeabs.peaks (4.59, 1.01, 23.61 ppm; 5.46 A): 2 out of 5 assignments used, quality = 0.81: HA THR 84 + QG1 VAL 83 OK 64 73 - 87 - 3.0/7362=35, ~7359=26...(8) HB THR 34 + QG1 VAL 83 OK 47 100 - 46 - 2.1/9809=9, 9786/2.1=9...(9) HA ASP 11 - QG1 VAL 83 lone 6 100 - 6 - 9786/2.1=2, 8425/9807=1 HA ILE 8 - QG1 VAL 83 lone 6 73 - 8 - 3.2/9808=2, 4.1/9807=1, ~9804=1 HA HIS 105 - QG1 VAL 83 lone 3 100 - 3 - Peak 9804 from cnoeabs.peaks (0.80, 2.11, 35.30 ppm; 4.05 A): 4 out of 8 assignments used, quality = 0.90: QD2 LEU 57 + HB VAL 83 OK 83 98 - 85 - 9808/2.1=25, 3.1/9820=22...(21) QG2 ILE 7 + HB VAL 83 OK 17 100 - 17 - ~10373=7, 9808/2.1=4 QD2 LEU 2 + HB VAL 83 OK 15 97 - 15 - 9808/2.1=5, 8048/9361=1...(6) QD2 LEU 70 + HB VAL 83 OK 12 98 - 12 - 9808/2.1=3, 3.1/10275=1...(4) QD1 ILE 76 - HB VAL 83 lone 10 100 - 10 - 9808/2.1=3 QD1 LEU 70 - HB VAL 83 poor 9 81 - 11 - 9808/2.1=2, ~9808=2...(4) QG2 ILE 8 - HB VAL 83 lone 6 77 - 8 - 9808/2.1=2, ~9806=1...(4) QG2 ILE 15 - HB VAL 83 lone 6 96 - 6 - 9808/2.1=2 Peak 9805 from cnoeabs.peaks (0.69, 2.11, 35.30 ppm; 3.89 A): 7 out of 7 assignments used, quality = 0.91: QD1 LEU 14 + HB VAL 83 OK 51 87 - 59 - 10402/2.1=12, 9807/2.1=9...(15) QG2 VAL 58 + HB VAL 83 OK 31 81 - 39 - 10710/4.0=15...(8) QD2 LEU 14 + HB VAL 83 OK 28 61 - 46 - 9806/2.1=10, ~10402=9...(10) QD1 ILE 56 + HB VAL 83 OK 28 65 - 43 - 9806/2.1=9, 9807/2.1=7...(11) QD2 LEU 6 + HB VAL 83 OK 23 100 - 22 - 10232/4.0=5, 9807/2.1=5...(6) QD1 LEU 42 + HB VAL 83 OK 22 100 - 21 - 9807/2.1=4, 9806/2.1=3...(7) QD1 ILE 52 + HB VAL 83 OK 14 99 - 14 - 9807/2.1=3, 9806/2.1=3...(4) Peak 9806 from cnoeabs.peaks (0.70, 0.96, 21.21 ppm; 2.92 A): 5 out of 7 assignments used, quality = 0.72: QD2 LEU 14 + QG2 VAL 83 OK 35 94 - 38 - 2.1/10402=8, 10403=7...(12) QD1 ILE 56 + QG2 VAL 83 OK 31 96 - 32 - 3.0/9327=6, 3.2/9328=6...(9) HG13 ILE 56 + QG2 VAL 83 OK 22 77 - 29 - 2.9/9328=6, 3.2/9327=6...(10) QD1 LEU 42 + QG2 VAL 83 OK 11 90 - 12 - 9807/2.1=2, 9805/2.1=2...(5) QD2 LEU 6 + QG2 VAL 83 OK 10 84 - 12 - 9807/2.1=3, 10232/4.0=2...(4) QD1 ILE 52 - QG2 VAL 83 lone 9 99 - 9 - 9807/2.1=2, 9805/2.1=1 QD1 ILE 8 - QG2 VAL 83 lone 8 92 - 9 - 10682/2.1=1 Peak 9807 from cnoeabs.peaks (0.69, 1.01, 23.61 ppm; 3.27 A): 7 out of 8 assignments used, quality = 0.85: QD1 LEU 14 + QG1 VAL 83 OK 37 81 - 47 - 10402/2.1=9, 9805/2.1=6...(16) QD1 ILE 56 + QG1 VAL 83 OK 26 73 - 36 - 9806/2.1=8, ~9328=4...(12) QD2 LEU 14 + QG1 VAL 83 OK 26 70 - 37 - 9806/2.1=9, ~10402=7...(11) QG2 VAL 58 + QG1 VAL 83 OK 24 73 - 33 - 10710/4.0=8, 4.0/9792=7...(8) QD2 LEU 6 + QG1 VAL 83 OK 19 99 - 19 - 10232/4.0=3, 9805/2.1=3...(7) QD1 LEU 42 + QG1 VAL 83 OK 17 100 - 17 - 9806/2.1=3, 9805/2.1=3...(6) QD1 ILE 52 + QG1 VAL 83 OK 12 100 - 12 - 9806/2.1=2, 9805/2.1=2...(5) QD1 ILE 8 - QG1 VAL 83 lone 5 65 - 8 - 9806/2.1=2, 10696/9808=1 Peak 9808 from cnoeabs.peaks (0.80, 1.01, 23.61 ppm; 2.99 A): 3 out of 8 assignments used, quality = 0.75: QD2 LEU 57 + QG1 VAL 83 OK 67 98 - 68 - 3.1/9809=12, 9364/2.1=10...(21) QD2 LEU 2 + QG1 VAL 83 OK 13 97 - 14 - 8048/9797=4, 9804/2.1=2...(4) QG2 ILE 7 + QG1 VAL 83 OK 12 100 - 12 - 3.0/10373=4, 9804/2.1=2...(4) QD1 ILE 76 - QG1 VAL 83 lone 8 100 - 8 - 9929/9928=1, 9804/2.1=1 QD2 LEU 70 - QG1 VAL 83 lone 8 98 - 8 - 9804/2.1=1 QD1 LEU 70 - QG1 VAL 83 lone 5 81 - 6 - 9804/2.1=1 QG2 ILE 15 - QG1 VAL 83 lone 5 96 - 5 - QG2 ILE 8 - QG1 VAL 83 lone 5 77 - 6 - Peak 9809 from cnoeabs.peaks (1.19, 1.01, 23.61 ppm; 3.80 A): 3 out of 3 assignments used, quality = 0.89: HB2 LEU 57 + QG1 VAL 83 OK 83 96 - 87 - 9819/2.1=28, 2.9/9797=21...(19) QG2 THR 34 + QG1 VAL 83 OK 23 84 - 27 - 2.1/9800=6, 8758/2.1=5...(8) HB2 LEU 6 + QG1 VAL 83 OK 14 96 - 14 - 3.1/9807=4, 2603/9797=2...(5) Peak 9810 from cnoeabs.peaks (1.33, 1.01, 23.61 ppm; 3.30 A): 6 out of 10 assignments used, quality = 0.92: QB ALA 89 + QG1 VAL 83 OK 71 98 - 73 - 2.1/9928=30, 9931/2.1=29...(12) HB2 LYS 82 + QG1 VAL 83 OK 44 92 - 48 - 3.0/9799=12, 4.6/3754=12...(8) HG LEU 14 + QG1 VAL 83 OK 29 70 - 42 - 2.1/9807=7, ~10402=7...(12) HG2 LYS 94 + QG1 VAL 83 OK 14 98 - 14 - 2.9/9814=3, 9818/2.1=2...(5) HB3 LEU 2 + QG1 VAL 83 OK 13 100 - 12 - 3.1/9808=3, 9818/2.1=2 QB ALA 67 + QG1 VAL 83 OK 11 99 - 11 - 9818/2.1=3, ~9518=2, 9821/2.1=1 HG2 LYS 39 - QG1 VAL 83 poor 9 87 - 10 - 9818/2.1=1, 3.0/9813=1 QB ALA 25 - QG1 VAL 83 lone 8 98 - 8 - 9818/2.1=1, 8624/2.1=1 HG3 LYS 68 - QG1 VAL 83 poor 7 73 - 10 - ~10256=2, 12321/2.1=2...(4) HB3 LEU 27 - QG1 VAL 83 lone 5 90 - 6 - 7344/4.0=1 Peak 9811 from cnoeabs.peaks (1.49, 1.01, 23.61 ppm; 4.38 A): 3 out of 11 assignments used, quality = 0.95: HG LEU 57 + QG1 VAL 83 OK 79 87 - 91 - 2.1/9808=26, 3.0/9809=25...(18) HB3 LEU 64 + QG1 VAL 83 OK 57 100 - 57 - 10761/2.1=10, 1.8/3756=8...(14) HG LEU 64 + QG1 VAL 83 OK 47 94 - 50 - 9817/2.1=7, 3.0/3756=7...(12) HB2 ARG 91 - QG1 VAL 83 OK 38 100 - 39 - 4.3/10993=11, 3.0/9824=7...(10) HG2 LYS 47 - QG1 VAL 83 OK 15 100 - 15 - 3.0/9814=4, 9817/2.1=2...(5) HG2 LYS 66 - QG1 VAL 83 OK 14 100 - 14 - 3.7/9823=4, 9817/2.1=1 HG3 LYS 66 - QG1 VAL 83 OK 14 99 - 14 - 3.7/9823=4, 9817/2.1=1 HG3 LYS 13 - QG1 VAL 83 OK 13 96 - 14 - 3.0/9814=3, 3.0/9814=3...(4) HG2 LYS 73 - QG1 VAL 83 lone 5 100 - 5 - HG3 LYS 33 - QG1 VAL 83 lone 4 77 - 5 - 2.8/9814=1, 2.8/9814=1 HG3 LYS 24 - QG1 VAL 83 lone 3 61 - 6 - 3.7/9823=2 Peak 9812 from cnoeabs.peaks (1.68, 1.01, 23.61 ppm; 5.05 A): 7 out of 17 assignments used, quality = 0.81: HB3 ARG 91 + QG1 VAL 83 OK 42 100 - 43 - 4.3/10993=15, 3.0/9824=8...(9) HG2 PRO 86 + QG1 VAL 83 OK 32 84 - 38 - 3.8/9823=14, 2.3/3756=5...(12) HD3 LYS 47 + QG1 VAL 83 OK 15 100 - 15 - 3.9/9814=4, ~9827=3...(4) HD2 LYS 47 + QG1 VAL 83 OK 15 100 - 15 - 3.9/9814=4, ~9827=3...(4) HG3 LYS 20 + QG1 VAL 83 OK 14 99 - 14 - 3.0/9814=5, ~9815=3...(4) HB ILE 52 + QG1 VAL 83 OK 14 94 - 15 - 3.2/9807=3, 10646/9055=3...(4) HD3 LYS 90 + QG1 VAL 83 OK 11 70 - 16 - 5.2/10943=8, 3.6/9813=4 HD2 LYS 20 - QG1 VAL 83 poor 10 100 - 10 - 3.5/9814=5 HD3 LYS 20 - QG1 VAL 83 lone 10 99 - 10 - 3.5/9814=5 HG LEU 70 - QG1 VAL 83 poor 9 61 - 14 - 2.1/9808=3, ~9804=3...(5) HB3 LYS 53 - QG1 VAL 83 lone 7 98 - 7 - ~9784=2, 9188/2540=1 HG12 ILE 15 - QG1 VAL 83 lone 5 81 - 7 - 3.2/9808=2 HD2 LYS 24 - QG1 VAL 83 lone 5 73 - 7 - 4.9/9823=2, ~9827=1 HD3 LYS 24 - QG1 VAL 83 lone 5 70 - 7 - 4.9/9823=2, ~9827=1 HD2 LYS 73 - QG1 VAL 83 lone 5 87 - 5 - HD3 LYS 73 - QG1 VAL 83 lone 4 81 - 5 - HB3 LYS 40 - QG1 VAL 83 lone 4 99 - 4 - ~10581=1 Peak 9813 from cnoeabs.peaks (1.81, 1.01, 23.61 ppm; 3.59 A): 3 out of 8 assignments used, quality = 0.92: HB2 GLU 88 + QG1 VAL 83 OK 69 100 - 69 - 9816/2.1=13, 1.8/9917=11...(18) HB3 LEU 57 + QG1 VAL 83 OK 64 73 - 87 - 1.8/9809=23, ~9819=22...(21) HB2 LYS 90 + QG1 VAL 83 OK 24 99 - 24 - 9816/2.1=5, 3.0/10943=5...(8) HB2 GLU 104 - QG1 VAL 83 OK 22 100 - 21 - 9816/2.1=4, 9822/2.1=3...(8) HB2 LEU 42 - QG1 VAL 83 OK 17 100 - 16 - 9816/2.1=3, 3.1/9807=3...(6) HB ILE 93 - QG1 VAL 83 OK 15 99 - 15 - 9816/2.1=3, 9822/2.1=2...(5) HB2 LYS 39 - QG1 VAL 83 OK 12 92 - 12 - 9816/2.1=2, 9822/2.1=2 HG2 ARG 46 - QG1 VAL 83 lone 7 70 - 10 - 3.0/10945=2, 4.1/9823=2 Peak 9814 from cnoeabs.peaks (1.92, 1.01, 23.61 ppm; 4.40 A): 6 out of 12 assignments used, quality = 0.57: HB2 LYS 94 + QG1 VAL 83 OK 19 100 - 19 - 9815/2.1=5, 2.9/9810=3...(8) HB3 LYS 20 + QG1 VAL 83 OK 14 90 - 16 - 4.6/9793=6, 9815/2.1=3...(5) HB3 LYS 47 + QG1 VAL 83 OK 12 100 - 12 - 9815/2.1=3, 3.0/9811=2...(5) HB2 LYS 13 + QG1 VAL 83 OK 11 97 - 12 - 9815/2.1=4, ~9815=2...(4) HB3 ARG 19 + QG1 VAL 83 OK 11 98 - 11 - 9815/2.1=3, ~8510=1, ~10260=1 HB3 LYS 13 + QG1 VAL 83 OK 11 94 - 12 - 9815/2.1=3, ~9815=3...(4) HB VAL 32 - QG1 VAL 83 lone 5 70 - 8 - 9815/2.1=2, ~10155=1 HB2 LYS 33 - QG1 VAL 83 lone 4 98 - 4 - 8757/9809=1 HB3 LYS 33 - QG1 VAL 83 lone 4 96 - 4 - 8757/9809=1 HB2 GLU 43 - QG1 VAL 83 lone 4 70 - 5 - 3.0/9824=1 HB2 MET 1 - QG1 VAL 83 lone 3 65 - 4 - 4.6/9792=2 HB2 GLU 17 - QG1 VAL 83 lone 2 65 - 3 - Peak 9815 from cnoeabs.peaks (1.93, 0.96, 21.21 ppm; 4.35 A): 7 out of 13 assignments used, quality = 0.78: HG3 GLU 88 + QG2 VAL 83 OK 42 65 - 64 - 3.0/9816=15, ~9917=12...(13) HB2 LYS 94 + QG2 VAL 83 OK 21 100 - 21 - 9814/2.1=7, 2.9/9818=3...(8) HB2 LYS 13 + QG2 VAL 83 OK 15 94 - 16 - 9814/2.1=4, ~9814=3...(5) HB3 LYS 20 + QG2 VAL 83 OK 14 94 - 15 - 4.6/9779=6, 9814/2.1=5...(4) HB3 LYS 47 + QG2 VAL 83 OK 14 100 - 14 - 9814/2.1=4, 4.9/9827=2...(5) HB3 LYS 13 + QG2 VAL 83 OK 14 90 - 16 - 9814/2.1=4, ~9814=3...(5) HB3 ARG 19 + QG2 VAL 83 OK 10 99 - 10 - 9814/2.1=4, 3.0/8510=2 HB VAL 32 - QG2 VAL 83 lone 6 77 - 8 - 9814/2.1=2, ~10155=1 HB2 LYS 33 - QG2 VAL 83 lone 4 96 - 4 - 9814/2.1=2, ~9814=1 HB3 LYS 33 - QG2 VAL 83 lone 4 92 - 4 - 9814/2.1=2, ~9814=1 HB2 GLU 43 - QG2 VAL 83 lone 3 61 - 6 - 3.0/9825=1, 9814/2.1=1 HB2 GLU 17 - QG2 VAL 83 lone 3 73 - 4 - HB2 MET 1 - QG2 VAL 83 lone 2 73 - 3 - 9814/2.1=1 Peak 9816 from cnoeabs.peaks (1.80, 0.96, 21.21 ppm; 3.70 A): 6 out of 7 assignments used, quality = 0.86: HB2 GLU 88 + QG2 VAL 83 OK 64 97 - 66 - ~9917=12, 9813/2.1=10...(15) HB2 LYS 90 + QG2 VAL 83 OK 24 92 - 26 - 4.1/9941=5, 3.0/9826=4...(8) HB2 GLU 104 + QG2 VAL 83 OK 19 97 - 19 - 9813/2.1=3, 9822/2.1=3...(7) HB2 LEU 42 + QG2 VAL 83 OK 16 99 - 16 - 3.1/9806=3, 9813/2.1=2...(6) HB ILE 93 + QG2 VAL 83 OK 16 100 - 16 - 9813/2.1=2, 9822/2.1=2...(6) HB2 LYS 39 + QG2 VAL 83 OK 12 99 - 12 - 9822/2.1=2, 9813/2.1=2...(4) HG3 ARG 46 - QG2 VAL 83 lone 4 77 - 5 - ~10945=2 Peak 9817 from cnoeabs.peaks (1.48, 0.96, 21.21 ppm; 4.26 A): 6 out of 12 assignments used, quality = 0.95: HG LEU 57 + QG2 VAL 83 OK 59 65 - 90 - 3.0/9819=38, 4.3/9783=21...(16) HB3 LEU 64 + QG2 VAL 83 OK 55 97 - 57 - 3.0/9476=10, 10761=9...(16) HG LEU 64 + QG2 VAL 83 OK 50 100 - 50 - 3.0/10761=8, 4.3/9476=8...(14) HB2 ARG 91 + QG2 VAL 83 OK 26 100 - 27 - 3.0/9825=6, 9811/2.1=4...(8) HG2 LYS 47 + QG2 VAL 83 OK 14 96 - 15 - 3.0/9815=3, 3.8/9827=2...(6) HG3 LYS 13 + QG2 VAL 83 OK 12 81 - 15 - 3.0/9815=3, 3.0/9815=3...(6) HG2 LYS 66 - QG2 VAL 83 lone 9 96 - 9 - 9811/2.1=2, ~9811=1 HG3 LYS 66 - QG2 VAL 83 lone 9 92 - 9 - 9811/2.1=2, ~9811=1 HG2 LYS 73 - QG2 VAL 83 lone 4 94 - 4 - HG3 LYS 53 - QG2 VAL 83 lone 4 77 - 5 - 3.9/9784=2 HD3 LYS 40 - QG2 VAL 83 lone 3 65 - 4 - ~10581=1 HD2 LYS 40 - QG2 VAL 83 lone 2 61 - 4 - ~10581=1 Peak 9818 from cnoeabs.peaks (1.33, 0.96, 21.21 ppm; 3.11 A): 3 out of 8 assignments used, quality = 0.77: QB ALA 89 + QG2 VAL 83 OK 63 87 - 72 - 9931=27, ~9928=15...(14) HB2 LYS 82 + QG2 VAL 83 OK 30 73 - 41 - 4.6/3748=12, 3.0/9785=12...(7) QB ALA 67 + QG2 VAL 83 OK 14 92 - 15 - 2981/9476=2, 4.9/8510=2...(6) HG2 LYS 94 - QG2 VAL 83 poor 10 87 - 11 - 2.9/9815=2, 9810/2.1=2...(4) HB3 LEU 2 - QG2 VAL 83 lone 8 98 - 8 - 9810/2.1=2, ~9808=1 HG2 LYS 39 - QG2 VAL 83 lone 6 65 - 9 - 3.0/9816=2, 9810/2.1=1 QB ALA 25 - QG2 VAL 83 lone 5 87 - 5 - 9810/2.1=1 HB3 LEU 27 - QG2 VAL 83 lone 3 70 - 5 - Peak 9819 from cnoeabs.peaks (1.20, 0.96, 21.21 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.81: HB2 LEU 57 + QG2 VAL 83 OK 81 99 - 82 - 9820/2.1=18, 2.9/9783=17...(19) Peak 9820 from cnoeabs.peaks (1.20, 2.11, 35.30 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.95: HB2 LEU 57 + HB VAL 83 OK 95 99 - 95 - 9819/2.1=49, 9809/2.1=24...(18) Peak 9821 from cnoeabs.peaks (1.34, 2.11, 35.30 ppm; 4.06 A): 3 out of 10 assignments used, quality = 0.97: QB ALA 89 + HB VAL 83 OK 86 100 - 86 - 9931/2.1=40, ~9928=27...(13) HB2 LYS 82 + HB VAL 83 OK 57 99 - 58 - 3658/4.0=18, ~9785=12...(8) HG LEU 14 + HB VAL 83 OK 49 90 - 54 - ~10402=10, 2.1/9805=10...(12) HG2 LYS 94 - HB VAL 83 OK 21 100 - 21 - ~9814=3, 9810/2.1=3...(8) QB ALA 67 - HB VAL 83 OK 17 100 - 17 - 9818/2.1=3, ~9518=3...(5) HG3 LYS 68 - HB VAL 83 OK 16 92 - 18 - 12321/2.1=5, ~10256=4...(5) HG2 LYS 39 - HB VAL 83 OK 15 98 - 15 - 12321/2.1=2, 3.0/9822=2...(5) HB3 LEU 2 - HB VAL 83 OK 13 98 - 14 - 3.1/9804=3, 9810/2.1=2...(4) QB ALA 25 - HB VAL 83 OK 11 100 - 11 - 8624=2, 9810/2.1=2, 9818/2.1=1 HB3 LEU 27 - HB VAL 83 lone 8 99 - 8 - 7344/4.0=2, 9810/2.1=1 Peak 9822 from cnoeabs.peaks (1.81, 2.11, 35.30 ppm; 3.83 A): 3 out of 8 assignments used, quality = 0.92: HB2 GLU 88 + HB VAL 83 OK 70 100 - 70 - 9816/2.1=14, ~9917=12...(16) HB3 LEU 57 + HB VAL 83 OK 63 73 - 86 - ~9819=25, 1.8/9820=24...(17) HB2 LYS 90 + HB VAL 83 OK 24 99 - 25 - 9816/2.1=5, ~10943=4...(8) HB2 GLU 104 - HB VAL 83 OK 21 100 - 21 - 9816/2.1=4, 9813/2.1=4...(6) HB2 LEU 42 - HB VAL 83 OK 17 100 - 17 - 9816/2.1=4, 3.1/9805=3...(6) HB ILE 93 - HB VAL 83 OK 15 99 - 16 - 9816/2.1=4, 3.2/10318=3...(5) HB2 LYS 39 - HB VAL 83 OK 13 92 - 14 - 9816/2.1=3, 9813/2.1=2...(4) HG2 ARG 46 - HB VAL 83 lone 5 70 - 7 - ~10945=2, 9813/2.1=1 Peak 9823 from cnoeabs.peaks (4.08, 1.01, 23.61 ppm; 5.57 A): 3 out of 4 assignments used, quality = 0.56: HA PRO 86 + QG1 VAL 83 OK 40 96 - 42 - 9854/9927=6, 2.3/3756=6...(13) HA LYS 66 + QG1 VAL 83 OK 16 99 - 16 - 3.7/9811=2, 3.7/9811=2...(5) HA ARG 46 + QG1 VAL 83 OK 12 96 - 13 - 5.2/10945=4, 4.1/9813=1 HA LYS 24 - QG1 VAL 83 poor 6 61 - 10 - 10971/9810=2, 4.8/9810=2 Peak 9824 from cnoeabs.peaks (3.90, 1.01, 23.61 ppm; 3.35 A): 3 out of 8 assignments used, quality = 0.90: HA ALA 89 + QG1 VAL 83 OK 82 99 - 83 - 9928=45, ~9931=16...(17) HA ARG 91 + QG1 VAL 83 OK 27 96 - 28 - 3.6/10993=7, 9825/2.1=5...(9) HB2 SER 85 + QG1 VAL 83 OK 23 97 - 24 - 4.0/9793=6, 9825/2.1=4...(5) HA GLU 35 - QG1 VAL 83 lone 7 94 - 7 - 9825/2.1=1, 9829/2.1=1 HA GLU 43 - QG1 VAL 83 lone 5 84 - 6 - 9825/2.1=1 HA3 GLY 101 - QG1 VAL 83 lone 4 100 - 4 - HB2 SER 102 - QG1 VAL 83 lone 4 100 - 4 - HA GLU 63 - QG1 VAL 83 lone 2 65 - 3 - Peak 9825 from cnoeabs.peaks (3.89, 0.96, 21.21 ppm; 3.69 A): 3 out of 8 assignments used, quality = 0.85: HA ALA 89 + QG2 VAL 83 OK 73 90 - 81 - 9928/2.1=32, 2.1/9931=31...(18) HA ARG 91 + QG2 VAL 83 OK 26 100 - 26 - 9824/2.1=6, 9829/2.1=5...(9) HB2 SER 85 + QG2 VAL 83 OK 24 84 - 29 - 4.0/9779=11, 9824/2.1=5...(6) HA GLU 35 - QG2 VAL 83 lone 8 100 - 8 - 9824/2.1=2, 9829/2.1=2 HA GLU 43 - QG2 VAL 83 lone 6 97 - 6 - 9824/2.1=1, 9829/2.1=1 HA3 GLY 101 - QG2 VAL 83 lone 5 100 - 5 - 9824/2.1=1 HB2 SER 102 - QG2 VAL 83 lone 5 99 - 4 - HA LEU 38 - QG2 VAL 83 lone 2 73 - 3 - Peak 9826 from cnoeabs.peaks (3.67, 0.96, 21.21 ppm; 5.20 A): 3 out of 4 assignments used, quality = 0.95: HA GLU 88 + QG2 VAL 83 OK 70 84 - 84 - 3.6/9780=20, 3.0/9816=19...(18) HB THR 80 + QG2 VAL 83 OK 59 97 - 60 - 4.4/9787=27, 9702/4.0=10...(20) HA LYS 90 + QG2 VAL 83 OK 58 100 - 59 - 4.8/9825=16, 3.0/9941=13...(13) HA LEU 14 - QG2 VAL 83 OK 35 92 - 39 - 4.0/9806=12...(9) Peak 9827 from cnoeabs.peaks (2.97, 0.96, 21.21 ppm; 6.28 A): 0 out of 10 assignments used, low quality = 0.39: HE2 LYS 13 - QG2 VAL 83 OK 12 98 - 12 - 5.0/9815=4, 5.0/9815=3 HE3 LYS 13 - QG2 VAL 83 OK 12 96 - 12 - 5.0/9815=4, 5.0/9815=3 HE2 LYS 47 - QG2 VAL 83 OK 11 96 - 12 - 4.9/9815=4, 3.8/9817=3, ~9812=2 HE3 LYS 47 - QG2 VAL 83 OK 11 96 - 12 - 4.9/9815=4, 3.8/9817=3, ~9812=2 HE3 LYS 12 - QG2 VAL 83 lone 4 100 - 4 - HE3 LYS 24 - QG2 VAL 83 lone 4 99 - 4 - HE2 LYS 24 - QG2 VAL 83 lone 4 99 - 4 - HB3 PHE 45 - QG2 VAL 83 lone 4 100 - 4 - HE2 LYS 73 - QG2 VAL 83 lone 4 77 - 5 - HB2 PHE 45 - QG2 VAL 83 lone 3 70 - 4 - Peak 9828 from cnoeabs.peaks (4.02, 0.96, 21.21 ppm; 5.26 A): 2 out of 4 assignments used, quality = 0.50: HB3 SER 59 + QG2 VAL 83 OK 44 73 - 60 - 3.0/9784=31, 1.8/9407=23...(4) HA LEU 70 + QG2 VAL 83 OK 11 100 - 11 - ~10275=2, ~10277=1 HA GLU 95 - QG2 VAL 83 lone 5 100 - 5 - 11012/9931=1 HA GLU 75 - QG2 VAL 83 lone 1 57 - 2 - Peak 9829 from cnoeabs.peaks (3.89, 2.11, 35.30 ppm; 4.25 A): 4 out of 8 assignments used, quality = 0.91: HA ALA 89 + HB VAL 83 OK 79 90 - 89 - 9928/2.1=37, ~9931=26...(17) HB2 SER 85 + HB VAL 83 OK 31 84 - 37 - 4.0/9774=14, 9825/2.1=7...(5) HA ARG 91 + HB VAL 83 OK 30 100 - 31 - 9824/2.1=7, 9825/2.1=7...(9) HA GLU 35 + HB VAL 83 OK 10 100 - 10 - 9825/2.1=2, 9824/2.1=2...(4) HA GLU 43 - HB VAL 83 lone 7 97 - 7 - 9825/2.1=2, 9824/2.1=1 HA3 GLY 101 - HB VAL 83 lone 5 100 - 5 - 9825/2.1=1, 9824/2.1=1 HB2 SER 102 - HB VAL 83 lone 5 99 - 4 - 9825/2.1=1, 9824/2.1=1 HA LEU 38 - HB VAL 83 lone 3 73 - 5 - 2.9/6584=1 Peak 9835 from cnoeabs.peaks (0.68, 4.44, 70.10 ppm; 5.04 A): 4 out of 5 assignments used, quality = 0.68: QD1 LEU 14 + HB THR 84 OK 51 99 - 52 - 10413/4.7=16...(7) QG2 VAL 58 + HB THR 84 OK 16 98 - 16 - 9830/4.0=6, 4.2/9403=5...(4) QD1 LEU 42 + HB THR 84 OK 12 97 - 12 - 9830/4.0=4, 9864/4.7=3 QD2 LEU 6 + HB THR 84 OK 11 99 - 11 - 9864/4.7=5, 9830/4.0=5 QD1 ILE 52 - HB THR 84 poor 9 84 - 11 - 9173=3, 9830/4.0=3, 9864/4.7=3 Peak 9836 from cnoeabs.peaks (0.65, 4.58, 60.96 ppm; 5.03 A): 0 out of 3 assignments used, low quality = 0.13: QG2 VAL 54 - HA THR 84 OK 13 99 - 13 - ~10662=11 QD1 LEU 29 - HA THR 84 lone 3 100 - 3 - QD2 LEU 29 - HA THR 84 lone 3 96 - 3 - Peak 9838 from cnoeabs.peaks (1.57, 1.24, 21.00 ppm; 4.62 A): 2 out of 9 assignments used, quality = 0.64: HD3 LYS 82 + QG2 THR 84 OK 59 100 - 59 - 3.0/9841=31, 3.0/9840=29 HG2 ARG 19 + QG2 THR 84 OK 12 73 - 17 - 4.9/8526=5, 1.8/10947=5...(5) HB2 LEU 3 - QG2 THR 84 poor 9 73 - 13 - ~8083=3, ~8084=3...(5) HB3 GLU 28 - QG2 THR 84 lone 5 98 - 5 - 3.0/9839=1, 3.0/9839=1 HD3 LYS 53 - QG2 THR 84 lone 4 70 - 5 - 5.3/9843=2 HG LEU 103 - QG2 THR 84 lone 2 84 - 3 - HG3 LYS 90 - QG2 THR 84 lone 2 77 - 3 - HB2 LEU 103 - QG2 THR 84 lone 2 73 - 2 - HG2 LYS 24 - QG2 THR 84 lone 1 70 - 2 - Peak 9839 from cnoeabs.peaks (2.08, 1.24, 21.00 ppm; 4.97 A): 0 out of 12 assignments used, low quality = 0.27: HB3 GLU 88 - QG2 THR 84 OK 27 100 - 27 - 4.3/10976=16, 10299/4.3=11 QE MET 21 - QG2 THR 84 poor 8 65 - 12 - 6.1/8560=7, 993/4.3=3 HB2 GLU 16 - QG2 THR 84 lone 5 99 - 5 - 4.0/8472=3 HB2 GLU 23 - QG2 THR 84 lone 5 98 - 5 - 7403/10976=2 HB3 GLU 35 - QG2 THR 84 lone 3 100 - 3 - HG2 GLU 28 - QG2 THR 84 lone 2 70 - 3 - 3.0/9838=2 HG3 GLU 28 - QG2 THR 84 lone 2 70 - 3 - 3.0/9838=2 HB3 GLU 62 - QG2 THR 84 lone 2 96 - 2 - HB3 LEU 38 - QG2 THR 84 lone 2 96 - 2 - HG3 GLU 104 - QG2 THR 84 lone 2 70 - 2 - HB3 GLU 43 - QG2 THR 84 lone 1 73 - 2 - HB2 MET 74 - QG2 THR 84 lone 1 65 - 1 - Peak 9840 from cnoeabs.peaks (2.72, 1.24, 21.00 ppm; 4.40 A): 0 out of 4 assignments used, low quality = 0.32: HE2 LYS 82 - QG2 THR 84 OK 32 61 - 52 - 1.8/9841=35, 3.0/9838=18 HB3 ASP 61 - QG2 THR 84 lone 2 84 - 2 - HB2 ASP 65 - QG2 THR 84 lone 2 99 - 2 - HB2 ASN 26 - QG2 THR 84 lone 1 70 - 2 - Peak 9841 from cnoeabs.peaks (2.87, 1.24, 21.00 ppm; 4.47 A): 0 out of 3 assignments used, low quality = 0.40: HE3 LYS 82 - QG2 THR 84 OK 40 77 - 52 - 1.8/9840=34, 3.0/9838=19 HE2 LYS 39 - QG2 THR 84 lone 3 100 - 3 - HE3 LYS 39 - QG2 THR 84 lone 1 97 - 1 - Peak 9843 from cnoeabs.peaks (5.05, 1.24, 21.00 ppm; 4.99 A): 0 out of 2 assignments used, low quality = 0.24: HA SER 59 - QG2 THR 84 OK 24 92 - 26 - ~9404=8, ~9405=8...(5) HA LYS 53 - QG2 THR 84 lone 3 94 - 3 - Peak 9845 from cnoeabs.peaks (7.57, 3.90, 64.38 ppm; 4.69 A): 4 out of 4 assignments used, quality = 0.88: H GLU 88 + HB2 SER 85 OK 65 100 - 66 - 9847/1.8=17, 4.5/9846=12...(16) H LYS 24 + HB2 SER 85 OK 46 99 - 47 - 9847/1.8=11, 10951/4.0=8...(10) H LEU 14 + HB2 SER 85 OK 20 73 - 27 - 4.8/10955=7, 4.8/10955=6...(6) H ILE 76 + HB2 SER 85 OK 19 96 - 19 - 9847/1.8=5, 10951/4.0=3...(6) Peak 9846 from cnoeabs.peaks (8.13, 3.90, 64.38 ppm; 4.56 A): 3 out of 4 assignments used, quality = 0.87: H ASP 87 + HB2 SER 85 OK 68 99 - 69 - 9849/1.8=22, 9898/3.0=20...(11) H TRP 92 + HB2 SER 85 OK 45 100 - 46 - 9849/1.8=11, 10954/3.0=8...(17) H GLY 100 + HB2 SER 85 OK 24 100 - 23 - 7618/1.8=10, 10954/3.0=5...(4) H HIS 106 - HB2 SER 85 lone 1 61 - 1 - Peak 9847 from cnoeabs.peaks (7.57, 4.19, 64.38 ppm; 4.78 A): 4 out of 4 assignments used, quality = 0.86: H GLU 88 + HB3 SER 85 OK 62 100 - 63 - 9845/1.8=18, 4.5/9849=14...(10) H LYS 24 + HB3 SER 85 OK 42 99 - 42 - 9845/1.8=13, 10951/4.0=8...(11) H LEU 14 + HB3 SER 85 OK 20 73 - 27 - 4.8/9876=12, 9845/1.8=5...(5) H ILE 76 + HB3 SER 85 OK 18 96 - 19 - 9845/1.8=5, 10951/4.0=4...(6) Peak 9848 from cnoeabs.peaks (7.43, 4.19, 64.38 ppm; 5.97 A): 3 out of 3 assignments used, quality = 0.71: H ALA 89 + HB3 SER 85 OK 56 98 - 58 - 10303/4.0=18...(12) HE3 TRP 92 + HB3 SER 85 OK 25 100 - 25 - 5.9/9849=8, 9844/4.0=8...(7) HE22 GLN 72 + HB3 SER 85 OK 11 92 - 12 - 9844/4.0=6, 8402/9876=2 Peak 9849 from cnoeabs.peaks (8.13, 4.19, 64.38 ppm; 4.18 A): 3 out of 4 assignments used, quality = 0.82: H ASP 87 + HB3 SER 85 OK 63 99 - 64 - 9898/3.0=17, 9846/1.8=16...(13) H TRP 92 + HB3 SER 85 OK 32 100 - 32 - 9846/1.8=11, 10954/3.0=6...(9) H GLY 100 + HB3 SER 85 OK 28 100 - 28 - 7618=8, 9846/1.8=6...(7) H HIS 106 - HB3 SER 85 lone 1 61 - 1 - Peak 9850 from cnoeabs.peaks (7.69, 3.98, 50.67 ppm; 5.07 A): 2 out of 6 assignments used, quality = 1.00: H SER 85 + HD3 PRO 86 OK 100 100 - 100 - 4.8=100 H SER 85 + HD2 PRO 86 OK 100 100 - 100 - 4.8=100 H MET 21 - HD3 PRO 86 OK 25 99 - 25 - 3775/3.8=6, 6337/3.0=4...(7) H MET 21 - HD2 PRO 86 OK 24 99 - 25 - 3775/3.8=6, 6337/3.0=4...(7) HD22 ASN 51 - HD3 PRO 86 OK 10 99 - 10 - 3775/3.8=3, 3779/4.9=2 HD22 ASN 51 - HD2 PRO 86 OK 10 99 - 10 - 3775/3.8=3, 3779/4.9=2 Peak 9851 from cnoeabs.peaks (7.57, 3.98, 50.67 ppm; 5.92 A): 6 out of 8 assignments used, quality = 1.00: H GLU 88 + HD3 PRO 86 OK 76 100 - 76 - 4.5/7382=20, 9845/4.9=15...(19) H GLU 88 + HD2 PRO 86 OK 75 100 - 76 - 4.5/7382=20, 9845/4.9=15...(19) H LYS 24 + HD3 PRO 86 OK 70 100 - 70 - 9845/4.9=11...(22) H LYS 24 + HD2 PRO 86 OK 70 100 - 70 - 9845/4.9=11...(22) H LEU 14 + HD3 PRO 86 OK 50 61 - 82 - 4.8/12017=19...(21) H LEU 14 + HD2 PRO 86 OK 50 61 - 81 - 4.8/12017=19...(21) H ILE 76 - HD3 PRO 86 OK 32 90 - 36 - 10951/4.8=4, 9847/4.9=4...(12) H ILE 76 - HD2 PRO 86 OK 32 89 - 36 - 10951/4.8=4, 9847/4.9=4...(12) Peak 9852 from cnoeabs.peaks (8.04, 4.09, 65.04 ppm; 5.01 A): 2 out of 3 assignments used, quality = 0.81: H LYS 90 + HA PRO 86 OK 78 96 - 82 - 10963/3.5=26, 9950=23...(17) H ARG 46 + HA PRO 86 OK 12 77 - 15 - 10963/3.5=3, ~3815=1...(4) H GLY 101 - HA PRO 86 lone 7 77 - 9 - 4.6/3814=4, 10963/3.5=2 Peak 9853 from cnoeabs.peaks (7.56, 4.09, 65.04 ppm; 5.28 A): 4 out of 4 assignments used, quality = 0.96: H LEU 14 + HA PRO 86 OK 80 99 - 81 - 3.0/8422=24, 4.8/8411=22...(16) H GLU 88 + HA PRO 86 OK 51 77 - 66 - 4.6/9854=21, 7386/3.5=17...(15) H ILE 76 + HA PRO 86 OK 39 99 - 40 - 9856/2.3=6, 4.1/3811=6...(15) H LYS 24 + HA PRO 86 OK 37 70 - 54 - 7386/3.5=10, 9856/2.3=6...(19) Peak 9854 from cnoeabs.peaks (7.42, 4.09, 65.04 ppm; 4.29 A): 2 out of 3 assignments used, quality = 0.73: H ALA 89 + HA PRO 86 OK 63 100 - 63 - 2.9/10971=19...(14) HE3 TRP 92 + HA PRO 86 OK 25 98 - 26 - 9897/3.5=7, 9857/2.3=5...(9) HE22 GLN 72 - HA PRO 86 lone 6 73 - 9 - 9897/3.5=2, 8402/8411=1...(4) Peak 9855 from cnoeabs.peaks (5.12, 4.09, 65.04 ppm; 5.56 A): 3 out of 4 assignments used, quality = 0.85: HA SER 85 + HA PRO 86 OK 70 70 - 100 - 4.8=100 HA LEU 3 + HA PRO 86 OK 33 94 - 35 - ~10958=12, 9891/3.8=10...(6) HA ILE 7 + HA PRO 86 OK 27 87 - 31 - 9898/3.5=7, 9891/3.8=6...(8) HA VAL 5 - HA PRO 86 lone 3 84 - 3 - Peak 9856 from cnoeabs.peaks (7.56, 2.10, 31.71 ppm; 5.84 A): 3 out of 4 assignments used, quality = 0.96: H LEU 14 + HB3 PRO 86 OK 83 99 - 83 - ~8422=23, 9853/2.3=17...(19) H GLU 88 + HB3 PRO 86 OK 58 77 - 75 - 7386/3.9=18, 4.6/9857=17...(21) H LYS 24 + HB3 PRO 86 OK 45 70 - 65 - 7386/3.9=11, 3.0/3823=9...(22) H ILE 76 - HB3 PRO 86 OK 43 99 - 43 - 4.6/10953=9, 9853/2.3=8...(14) Peak 9857 from cnoeabs.peaks (7.42, 2.10, 31.71 ppm; 6.33 A): 2 out of 2 assignments used, quality = 0.93: H ALA 89 + HB3 PRO 86 OK 87 98 - 89 - 9924/4.9=34, 9854/2.3=32...(25) HE3 TRP 92 + HB3 PRO 86 OK 42 87 - 49 - 9854/2.3=13, 5.9/3830=10...(9) Peak 9858 from cnoeabs.peaks (5.13, 2.10, 31.71 ppm; 5.41 A): 3 out of 4 assignments used, quality = 0.93: HA SER 85 + HB3 PRO 86 OK 84 99 - 85 - 3790/3.0=24, 3790/3.0=24...(16) HA LEU 3 + HB3 PRO 86 OK 37 99 - 38 - ~10958=13, 9891/2.3=8...(7) HA ILE 7 + HB3 PRO 86 OK 34 100 - 34 - 9898/3.9=6, 9855/2.3=5...(11) HA TYR 4 - HB3 PRO 86 lone 7 90 - 8 - 9898/3.9=1, ~8138=1 Peak 9866 from cnoeabs.peaks (1.92, 5.14, 55.20 ppm; 4.99 A): 4 out of 12 assignments used, quality = 0.47: HB3 LYS 20 + HA SER 85 OK 26 90 - 30 - 881/3.0=6, ~869=6...(7) HB2 LYS 13 + HA SER 85 OK 11 97 - 11 - 9894/4.8=2, 8387/9867=2...(6) HB2 LYS 94 + HA SER 85 OK 11 100 - 11 - 9894/4.8=4, 9892/3.8=1...(4) HB3 LYS 13 + HA SER 85 OK 10 94 - 11 - 9894/4.8=2, 8387/9867=2...(6) HB3 LYS 47 - HA SER 85 lone 9 100 - 9 - 9894/4.8=2, ~9860=2 HB2 MET 1 - HA SER 85 lone 6 65 - 9 - 9894/4.8=3, ~8001=2 HB VAL 32 - HA SER 85 lone 4 70 - 6 - 9894/4.8=2 HB3 ARG 19 - HA SER 85 lone 4 98 - 4 - HB2 LYS 33 - HA SER 85 lone 3 98 - 3 - HB3 LYS 33 - HA SER 85 lone 3 96 - 3 - HB2 GLU 43 - HA SER 85 lone 3 70 - 4 - HB2 GLU 17 - HA SER 85 lone 2 65 - 4 - 9894/4.8=2 Peak 9867 from cnoeabs.peaks (0.69, 5.14, 55.20 ppm; 4.22 A): 5 out of 6 assignments used, quality = 0.84: QD1 LEU 14 + HA SER 85 OK 66 92 - 72 - 8424=18, 10413/3.0=14...(14) QD2 LEU 6 + HA SER 85 OK 26 100 - 26 - 9864/3.0=5, 2.1/8226=4...(8) QG2 VAL 58 + HA SER 85 OK 17 87 - 19 - 9864/3.0=4, 9881/4.8=3...(6) QD1 LEU 42 + HA SER 85 OK 13 100 - 13 - 9864/3.0=3, 10955/3.0=2...(4) QD1 ILE 52 + HA SER 85 OK 12 97 - 12 - 9864/3.0=3, 10955/3.0=2 QD1 ILE 56 - HA SER 85 lone 4 57 - 6 - 9864/3.0=2, 10955/3.0=1 Peak 9868 from cnoeabs.peaks (2.48, 3.90, 64.38 ppm; 5.52 A): 5 out of 5 assignments used, quality = 0.88: HB3 ASP 87 + HB2 SER 85 OK 43 84 - 51 - 4.0/9846=18, 4.6/9845=14...(8) HB2 ASP 87 + HB2 SER 85 OK 43 84 - 51 - 4.0/9846=18, 4.6/9845=14...(8) HD2 ARG 91 + HB2 SER 85 OK 36 100 - 36 - 9872/1.8=9, 3.5/9871=3...(13) HG3 GLU 23 + HB2 SER 85 OK 36 98 - 36 - 2.9/9869=11, 9872/1.8=9...(8) HG3 GLU 98 + HB2 SER 85 OK 15 90 - 16 - 9872/1.8=7, ~4385=3...(5) Peak 9869 from cnoeabs.peaks (2.17, 3.90, 64.38 ppm; 5.13 A): 0 out of 9 assignments used, low quality = 0.39: HB3 GLU 23 - HB2 SER 85 OK 21 70 - 31 - 1.8/9870=9, 4.6/9845=9...(6) HG3 GLU 75 - HB2 SER 85 OK 12 99 - 12 - ~9873=4, 9873/1.8=3...(4) HG2 GLU 75 - HB2 SER 85 OK 12 100 - 12 - ~9873=4, 9873/1.8=3...(4) HB3 GLU 75 - HB2 SER 85 poor 9 61 - 14 - 9873/1.8=4, 4.1/9845=4...(4) HB2 GLN 72 - HB2 SER 85 lone 5 97 - 5 - 9560/4.9=1, 9560/4.9=1 HB3 GLU 16 - HB2 SER 85 lone 5 99 - 5 - 1.8/9870=1 HB3 GLU 95 - HB2 SER 85 lone 3 87 - 3 - HG2 GLU 43 - HB2 SER 85 lone 2 65 - 3 - HB3 GLN 50 - HB2 SER 85 lone 2 99 - 2 - Peak 9870 from cnoeabs.peaks (2.09, 3.90, 64.38 ppm; 4.52 A): 4 out of 9 assignments used, quality = 0.84: HB3 PRO 86 + HB2 SER 85 OK 62 87 - 71 - 3.9/9846=13, ~9873=10...(15) HB2 GLU 23 + HB2 SER 85 OK 30 98 - 31 - 1.8/9869=9, 4.6/9845=7...(7) HB3 GLU 88 + HB2 SER 85 OK 28 77 - 36 - 3.9/9845=11, 1.8/10307=6...(7) QE MET 21 + HB2 SER 85 OK 19 98 - 19 - 993/4.0=6, 9874/1.8=2...(4) HG3 GLU 104 - HB2 SER 85 lone 6 99 - 6 - 3.0/10307=1 HB3 GLU 35 - HB2 SER 85 lone 4 87 - 5 - HB3 GLU 62 - HB2 SER 85 lone 4 99 - 4 - 4.6/7019=1 HB2 GLU 16 - HB2 SER 85 lone 4 70 - 6 - 1.8/9869=2 HG3 GLU 37 - HB2 SER 85 lone 3 70 - 4 - Peak 9871 from cnoeabs.peaks (1.69, 3.90, 64.38 ppm; 5.83 A): 3 out of 21 assignments used, quality = 0.95: HG2 PRO 86 + HB2 SER 85 OK 84 99 - 84 - ~3790=19, ~3788=19...(14) HB3 ARG 91 + HB2 SER 85 OK 44 98 - 45 - 4.3/9846=12, 3.5/9868=7...(14) HD3 LYS 90 + HB2 SER 85 OK 42 96 - 45 - 10315/1.8=22, ~9954=9...(8) HD2 LYS 24 - HB2 SER 85 OK 26 97 - 27 - 6.3/9845=8, ~9954=6...(8) HD3 LYS 24 - HB2 SER 85 OK 26 96 - 27 - 6.3/9845=8, ~9954=6...(8) HD2 LYS 12 - HB2 SER 85 OK 19 87 - 21 - 10315/1.8=6, ~10315=6...(5) HD3 LYS 12 - HB2 SER 85 OK 19 87 - 21 - 10315/1.8=6, ~10315=6...(5) HD3 LYS 66 - HB2 SER 85 OK 18 84 - 21 - 1.8/9509=4, 3.6/2884=2...(10) HB3 LYS 53 - HB2 SER 85 OK 14 100 - 14 - 9203/3.0=5, ~9202=3 HG3 LYS 20 - HB2 SER 85 OK 14 81 - 17 - ~9866=8, 903/4.0=6 HG LEU 70 - HB2 SER 85 OK 11 92 - 12 - 3837/4.9=2, 3837/4.9=2...(4) HG12 ILE 15 - HB2 SER 85 OK 11 99 - 11 - 10315/1.8=5, 10956/3.0=1 HD3 LYS 47 - HB2 SER 85 lone 10 97 - 10 - HD2 LYS 47 - HB2 SER 85 lone 9 96 - 10 - HD2 LYS 13 - HB2 SER 85 poor 9 87 - 11 - 10956/3.0=2, ~10956=1, ~9875=1 HB ILE 52 - HB2 SER 85 poor 8 65 - 12 - 3.2/10955=3, ~9867=2...(4) HD3 LYS 13 - HB2 SER 85 poor 8 81 - 10 - 10956/3.0=2, ~10956=1, ~9875=1 HB2 LEU 2 - HB2 SER 85 lone 8 84 - 10 - 10956/3.0=1, 3802/4.9=1 HD2 LYS 20 - HB2 SER 85 lone 7 90 - 7 - 914/4.0=3 HD3 LYS 20 - HB2 SER 85 lone 5 81 - 7 - 914/4.0=2 HB3 LYS 40 - HB2 SER 85 lone 4 99 - 4 - Peak 9872 from cnoeabs.peaks (2.48, 4.19, 64.38 ppm; 4.79 A): 5 out of 5 assignments used, quality = 0.81: HB3 ASP 87 + HB3 SER 85 OK 34 84 - 41 - 4.0/9849=16, 4.6/9847=11...(7) HB2 ASP 87 + HB3 SER 85 OK 34 84 - 41 - 4.0/9849=16, 4.6/9847=11...(7) HD2 ARG 91 + HB3 SER 85 OK 28 100 - 28 - 9868/1.8=6, 9893/4.9=2...(12) HG3 GLU 23 + HB3 SER 85 OK 26 98 - 26 - ~9869=7, 9868/1.8=6...(8) HG3 GLU 98 + HB3 SER 85 OK 19 90 - 20 - 4392=5, 1.8/4385=4...(7) Peak 9873 from cnoeabs.peaks (2.18, 4.19, 64.38 ppm; 4.86 A): 5 out of 12 assignments used, quality = 0.80: HG3 PRO 86 + HB3 SER 85 OK 63 84 - 75 - ~3790=14, ~3788=14...(14) HB3 GLU 75 + HB3 SER 85 OK 20 97 - 21 - ~9869=4, 4.1/9847=4...(7) HG3 GLU 75 + HB3 SER 85 OK 14 96 - 14 - ~9869=5, 9869/1.8=5...(5) HG2 GLU 75 + HB3 SER 85 OK 13 92 - 14 - ~9869=5, 9869/1.8=5...(5) HB2 GLU 63 + HB3 SER 85 OK 11 77 - 14 - ~2780=3, 2773/1.8=2...(5) HG2 GLU 35 - HB3 SER 85 lone 5 81 - 6 - HG3 GLU 35 - HB3 SER 85 lone 5 81 - 6 - HG2 MET 1 - HB3 SER 85 lone 5 73 - 6 - ~9866=1, ~10353=1 HB2 GLN 72 - HB3 SER 85 lone 4 61 - 7 - 4.4/9848=2, 9869/1.8=2 HG2 GLU 43 - HB3 SER 85 lone 4 98 - 4 - HB3 GLU 16 - HB3 SER 85 lone 3 70 - 5 - 9869/1.8=2 HB3 GLN 50 - HB3 SER 85 lone 2 96 - 2 - Peak 9874 from cnoeabs.peaks (2.10, 4.19, 64.38 ppm; 4.69 A): 3 out of 9 assignments used, quality = 0.93: HB3 PRO 86 + HB3 SER 85 OK 76 100 - 76 - 3.9/9849=16, 2.3/9873=15...(16) HB2 PRO 86 + HB3 SER 85 OK 56 77 - 73 - 3.9/9849=16, 2.3/9873=15...(14) HB VAL 83 + HB3 SER 85 OK 35 96 - 37 - 9774/4.0=16, 9829/1.8=7...(8) QE MET 21 - HB3 SER 85 OK 20 98 - 21 - 993/4.0=6, 9870/1.8=4...(7) HB2 GLU 23 - HB3 SER 85 OK 20 65 - 31 - ~9869=8, 4.6/9847=7...(6) HB2 LEU 64 - HB3 SER 85 lone 7 96 - 8 - 9859/4.0=2, 9474/9876=1 HG3 GLU 104 - HB3 SER 85 lone 5 97 - 6 - 9870/1.8=1, 9859/4.0=1 HG3 GLU 37 - HB3 SER 85 lone 4 99 - 4 - HB3 GLU 62 - HB3 SER 85 lone 2 73 - 3 - Peak 9875 from cnoeabs.peaks (1.70, 4.19, 64.38 ppm; 5.22 A): 4 out of 17 assignments used, quality = 0.92: HG2 PRO 86 + HB3 SER 85 OK 78 96 - 81 - 1.8/9873=19, ~3790=16...(14) HD3 LYS 90 + HB3 SER 85 OK 39 99 - 40 - 10315=21, 2.9/9954=9...(8) HB3 ARG 91 + HB3 SER 85 OK 25 65 - 38 - 4.3/9849=9, 3.5/9872=7...(13) HD3 LYS 24 + HB3 SER 85 OK 23 99 - 24 - 3.0/9954=6, 6.3/9847=6...(6) HD2 LYS 24 - HB3 SER 85 OK 23 99 - 24 - 3.0/9954=6, 6.3/9847=6...(6) HD3 LYS 12 - HB3 SER 85 OK 20 100 - 20 - 10315=6, 1.8/10315=5...(6) HD2 LYS 12 - HB3 SER 85 OK 20 100 - 20 - 10315=6, 1.8/10315=5...(6) HD3 LYS 66 - HB3 SER 85 OK 12 100 - 12 - ~9509=2, 10956/3.0=2...(5) HG LEU 70 - HB3 SER 85 OK 11 100 - 11 - 9545/9876=2, 3837/4.9=2...(4) HG12 ILE 15 - HB3 SER 85 poor 10 97 - 10 - 10315=5, 10956/3.0=1 HD2 LYS 13 - HB3 SER 85 lone 9 100 - 9 - 10956/3.0=2, ~10956=1 HD3 LYS 13 - HB3 SER 85 lone 9 100 - 9 - 10956/3.0=2, ~10956=1 HB2 LEU 2 - HB3 SER 85 lone 7 100 - 7 - 10956/3.0=2 HB3 LYS 53 - HB3 SER 85 lone 7 77 - 9 - ~9202=3, 9203/3.0=2 HB3 LEU 70 - HB3 SER 85 lone 5 77 - 6 - 9544/9876=2 HD3 LYS 47 - HB3 SER 85 lone 5 61 - 7 - HB3 LYS 40 - HB3 SER 85 lone 2 70 - 3 - Peak 9876 from cnoeabs.peaks (0.68, 4.19, 64.38 ppm; 5.16 A): 3 out of 5 assignments used, quality = 0.84: QD1 LEU 14 + HB3 SER 85 OK 74 100 - 74 - 10413/4.0=19...(16) QG2 VAL 58 + HB3 SER 85 OK 22 100 - 23 - 9864/4.0=4, 9867/3.0=4...(7) QD2 LEU 6 + HB3 SER 85 OK 22 90 - 24 - 9867/3.0=6, 9864/4.0=5...(6) QD1 LEU 42 - HB3 SER 85 poor 10 84 - 11 - 9864/4.0=3, 9867/3.0=3...(4) QD1 ILE 52 - HB3 SER 85 poor 7 61 - 11 - 9864/4.0=3, 9867/3.0=3...(4) Peak 9877 from cnoeabs.peaks (1.53, 3.98, 50.67 ppm; 5.26 A): 2 out of 20 assignments used, quality = 1.00: HB2 LEU 14 + HD3 PRO 86 OK 94 99 - 94 - 3.1/12017=22...(28) HB2 LEU 14 + HD2 PRO 86 OK 93 99 - 94 - 3.1/12017=21...(28) HG LEU 2 - HD3 PRO 86 OK 35 90 - 39 - 12221/2.3=5, ~9882=5...(19) HG LEU 2 - HD2 PRO 86 OK 35 89 - 39 - 12221/2.3=5, ~9882=5...(19) HB ILE 7 - HD3 PRO 86 OK 30 99 - 31 - ~9858=4, ~9891=4...(11) HB ILE 7 - HD2 PRO 86 OK 30 99 - 31 - ~9858=4, ~9891=4...(11) HG3 LYS 24 - HD3 PRO 86 OK 18 65 - 28 - 3.7/3799=4, 9895/3.6=4...(12) HG3 LYS 24 - HD2 PRO 86 OK 18 65 - 28 - 3.7/3799=4, 9895/3.6=4...(12) HG LEU 6 - HD3 PRO 86 OK 16 100 - 16 - 8224/3.8=4, 9895/3.6=2...(6) HG LEU 6 - HD2 PRO 86 OK 16 100 - 16 - 8224/3.8=4, 9895/3.6=2...(6) HG12 ILE 56 - HD3 PRO 86 poor 10 99 - 10 - 620/12017=2, 628/12018=1...(4) HG12 ILE 56 - HD2 PRO 86 poor 10 99 - 10 - 620/12017=2, 628/12018=1...(4) HG3 ARG 30 - HD3 PRO 86 lone 5 99 - 5 - HG3 ARG 30 - HD2 PRO 86 lone 5 99 - 5 - HG2 ARG 79 - HD3 PRO 86 lone 4 96 - 5 - HG2 ARG 79 - HD2 PRO 86 lone 4 95 - 5 - HG3 ARG 79 - HD3 PRO 86 lone 4 94 - 4 - HG3 ARG 79 - HD2 PRO 86 lone 4 94 - 4 - HB3 LEU 103 - HD3 PRO 86 lone 4 100 - 4 - HB3 LEU 103 - HD2 PRO 86 lone 4 100 - 4 - Peak 9878 from cnoeabs.peaks (1.34, 3.98, 50.67 ppm; 5.34 A): 6 out of 20 assignments used, quality = 1.00: HG LEU 14 + HD3 PRO 86 OK 86 90 - 96 - 2.1/12017=24...(27) HG LEU 14 + HD2 PRO 86 OK 86 89 - 96 - 2.1/12017=24...(27) QB ALA 25 + HD3 PRO 86 OK 65 100 - 65 - 10130/1.8=15...(13) QB ALA 25 + HD2 PRO 86 OK 65 100 - 65 - 10130/1.8=15...(13) QB ALA 89 + HD3 PRO 86 OK 52 100 - 52 - 10971/3.6=24, ~9857=12...(7) QB ALA 89 + HD2 PRO 86 OK 52 100 - 52 - 10971/3.6=24, ~9857=12...(7) HB3 LEU 2 - HD3 PRO 86 OK 39 98 - 40 - ~8054=4, 9882/3.0=4...(20) HB3 LEU 2 - HD2 PRO 86 OK 39 98 - 40 - ~8054=4, 9882/3.0=4...(20) HG2 LYS 94 - HD3 PRO 86 OK 34 100 - 34 - 12252/3.0=6, ~12253=4...(11) HG2 LYS 94 - HD2 PRO 86 OK 34 100 - 34 - 12252/3.0=6, ~12253=4...(11) HB3 LEU 27 - HD3 PRO 86 OK 31 99 - 31 - 3.1/8643=5, ~8642=5...(9) HB3 LEU 27 - HD2 PRO 86 OK 31 99 - 31 - ~8642=5, 3.1/8643=5...(9) QB ALA 67 - HD3 PRO 86 OK 14 100 - 14 - ~9522=2, 9880/3.6=2...(4) QB ALA 67 - HD2 PRO 86 OK 14 100 - 14 - ~9522=2, 9880/3.6=2...(4) HG2 LYS 39 - HD3 PRO 86 OK 13 98 - 13 - 10570/12017=2...(4) HG2 LYS 39 - HD2 PRO 86 OK 13 98 - 13 - 10570/12017=2...(4) HB2 LYS 82 - HD3 PRO 86 OK 12 99 - 12 - 12220/3.0=2, 12220/3.0=2...(4) HB2 LYS 82 - HD2 PRO 86 OK 12 99 - 12 - 12220/3.0=2, 12220/3.0=2...(4) HG3 LYS 68 - HD3 PRO 86 lone 8 92 - 9 - 9862/4.8=2, 9880/3.6=1 HG3 LYS 68 - HD2 PRO 86 lone 8 91 - 9 - 9862/4.8=2, 9880/3.6=1 Peak 9879 from cnoeabs.peaks (0.66, 3.98, 50.67 ppm; 4.08 A): 4 out of 8 assignments used, quality = 0.94: QD1 LEU 14 + HD3 PRO 86 OK 67 77 - 87 - 12017=19, 12017/1.8=16...(27) QD1 LEU 14 + HD2 PRO 86 OK 67 77 - 87 - 12017=18, 12017/1.8=16...(27) QG2 VAL 58 + HD3 PRO 86 OK 23 84 - 28 - 9883/3.0=7, 9889/2.3=6...(8) QG2 VAL 58 + HD2 PRO 86 OK 23 83 - 28 - 9883/3.0=7, 9889/2.3=6...(8) QG2 VAL 54 - HD3 PRO 86 lone 3 96 - 3 - QG2 VAL 54 - HD2 PRO 86 lone 3 95 - 3 - QD1 LEU 29 - HD3 PRO 86 lone 2 94 - 2 - QD1 LEU 29 - HD2 PRO 86 lone 2 94 - 2 - Peak 9880 from cnoeabs.peaks (1.34, 4.09, 65.04 ppm; 3.33 A): 5 out of 10 assignments used, quality = 0.89: HG LEU 14 + HA PRO 86 OK 60 90 - 67 - 2.1/8411=19, 8407=16...(16) QB ALA 89 + HA PRO 86 OK 51 100 - 51 - 10971=23, 2.9/9854=12...(7) QB ALA 25 + HA PRO 86 OK 30 100 - 30 - 10130/3.6=6, 10130/3.6=6...(8) HG2 LYS 94 + HA PRO 86 OK 15 100 - 15 - 12252/2.3=3, 2.9/9894=2...(7) HB3 LEU 2 + HA PRO 86 OK 11 98 - 11 - 9882/2.3=2, 3.0/9895=1...(4) QB ALA 67 - HA PRO 86 lone 9 100 - 9 - 2.9/7085=2, 3.6/7102=1 HG2 LYS 39 - HA PRO 86 lone 6 98 - 6 - 10570/8411=2 HB2 LYS 82 - HA PRO 86 lone 6 99 - 6 - HG3 LYS 68 - HA PRO 86 lone 6 92 - 6 - 4.6/7102=1 HB3 LEU 27 - HA PRO 86 lone 4 99 - 4 - Peak 9881 from cnoeabs.peaks (0.68, 4.09, 65.04 ppm; 3.62 A): 4 out of 5 assignments used, quality = 0.89: QD1 LEU 14 + HA PRO 86 OK 83 99 - 84 - 8411=31, 2.1/8407=19...(18) QG2 VAL 58 + HA PRO 86 OK 21 98 - 22 - 10219/2.3=6, 10220/3.8=3...(8) QD2 LEU 6 + HA PRO 86 OK 11 99 - 11 - 9867/4.8=3, 9900/3.5=1 QD1 LEU 42 + HA PRO 86 OK 11 97 - 11 - 9900/3.5=2, 9867/4.8=1 QD1 ILE 52 - HA PRO 86 lone 5 84 - 6 - 9900/3.5=1, 9867/4.8=1 Peak 9882 from cnoeabs.peaks (1.32, 2.12, 31.71 ppm; 4.67 A): 5 out of 6 assignments used, quality = 0.73: QB ALA 89 + HB2 PRO 86 OK 30 65 - 46 - ~9854=15, 10971/2.3=12...(6) QB ALA 25 + HB2 PRO 86 OK 29 65 - 45 - ~10131=7, 10130/3.0=6...(13) HB3 LEU 2 + HB2 PRO 86 OK 26 87 - 31 - ~8054=3, 1.8/3818=3...(15) HG2 LYS 94 + HB2 PRO 86 OK 17 65 - 27 - ~12253=4, ~12250=4...(11) QB ALA 67 + HB2 PRO 86 OK 10 73 - 14 - ~7085=3, 2.9/9522=3...(4) HB3 LEU 42 - HB2 PRO 86 lone 5 65 - 7 - ~9881=2, 3.1/9883=1 Peak 9883 from cnoeabs.peaks (0.67, 2.12, 31.71 ppm; 4.64 A): 2 out of 6 assignments used, quality = 0.93: QD1 LEU 14 + HB2 PRO 86 OK 89 94 - 94 - 8411/2.3=26...(26) QG2 VAL 58 + HB2 PRO 86 OK 43 97 - 44 - 10219=9, 9889/2.3=8...(12) QD2 LEU 6 - HB2 PRO 86 poor 8 65 - 12 - 9881/2.3=3, ~9895=2...(4) QD1 LEU 42 - HB2 PRO 86 poor 7 57 - 12 - 9881/2.3=3, 9900/3.9=2...(4) QG2 VAL 54 - HB2 PRO 86 lone 3 81 - 4 - QD1 LEU 29 - HB2 PRO 86 lone 3 77 - 4 - Peak 9884 from cnoeabs.peaks (3.68, 3.98, 50.67 ppm; 4.69 A): 4 out of 8 assignments used, quality = 0.99: HA LEU 14 + HD2 PRO 86 OK 78 99 - 78 - 8422/3.6=22...(20) HA LEU 14 + HD3 PRO 86 OK 78 99 - 78 - 8422/3.6=22...(20) HA LYS 90 + HD2 PRO 86 OK 50 94 - 54 - 9886/3.0=13, 9887/2.3=11...(14) HA LYS 90 + HD3 PRO 86 OK 50 94 - 54 - 9886/3.0=13, 9887/2.3=11...(14) HB THR 80 - HD3 PRO 86 OK 27 100 - 27 - 9886/3.0=5, 9887/2.3=4...(8) HB THR 80 - HD2 PRO 86 OK 27 100 - 27 - 9886/3.0=5, 9887/2.3=4...(8) HA GLU 88 - HD2 PRO 86 OK 21 61 - 35 - 9886/3.0=6, 9885/3.6=6...(11) HA GLU 88 - HD3 PRO 86 OK 21 61 - 35 - 9886/3.0=6, 9885/3.6=6...(11) Peak 9885 from cnoeabs.peaks (3.67, 4.09, 65.04 ppm; 4.12 A): 4 out of 4 assignments used, quality = 0.91: HA LYS 90 + HA PRO 86 OK 60 100 - 60 - 3.0/9852=18, 9886/2.3=12...(17) HA LEU 14 + HA PRO 86 OK 53 73 - 73 - 4.0/8411=18, 8422=15...(14) HA GLU 88 + HA PRO 86 OK 42 97 - 44 - 3.6/9854=17, 9886/2.3=6...(14) HB THR 80 + HA PRO 86 OK 20 84 - 23 - 9886/2.3=4, 9887/3.8=2...(10) Peak 9886 from cnoeabs.peaks (3.67, 2.12, 31.71 ppm; 4.13 A): 4 out of 4 assignments used, quality = 0.95: HA LYS 90 + HB2 PRO 86 OK 71 100 - 71 - ~9852=12, 9885/2.3=11...(21) HA LEU 14 + HB2 PRO 86 OK 64 92 - 70 - 8422/2.3=20, 4.0/9883=12...(21) HA GLU 88 + HB2 PRO 86 OK 33 84 - 39 - 9885/2.3=8, 9904/4.9=6...(15) HB THR 80 + HB2 PRO 86 OK 25 97 - 26 - 9885/2.3=4, 9887/2.3=3...(9) Peak 9887 from cnoeabs.peaks (3.67, 1.69, 27.30 ppm; 4.71 A): 5 out of 8 assignments used, quality = 0.94: HA LYS 90 + HG2 PRO 86 OK 63 100 - 64 - 9886/2.3=15, 9885/3.8=10...(21) HA LEU 14 + HG2 PRO 86 OK 62 92 - 68 - 8422/3.8=18, 9886/2.3=14...(16) HA GLU 88 + HG2 PRO 86 OK 31 84 - 37 - 9885/3.8=7, 9886/2.3=7...(13) HB THR 80 + HG2 PRO 86 OK 25 97 - 26 - 9886/2.3=5, 9890/1.8=4...(6) HA LEU 14 + HG LEU 70 OK 14 50 - 28 - ~8430=4, 3.6/6219=3...(10) HA LYS 90 - HG LEU 70 poor 7 60 - 11 - HB THR 80 - HG LEU 70 lone 3 55 - 5 - HA GLU 88 - HG LEU 70 lone 2 44 - 5 - Peak 9888 from cnoeabs.peaks (1.47, 2.19, 27.30 ppm; 4.96 A): 8 out of 30 assignments used, quality = 0.81: HG LEU 64 + HG3 PRO 86 OK 32 94 - 34 - 2828/2.3=4, 2828/2.3=4...(11) HB2 ARG 91 + HG3 PRO 86 OK 25 77 - 33 - 4.3/3846=7, ~9962=4...(15) HB3 LEU 64 + HG3 PRO 86 OK 20 61 - 33 - 3.9/7031=5, 10957/2.3=4...(13) HG3 ARG 91 + HG3 PRO 86 OK 16 61 - 26 - ~9962=5, ~10957=3...(12) HG3 LYS 53 + HG3 PRO 86 OK 16 100 - 16 - ~10958=4, 10957/2.3=1 HG2 LYS 53 + HG3 PRO 86 OK 15 96 - 15 - ~10958=4, ~10957=1 HD2 LYS 53 + HG3 PRO 86 OK 12 87 - 14 - ~10958=5, ~2451=1 HB2 LEU 27 + HG3 PRO 86 OK 12 81 - 14 - ~8642=4, ~8643=3...(4) HD3 LYS 40 - HG3 PRO 86 lone 8 98 - 8 - HD2 LYS 40 - HG3 PRO 86 lone 8 97 - 8 - HD2 LYS 82 - HG3 PRO 86 lone 6 87 - 7 - ~10958=3, 9379/9889=1 HG13 ILE 52 - HG3 PRO 86 lone 5 81 - 6 - 3.8/9160=2 HB2 LEU 38 - HB3 GLU 75 lone 4 49 - 9 - 1633/4.0=3, 4.6/8954=2 HG LEU 38 - HB3 GLU 75 lone 4 60 - 7 - 1649/4.0=2 HG2 LYS 20 - HG3 PRO 86 lone 4 81 - 5 - HG LEU 38 - HG3 PRO 86 lone 4 87 - 4 - HB2 LEU 38 - HG3 PRO 86 lone 3 73 - 5 - HG LEU 64 - HB3 GLU 75 lone 2 67 - 3 - HB2 ARG 91 - HB3 GLU 75 lone 2 52 - 4 - HG13 ILE 52 - HB3 GLU 75 lone 2 55 - 3 - HD3 LYS 40 - HB3 GLU 75 lone 1 73 - 2 - HD2 LYS 40 - HB3 GLU 75 lone 1 71 - 2 - HG3 LYS 53 - HB3 GLU 75 lone 1 76 - 2 - HB3 LEU 64 - HB3 GLU 75 lone 1 40 - 3 - HG2 LYS 53 - HB3 GLU 75 lone 1 69 - 2 - HD2 LYS 82 - HB3 GLU 75 lone 1 60 - 2 - HD2 LYS 53 - HB3 GLU 75 lone 1 60 - 2 - HG3 ARG 91 - HB3 GLU 75 lone 1 40 - 3 - HG2 LYS 20 - HB3 GLU 75 lone 1 55 - 2 - HB2 LEU 27 - HB3 GLU 75 lone 1 55 - 2 - Peak 9889 from cnoeabs.peaks (0.67, 2.19, 27.30 ppm; 5.08 A): 3 out of 12 assignments used, quality = 0.94: QD1 LEU 14 + HG3 PRO 86 OK 85 94 - 91 - 9883/2.3=24...(22) QG2 VAL 58 + HG3 PRO 86 OK 46 97 - 48 - 9883/2.3=11, 2.1/10700=6...(11) QD1 LEU 14 + HB3 GLU 75 OK 21 67 - 30 - 618/4.1=10, 625/4.0=4...(9) QG2 VAL 58 - HB3 GLU 75 poor 9 71 - 12 - 10219/1.8=1, 2.1/10700=1...(4) QD2 LEU 6 - HG3 PRO 86 poor 8 65 - 12 - 9881/3.8=2, 9883/2.3=2...(4) QD1 LEU 42 - HG3 PRO 86 poor 7 57 - 12 - 9881/3.8=2, 9883/2.3=2 QG2 VAL 54 - HG3 PRO 86 lone 5 81 - 6 - QD1 LEU 29 - HG3 PRO 86 lone 3 77 - 4 - QD1 LEU 42 - HB3 GLU 75 lone 2 37 - 4 - QD2 LEU 6 - HB3 GLU 75 lone 1 43 - 3 - QG2 VAL 54 - HB3 GLU 75 lone 1 55 - 2 - QD1 LEU 29 - HB3 GLU 75 lone 1 52 - 2 - Peak 9890 from cnoeabs.peaks (3.67, 2.19, 27.30 ppm; 5.10 A): 4 out of 8 assignments used, quality = 0.94: HA LEU 14 + HG3 PRO 86 OK 67 92 - 73 - 8422/3.8=21, 9886/2.3=15...(16) HA LYS 90 + HG3 PRO 86 OK 64 100 - 64 - 9886/2.3=17, 9887/1.8=13...(15) HA GLU 88 + HG3 PRO 86 OK 33 84 - 39 - 9885/3.8=8, 9886/2.3=8...(13) HB THR 80 + HG3 PRO 86 OK 29 97 - 30 - 9886/2.3=6, 9887/1.8=5...(8) HA LEU 14 - HB3 GLU 75 OK 24 65 - 37 - 583/4.1=8, ~3387=5...(11) HA GLU 88 - HB3 GLU 75 OK 12 58 - 20 - ~3387=3, 3862/4.1=3...(9) HA LYS 90 - HB3 GLU 75 lone 6 76 - 8 - HB THR 80 - HB3 GLU 75 lone 4 71 - 5 - Peak 9891 from cnoeabs.peaks (5.12, 2.19, 27.30 ppm; 5.01 A): 4 out of 8 assignments used, quality = 0.72: HA SER 85 + HG3 PRO 86 OK 44 70 - 63 - 3790/2.3=12, 3790/2.3=12...(12) HA LEU 3 + HG3 PRO 86 OK 32 94 - 34 - ~10958=10, 9855/3.8=6...(10) HA ILE 7 + HG3 PRO 86 OK 19 87 - 22 - 9855/3.8=5, 9858/2.3=5...(8) HA SER 85 + HB3 GLU 75 OK 10 46 - 23 - 4.8/3811=4, 3.0/9873=3...(8) HA ILE 7 - HB3 GLU 75 lone 3 60 - 5 - 3.0/12221=1 HA LEU 3 - HB3 GLU 75 lone 3 67 - 4 - HA VAL 5 - HG3 PRO 86 lone 2 84 - 2 - HA VAL 5 - HB3 GLU 75 lone 1 58 - 1 - Peak 9892 from cnoeabs.peaks (1.91, 3.98, 50.67 ppm; 4.93 A): 2 out of 24 assignments used, quality = 0.98: HB3 LEU 14 + HD3 PRO 86 OK 86 94 - 92 - 3.1/12017=20...(28) HB3 LEU 14 + HD2 PRO 86 OK 86 94 - 92 - 3.1/12017=20...(28) HB2 LYS 94 - HD3 PRO 86 OK 24 90 - 27 - 3.0/4183=3, ~9882=3...(11) HB2 LYS 94 - HD2 PRO 86 OK 24 89 - 27 - 3.0/4183=3, ~9882=3...(11) HB3 LYS 13 - HD3 PRO 86 OK 21 100 - 21 - 3.0/10833=3, ~10833=3...(6) HB3 LYS 13 - HD2 PRO 86 OK 21 100 - 21 - 3.0/10833=3, ~10833=2...(6) HB2 LYS 13 - HD3 PRO 86 OK 21 99 - 21 - 3.0/10833=3, ~10833=3...(6) HB2 LYS 13 - HD2 PRO 86 OK 21 99 - 21 - 3.0/10833=3, 9866/3.8=2...(6) HB2 GLU 43 - HD3 PRO 86 OK 10 99 - 10 - 1966/2.3=1 HB2 GLU 43 - HD2 PRO 86 OK 10 99 - 10 - 1966/2.3=1 HB3 LYS 47 - HD3 PRO 86 lone 8 84 - 9 - 9866/3.8=2, 9894/3.6=1 HB3 LYS 47 - HD2 PRO 86 lone 8 83 - 9 - 9866/3.8=2, 9894/3.6=1 HB ILE 8 - HD3 PRO 86 lone 7 73 - 10 - 8299/3.8=2, 621/12017=1...(4) HB ILE 8 - HD2 PRO 86 lone 7 73 - 10 - 8299/3.8=2, 621/12017=1...(4) HB3 LYS 33 - HD3 PRO 86 lone 6 99 - 6 - ~10958=2 HB3 LYS 33 - HD2 PRO 86 lone 6 99 - 6 - ~10958=2 HB2 LYS 33 - HD3 PRO 86 lone 6 98 - 6 - ~10958=2 HB2 LYS 33 - HD2 PRO 86 lone 6 98 - 6 - ~10958=2 HG LEU 42 - HD3 PRO 86 lone 6 77 - 7 - ~9883=1 HG LEU 42 - HD2 PRO 86 lone 6 77 - 7 - ~9883=1 HB3 ARG 19 - HD3 PRO 86 lone 2 65 - 3 - HB3 ARG 19 - HD2 PRO 86 lone 2 65 - 3 - HB2 ARG 19 - HD3 PRO 86 lone 2 61 - 2 - HB2 ARG 19 - HD2 PRO 86 lone 2 61 - 2 - Peak 9893 from cnoeabs.peaks (2.49, 3.98, 50.67 ppm; 5.66 A): 6 out of 16 assignments used, quality = 0.97: HD2 ARG 91 + HD3 PRO 86 OK 45 99 - 45 - 9962/3.0=9, 9962/3.0=8...(18) HD2 ARG 91 + HD2 PRO 86 OK 44 99 - 45 - 9962/3.0=9, 9962/3.0=8...(18) HB3 ASP 87 + HD3 PRO 86 OK 44 97 - 45 - 4.0/7382=20, ~10967=11...(8) HB2 ASP 87 + HD3 PRO 86 OK 44 97 - 45 - 4.0/7382=20, ~10967=11...(8) HB2 ASP 87 + HD2 PRO 86 OK 44 97 - 45 - 4.0/7382=20, ~10967=11...(8) HB3 ASP 87 + HD2 PRO 86 OK 44 97 - 45 - 4.0/7382=20, ~10967=11...(8) HG3 GLU 23 - HD3 PRO 86 OK 20 100 - 20 - 9872/4.9=5, 9868/4.9=5 HG3 GLU 23 - HD2 PRO 86 OK 20 100 - 20 - 9872/4.9=5, 9868/4.9=5 HG3 GLU 98 - HD3 PRO 86 poor 8 70 - 11 - 9872/4.9=4, 5.2/7589=2 HG3 GLU 98 - HD2 PRO 86 poor 8 69 - 11 - 9872/4.9=4, 5.2/7589=2 HB2 ASP 36 - HD3 PRO 86 lone 6 77 - 8 - ~10535=2, ~10534=1 HB2 ASP 36 - HD2 PRO 86 lone 6 77 - 8 - ~10535=2, ~10534=1 HB3 ASP 36 - HD3 PRO 86 lone 6 73 - 8 - ~10535=2, ~10534=1 HB3 ASP 36 - HD2 PRO 86 lone 6 73 - 8 - ~10535=2, ~10534=1 HB2 ASP 61 - HD3 PRO 86 lone 3 61 - 5 - ~9450=1, ~9449=1 HB2 ASP 61 - HD2 PRO 86 lone 3 61 - 5 - ~9450=1, ~9449=1 Peak 9894 from cnoeabs.peaks (1.93, 4.09, 65.04 ppm; 4.81 A): 9 out of 12 assignments used, quality = 0.79: HB2 LYS 94 + HA PRO 86 OK 24 97 - 24 - 2.9/9880=4, ~9882=3...(7) HB2 MET 1 + HA PRO 86 OK 19 87 - 22 - ~12333=8, 3.0/3811=4...(6) HG3 GLU 88 + HA PRO 86 OK 18 81 - 23 - 4.2/9885=7, 4.9/9853=5...(6) HB2 LYS 13 + HA PRO 86 OK 16 84 - 19 - 4.6/9853=8, 9866/4.8=2...(5) HB3 LYS 47 + HA PRO 86 OK 15 99 - 15 - 4.9/12306=3, 4.9/12306=3...(5) HB3 LYS 13 + HA PRO 86 OK 15 77 - 19 - 4.6/9853=8, 9866/4.8=2...(5) HB VAL 32 + HA PRO 86 OK 14 90 - 15 - 10158/2.3=3, ~10156=2...(6) HB3 LYS 20 + HA PRO 86 OK 12 99 - 12 - 9866/4.8=6 HB2 GLU 17 + HA PRO 86 OK 11 87 - 12 - ~12333=4, 592/8422=3, 9902/3.5=1 HB2 LYS 33 - HA PRO 86 lone 5 87 - 6 - ~10958=2, 2.8/9895=1 HB3 LYS 33 - HA PRO 86 lone 5 81 - 6 - ~10958=2, 2.8/9895=1 HB3 ARG 19 - HA PRO 86 lone 5 100 - 5 - Peak 9895 from cnoeabs.peaks (1.52, 4.09, 65.04 ppm; 5.44 A): 3 out of 12 assignments used, quality = 0.96: HB2 LEU 14 + HA PRO 86 OK 91 100 - 91 - 3.1/8411=30, 3.0/8407=28...(15) HB ILE 7 + HA PRO 86 OK 32 100 - 32 - 3.0/9855=7, ~9858=5...(11) HG3 LYS 24 + HA PRO 86 OK 31 90 - 35 - 5.1/9853=5, 1096=4...(14) HG LEU 2 - HA PRO 86 OK 30 99 - 30 - ~9882=6, 12221/3.8=4...(11) HG LEU 6 - HA PRO 86 OK 21 98 - 21 - 2.1/9881=4, 8224/4.8=4...(10) HG12 ILE 56 - HA PRO 86 OK 12 87 - 14 - 620/8411=2, 612/8407=2...(4) HG3 LYS 33 - HA PRO 86 poor 9 77 - 11 - ~10958=4, 2.8/9894=1, 2.8/9894=1 HG LEU 57 - HA PRO 86 lone 6 65 - 9 - ~10215=2, ~9362=2, 10687/4.8=1 HG3 ARG 30 - HA PRO 86 lone 5 90 - 6 - HB3 LEU 103 - HA PRO 86 lone 4 99 - 4 - HG2 ARG 79 - HA PRO 86 lone 4 77 - 5 - HG3 ARG 79 - HA PRO 86 lone 3 73 - 5 - Peak 9896 from cnoeabs.peaks (7.46, 4.22, 57.31 ppm; 4.52 A): 3 out of 6 assignments used, quality = 0.88: H ARG 91 + HA ASP 87 OK 84 94 - 89 - 9963=37, 4.6/9951=24...(21) HE ARG 46 + HA ASP 87 OK 15 94 - 16 - 7425/9951=2, 3945/9953=2...(7) H LYS 47 + HA ASP 87 OK 14 90 - 16 - 7425/9951=2, 6765/9953=2...(7) HE ARG 19 - HA ASP 87 lone 6 94 - 7 - 3.6/9910=2 HD22 ASN 26 - HA ASP 87 lone 6 97 - 6 - HE22 GLN 72 - HA ASP 87 lone 2 57 - 4 - Peak 9904 from cnoeabs.peaks (3.67, 4.22, 57.31 ppm; 4.76 A): 2 out of 4 assignments used, quality = 0.99: HA LYS 90 + HA ASP 87 OK 96 100 - 96 - 3.0/9951=37, 3.0/9953=31...(23) HA GLU 88 + HA ASP 87 OK 76 97 - 78 - 3.6/9924=27, ~7386=11...(26) HA LEU 14 - HA ASP 87 OK 22 73 - 30 - 9886/4.9=8, 9903/2.9=8...(7) HB THR 80 - HA ASP 87 OK 16 84 - 18 - 9886/4.9=3, 9903/2.9=3...(7) Peak 9905 from cnoeabs.peaks (3.69, 2.50, 40.10 ppm; 4.66 A): 6 out of 16 assignments used, quality = 0.66: HA GLU 37 + HB2 ASP 36 OK 24 38 - 64 - 3.0/6569=17, ~6569=13...(11) HA GLU 37 + HB3 ASP 36 OK 21 33 - 64 - 3.0/6569=17, ~6569=13...(11) HA LEU 14 + HB3 ASP 87 OK 17 96 - 17 - 9903/4.0=10, 583/4.6=2...(4) HA LEU 14 + HB2 ASP 87 OK 17 96 - 17 - 9903/4.0=10, 583/4.6=2...(4) HA GLU 37 + HB3 ASP 87 OK 10 65 - 15 - 3.0/10965=3, ~10965=2...(7) HA GLU 37 + HB2 ASP 87 OK 10 65 - 15 - 3.0/10965=3, ~10965=2...(7) HA LEU 42 - HB2 ASP 36 poor 9 49 - 18 - 6571/4.0=5, 1905/3.6=5...(4) HA LEU 42 - HB3 ASP 36 poor 7 43 - 17 - 6571/4.0=5, 1905/3.6=5...(4) HA LEU 42 - HB3 ASP 87 lone 6 81 - 7 - ~9911=2, ~9908=2 HA LEU 42 - HB2 ASP 87 lone 6 81 - 7 - ~9911=2, ~9908=2 HB THR 80 - HB2 ASP 87 lone 5 90 - 6 - 9903/4.0=3 HB THR 80 - HB3 ASP 87 lone 5 90 - 6 - 9903/4.0=3 HB THR 80 - HB2 ASP 36 lone 3 56 - 5 - 9703/3.6=3 HB THR 80 - HB3 ASP 36 lone 3 50 - 5 - 9703/3.6=3 HA LEU 14 - HB2 ASP 36 lone 2 62 - 3 - HA LEU 14 - HB3 ASP 36 lone 2 55 - 3 - Peak 9906 from cnoeabs.peaks (2.92, 4.22, 57.31 ppm; 4.41 A): 2 out of 9 assignments used, quality = 0.77: HE3 LYS 90 + HA ASP 87 OK 72 87 - 83 - 1.8/9907=39, 3.8/9952=19...(10) HG2 MET 21 + HA ASP 87 OK 16 73 - 22 - 3.4/10967=4, 7424/9951=3...(10) HE2 LYS 94 - HA ASP 87 lone 8 99 - 8 - 3.0/9910=2, 12259/4.9=1 HE3 LYS 20 - HA ASP 87 lone 5 90 - 5 - 3.0/10313=2, 3.0/10313=1 HE2 LYS 20 - HA ASP 87 lone 5 87 - 5 - 3.0/10313=2, 3.0/10313=1 HE3 LYS 94 - HA ASP 87 lone 4 84 - 5 - 3.0/9910=2 HE2 LYS 68 - HA ASP 87 lone 4 81 - 5 - 5.0/9953=3 HE3 LYS 68 - HA ASP 87 lone 4 73 - 5 - 5.0/9953=3 HB2 ASN 10 - HA ASP 87 lone 3 99 - 3 - Peak 9907 from cnoeabs.peaks (2.81, 4.22, 57.31 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.89: HE2 LYS 90 + HA ASP 87 OK 89 100 - 90 - 10314=43, 1.8/9906=23...(12) Peak 9908 from cnoeabs.peaks (1.81, 4.22, 57.31 ppm; 3.47 A): 5 out of 8 assignments used, quality = 0.91: HB2 LYS 90 + HA ASP 87 OK 78 100 - 79 - 1.8/9953=21, 4.1/9951=16...(18) HB2 GLU 88 + HA ASP 87 OK 38 99 - 38 - 4.3/9924=12, 7393/3.6=6...(11) HB2 LEU 42 + HA ASP 87 OK 15 97 - 15 - 1.8/9911=3, 9901/2.9=1...(5) HB ILE 93 + HA ASP 87 OK 12 90 - 14 - 7393/3.6=2, 9901/2.9=2...(5) HB2 GLU 104 + HA ASP 87 OK 10 99 - 10 - 3872/3.6=3, 9901/2.9=1 HG2 ARG 46 - HA ASP 87 lone 8 90 - 9 - 3.6/9896=2, 2094/9963=1 HB3 LEU 57 - HA ASP 87 lone 6 92 - 6 - HB2 LYS 39 - HA ASP 87 lone 3 73 - 4 - Peak 9909 from cnoeabs.peaks (1.71, 4.22, 57.31 ppm; 3.94 A): 1 out of 16 assignments used, quality = 0.58: HD3 LYS 90 + HA ASP 87 OK 58 73 - 79 - 3.0/9907=26, 3.6/9953=19...(12) HD3 LYS 24 - HA ASP 87 poor 10 73 - 13 - 3.0/9910=4, 6.3/7389=3...(4) HD2 LYS 24 - HA ASP 87 poor 9 70 - 13 - 3.0/9910=4, 6.3/7389=3...(4) HB3 LEU 70 - HA ASP 87 lone 6 100 - 6 - 10275/4.9=2, 10275/4.9=2 HD3 LYS 12 - HA ASP 87 lone 6 87 - 6 - 3.0/9910=2 HD2 LYS 12 - HA ASP 87 lone 6 87 - 6 - 3.0/9910=2 HD3 LYS 66 - HA ASP 87 lone 5 90 - 5 - 1.8/9910=1 HG12 ILE 15 - HA ASP 87 lone 5 61 - 7 - 3987/9907=1 HB2 LEU 2 - HA ASP 87 lone 3 90 - 3 - HD3 LYS 13 - HA ASP 87 lone 3 92 - 3 - HD2 LYS 13 - HA ASP 87 lone 2 87 - 3 - HB ILE 15 - HA ASP 87 lone 2 70 - 4 - HG LEU 70 - HA ASP 87 lone 2 81 - 3 - HD2 ARG 81 - HA ASP 87 lone 1 84 - 1 - HD2 LYS 33 - HA ASP 87 lone 1 87 - 1 - HD3 LYS 33 - HA ASP 87 lone 1 87 - 1 - Peak 9910 from cnoeabs.peaks (1.58, 4.22, 57.31 ppm; 4.36 A): 5 out of 14 assignments used, quality = 0.95: HG3 LYS 90 + HA ASP 87 OK 89 100 - 89 - 2.8/9953=28, 3.8/9907=27...(15) HG2 LYS 24 + HA ASP 87 OK 29 100 - 29 - 5.1/7389=6, 1084/3.6=5...(12) HD3 LYS 94 + HA ASP 87 OK 14 84 - 17 - 3.0/9906=2, ~12255=2...(7) HG2 ARG 19 + HA ASP 87 OK 13 100 - 12 - 12291/3.0=3, 12291/3.0=3 HG3 LYS 12 + HA ASP 87 OK 12 94 - 12 - 3.0/9909=2, 3.0/9909=2 HD2 LYS 66 - HA ASP 87 poor 8 73 - 11 - 12288/4.9=3, 12288/4.9=2 HB2 ARG 30 - HA ASP 87 lone 6 65 - 9 - 2.9/9911=3 HB2 LEU 103 - HA ASP 87 lone 5 100 - 5 - HG LEU 103 - HA ASP 87 lone 5 100 - 5 - HB3 LEU 29 - HA ASP 87 lone 4 90 - 5 - HG3 LYS 73 - HA ASP 87 lone 4 84 - 5 - HG LEU 27 - HA ASP 87 lone 3 84 - 4 - HB2 ARG 79 - HA ASP 87 lone 1 77 - 2 - HD3 LYS 82 - HA ASP 87 lone 1 61 - 2 - Peak 9911 from cnoeabs.peaks (1.29, 4.22, 57.31 ppm; 4.50 A): 1 out of 4 assignments used, quality = 0.92: HG2 LYS 90 + HA ASP 87 OK 92 99 - 93 - 2.8/9953=29, 3.8/9907=28...(16) HB3 LEU 42 - HA ASP 87 OK 19 87 - 22 - 1.8/9908=4, 7419/9951=3...(10) HG2 ARG 30 - HA ASP 87 OK 16 100 - 16 - 7419/9951=2, 3994/9907=2...(8) HG LEU 3 - HA ASP 87 OK 11 96 - 12 - 3994/9907=2, 7419/9951=2...(6) Peak 9913 from cnoeabs.peaks (0.99, 1.81, 30.05 ppm; 3.95 A): 4 out of 4 assignments used, quality = 0.82: QG2 THR 80 + HB2 GLU 88 OK 56 92 - 61 - 9914/3.0=20, 9915/3.0=19...(7) QG1 VAL 83 + HB2 GLU 88 OK 44 57 - 78 - 9917/1.8=19, 9927/4.3=17...(18) QG2 THR 80 + HB2 GLU 104 OK 18 78 - 23 - 9705/4.0=9, 9731/1.8=3...(5) QG1 VAL 83 + HB2 GLU 104 OK 11 46 - 24 - 2.1/9816=4, 2.1/9822=3...(8) Peak 9914 from cnoeabs.peaks (0.98, 1.94, 36.78 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.68: QG2 THR 80 + HG3 GLU 88 OK 68 99 - 68 - 9915/1.8=38, 9913/3.0=17...(10) Peak 9915 from cnoeabs.peaks (0.98, 2.14, 36.78 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.73: QG2 THR 80 + HG2 GLU 88 OK 73 99 - 73 - 9914/1.8=42, 9913/3.0=18...(10) Peak 9916 from cnoeabs.peaks (1.32, 2.08, 30.05 ppm; 4.94 A): 2 out of 6 assignments used, quality = 0.78: QB ALA 89 + HB3 GLU 88 OK 66 77 - 86 - 2.9/7403=25...(20) QB ALA 25 + HB3 GLU 88 OK 36 77 - 47 - 2.9/10299=18, 8607/3.9=7...(10) HB3 LEU 2 - HB3 GLU 88 lone 8 94 - 8 - 14634/12225=2, 7407/4.3=1 HG2 LYS 94 - HB3 GLU 88 lone 6 77 - 8 - 7407/4.3=2, 8592/3.9=1 QB ALA 67 - HB3 GLU 88 lone 6 84 - 7 - HB2 LYS 82 - HB3 GLU 88 lone 4 61 - 6 - 9810/9917=1, 7407/4.3=1 Peak 9917 from cnoeabs.peaks (1.00, 2.08, 30.05 ppm; 4.19 A): 2 out of 2 assignments used, quality = 0.79: QG1 VAL 83 + HB3 GLU 88 OK 62 81 - 77 - 9927/4.3=19...(18) QG2 THR 80 + HB3 GLU 88 OK 44 73 - 60 - 9914/3.0=18, 9913/1.8=17...(7) Peak 9918 from cnoeabs.peaks (0.98, 3.66, 58.73 ppm; 5.49 A): 2 out of 3 assignments used, quality = 0.92: QG2 THR 80 + HA GLU 88 OK 77 100 - 77 - 9914/4.2=31, 9915/4.2=30...(10) QG2 VAL 83 + HA GLU 88 OK 64 77 - 82 - ~9917=19, 2.1/10943=17...(18) HG LEU 55 - HA GLU 88 lone 7 81 - 9 - ~10666=2, ~9267=2 Peak 9920 from cnoeabs.peaks (9.19, 1.81, 30.05 ppm; 4.98 A): 4 out of 6 assignments used, quality = 0.83: H THR 84 + HB2 GLU 88 OK 61 84 - 73 - 9921/3.0=18...(11) H ILE 56 + HB2 GLU 88 OK 27 100 - 27 - 9921/3.0=8, 9919/3.9=4...(9) H GLU 35 + HB2 GLU 88 OK 27 84 - 32 - 9921/3.0=5, ~10306=4...(13) H THR 84 + HB2 GLU 104 OK 18 70 - 26 - 9831=5, 4.0/9816=4...(8) H ILE 56 - HB2 GLU 104 lone 7 90 - 7 - 10914/9913=1 H GLU 35 - HB2 GLU 104 lone 5 70 - 7 - 4.6/8779=2 Peak 9921 from cnoeabs.peaks (9.19, 2.14, 36.78 ppm; 5.16 A): 3 out of 3 assignments used, quality = 0.74: H THR 84 + HG2 GLU 88 OK 59 97 - 61 - 3.6/12337=20...(9) H ILE 56 + HG2 GLU 88 OK 25 99 - 25 - 10914/9915=8, 9920/3.0=6...(5) H GLU 35 + HG2 GLU 88 OK 16 61 - 27 - 9920/3.0=6, 3.0/10305=5...(7) Peak 9922 from cnoeabs.peaks (6.86, 1.94, 36.78 ppm; 6.19 A): 4 out of 5 assignments used, quality = 0.88: HD1 TRP 92 + HG3 GLU 88 OK 78 92 - 85 - 2.6/9973=33, ~12227=26...(12) HE21 GLN 72 + HG3 GLU 88 OK 24 96 - 25 - 1.7/3899=5, ~3892=5...(6) HD21 ASN 60 + HG3 GLU 88 OK 18 87 - 21 - 12225/3.0=6, 12224/3.0=5...(6) HE1 TYR 41 + HG3 GLU 88 OK 11 99 - 11 - 14622/3.0=3, 12224/3.0=2 HE2 TYR 41 - HG3 GLU 88 poor 10 97 - 10 - 14622/3.0=2, 12224/3.0=1 Peak 9928 from cnoeabs.peaks (1.00, 3.90, 55.61 ppm; 3.28 A): 1 out of 1 assignment used, quality = 0.72: QG1 VAL 83 + HA ALA 89 OK 72 96 - 75 - 9824=22, 9927/3.0=16...(18) Peak 9929 from cnoeabs.peaks (0.80, 3.90, 55.61 ppm; 3.35 A): 3 out of 8 assignments used, quality = 0.60: QD2 LEU 57 + HA ALA 89 OK 48 100 - 48 - 10697=17, 2.1/10698=9...(12) QD1 ILE 76 + HA ALA 89 OK 12 100 - 12 - 9630/3.6=3, 10286/2.1=2 QD2 LEU 2 + HA ALA 89 OK 11 92 - 12 - 79/2.1=2, 9926/3.0=2...(6) QG2 ILE 7 - HA ALA 89 lone 6 100 - 6 - 9808/9928=1 QG2 ILE 15 - HA ALA 89 lone 5 90 - 6 - ~9932=1 QD2 LEU 70 - HA ALA 89 lone 5 94 - 5 - QG2 ILE 8 - HA ALA 89 lone 3 87 - 4 - QD1 LEU 70 - HA ALA 89 lone 3 70 - 4 - Peak 9930 from cnoeabs.peaks (0.69, 3.90, 55.61 ppm; 4.29 A): 7 out of 8 assignments used, quality = 0.86: QD1 LEU 14 + HA ALA 89 OK 49 84 - 59 - 8402/3.0=13, 2.1/10408=9...(19) QD2 LEU 14 + HA ALA 89 OK 35 65 - 53 - ~8402=12, 9925/3.0=10...(15) QD1 LEU 42 + HA ALA 89 OK 21 100 - 21 - 9943/3.6=5, 9925/3.0=4...(5) QD1 ILE 52 + HA ALA 89 OK 16 99 - 16 - 9151/3.6=6, 9925/3.0=3 QG2 VAL 58 + HA ALA 89 OK 14 77 - 19 - 2.1/9389=3, 9807/9928=3...(6) QD2 LEU 6 + HA ALA 89 OK 14 99 - 14 - 9925/3.0=2, 9807/9928=2...(4) QD1 ILE 56 + HA ALA 89 OK 13 70 - 19 - 9925/3.0=4, 9807/9928=3...(7) QD1 ILE 8 - HA ALA 89 lone 5 61 - 8 - 9925/3.0=1, 10696/9929=1 Peak 9931 from cnoeabs.peaks (0.95, 1.34, 17.35 ppm; 3.24 A): 1 out of 3 assignments used, quality = 0.66: QG2 VAL 83 + QB ALA 89 OK 66 94 - 70 - ~9928=17, 9818=15...(14) HG LEU 55 - QB ALA 89 lone 4 92 - 4 - ~9276=1 QG2 VAL 5 - QB ALA 89 lone 3 96 - 3 - Peak 9932 from cnoeabs.peaks (0.76, 1.34, 17.35 ppm; 2.97 A): 3 out of 11 assignments used, quality = 0.45: QD1 ILE 93 + QB ALA 89 OK 25 97 - 26 - 10321=6, 10325/2.1=4...(9) QG2 ILE 93 + QB ALA 89 OK 18 87 - 21 - 4.0/9939=4, 3.1/10321=4...(8) HG13 ILE 93 + QB ALA 89 OK 11 61 - 18 - 2.1/10321=5, 4.6/9939=4...(5) QD1 LEU 27 - QB ALA 89 lone 9 98 - 9 - 1223=2 QD1 ILE 15 - QB ALA 89 lone 8 100 - 8 - 9942/3.6=1, 8439/9940=1 QD2 LEU 42 - QB ALA 89 lone 7 99 - 7 - 9942/3.6=2, ~9930=1, ~9925=1 HG13 ILE 15 - QB ALA 89 lone 6 96 - 6 - 9942/3.6=1 QD1 LEU 6 - QB ALA 89 lone 3 96 - 3 - QG1 VAL 54 - QB ALA 89 lone 3 100 - 3 - QG2 ILE 52 - QB ALA 89 lone 3 73 - 3 - QG1 VAL 78 - QB ALA 89 lone 1 70 - 1 - Peak 9933 from cnoeabs.peaks (2.08, 1.34, 17.35 ppm; 3.58 A): 3 out of 9 assignments used, quality = 0.78: HB3 GLU 88 + QB ALA 89 OK 66 98 - 67 - 7403/2.9=16, 3.0/10787=9...(20) HB2 GLU 23 + QB ALA 89 OK 20 100 - 20 - 7403/2.9=6, 2.9/10465=3...(7) QE MET 21 + QB ALA 89 OK 18 77 - 24 - 8537/3.6=8, 8551=4...(5) HB3 GLU 35 - QB ALA 89 lone 9 100 - 9 - 7403/2.9=2 HG3 GLU 104 - QB ALA 89 poor 9 81 - 11 - ~7404=3, ~3878=2...(5) HB3 GLU 62 - QB ALA 89 lone 8 99 - 8 - 4.6/9939=2, 9944/3.6=1...(4) HB2 GLU 16 - QB ALA 89 lone 5 96 - 6 - 4.6/3910=2, 7403/2.9=1 HB3 GLU 43 - QB ALA 89 lone 4 61 - 6 - 7403/2.9=1 HB3 LEU 38 - QB ALA 89 lone 3 90 - 4 - 7403/2.9=1 Peak 9935 from cnoeabs.peaks (6.87, 3.90, 55.61 ppm; 4.23 A): 2 out of 5 assignments used, quality = 0.77: HD1 TRP 92 + HA ALA 89 OK 70 100 - 71 - 3.9/3905=21, 3.9/3906=15...(13) HD21 ASN 60 + HA ALA 89 OK 22 100 - 22 - 9936/2.1=6, 9934/3.0=5...(7) HE1 TYR 41 - HA ALA 89 poor 8 70 - 12 - 14610=3, 4.3/14610=3, 9934/3.0=2 HE21 GLN 72 - HA ALA 89 poor 7 57 - 12 - 1.7/3900=3, 9934/3.0=2...(4) HE2 TYR 41 - HA ALA 89 poor 7 61 - 11 - 4.3/14610=3, 14610=3, 9934/3.0=1 Peak 9936 from cnoeabs.peaks (6.88, 1.34, 17.35 ppm; 5.54 A): 2 out of 2 assignments used, quality = 0.68: HD1 TRP 92 + QB ALA 89 OK 57 96 - 60 - 9935/2.1=28, 9934/2.9=21...(8) HD21 ASN 60 + QB ALA 89 OK 26 98 - 26 - 9935/2.1=9, 9934/2.9=9...(9) Peak 9937 from cnoeabs.peaks (7.55, 1.34, 17.35 ppm; 4.65 A): 3 out of 3 assignments used, quality = 0.63: H GLU 88 + QB ALA 89 OK 41 65 - 63 - 4.6/7407=18, 3.9/9933=16...(11) H LEU 14 + QB ALA 89 OK 28 100 - 28 - 3.0/10787=5, 6200=4...(10) H ILE 76 + QB ALA 89 OK 12 97 - 13 - 7400/2.9=2, 7411/3.6=2 Peak 9938 from cnoeabs.peaks (7.70, 1.34, 17.35 ppm; 5.04 A): 4 out of 5 assignments used, quality = 0.77: H ALA 25 + QB ALA 89 OK 46 98 - 47 - 3.6/10971=17...(11) H SER 85 + QB ALA 89 OK 33 73 - 45 - 10303/2.9=15, 7373/2.1=7...(11) H LEU 64 + QB ALA 89 OK 24 84 - 29 - 4.6/9939=5, 7030/2.1=4...(11) H MET 21 + QB ALA 89 OK 15 57 - 26 - 10303/2.9=7, 6.1/9933=3...(9) HD22 ASN 51 - QB ALA 89 lone 5 61 - 9 - 10303/2.9=3, 9779/9931=2 Peak 9939 from cnoeabs.peaks (8.37, 1.34, 17.35 ppm; 4.83 A): 4 out of 4 assignments used, quality = 0.75: H ILE 93 + QB ALA 89 OK 49 99 - 49 - 7478/2.1=14, 5.0/9932=9...(11) H GLU 95 + QB ALA 89 OK 33 97 - 34 - 7524/2.1=7, 7532=6...(12) H GLU 63 + QB ALA 89 OK 19 70 - 28 - 10977/3.6=12, 4.6/9938=5...(7) H TYR 4 + QB ALA 89 OK 11 97 - 11 - 4.6/8185=2, 4.6/6020=1 Peak 9940 from cnoeabs.peaks (8.66, 1.34, 17.35 ppm; 4.96 A): 0 out of 3 assignments used, low quality = 0.38: H ALA 18 - QB ALA 89 OK 38 100 - 38 - 8334=12, ~10976=9...(7) H ASP 11 - QB ALA 89 lone 5 73 - 7 - 8394/9937=2 H ASN 10 - QB ALA 89 lone 2 73 - 3 - Peak 9947 from cnoeabs.peaks (0.76, 3.67, 60.35 ppm; 3.54 A): 5 out of 12 assignments used, quality = 0.94: QG2 ILE 93 + HA LYS 90 OK 57 94 - 61 - 2.1/4129=14...(20) QD1 ILE 93 + HA LYS 90 OK 54 92 - 59 - 10025=14, 3.2/4129=11...(19) HG13 ILE 93 + HA LYS 90 OK 38 73 - 52 - 2.1/10025=13...(14) QD2 LEU 42 + HA LYS 90 OK 32 97 - 33 - 3.1/3915=5, 1945/3.0=4...(14) HG13 ILE 15 + HA LYS 90 OK 32 99 - 33 - 2.9/3917=6, 1.8/3980=3...(17) QD1 ILE 15 - HA LYS 90 OK 31 100 - 32 - 3.2/3917=5, 2.1/3980=3...(17) QD1 LEU 27 - HA LYS 90 poor 10 94 - 10 - 9942/3.0=1, 9955/3.6=1 QG1 VAL 54 - HA LYS 90 lone 7 100 - 7 - QD1 LEU 64 - HA LYS 90 lone 6 65 - 10 - 2.1/10245=3, 2.1/10246=2 QG2 ILE 52 - HA LYS 90 lone 5 61 - 8 - ~9151=2, ~9943=1 QD1 LEU 6 - HA LYS 90 lone 4 90 - 4 - QG1 VAL 78 - HA LYS 90 lone 2 81 - 2 - Peak 9948 from cnoeabs.peaks (2.05, 3.67, 60.35 ppm; 3.88 A): 2 out of 11 assignments used, quality = 0.82: HB2 MET 21 + HA LYS 90 OK 64 100 - 64 - 8549=16, 3.0/8546=14...(12) HG12 ILE 93 + HA LYS 90 OK 48 84 - 58 - 2.1/10025=16...(15) HB2 GLU 99 - HA LYS 90 lone 8 97 - 8 - 4.7/10978=2, 12267/3.0=1...(4) HB3 GLU 99 - HA LYS 90 lone 7 84 - 8 - 4.7/10978=2, 12267/3.0=1...(4) HG2 GLU 28 - HA LYS 90 lone 7 84 - 8 - 3.0/3917=3, ~3930=1...(4) HG3 GLU 28 - HA LYS 90 lone 7 84 - 8 - 3.0/3917=3, ~3930=1...(4) HB3 GLU 48 - HA LYS 90 lone 5 100 - 5 - HB3 GLU 43 - HA LYS 90 lone 5 81 - 6 - 12312/3.6=3 HB2 GLU 98 - HA LYS 90 lone 4 98 - 4 - HB3 GLU 98 - HA LYS 90 lone 4 97 - 4 - HB2 MET 74 - HA LYS 90 lone 3 87 - 4 - 9595/9958=1 Peak 9949 from cnoeabs.peaks (2.40, 3.67, 60.35 ppm; 4.40 A): 2 out of 4 assignments used, quality = 0.94: HG3 MET 21 + HA LYS 90 OK 80 99 - 81 - 1.8/8546=22, 3.4/8543=18...(21) HB3 MET 21 + HA LYS 90 OK 71 99 - 72 - 1.8/8549=19, 3.0/8546=18...(16) HG3 MET 1 - HA LYS 90 lone 7 81 - 9 - 12236/6.2=2, 8020/4.0=2 HG2 GLN 50 - HA LYS 90 lone 6 99 - 6 - Peak 9952 from cnoeabs.peaks (4.21, 1.29, 25.29 ppm; 5.30 A): 1 out of 1 assignment used, quality = 0.92: HA ASP 87 + HG2 LYS 90 OK 92 96 - 97 - 9953/2.8=34, 9907/3.8=34...(16) Peak 9953 from cnoeabs.peaks (4.22, 1.83, 32.09 ppm; 4.19 A): 2 out of 4 assignments used, quality = 0.91: HA ASP 87 + HB3 LYS 90 OK 90 100 - 90 - 9951/4.1=25, 9908/1.8=21...(16) HA ASP 87 + HB2 LYS 68 OK 18 93 - 19 - 9951/7418=3, 9907/3993=2...(9) HB THR 31 - HB3 LYS 90 lone 1 61 - 2 - HB THR 31 - HB2 LYS 68 lone 1 52 - 2 - Peak 9954 from cnoeabs.peaks (4.18, 1.58, 25.29 ppm; 4.86 A): 3 out of 6 assignments used, quality = 0.45: HA LYS 73 + HG2 LYS 24 OK 26 55 - 48 - 3.0/7208=4, 3231/1.8=4...(26) HB3 SER 85 + HG3 LYS 90 OK 17 99 - 17 - 10315/2.9=10, ~9871=2, ~10956=2 HB3 SER 85 + HG2 LYS 24 OK 11 74 - 15 - 9847/5.1=7, 9875/3.0=2...(5) HA LYS 73 - HG3 LYS 90 lone 6 81 - 7 - 6.7/3966=1, 6.7/3966=1 HA GLU 98 - HG3 LYS 90 lone 3 100 - 3 - HA GLU 98 - HG2 LYS 24 lone 1 77 - 2 - Peak 9956 from cnoeabs.peaks (3.65, 3.89, 59.16 ppm; 4.43 A): 3 out of 6 assignments used, quality = 0.95: HA GLU 88 + HA ARG 91 OK 82 99 - 83 - 3869/3.0=20, 4024/3.0=20...(19) HA LYS 90 + HA ARG 91 OK 62 77 - 81 - 7428/3.0=22, ~7431=15...(24) HA GLU 88 + HA GLU 35 OK 33 98 - 33 - 10970=6, 3.0/10306=4...(12) HA GLU 88 - HA GLU 43 OK 19 89 - 21 - 10970=4, 3.0/10306=2...(5) HA LYS 90 - HA GLU 35 OK 12 75 - 16 - 3.6/7441=3, ~10308=1, ~10309=1 HA LYS 90 - HA GLU 43 OK 10 65 - 16 - 3.6/7441=4, ~6687=2...(4) Peak 9958 from cnoeabs.peaks (3.66, 1.09, 26.75 ppm; 5.95 A): 2 out of 3 assignments used, quality = 0.71: HA GLU 88 + HG12 ILE 76 OK 48 100 - 48 - 3.0/3433=7, ~3449=5...(17) HA LYS 90 + HG12 ILE 76 OK 45 94 - 48 - ~9627=13, 3.6/7444=10...(10) HB THR 80 - HG12 ILE 76 lone 5 61 - 9 - ~9730=1 Peak 9959 from cnoeabs.peaks (3.67, 1.08, 26.80 ppm; 5.59 A): 2 out of 4 assignments used, quality = 0.92: HA GLU 88 + HG2 ARG 91 OK 78 98 - 79 - 4024/2.8=27, 3869/4.8=21...(15) HA LYS 90 + HG2 ARG 91 OK 62 99 - 62 - 3.6/7444=24, 4024/2.8=18...(11) HB THR 80 - HG2 ARG 91 lone 7 81 - 9 - 7432/4.8=2, ~10195=1 HA LEU 14 - HG2 ARG 91 lone 5 70 - 7 - 7432/4.8=2, 9903/4052=1 Peak 9960 from cnoeabs.peaks (3.65, 2.66, 43.24 ppm; 5.24 A): 1 out of 1 assignment used, quality = 0.65: HA GLU 88 + HD3 ARG 91 OK 65 90 - 72 - 9961/1.8=28, 4024/3.5=19...(16) Peak 9961 from cnoeabs.peaks (3.65, 2.49, 43.24 ppm; 5.18 A): 2 out of 2 assignments used, quality = 0.85: HA GLU 88 + HD2 ARG 91 OK 78 96 - 81 - 9960/1.8=40, 4024/3.5=22...(16) HA LYS 90 + HD2 ARG 91 OK 35 65 - 53 - 3.6/4062=16, 4024/3.5=14...(11) Peak 9962 from cnoeabs.peaks (2.12, 2.49, 43.24 ppm; 5.52 A): 6 out of 13 assignments used, quality = 0.83: HB2 PRO 86 + HD2 ARG 91 OK 43 100 - 44 - 3.9/4070=11, 10957/3.5=5...(15) HB3 PRO 86 + HD2 ARG 91 OK 38 87 - 44 - 3.9/4070=11, 3.0/9893=4...(16) HB VAL 83 + HD2 ARG 91 OK 22 99 - 22 - 9829/4.8=6, ~9812=5...(5) HB2 LEU 64 + HD2 ARG 91 OK 20 99 - 20 - 1.8/4064=3, 3.0/4064=2...(6) HG3 GLU 37 + HD2 ARG 91 OK 12 97 - 12 - 8846/3.5=3, 8847/2.9=2...(4) HB3 GLU 37 + HD2 ARG 91 OK 11 94 - 11 - ~8846=2, ~1586=2...(6) QE MET 21 - HD2 ARG 91 poor 9 65 - 14 - 8539/6.1=5, 8543/9961=1 HG2 GLU 44 - HD2 ARG 91 lone 5 65 - 7 - ~10186=2, ~10187=1, 10798/3.5=1 HB3 GLU 69 - HD2 ARG 91 lone 4 92 - 5 - HB2 GLU 69 - HD2 ARG 91 lone 4 92 - 5 - HG2 GLU 69 - HD2 ARG 91 lone 3 92 - 3 - HG3 GLU 104 - HD2 ARG 91 lone 2 61 - 3 - HB2 GLU 75 - HD2 ARG 91 lone 2 61 - 3 - Peak 9964 from cnoeabs.peaks (7.00, 2.49, 43.24 ppm; 4.93 A): 1 out of 2 assignments used, quality = 0.99: HE ARG 91 + HD2 ARG 91 OK 99 99 - 100 - 2.9=100 HD21 ASN 10 - HD2 ARG 91 lone 4 70 - 5 - 9965/1.8=2 Peak 9965 from cnoeabs.peaks (7.00, 2.66, 43.24 ppm; 5.25 A): 1 out of 3 assignments used, quality = 1.00: * HE ARG 91 + HD3 ARG 91 OK 100 100 - 100 - 2.9=100 HD21 ASN 51 - HD3 ARG 91 OK 29 61 - 48 - 12239/3.5=7, 1.7/6850=6...(19) HD21 ASN 10 - HD3 ARG 91 lone 6 84 - 7 - 9964/1.8=2, 12239/3.5=1 Peak 9968 from cnoeabs.peaks (8.13, 6.87, 127.01 ppm; 5.46 A): 2 out of 3 assignments used, quality = 0.97: H TRP 92 + HD1 TRP 92 OK 93 97 - 96 - 5.9=79, 7464/3.9=33...(12) H ASP 87 + HD1 TRP 92 OK 51 100 - 51 - 9967/2.6=11, 9897/5.1=10...(12) H GLY 100 - HD1 TRP 92 OK 21 94 - 22 - 9967/2.6=4, 4080/4.5=4...(5) Peak 9976 from cnoeabs.peaks (2.15, 7.07, 122.39 ppm; 6.36 A): 3 out of 8 assignments used, quality = 0.72: HG2 GLU 88 + HZ3 TRP 92 OK 51 91 - 56 - 3892/2.5=16, ~3899=15...(9) HB3 GLU 95 + HZ3 TRP 92 OK 32 81 - 40 - ~11015=22, 4093/6.9=13 HB2 GLN 72 + HZ3 TRP 92 OK 18 65 - 27 - 14641/2.5=6, ~12179=6...(6) HG2 GLU 104 - HZ3 TRP 92 lone 9 95 - 10 - ~3878=2, 14641/2.5=2...(4) HB3 GLU 23 - HZ3 TRP 92 lone 7 91 - 8 - 14641/2.5=2, 4093/6.9=2 HB2 GLU 75 - HZ3 TRP 92 lone 4 78 - 5 - ~9982=2, ~14641=1 HB3 GLU 16 - HZ3 TRP 92 lone 3 57 - 5 - 14641/2.5=1 HG2 GLU 44 - HZ3 TRP 92 lone 2 75 - 3 - Peak 9977 from cnoeabs.peaks (4.81, 7.24, 124.39 ppm; 5.65 A): 3 out of 3 assignments used, quality = 0.83: HA VAL 83 + HH2 TRP 92 OK 65 82 - 80 - ~9776=23, ~9781=22...(9) HA TRP 92 + HH2 TRP 92 OK 39 82 - 47 - 8.1=34, 14638/4.3=10, 9978/2.4=9 HA ASN 60 + HH2 TRP 92 OK 23 94 - 24 - 2692/6.6=7, 9978/2.4=5...(5) Peak 9978 from cnoeabs.peaks (4.80, 7.07, 122.39 ppm; 5.33 A): 4 out of 4 assignments used, quality = 0.93: HA VAL 83 + HZ3 TRP 92 OK 82 93 - 88 - 3.2/9781=31, 3.0/9776=31...(11) HA TRP 92 + HZ3 TRP 92 OK 37 57 - 65 - 6.9=46, 14638/2.5=14...(4) HA ASN 60 + HZ3 TRP 92 OK 22 81 - 27 - 9977/2.4=6, 2692/6.6=5...(8) HA THR 34 + HZ3 TRP 92 OK 17 50 - 33 - 3.0/5547=6, ~1522=5...(11) Peak 9979 from cnoeabs.peaks (3.88, 6.87, 127.01 ppm; 6.09 A): 5 out of 10 assignments used, quality = 0.65: HA ARG 91 + HD1 TRP 92 OK 44 92 - 48 - 3.6/7466=30, 3.0/14633=8...(9) HA LEU 38 + HD1 TRP 92 OK 12 99 - 12 - 3.7/14633=2, 3.0/14633=2...(4) HA2 GLY 100 + HD1 TRP 92 OK 12 87 - 13 - 2.9/14645=5, ~9967=3, 4435/5.9=2 HA GLU 43 + HD1 TRP 92 OK 11 99 - 11 - 12085/3.9=2, 7456/5.9=2 HA GLU 35 + HD1 TRP 92 OK 10 94 - 11 - 7456/5.9=2, 12085/3.9=2 HA3 GLY 101 - HD1 TRP 92 lone 6 77 - 8 - 7456/5.9=3 HA LYS 40 - HD1 TRP 92 lone 5 84 - 6 - HA2 GLY 101 - HD1 TRP 92 lone 5 87 - 6 - 4435/5.9=2 HB2 SER 102 - HD1 TRP 92 lone 5 73 - 6 - 7456/5.9=1 HA LYS 94 - HD1 TRP 92 lone 4 87 - 5 - Peak 9980 from cnoeabs.peaks (3.18, 7.43, 120.39 ppm; 5.70 A): 2 out of 5 assignments used, quality = 0.74: HB3 TRP 92 + HE3 TRP 92 OK 70 70 - 100 - 4.2=100 HD3 ARG 46 + HE3 TRP 92 OK 15 77 - 20 - 7465/5.9=4, 4083/4.8=3...(6) HD2 ARG 19 - HE3 TRP 92 lone 5 100 - 5 - HD3 ARG 19 - HE3 TRP 92 lone 5 100 - 5 - HB2 HIS 106 - HE3 TRP 92 lone 5 98 - 5 - 4553/5.9=1 Peak 9981 from cnoeabs.peaks (3.08, 7.43, 120.39 ppm; 5.84 A): 2 out of 7 assignments used, quality = 0.68: HB2 TRP 92 + HE3 TRP 92 OK 61 61 - 100 - 4.2=100 HB2 PHE 96 + HE3 TRP 92 OK 17 70 - 24 - 9971/5.3=5, 7464/5.9=4...(7) HD3 ARG 30 - HE3 TRP 92 lone 6 100 - 6 - 9971/5.3=1 HD3 ARG 79 - HE3 TRP 92 lone 6 96 - 6 - 9254/14644=2, 10911/14642=1 HD2 ARG 79 - HE3 TRP 92 lone 5 92 - 6 - 9254/14644=2, 10911/14642=1 HB3 ASN 26 - HE3 TRP 92 lone 2 77 - 3 - HB3 HIS 105 - HE3 TRP 92 lone 1 70 - 2 - Peak 9982 from cnoeabs.peaks (2.17, 7.43, 120.39 ppm; 5.88 A): 2 out of 9 assignments used, quality = 0.49: HB3 GLU 95 + HE3 TRP 92 OK 31 84 - 38 - 2.9/11015=23...(3) HB2 GLN 72 + HE3 TRP 92 OK 25 96 - 26 - 3.0/3225=6, 12177=5...(7) HB3 GLU 23 - HE3 TRP 92 lone 6 65 - 9 - 4093/4.8=2, 4.6/7397=2 HB3 GLU 16 - HE3 TRP 92 lone 5 98 - 5 - HG2 GLU 75 - HE3 TRP 92 lone 4 100 - 4 - HB3 GLN 50 - HE3 TRP 92 lone 4 100 - 4 - HG3 GLU 75 - HE3 TRP 92 lone 4 100 - 4 - HB3 GLU 75 - HE3 TRP 92 lone 3 65 - 4 - HG2 GLU 43 - HE3 TRP 92 lone 2 70 - 3 - Peak 9984 from cnoeabs.peaks (0.97, 3.10, 29.79 ppm; 5.72 A): 2 out of 3 assignments used, quality = 0.97: HG LEU 55 + HB2 TRP 92 OK 88 94 - 94 - 2.1/9987=48, ~9992=39...(14) QG2 VAL 83 + HB2 TRP 92 OK 76 92 - 83 - 2.1/10946=30...(14) QG2 THR 80 - HB2 TRP 92 OK 31 97 - 32 - 14642/4.2=9, 9363/9357=5...(7) Peak 9985 from cnoeabs.peaks (0.80, 3.10, 29.79 ppm; 4.22 A): 6 out of 8 assignments used, quality = 0.88: QD2 LEU 57 + HB2 TRP 92 OK 70 99 - 71 - 2.1/9357=33, ~9358=14...(15) QD1 ILE 76 + HB2 TRP 92 OK 24 100 - 24 - 9991/1.8=6, 9983/4.0=5...(9) QD2 LEU 2 + HB2 TRP 92 OK 15 94 - 16 - 9991/1.8=3, 14636/3.9=3...(6) QD2 LEU 70 + HB2 TRP 92 OK 15 96 - 15 - 9991/1.8=3, 14636/3.9=3...(6) QG2 ILE 7 + HB2 TRP 92 OK 14 100 - 14 - 9991/1.8=3, 2646/9357=3...(5) QG2 ILE 15 + HB2 TRP 92 OK 14 92 - 15 - 10120/1.8=4, 14636/3.9=3...(5) QD1 LEU 70 - HB2 TRP 92 poor 10 73 - 13 - 9991/1.8=3, ~9991=2...(6) QG2 ILE 8 - HB2 TRP 92 lone 5 84 - 6 - Peak 9986 from cnoeabs.peaks (0.71, 3.10, 29.79 ppm; 6.50 A): 4 out of 8 assignments used, quality = 0.57: QG1 VAL 5 + HB2 TRP 92 OK 28 70 - 41 - 2.1/8177=17...(6) QD2 LEU 14 + HB2 TRP 92 OK 23 100 - 23 - 8433/4.2=8, 10408/3905=4...(5) QD1 ILE 56 + HB2 TRP 92 OK 12 100 - 12 - ~10995=2, 10682/10946=2...(4) HG13 ILE 56 + HB2 TRP 92 OK 11 99 - 11 - 10675/9984=2, 10675/9984=2 QD1 ILE 52 - HB2 TRP 92 poor 9 77 - 11 - 2374/6.5=6 QD1 ILE 8 - HB2 TRP 92 lone 8 100 - 8 - 3.0/9985=1 QG2 VAL 78 - HB2 TRP 92 lone 8 87 - 9 - ~10995=2, 8195/9987=1 QG1 VAL 58 - HB2 TRP 92 lone 6 90 - 7 - 10223/9984=2, 10223/9984=1 Peak 9987 from cnoeabs.peaks (0.49, 3.10, 29.79 ppm; 4.68 A): 1 out of 1 assignment used, quality = 0.62: QD2 LEU 55 + HB2 TRP 92 OK 62 73 - 84 - 9992/1.8=30, ~9255=24...(16) Peak 9988 from cnoeabs.peaks (0.40, 3.10, 29.79 ppm; 5.29 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9990 from cnoeabs.peaks (0.96, 3.19, 29.79 ppm; 5.38 A): 2 out of 3 assignments used, quality = 0.96: HG LEU 55 + HB3 TRP 92 OK 82 94 - 87 - 2.1/9992=46, 2.1/9255=38...(11) QG2 VAL 83 + HB3 TRP 92 OK 77 96 - 81 - 10296/5.3=23...(13) QG2 VAL 5 - HB3 TRP 92 OK 39 94 - 41 - 8177/1.8=12...(9) Peak 9991 from cnoeabs.peaks (0.81, 3.19, 29.79 ppm; 4.21 A): 7 out of 9 assignments used, quality = 0.89: QD2 LEU 57 + HB3 TRP 92 OK 64 92 - 69 - ~9357=23, 2.1/9358=19...(15) QD1 ILE 76 + HB3 TRP 92 OK 28 99 - 29 - 9985/1.8=5, 10881=5...(9) QG2 ILE 15 + HB3 TRP 92 OK 19 99 - 19 - 10120=5, 14636/3.9=3...(7) QD2 LEU 2 + HB3 TRP 92 OK 17 100 - 17 - 9985/1.8=3, 14636/3.9=3...(6) QD2 LEU 70 + HB3 TRP 92 OK 16 100 - 16 - 9985/1.8=3, 14636/3.9=3...(6) QG2 ILE 7 + HB3 TRP 92 OK 13 97 - 14 - 9985/1.8=3, 14636/3.9=2...(6) QD1 LEU 70 + HB3 TRP 92 OK 12 92 - 13 - ~9985=2, 14636/3.9=2...(6) QG2 ILE 8 - HB3 TRP 92 lone 3 61 - 5 - 9985/1.8=1 QD2 LEU 38 - HB3 TRP 92 lone 3 70 - 4 - Peak 9992 from cnoeabs.peaks (0.50, 3.19, 29.79 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.82: QD2 LEU 55 + HB3 TRP 92 OK 82 99 - 83 - 2.1/9255=31, 9987/1.8=27...(13) Peak 9993 from cnoeabs.peaks (0.43, 3.19, 29.79 ppm; 4.66 A): 2 out of 2 assignments used, quality = 0.92: QD1 LEU 55 + HB3 TRP 92 OK 85 96 - 89 - 2.1/9992=39, 9255=37...(12) HG2 ARG 81 + HB3 TRP 92 OK 48 100 - 49 - 12215=13, ~12216=10...(9) Peak 9994 from cnoeabs.peaks (2.10, 6.87, 127.01 ppm; 6.20 A): 2 out of 9 assignments used, quality = 0.93: HB VAL 83 + HD1 TRP 92 OK 88 92 - 96 - ~10295=42, 2.1/14635=42...(13) HB3 PRO 86 + HD1 TRP 92 OK 45 100 - 45 - 3.9/14645=12...(10) HG3 GLU 104 - HD1 TRP 92 OK 25 99 - 25 - ~12226=6, 3.0/12224=5...(5) HB2 PRO 86 - HD1 TRP 92 OK 22 70 - 32 - 3.9/14645=12, ~9972=6...(7) HG3 GLU 37 - HD1 TRP 92 OK 22 97 - 22 - 8814/6.6=9, 9972/2.6=4...(4) HB2 LEU 64 - HD1 TRP 92 OK 19 92 - 20 - 3.0/14633=4, 9972/2.6=3...(8) QE MET 21 - HD1 TRP 92 OK 13 99 - 13 - 9972/2.6=2, 10974/9935=2...(4) HB2 GLU 23 - HD1 TRP 92 lone 5 73 - 6 - HB3 GLU 62 - HD1 TRP 92 lone 3 81 - 4 - Peak 9995 from cnoeabs.peaks (0.99, 6.87, 127.01 ppm; 3.96 A): 2 out of 2 assignments used, quality = 0.51: QG1 VAL 83 + HD1 TRP 92 OK 42 61 - 68 - 2.1/9782=15, ~10296=15...(15) QG2 THR 80 + HD1 TRP 92 OK 15 90 - 17 - 14642/5.1=3, 9914/9922=2...(8) Peak 9996 from cnoeabs.peaks (0.81, 6.87, 127.01 ppm; 4.75 A): 8 out of 11 assignments used, quality = 0.90: QD1 LEU 57 + HD1 TRP 92 OK 45 84 - 54 - 9357/3.9=20, 9358/3.9=12...(12) QD2 LEU 57 + HD1 TRP 92 OK 31 61 - 50 - 2.1/9342=13, 9991/3.9=10...(13) QG2 ILE 15 + HD1 TRP 92 OK 24 99 - 25 - 9999/2.6=5, ~9975=5...(8) QD2 LEU 2 + HD1 TRP 92 OK 24 98 - 24 - 3.1/14634=8, 9999/2.6=4...(8) QD2 LEU 70 + HD1 TRP 92 OK 20 97 - 21 - 9999/2.6=4, ~9999=3...(8) QD1 LEU 70 + HD1 TRP 92 OK 19 100 - 19 - 9999/2.6=4, ~9999=3...(8) QD1 ILE 76 + HD1 TRP 92 OK 18 81 - 22 - 9991/3.9=4, 9999/2.6=3...(7) QG2 ILE 7 + HD1 TRP 92 OK 10 73 - 14 - 9999/2.6=2, 9991/3.9=2...(4) QD2 LEU 38 - HD1 TRP 92 poor 10 96 - 10 - 3.8/9979=2, 2.1/14633=1 QG2 VAL 32 - HD1 TRP 92 lone 4 70 - 6 - 4.1/8743=2, ~9973=1 QD2 LEU 103 - HD1 TRP 92 lone 2 87 - 3 - Peak 9997 from cnoeabs.peaks (0.81, 7.43, 120.39 ppm; 5.15 A): 8 out of 11 assignments used, quality = 0.92: QD2 LEU 57 + HE3 TRP 92 OK 47 73 - 65 - 2.1/9341=20, 9991/4.2=12...(14) QD1 LEU 57 + HE3 TRP 92 OK 42 73 - 58 - 9357/4.2=17, 2.1/9343=16...(9) QD1 ILE 76 + HE3 TRP 92 OK 23 90 - 25 - 9991/4.2=5, 14662/2.5=4...(7) QG2 ILE 15 + HE3 TRP 92 OK 23 100 - 23 - 10120/4.2=5, 9999/5.3=4...(8) QD2 LEU 70 + HE3 TRP 92 OK 22 99 - 22 - 14662/2.5=4, 9999/5.3=3...(7) QD2 LEU 2 + HE3 TRP 92 OK 20 100 - 20 - 14636/5.1=3, 9991/4.2=3...(6) QD1 LEU 70 + HE3 TRP 92 OK 19 99 - 19 - 14662/2.5=3, ~14662=3...(7) QG2 ILE 7 + HE3 TRP 92 OK 14 84 - 16 - 9991/4.2=2, 14662/2.5=2...(6) QD2 LEU 38 - HE3 TRP 92 lone 6 90 - 6 - 9996/5.1=1, 14665/4.3=1 QG2 VAL 32 - HE3 TRP 92 lone 2 57 - 4 - QD2 LEU 103 - HE3 TRP 92 lone 2 77 - 2 - Peak 10002 from cnoeabs.peaks (0.98, 7.07, 122.39 ppm; 6.50 A): 3 out of 3 assignments used, quality = 0.87: QG2 VAL 83 + HZ3 TRP 92 OK 62 65 - 97 - 2.1/9776=42...(18) HG LEU 55 + HZ3 TRP 92 OK 45 68 - 66 - ~9276=26, ~14644=20...(11) QG2 THR 80 + HZ3 TRP 92 OK 36 94 - 39 - 14642/2.5=15, 9995/6.6=6...(7) Peak 10003 from cnoeabs.peaks (1.70, 7.49, 114.58 ppm; 6.19 A): 4 out of 14 assignments used, quality = 0.51: HG12 ILE 15 + HZ2 TRP 92 OK 22 86 - 26 - ~9975=7, ~10001=5...(5) HB2 LEU 2 + HZ2 TRP 92 OK 17 98 - 18 - 8051/2358=4, ~9999=4...(6) HG LEU 70 + HZ2 TRP 92 OK 14 95 - 15 - ~9999=5, ~9975=4, ~14665=4 HB3 LEU 70 + HZ2 TRP 92 OK 11 86 - 13 - ~9999=4, 9975/2.8=3, ~14665=3 HG2 PRO 86 - HZ2 TRP 92 poor 9 83 - 11 - ~9972=5, 3838/8.7=3 HB3 LYS 53 - HZ2 TRP 92 poor 8 58 - 14 - 3.9/6867=9, 9205/4.3=2 HD3 LYS 90 - HZ2 TRP 92 lone 7 92 - 7 - ~9975=2, 1.8/14667=2 HD2 LYS 13 - HZ2 TRP 92 lone 3 97 - 3 - HD3 LYS 13 - HZ2 TRP 92 lone 3 98 - 3 - HD3 LYS 24 - HZ2 TRP 92 lone 3 92 - 3 - HD2 LYS 24 - HZ2 TRP 92 lone 3 90 - 3 - HD2 LYS 12 - HZ2 TRP 92 lone 3 97 - 3 - HD3 LYS 12 - HZ2 TRP 92 lone 3 97 - 3 - HD3 LYS 66 - HZ2 TRP 92 lone 3 98 - 3 - Peak 10004 from cnoeabs.peaks (7.01, 3.54, 66.22 ppm; 4.82 A): 2 out of 3 assignments used, quality = 0.74: HD2 PHE 96 + HA ILE 93 OK 51 70 - 73 - 3.7/4128=34, 3.7/4325=34...(11) HD1 PHE 96 + HA ILE 93 OK 47 65 - 73 - 3.7/4128=34, 3.7/4325=34...(11) HE ARG 91 - HA ILE 93 lone 1 70 - 1 - Peak 10007 from cnoeabs.peaks (1.32, 3.54, 66.22 ppm; 6.00 A): 5 out of 7 assignments used, quality = 0.94: HG2 LYS 94 + HA ILE 93 OK 67 81 - 83 - 4.9/7527=31, 4208/3.6=12...(18) QB ALA 89 + HA ILE 93 OK 44 81 - 55 - 9939/3.0=13, ~7478=12...(12) HB3 LEU 27 + HA ILE 93 OK 34 61 - 56 - 10321/4.2=8, ~10326=7...(23) QB ALA 25 + HA ILE 93 OK 33 81 - 42 - 10476/3.6=7, 8621/3.2=6...(11) QB ALA 67 + HA ILE 93 OK 26 87 - 30 - 10006/3.0=9, 2.1/10998=5...(10) HB3 LEU 2 - HA ILE 93 OK 22 96 - 23 - 10006/3.0=13, 7515/3.6=2...(5) HB2 LYS 82 - HA ILE 93 lone 6 65 - 9 - ~9761=1, 10321/4.2=1 Peak 10008 from cnoeabs.peaks (0.92, 3.54, 66.22 ppm; 5.03 A): 0 out of 2 assignments used, low quality = 0.36: HB2 ARG 81 - HA ILE 93 OK 36 84 - 43 - 10018/4.0=13...(16) QG1 VAL 32 - HA ILE 93 lone 1 84 - 2 - Peak 10009 from cnoeabs.peaks (0.49, 3.54, 66.22 ppm; 3.88 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10010 from cnoeabs.peaks (2.39, 1.80, 37.57 ppm; 5.16 A): 2 out of 3 assignments used, quality = 0.98: HG3 MET 21 + HB ILE 93 OK 87 94 - 93 - 10013/2.1=21...(29) HB3 MET 21 + HB ILE 93 OK 86 96 - 90 - 10013/2.1=21...(27) HG2 GLN 50 - HB ILE 93 OK 29 94 - 31 - 10013/2.1=6, 2299/3.0=4...(13) Peak 10011 from cnoeabs.peaks (2.93, 1.80, 37.57 ppm; 4.55 A): 5 out of 10 assignments used, quality = 0.95: HG2 MET 21 + HB ILE 93 OK 76 87 - 87 - 8558/2.1=14, 8556=14...(26) HE3 LYS 90 + HB ILE 93 OK 42 96 - 44 - 6.2/4129=9, 10012/2.1=6...(14) HE2 LYS 94 + HB ILE 93 OK 39 96 - 41 - 10012/2.1=7, 7.3/4137=7...(12) HE3 LYS 94 + HB ILE 93 OK 27 70 - 38 - 7.3/4137=7, ~11010=6...(11) HB2 ASN 10 + HB ILE 93 OK 15 100 - 15 - 8357/3.2=6, 10012/2.1=3...(4) HB2 ASN 51 - HB ILE 93 poor 7 65 - 10 - ~10032=2, 10024/3.2=2...(4) HE2 LYS 68 - HB ILE 93 lone 6 65 - 8 - 7519/4.4=2, 10012/2.1=1 HE3 LYS 20 - HB ILE 93 lone 5 77 - 7 - 7519/4.4=2, 10012/2.1=1 HE2 LYS 20 - HB ILE 93 lone 5 73 - 7 - 7519/4.4=2, 10012/2.1=1 HE3 LYS 73 - HB ILE 93 lone 3 65 - 4 - Peak 10012 from cnoeabs.peaks (2.93, 0.75, 17.00 ppm; 4.42 A): 4 out of 10 assignments used, quality = 0.95: HG2 MET 21 + QG2 ILE 93 OK 79 87 - 90 - 1.8/10013=19...(29) HE2 LYS 94 + QG2 ILE 93 OK 44 96 - 47 - 3.0/11010=10...(13) HE3 LYS 90 + QG2 ILE 93 OK 39 96 - 41 - 3.8/11000=10...(11) HE3 LYS 94 + QG2 ILE 93 OK 30 70 - 44 - 3.0/11010=10...(12) HB2 ASN 10 - QG2 ILE 93 OK 19 100 - 19 - 8357/3.1=6, 1.8/8359=3...(7) HB2 ASN 51 - QG2 ILE 93 OK 10 65 - 16 - 3.5/10032=3, 10024/3.1=2...(6) HE2 LYS 68 - QG2 ILE 93 poor 7 65 - 11 - 7519/4.3=2, 3.6/10320=1 HE3 LYS 20 - QG2 ILE 93 lone 7 77 - 9 - 7519/4.3=2, 6331/10032=1 HE2 LYS 20 - QG2 ILE 93 lone 7 73 - 9 - 7519/4.3=2, 6331/10032=1 HE3 LYS 73 - QG2 ILE 93 lone 4 65 - 6 - Peak 10013 from cnoeabs.peaks (2.39, 0.75, 17.00 ppm; 4.00 A): 2 out of 3 assignments used, quality = 0.96: HB3 MET 21 + QG2 ILE 93 OK 81 96 - 85 - 4.6/11002=17...(31) HG3 MET 21 + QG2 ILE 93 OK 79 94 - 84 - 1.8/8558=16...(32) HG2 GLN 50 - QG2 ILE 93 OK 22 94 - 23 - 10010/2.1=3, 2299/3.2=3...(9) Peak 10014 from cnoeabs.peaks (0.50, 0.75, 17.00 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.83: QD2 LEU 55 + QG2 ILE 93 OK 83 92 - 91 - 10021/3.1=34...(16) Peak 10015 from cnoeabs.peaks (0.50, 1.80, 37.57 ppm; 5.70 A): 1 out of 1 assignment used, quality = 0.97: QD2 LEU 55 + HB ILE 93 OK 97 99 - 97 - 9262/3.0=48...(13) Peak 10016 from cnoeabs.peaks (0.49, 2.04, 30.82 ppm; 4.95 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10017 from cnoeabs.peaks (0.94, 2.04, 30.82 ppm; 4.99 A): 2 out of 2 assignments used, quality = 0.85: QG2 VAL 5 + HG12 ILE 93 OK 71 100 - 71 - 8176/4.0=30...(11) HB2 ARG 81 + HG12 ILE 93 OK 49 90 - 55 - 10322/3.2=20...(13) Peak 10018 from cnoeabs.peaks (0.93, 0.74, 30.82 ppm; 4.82 A): 2 out of 2 assignments used, quality = 0.86: HB2 ARG 81 + HG13 ILE 93 OK 71 100 - 71 - 10322/3.2=19...(24) QG2 VAL 5 + HG13 ILE 93 OK 52 77 - 67 - ~10198=21, 10322/3.2=19...(12) Peak 10019 from cnoeabs.peaks (0.50, 0.74, 30.82 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.84: QD2 LEU 55 + HG13 ILE 93 OK 84 92 - 92 - 10021/2.1=43...(15) Peak 10020 from cnoeabs.peaks (1.22, 0.77, 14.14 ppm; 3.15 A): 1 out of 1 assignment used, quality = 0.62: QB ALA 18 + QD1 ILE 93 OK 62 98 - 63 - 2.1/10026=27, 8482=15...(12) Peak 10021 from cnoeabs.peaks (0.49, 0.77, 14.14 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.53: QD2 LEU 55 + QD1 ILE 93 OK 53 73 - 73 - 10019/2.1=25...(12) Peak 10022 from cnoeabs.peaks (1.22, 0.74, 30.82 ppm; 5.78 A): 1 out of 1 assignment used, quality = 0.80: QB ALA 18 + HG13 ILE 93 OK 80 87 - 92 - 10020/2.1=48, ~10026=44...(11) Peak 10023 from cnoeabs.peaks (1.22, 2.04, 30.82 ppm; 6.05 A): 1 out of 1 assignment used, quality = 0.82: QB ALA 18 + HG12 ILE 93 OK 82 87 - 94 - 10020/2.1=48, ~10026=46...(11) Peak 10024 from cnoeabs.peaks (2.94, 0.77, 14.14 ppm; 4.71 A): 2 out of 7 assignments used, quality = 0.94: HG2 MET 21 + QD1 ILE 93 OK 91 100 - 91 - 8558/2.1=17, 8558/3.1=16...(29) HE3 LYS 90 + QD1 ILE 93 OK 38 99 - 38 - 6.2/10025=11, 4.8/4164=6...(9) HB2 ASN 10 - QD1 ILE 93 OK 20 87 - 23 - 8357=6, 3.0/8356=3...(10) HB2 ASN 51 - QD1 ILE 93 OK 20 98 - 20 - 4.0/9107=3, 3.5/11001=3...(7) HE3 LYS 73 - QD1 ILE 93 lone 6 98 - 7 - HE2 LYS 73 - QD1 ILE 93 lone 5 90 - 6 - HE3 LYS 13 - QD1 ILE 93 lone 3 65 - 5 - 3.8/10327=1 Peak 10025 from cnoeabs.peaks (3.66, 0.77, 14.14 ppm; 4.03 A): 2 out of 2 assignments used, quality = 0.76: HA LYS 90 + QD1 ILE 93 OK 60 90 - 67 - 4129/3.2=12...(22) HA GLU 88 + QD1 ILE 93 OK 41 100 - 41 - 10027/3.1=10, 4129/3.2=7...(17) Peak 10026 from cnoeabs.peaks (3.78, 0.77, 14.14 ppm; 3.51 A): 1 out of 1 assignment used, quality = 0.78: HA ALA 18 + QD1 ILE 93 OK 78 100 - 78 - 2.1/10020=38, 8480=13...(18) Peak 10027 from cnoeabs.peaks (3.65, 0.75, 17.00 ppm; 4.98 A): 2 out of 2 assignments used, quality = 0.78: HA LYS 90 + QG2 ILE 93 OK 54 70 - 78 - 10025/3.1=23...(24) HA GLU 88 + QG2 ILE 93 OK 52 97 - 54 - 10025/3.1=16, 4129/2.1=7...(16) Peak 10028 from cnoeabs.peaks (3.83, 0.75, 17.00 ppm; 3.66 A): 4 out of 5 assignments used, quality = 0.86: HA ALA 22 + QG2 ILE 93 OK 68 100 - 68 - 3.0/11002=20...(18) HA SER 97 + QG2 ILE 93 OK 42 90 - 47 - 3.0/10324=16, ~7565=9...(11) HA ALA 71 + QG2 ILE 93 OK 16 65 - 24 - 3.0/4145=4, 10998/3.2=4...(9) HA ARG 19 + QG2 ILE 93 OK 11 65 - 16 - ~11005=5, 786/11002=2...(6) HB3 SER 102 - QG2 ILE 93 lone 2 70 - 3 - Peak 10029 from cnoeabs.peaks (3.86, 1.80, 37.57 ppm; 5.40 A): 2 out of 10 assignments used, quality = 0.92: HA LYS 94 + HB ILE 93 OK 89 100 - 89 - 3.0/4137=25...(23) HA ALA 71 + HB ILE 93 OK 23 65 - 36 - 3.0/4137=9, ~4145=6...(9) HA LEU 38 - HB ILE 93 OK 20 92 - 22 - 12249/2.1=3, 8855/3.0=3...(7) HA LYS 40 - HB ILE 93 OK 19 100 - 19 - 7512/4.4=3, 12249/2.1=3...(5) HA ALA 67 - HB ILE 93 OK 18 92 - 20 - 7512/4.4=4, 12249/2.1=3...(6) HA2 GLY 101 - HB ILE 93 OK 15 100 - 15 - 7512/4.4=3, ~10325=2...(5) HB3 SER 49 - HB ILE 93 OK 14 97 - 15 - 12249/2.1=2, 9072/3.2=2...(6) HA GLU 43 - HB ILE 93 OK 14 61 - 23 - 2.9/6687=5, 7502/4.4=4...(6) HA LYS 12 - HB ILE 93 OK 12 94 - 13 - 12249/2.1=2, 7512/4.4=2...(4) HA2 GLY 100 - HB ILE 93 OK 12 100 - 12 - 7512/4.4=2, 12249/2.1=2 Peak 10030 from cnoeabs.peaks (4.44, 0.75, 17.00 ppm; 5.41 A): 0 out of 4 assignments used, low quality = 0.18: HA GLU 48 - QG2 ILE 93 OK 18 96 - 19 - ~9039=3, 3.0/4142=3...(9) HB THR 84 - QG2 ILE 93 lone 8 99 - 8 - 4.7/10032=4, 3769/10032=1 HA ILE 76 - QG2 ILE 93 lone 6 96 - 6 - 3.8/10326=2 HA SER 9 - QG2 ILE 93 lone 6 97 - 6 - ~8329=1 Peak 10031 from cnoeabs.peaks (7.03, 0.75, 17.00 ppm; 5.41 A): 2 out of 2 assignments used, quality = 0.83: HD2 PHE 96 + QG2 ILE 93 OK 59 100 - 59 - 3.7/10049=11...(16) HD1 PHE 96 + QG2 ILE 93 OK 58 100 - 59 - 3.7/10049=11...(16) Peak 10032 from cnoeabs.peaks (7.69, 0.75, 17.00 ppm; 4.98 A): 4 out of 4 assignments used, quality = 0.91: H MET 21 + QG2 ILE 93 OK 78 94 - 84 - 4.6/11002=27...(20) H ALA 25 + QG2 ILE 93 OK 33 70 - 48 - 2.9/8621=9, 11001/3.1=6...(16) H SER 85 + QG2 ILE 93 OK 23 99 - 23 - 4.7/10030=5, 11001/3.1=4...(5) HD22 ASN 51 + QG2 ILE 93 OK 22 96 - 23 - 11001/3.1=4...(11) Peak 10036 from cnoeabs.peaks (4.79, 2.27, 36.47 ppm; 4.93 A): 3 out of 8 assignments used, quality = 0.59: HA THR 34 + HG2 GLU 95 OK 43 96 - 45 - 10037/1.8=29, ~8760=8...(4) HA THR 34 + HG3 GLU 62 OK 15 59 - 26 - 3.0/8754=7, ~8754=5...(8) HA THR 34 + HG2 GLU 62 OK 15 59 - 26 - 3.0/8754=7, ~8754=5...(8) HA VAL 83 - HG2 GLU 95 lone 6 96 - 6 - 10037/1.8=4 HA THR 34 - HG2 GLU 23 lone 5 79 - 7 - 10037/4311=2, 3.0/8754=2 HA VAL 83 - HG2 GLU 23 lone 2 79 - 2 - HA VAL 83 - HG3 GLU 62 lone 1 59 - 3 - HA VAL 83 - HG2 GLU 62 lone 1 59 - 3 - Peak 10037 from cnoeabs.peaks (4.78, 2.52, 36.47 ppm; 5.36 A): 0 out of 2 assignments used, low quality = 0.44: HA THR 34 - HG3 GLU 95 OK 44 100 - 44 - 10036/1.8=21...(5) HA VAL 83 - HG3 GLU 95 lone 6 81 - 7 - 10036/1.8=3, 14638/11015=2 Peak 10040 from cnoeabs.peaks (1.05, 2.52, 36.47 ppm; 5.27 A): 0 out of 3 assignments used, low quality = 0.38: HG12 ILE 52 - HG3 GLU 95 OK 38 90 - 43 - 3.2/10041=16...(8) HG2 LYS 82 - HG3 GLU 95 lone 5 92 - 5 - 9418/9411=2 HB3 ARG 81 - HG3 GLU 95 lone 3 99 - 3 - Peak 10041 from cnoeabs.peaks (0.78, 2.52, 36.47 ppm; 4.85 A): 3 out of 9 assignments used, quality = 0.62: QG2 ILE 52 + HG3 GLU 95 OK 46 100 - 46 - 3.2/10040=24...(9) QD1 ILE 93 + HG3 GLU 95 OK 16 87 - 18 - 4162/4.8=7, 5.0/4307=6...(4) QG2 ILE 8 + HG3 GLU 95 OK 16 99 - 16 - 3.0/10042=5, 8310/1.8=2...(6) QD2 LEU 42 - HG3 GLU 95 poor 8 77 - 11 - 10599/10040=5, ~11013=1 QD1 LEU 27 - HG3 GLU 95 lone 7 84 - 9 - 2.1/10042=1 QD1 LEU 6 - HG3 GLU 95 lone 5 90 - 6 - 2361/10040=1, ~11013=1 QD2 LEU 57 - HG3 GLU 95 lone 3 81 - 4 - 9343/11015=1 QD1 ILE 76 - HG3 GLU 95 lone 3 61 - 5 - QG2 ILE 7 - HG3 GLU 95 lone 2 70 - 3 - Peak 10042 from cnoeabs.peaks (0.71, 2.52, 36.47 ppm; 4.74 A): 3 out of 9 assignments used, quality = 0.60: QD1 ILE 52 + HG3 GLU 95 OK 33 73 - 45 - 2.1/10040=26...(6) QG1 VAL 58 + HG3 GLU 95 OK 30 92 - 33 - 10716/1.8=7, ~11013=7...(7) QD1 ILE 8 + HG3 GLU 95 OK 14 100 - 14 - 3.0/10041=5, 8308/2.9=2...(4) QD2 LEU 14 - HG3 GLU 95 lone 8 100 - 8 - ~11013=1 QD1 ILE 56 - HG3 GLU 95 lone 5 100 - 5 - HG13 ILE 56 - HG3 GLU 95 lone 4 99 - 4 - QD2 LEU 27 - HG3 GLU 95 lone 3 61 - 5 - 2.1/10041=2 QG2 VAL 78 - HG3 GLU 95 lone 3 90 - 3 - QG1 VAL 5 - HG3 GLU 95 lone 2 73 - 2 - Peak 10047 from cnoeabs.peaks (0.75, 3.10, 40.43 ppm; 4.84 A): 2 out of 12 assignments used, quality = 0.96: QG2 ILE 93 + HB2 PHE 96 OK 89 100 - 89 - 3.2/4325=37, ~4128=26...(19) HG13 ILE 93 + HB2 PHE 96 OK 66 96 - 69 - 4.0/4325=32, 4.6/7484=13...(16) QD1 ILE 93 - HB2 PHE 96 OK 41 65 - 62 - 4.2/4325=31...(10) QD1 LEU 27 - HB2 PHE 96 OK 34 70 - 49 - 8645/3.7=10, 10138=9...(9) HG3 ARG 81 - HB2 PHE 96 OK 25 87 - 29 - ~10051=7, 12216=7...(11) QG1 VAL 54 - HB2 PHE 96 lone 8 92 - 9 - 10058/5.4=1, 10049/1.8=1 QG1 VAL 78 - HB2 PHE 96 lone 8 98 - 8 - 10064/4.2=2, 10049/1.8=1 HG13 ILE 15 - HB2 PHE 96 lone 6 100 - 6 - QD1 ILE 15 - HB2 PHE 96 lone 6 96 - 6 - QD1 LEU 64 - HB2 PHE 96 lone 4 92 - 5 - QD2 LEU 42 - HB2 PHE 96 lone 4 77 - 5 - QD1 LEU 6 - HB2 PHE 96 lone 1 61 - 2 - Peak 10048 from cnoeabs.peaks (0.48, 3.10, 40.43 ppm; 4.52 A): 0 out of 1 assignment used, low quality = 0.22: QD1 LEU 3 - HB2 PHE 96 OK 22 70 - 32 - 8073/3.7=7, 8073/3.7=7...(7) Peak 10049 from cnoeabs.peaks (0.75, 3.47, 40.43 ppm; 4.73 A): 3 out of 12 assignments used, quality = 0.97: QG2 ILE 93 + HB3 PHE 96 OK 86 100 - 86 - 3.2/4128=36, ~4325=25...(17) HG13 ILE 93 + HB3 PHE 96 OK 64 96 - 67 - 4.0/4128=31...(13) QD1 ILE 93 + HB3 PHE 96 OK 37 65 - 57 - 4.2/4128=30, ~12247=11...(9) QD1 LEU 27 - HB3 PHE 96 OK 29 70 - 41 - 8645/3.7=9, 8645/3.7=9...(7) HG3 ARG 81 - HB3 PHE 96 OK 24 87 - 28 - 1.8/10051=8, 12216/1.8=6...(9) QG1 VAL 78 - HB3 PHE 96 lone 8 98 - 8 - 10064/4.2=2, 10047/1.8=1 QG1 VAL 54 - HB3 PHE 96 lone 7 92 - 8 - 10058/5.4=1, 10047/1.8=1 HG13 ILE 15 - HB3 PHE 96 lone 5 100 - 5 - QD1 ILE 15 - HB3 PHE 96 lone 5 96 - 5 - QD1 LEU 64 - HB3 PHE 96 lone 4 92 - 4 - QD2 LEU 42 - HB3 PHE 96 lone 3 77 - 4 - QD1 LEU 6 - HB3 PHE 96 lone 1 61 - 2 - Peak 10050 from cnoeabs.peaks (0.49, 3.47, 40.43 ppm; 4.04 A): 1 out of 1 assignment used, quality = 0.60: QD2 LEU 55 + HB3 PHE 96 OK 60 73 - 82 - 9263=20, 10065/4.2=19...(18) Peak 10051 from cnoeabs.peaks (0.43, 3.47, 40.43 ppm; 5.02 A): 2 out of 2 assignments used, quality = 0.93: QD1 LEU 55 + HB3 PHE 96 OK 91 99 - 92 - 2.1/10050=47...(12) HG2 ARG 81 + HB3 PHE 96 OK 27 100 - 27 - ~12216=8, 2550/9263=5...(7) Peak 10052 from cnoeabs.peaks (0.95, 3.47, 40.43 ppm; 5.90 A): 2 out of 4 assignments used, quality = 0.94: QG2 VAL 5 + HB3 PHE 96 OK 79 100 - 79 - 8177/1.8=27, 8169/3.7=23...(10) HG LEU 55 + HB3 PHE 96 OK 70 77 - 91 - 2.1/10050=50...(8) HB2 ARG 81 - HB3 PHE 96 OK 26 70 - 38 - ~12216=10, 2.9/10051=10...(10) QG2 VAL 83 - HB3 PHE 96 OK 13 81 - 16 - ~10946=6, 9781/5.8=3...(4) Peak 10053 from cnoeabs.peaks (0.93, 7.03, 131.42 ppm; 5.98 A): 2 out of 4 assignments used, quality = 0.51: HB2 ARG 81 + HD1 PHE 96 OK 30 97 - 31 - 10059/2.5=9, 10059/4.9=5...(8) HB2 ARG 81 + HD2 PHE 96 OK 29 97 - 30 - 10059/2.5=7, 10059/4.9=6...(8) QG1 VAL 32 - HD1 PHE 96 lone 2 61 - 3 - QG1 VAL 32 - HD2 PHE 96 lone 2 61 - 3 - Peak 10054 from cnoeabs.peaks (0.73, 7.03, 131.42 ppm; 5.19 A): 4 out of 20 assignments used, quality = 1.00: QD2 LEU 27 + HD1 PHE 96 OK 81 99 - 81 - 8646/2.5=23, 8647=20...(16) QD2 LEU 27 + HD2 PHE 96 OK 80 99 - 80 - 8646/2.5=22, 8647=19...(16) QG1 VAL 5 + HD1 PHE 96 OK 66 97 - 69 - 2.1/8169=25, ~8170=18...(13) QG1 VAL 5 + HD2 PHE 96 OK 65 97 - 68 - 2.1/8169=24, ~8170=17...(13) HG13 ILE 93 - HD1 PHE 96 OK 41 92 - 45 - 3.2/10031=16...(14) HG13 ILE 93 - HD2 PHE 96 OK 41 91 - 45 - 3.2/10031=16...(14) HG3 ARG 81 - HD1 PHE 96 OK 38 98 - 39 - 2.9/10053=13...(10) HG3 ARG 81 - HD2 PHE 96 OK 37 98 - 38 - 2.9/10053=13...(10) QG2 ILE 93 - HD1 PHE 96 OK 31 70 - 44 - 10031=11, 3.2/10004=8...(14) QG2 ILE 93 - HD2 PHE 96 OK 31 69 - 45 - 10031=11, 3.2/10004=8...(14) QG2 VAL 78 - HD1 PHE 96 OK 16 87 - 18 - 8171=3, ~10330=2...(4) QG2 VAL 78 - HD2 PHE 96 OK 15 86 - 17 - 8171=3, 8171/4.3=2...(4) QG1 VAL 78 - HD1 PHE 96 OK 13 87 - 15 - 2.1/8171=3, ~10330=2 QG1 VAL 78 - HD2 PHE 96 OK 12 86 - 14 - 2.1/8171=3, ~10330=2 QD1 LEU 64 - HD1 PHE 96 lone 6 96 - 7 - QD1 LEU 64 - HD2 PHE 96 lone 6 95 - 7 - QG1 VAL 58 - HD1 PHE 96 lone 4 84 - 5 - QG1 VAL 58 - HD2 PHE 96 lone 4 83 - 5 - HG13 ILE 56 - HD1 PHE 96 lone 4 61 - 6 - 9270/9284=1 HG13 ILE 56 - HD2 PHE 96 lone 4 61 - 6 - 9270/9284=1 Peak 10055 from cnoeabs.peaks (0.49, 7.03, 131.42 ppm; 6.26 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10058 from cnoeabs.peaks (0.75, 6.95, 131.21 ppm; 5.62 A): 6 out of 20 assignments used, quality = 0.95: QG2 ILE 93 + HE1 PHE 96 OK 55 91 - 60 - 10031/2.5=20...(14) QG2 ILE 93 + HE2 PHE 96 OK 46 76 - 61 - 10031/2.5=20...(14) HG13 ILE 93 + HE1 PHE 96 OK 37 89 - 42 - ~10031=12, 10049/5.4=7...(14) QD2 LEU 27 + HE1 PHE 96 OK 35 51 - 69 - 2.1/8644=23, ~8645=20...(13) HG13 ILE 93 + HE2 PHE 96 OK 31 74 - 42 - ~10031=12, 10049/5.4=7...(14) HG3 ARG 81 + HE1 PHE 96 OK 29 82 - 36 - ~10053=11, 2.9/10059=8...(8) QG1 VAL 54 - HE1 PHE 96 OK 29 71 - 41 - ~9221=21, 3.2/9220=15...(5) QD2 LEU 27 - HE2 PHE 96 OK 27 40 - 68 - 2.1/8644=22, ~8645=19...(13) QG1 VAL 54 - HE2 PHE 96 OK 24 58 - 41 - ~9221=21, 3.2/9220=15...(6) HG3 ARG 81 - HE2 PHE 96 OK 23 67 - 34 - ~10053=11, 12216/5.4=7...(8) QG1 VAL 78 - HE1 PHE 96 OK 14 91 - 16 - 3.2/10330=4, ~8171=2 QG1 VAL 78 - HE2 PHE 96 OK 11 76 - 15 - 3.2/10330=3, ~8171=2 HG13 ILE 15 - HE1 PHE 96 lone 6 87 - 7 - QD1 ILE 15 - HE1 PHE 96 lone 5 77 - 7 - HG13 ILE 15 - HE2 PHE 96 lone 5 72 - 7 - QD1 LEU 64 - HE1 PHE 96 lone 5 86 - 5 - QD1 ILE 15 - HE2 PHE 96 lone 4 63 - 7 - QD1 LEU 64 - HE2 PHE 96 lone 4 71 - 5 - QD2 LEU 42 - HE1 PHE 96 lone 3 54 - 5 - QD2 LEU 42 - HE2 PHE 96 lone 2 43 - 5 - Peak 10059 from cnoeabs.peaks (0.93, 6.95, 131.21 ppm; 5.89 A): 4 out of 4 assignments used, quality = 0.83: QG2 VAL 5 + HE1 PHE 96 OK 45 65 - 70 - 8169/2.5=15, 8170=15...(14) QG2 VAL 5 + HE2 PHE 96 OK 36 52 - 69 - 8169/2.5=15, 8170=14...(13) HB2 ARG 81 + HE1 PHE 96 OK 33 91 - 36 - 10053/2.5=17...(7) HB2 ARG 81 + HE2 PHE 96 OK 27 77 - 36 - 10053/2.5=17...(6) Peak 10066 from cnoeabs.peaks (0.46, 3.82, 60.49 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.72: QD1 LEU 3 + HA SER 97 OK 72 100 - 72 - 8093=31, 2.1/10067=22...(13) Peak 10067 from cnoeabs.peaks (0.24, 3.82, 60.49 ppm; 4.61 A): 1 out of 1 assignment used, quality = 0.60: QD2 LEU 3 + HA SER 97 OK 60 77 - 77 - 2.1/10066=47, 8090=18...(9) Peak 10068 from cnoeabs.peaks (0.73, 3.82, 60.49 ppm; 3.53 A): 7 out of 10 assignments used, quality = 0.94: QD2 LEU 27 + HA SER 97 OK 73 99 - 73 - 8640=21, 2.1/8641=14...(19) HG13 ILE 93 + HA SER 97 OK 26 92 - 29 - ~10324=7, 3.2/10028=6...(8) QG2 ILE 93 + HA SER 97 OK 25 70 - 36 - ~7565=9, 10324/3.0=7...(11) HG3 ARG 81 + HA SER 97 OK 22 98 - 22 - ~10080=6, ~10075=6...(5) QG1 VAL 78 + HA SER 97 OK 20 87 - 23 - 10904=6, 2.1/10905=5...(8) QG2 VAL 78 + HA SER 97 OK 20 87 - 23 - 2.1/10904=6, 10905=5...(7) QG1 VAL 5 + HA SER 97 OK 14 97 - 15 - 8182=3, 10079/3.0=1...(5) QD1 LEU 64 - HA SER 97 lone 6 96 - 6 - QG1 VAL 58 - HA SER 97 lone 3 84 - 4 - HG13 ILE 56 - HA SER 97 lone 1 61 - 2 - Peak 10069 from cnoeabs.peaks (1.34, 3.82, 60.49 ppm; 4.01 A): 5 out of 11 assignments used, quality = 0.90: HB3 LEU 27 + HA SER 97 OK 70 100 - 70 - 3.1/8640=15, 3.1/8641=13...(18) QB ALA 25 + HA SER 97 OK 39 99 - 40 - 1154=12, 10130/3.0=8...(9) HG2 LYS 94 + HA SER 97 OK 24 99 - 24 - 10063/3.0=4, 10073/3.0=4...(7) QB ALA 67 + HA SER 97 OK 17 98 - 17 - 10073/3.0=2, ~4355=2...(8) HG3 LYS 68 + HA SER 97 OK 14 98 - 14 - 3033=2, 1.8/3022=2...(7) HB2 LYS 82 - HA SER 97 lone 8 100 - 8 - 3.5/10070=1 QB ALA 89 - HA SER 97 lone 7 99 - 7 - 10063/3.0=1 HG2 LYS 39 - HA SER 97 lone 5 100 - 5 - HB3 LEU 2 - HA SER 97 lone 4 92 - 5 - HG LEU 14 - HA SER 97 lone 4 97 - 4 - HG3 LYS 40 - HA SER 97 lone 2 73 - 3 - Peak 10070 from cnoeabs.peaks (1.58, 3.82, 60.49 ppm; 4.01 A): 3 out of 9 assignments used, quality = 0.70: HG2 ARG 19 + HA SER 97 OK 43 96 - 45 - 3.0/10071=10...(10) HB2 LEU 103 + HA SER 97 OK 30 96 - 31 - 4481/3.0=6, 3.0/10115=4...(9) HG LEU 103 + HA SER 97 OK 25 99 - 25 - 3.7/10115=4, 4497/3.0=4...(9) HB3 LEU 29 - HA SER 97 lone 6 61 - 10 - 1.8/8679=2 HD3 LYS 82 - HA SER 97 lone 5 90 - 6 - 3.5/10069=1 HG3 LYS 90 - HA SER 97 lone 4 97 - 4 - HG2 LYS 24 - HA SER 97 lone 3 94 - 4 - HB3 GLU 28 - HA SER 97 lone 3 81 - 4 - ~10062=1 HG3 LYS 12 - HA SER 97 lone 2 70 - 3 - Peak 10071 from cnoeabs.peaks (3.16, 3.82, 60.49 ppm; 5.12 A): 2 out of 2 assignments used, quality = 0.46: HD3 ARG 19 + HA SER 97 OK 26 61 - 43 - 3.0/10070=15, 3.0/818=8...(9) HD2 ARG 19 + HA SER 97 OK 26 61 - 43 - 3.0/10070=15, 3.0/818=8...(9) Peak 10072 from cnoeabs.peaks (1.59, 3.98, 63.02 ppm; 5.17 A): 3 out of 13 assignments used, quality = 0.96: HG LEU 27 + HB3 SER 97 OK 88 99 - 89 - ~8642=28, 2.1/10074=18...(17) HD3 LYS 94 + HB3 SER 97 OK 48 99 - 49 - 4.7/4183=22...(6) HG2 ARG 19 + HB3 SER 97 OK 38 94 - 40 - ~10071=10, 809/3.0=9...(9) HB2 LEU 103 - HB3 SER 97 OK 28 94 - 29 - 4481/4.1=8, ~10115=5...(7) HG LEU 103 - HB3 SER 97 OK 18 87 - 21 - ~10070=6, 4497/4.1=5...(5) HB3 LEU 29 - HB3 SER 97 OK 14 100 - 14 - 8677/3.0=3, 10077/1.8=2...(5) HG3 LYS 12 - HB3 SER 97 lone 7 100 - 7 - 10077/1.8=1, 3.7/4355=1 HB2 ARG 79 - HB3 SER 97 lone 6 98 - 6 - 9693/10075=2, 10077/1.8=1 HB2 ARG 30 - HB3 SER 97 lone 5 94 - 5 - 4177/4183=2 HD2 LYS 66 - HB3 SER 97 lone 4 97 - 4 - HG3 LYS 90 - HB3 SER 97 lone 4 92 - 5 - HG2 LYS 24 - HB3 SER 97 lone 4 96 - 4 - HG3 LYS 73 - HB3 SER 97 lone 4 99 - 4 - Peak 10073 from cnoeabs.peaks (1.33, 3.98, 63.02 ppm; 3.56 A): 4 out of 8 assignments used, quality = 0.73: HB3 LEU 27 + HB3 SER 97 OK 41 70 - 60 - 10078/1.8=12, ~8642=10...(16) HG2 LYS 94 + HB3 SER 97 OK 29 87 - 33 - 3.7/4183=13, 10078/1.8=9...(8) QB ALA 25 + HB3 SER 97 OK 23 87 - 26 - 10078/1.8=7, 1154/3.0=7...(8) QB ALA 67 + HB3 SER 97 OK 15 92 - 16 - 10078/1.8=5, 2.1/4355=4...(6) QB ALA 89 - HB3 SER 97 lone 4 87 - 5 - 10078/1.8=1, 10063/4.1=1 HB3 LEU 2 - HB3 SER 97 lone 4 98 - 4 - 10078/1.8=1 HB2 LYS 82 - HB3 SER 97 lone 2 73 - 3 - HG2 LYS 39 - HB3 SER 97 lone 1 65 - 2 - Peak 10074 from cnoeabs.peaks (0.73, 3.98, 63.02 ppm; 3.62 A): 7 out of 10 assignments used, quality = 0.90: QD2 LEU 27 + HB3 SER 97 OK 67 99 - 68 - ~8642=15, 8643/1.8=13...(16) HG3 ARG 81 + HB3 SER 97 OK 27 98 - 28 - 1.8/10075=10, ~10080=9...(6) HG13 ILE 93 + HB3 SER 97 OK 25 92 - 27 - ~10324=10, 10079/1.8=5...(8) QG2 ILE 93 + HB3 SER 97 OK 17 70 - 25 - 10324/1.8=9, 10028/3.0=4...(7) QG1 VAL 78 + HB3 SER 97 OK 17 87 - 19 - 10904/3.0=4, 10079/1.8=3...(8) QG2 VAL 78 + HB3 SER 97 OK 14 87 - 16 - 10905/3.0=3, ~10904=3...(6) QG1 VAL 5 + HB3 SER 97 OK 10 97 - 11 - 8182/3.0=3, 10079/1.8=2 QD1 LEU 64 - HB3 SER 97 lone 5 96 - 5 - QG1 VAL 58 - HB3 SER 97 lone 3 84 - 4 - HG13 ILE 56 - HB3 SER 97 lone 1 61 - 1 - Peak 10075 from cnoeabs.peaks (0.44, 3.98, 63.02 ppm; 4.84 A): 2 out of 2 assignments used, quality = 0.57: QD1 LEU 55 + HB3 SER 97 OK 35 100 - 35 - 10080/1.8=21, 9277/4.1=8...(5) HG2 ARG 81 + HB3 SER 97 OK 33 94 - 36 - 10080/1.8=22...(4) Peak 10076 from cnoeabs.peaks (0.26, 3.98, 63.02 ppm; 6.03 A): 1 out of 1 assignment used, quality = 0.90: QD2 LEU 3 + HB3 SER 97 OK 90 99 - 90 - 10081/1.8=44, ~10066=40...(8) Peak 10077 from cnoeabs.peaks (1.60, 3.95, 63.02 ppm; 5.00 A): 3 out of 13 assignments used, quality = 0.96: HG LEU 27 + HB2 SER 97 OK 88 100 - 88 - 2.1/8642=26...(16) HD3 LYS 94 + HB2 SER 97 OK 50 100 - 50 - 4.7/4182=24...(7) HG2 ARG 19 + HB2 SER 97 OK 34 90 - 39 - ~10071=9, 809/3.0=8...(9) HB2 LEU 103 - HB2 SER 97 OK 24 90 - 27 - 4481/4.1=7, ~10115=5...(7) HG LEU 103 - HB2 SER 97 OK 15 81 - 19 - ~10070=5, 4497/4.1=4...(5) HB3 LEU 29 - HB2 SER 97 OK 15 100 - 15 - 8677/3.0=3, 10072/1.8=2...(6) HG3 LYS 12 - HB2 SER 97 lone 8 100 - 8 - 3.7/4349=1, 1224/8642=1 HB2 ARG 79 - HB2 SER 97 lone 7 99 - 7 - 9693/10080=2 HB2 ARG 30 - HB2 SER 97 lone 6 97 - 6 - 4177/4182=2 HD2 LYS 66 - HB2 SER 97 lone 4 99 - 4 - 4177/4182=1 HG3 LYS 73 - HB2 SER 97 lone 4 100 - 4 - HG3 LYS 90 - HB2 SER 97 lone 4 87 - 5 - HG2 LYS 24 - HB2 SER 97 lone 3 92 - 4 - Peak 10078 from cnoeabs.peaks (1.32, 3.95, 63.02 ppm; 3.53 A): 4 out of 7 assignments used, quality = 0.69: HB3 LEU 27 + HB2 SER 97 OK 36 61 - 58 - 3.1/8642=13...(15) HG2 LYS 94 + HB2 SER 97 OK 28 81 - 35 - 3.7/4182=16, 10073/1.8=9...(8) QB ALA 25 + HB2 SER 97 OK 22 81 - 27 - 10073/1.8=7, 1154/3.0=6...(7) QB ALA 67 + HB2 SER 97 OK 14 87 - 16 - 10073/1.8=5, 2.1/4349=4...(5) QB ALA 89 - HB2 SER 97 lone 4 81 - 5 - 10073/1.8=1, 10063/4.1=1 HB3 LEU 2 - HB2 SER 97 lone 3 96 - 4 - 10073/1.8=1 HB2 LYS 82 - HB2 SER 97 lone 2 65 - 3 - Peak 10079 from cnoeabs.peaks (0.73, 3.95, 63.02 ppm; 3.65 A): 7 out of 10 assignments used, quality = 0.92: QD2 LEU 27 + HB2 SER 97 OK 69 99 - 69 - 2.1/8642=18...(16) HG3 ARG 81 + HB2 SER 97 OK 29 98 - 29 - 1.8/10080=12, ~10075=8...(6) HG13 ILE 93 + HB2 SER 97 OK 29 92 - 31 - 3.2/10324=14...(8) QG2 ILE 93 + HB2 SER 97 OK 19 70 - 27 - 10324=9, 10028/3.0=4...(8) QG1 VAL 78 + HB2 SER 97 OK 18 87 - 20 - 10904/3.0=4, 10074/1.8=3...(8) QG2 VAL 78 + HB2 SER 97 OK 15 87 - 17 - 10905/3.0=4, ~10904=3...(6) QG1 VAL 5 + HB2 SER 97 OK 11 97 - 12 - 8182/3.0=3, 10074/1.8=2...(4) QD1 LEU 64 - HB2 SER 97 lone 5 96 - 5 - QG1 VAL 58 - HB2 SER 97 lone 4 84 - 4 - HG13 ILE 56 - HB2 SER 97 lone 1 61 - 2 - Peak 10080 from cnoeabs.peaks (0.44, 3.95, 63.02 ppm; 4.61 A): 2 out of 2 assignments used, quality = 0.51: HG2 ARG 81 + HB2 SER 97 OK 30 94 - 32 - 10075/1.8=18...(4) QD1 LEU 55 + HB2 SER 97 OK 29 100 - 29 - 10075/1.8=19, 9277/4.1=7...(4) Peak 10081 from cnoeabs.peaks (0.26, 3.95, 63.02 ppm; 5.85 A): 1 out of 1 assignment used, quality = 0.92: QD2 LEU 3 + HB2 SER 97 OK 92 99 - 92 - 10076/1.8=40, ~10066=38...(11) Peak 10082 from cnoeabs.peaks (7.03, 3.82, 60.49 ppm; 5.42 A): 2 out of 2 assignments used, quality = 0.75: HD2 PHE 96 + HA SER 97 OK 50 100 - 50 - 7573/3.0=22...(9) HD1 PHE 96 + HA SER 97 OK 49 100 - 49 - 7573/3.0=22...(9) Peak 10083 from cnoeabs.peaks (7.02, 3.98, 63.02 ppm; 5.92 A): 2 out of 2 assignments used, quality = 0.55: HD2 PHE 96 + HB3 SER 97 OK 34 81 - 42 - 7573/4.1=16...(5) HD1 PHE 96 + HB3 SER 97 OK 32 77 - 42 - 7573/4.1=16...(5) Peak 10089 from cnoeabs.peaks (0.45, 3.71, 45.30 ppm; 4.70 A): 2 out of 2 assignments used, quality = 0.82: QD1 LEU 3 + HA3 GLY 100 OK 79 94 - 84 - 2.1/10090=37...(7) QD1 LEU 55 + HA3 GLY 100 OK 14 65 - 21 - 10104/3.6=16, 10093/1.8=5 Peak 10090 from cnoeabs.peaks (0.25, 3.71, 45.30 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.84: QD2 LEU 3 + HA3 GLY 100 OK 84 96 - 88 - 2.1/10089=33, 8091=28...(9) Peak 10091 from cnoeabs.peaks (2.01, 3.87, 45.30 ppm; 5.65 A): 10 out of 18 assignments used, quality = 0.87: QE MET 74 + HA2 GLY 100 OK 28 92 - 30 - 10870/1.8=15, 9610=3...(5) HB3 LYS 94 + HA2 GLY 100 OK 27 90 - 30 - 10106/1.8=5, 2.9/4209=3...(11) HB3 LYS 94 + HA2 GLY 101 OK 26 68 - 39 - 4196/1.8=7, ~4184=5...(13) HB2 GLU 62 + HA2 GLY 100 OK 19 99 - 19 - ~10097=5, 10106/1.8=5...(4) HB3 MET 1 + HA2 GLY 101 OK 17 73 - 24 - ~10353=9, 4.2/8031=6...(5) HB3 MET 1 + HA2 GLY 100 OK 17 94 - 18 - 10106/1.8=5...(4) HB3 GLU 44 + HA2 GLY 100 OK 13 90 - 14 - 10106/1.8=4, ~10106=3 HB2 GLU 44 + HA2 GLY 100 OK 13 90 - 14 - 10106/1.8=4, ~10106=3 HB3 GLU 17 + HA2 GLY 100 OK 12 99 - 12 - 10106/1.8=2, ~7624=2...(4) QE MET 74 + HA2 GLY 101 OK 12 70 - 16 - 9608/10170=2...(3) HB2 GLU 35 - HA2 GLY 100 lone 9 99 - 9 - 10106/1.8=3 HB2 GLU 35 - HA2 GLY 101 poor 8 80 - 10 - ~1958=1 HB3 GLU 17 - HA2 GLY 101 lone 8 79 - 9 - 4.0/4446=2, 744/3.6=1 HB2 GLN 50 - HA2 GLY 100 lone 7 87 - 8 - ~7624=2, 10106/1.8=1, 4.6/9108=1 HB2 GLU 44 - HA2 GLY 101 lone 7 68 - 9 - ~10100=3, 3.9/6700=2 HB3 GLU 44 - HA2 GLY 101 lone 7 68 - 9 - ~10100=3, 3.9/6700=2 HB2 GLU 62 - HA2 GLY 101 lone 4 80 - 5 - HB2 GLN 50 - HA2 GLY 101 lone 3 65 - 5 - Peak 10093 from cnoeabs.peaks (0.45, 3.87, 45.30 ppm; 4.65 A): 4 out of 4 assignments used, quality = 0.90: QD1 LEU 3 + HA2 GLY 100 OK 72 84 - 86 - 10089/1.8=33...(10) QD1 LEU 3 + HA2 GLY 101 OK 47 63 - 74 - ~10108=29, 10107/1.8=28...(10) QD1 LEU 55 + HA2 GLY 100 OK 22 81 - 27 - 10104/3.6=18, 10089/1.8=6 QD1 LEU 55 + HA2 GLY 101 OK 19 60 - 32 - 10104/3.0=20, 10107/1.8=11 Peak 10094 from cnoeabs.peaks (0.26, 3.87, 45.30 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.94: QD2 LEU 3 + HA2 GLY 100 OK 86 99 - 87 - 10090/1.8=28...(12) QD2 LEU 3 + HA2 GLY 101 OK 55 80 - 68 - 10108/1.8=31, ~10107=19...(9) Peak 10095 from cnoeabs.peaks (7.04, 3.89, 45.04 ppm; 5.38 A): 2 out of 2 assignments used, quality = 0.56: HD1 PHE 96 + HA3 GLY 101 OK 34 94 - 36 - 2.5/10096=14...(6) HD2 PHE 96 + HA3 GLY 101 OK 33 92 - 36 - 2.5/10096=15...(6) Peak 10096 from cnoeabs.peaks (6.97, 3.89, 45.04 ppm; 5.67 A): 2 out of 4 assignments used, quality = 0.52: HE2 PHE 96 + HA3 GLY 101 OK 32 77 - 42 - 2.5/10095=20...(6) HE1 PHE 96 + HA3 GLY 101 OK 29 70 - 42 - 2.5/10095=20...(6) HD21 ASN 51 - HA3 GLY 101 lone 10 100 - 10 - 8038/10100=1 HD21 ASN 10 - HA3 GLY 101 lone 3 94 - 3 - Peak 10097 from cnoeabs.peaks (4.13, 3.71, 45.30 ppm; 5.44 A): 2 out of 5 assignments used, quality = 0.62: HA GLU 99 + HA3 GLY 100 OK 56 98 - 57 - ~7619=20, ~7613=20...(7) HA GLU 62 + HA3 GLY 100 OK 14 96 - 15 - 7620/2.9=4, 3.0/10106=4...(4) HA GLU 104 - HA3 GLY 100 lone 7 100 - 7 - 7620/2.9=3, ~7549=1, 10098/1.8=1 HA LYS 47 - HA3 GLY 100 lone 6 81 - 8 - 10099/3.6=3, ~6757=2 HA GLU 23 - HA3 GLY 100 lone 2 70 - 3 - 10099/3.6=1 Peak 10098 from cnoeabs.peaks (4.11, 3.87, 45.04 ppm; 5.00 A): 0 out of 8 assignments used, low quality = 0.43: HA GLU 99 - HA2 GLY 100 OK 33 65 - 51 - ~7619=17, ~7613=17...(7) HA GLU 99 - HA2 GLY 101 OK 14 87 - 16 - 3.6/7625=9, ~10103=6 HA GLU 62 - HA2 GLY 100 poor 8 70 - 11 - 7620/2.9=4, ~10106=3...(4) HA GLU 104 - HA2 GLY 100 lone 4 57 - 7 - 7620/2.9=2, 10097/1.8=1 HA LYS 24 - HA2 GLY 101 lone 3 92 - 4 - 4.8/10334=1 HA LYS 24 - HA2 GLY 100 lone 3 70 - 4 - 4.8/10334=1 HA GLU 62 - HA2 GLY 101 lone 2 92 - 2 - HA GLU 104 - HA2 GLY 101 lone 2 77 - 3 - Peak 10100 from cnoeabs.peaks (1.99, 3.89, 45.04 ppm; 5.40 A): 5 out of 9 assignments used, quality = 0.84: HB2 ARG 46 + HA3 GLY 101 OK 59 84 - 71 - ~2077=11, 2067/3.0=10...(20) QE MET 1 + HA3 GLY 101 OK 37 90 - 42 - 8026/10108=15...(7) HB3 MET 1 + HA3 GLY 101 OK 18 77 - 23 - 3.0/10353=10...(4) HB3 GLU 44 + HA3 GLY 101 OK 13 84 - 15 - 4.7/11029=9, 3.9/6705=2 HB2 GLU 44 + HA3 GLY 101 OK 13 84 - 15 - 4.7/11029=9, 3.9/6705=2 HB2 GLU 37 - HA3 GLY 101 poor 10 92 - 10 - ~7631=2, 4.1/8821=2...(4) HB2 LYS 47 - HA3 GLY 101 poor 9 61 - 15 - ~10099=5, 4.0/6757=3...(4) QE MET 74 - HA3 GLY 101 lone 7 81 - 9 - 9610/1.8=1, 8101/10108=1 HB3 GLU 17 - HA3 GLY 101 poor 6 61 - 10 - 4.0/4450=5, 8101/10108=1 Peak 10101 from cnoeabs.peaks (1.55, 3.89, 45.04 ppm; 5.64 A): 2 out of 9 assignments used, quality = 0.91: HB2 LEU 3 + HA3 GLY 101 OK 81 98 - 83 - 3.1/10108=44...(12) HD3 LYS 53 + HA3 GLY 101 OK 54 99 - 55 - 3.0/12004=14...(14) HG2 LYS 33 - HA3 GLY 101 lone 6 100 - 6 - 4.9/8763=2 HD3 LYS 82 - HA3 GLY 101 lone 5 61 - 9 - 126/10108=3, 134/10107=2 HG3 ARG 79 - HA3 GLY 101 lone 3 87 - 4 - HG2 ARG 79 - HA3 GLY 101 lone 3 84 - 4 - HB3 GLU 28 - HA3 GLY 101 lone 3 73 - 4 - 126/10108=1 HG12 ILE 56 - HA3 GLY 101 lone 2 73 - 3 - HG3 ARG 30 - HA3 GLY 101 lone 2 70 - 2 - Peak 10102 from cnoeabs.peaks (1.48, 3.89, 45.04 ppm; 5.30 A): 5 out of 17 assignments used, quality = 0.80: HG3 LYS 53 + HA3 GLY 101 OK 38 97 - 39 - 3.9/12004=11...(6) HG2 LYS 53 + HA3 GLY 101 OK 34 87 - 40 - 3.9/12004=11...(6) HD2 LYS 53 + HA3 GLY 101 OK 34 73 - 46 - 1.8/10101=12...(8) HB2 ARG 91 + HA3 GLY 101 OK 19 90 - 21 - 4.3/7456=3, ~1958=3...(10) HD3 LYS 40 + HA3 GLY 101 OK 10 92 - 11 - 8113/10108=1, ~1807=1 HD2 LYS 40 - HA3 GLY 101 poor 10 90 - 11 - 8113/10108=1, ~1807=1 HG2 LYS 47 - HA3 GLY 101 poor 8 73 - 10 - 4.9/6757=3, 3.0/10100=2 HG LEU 38 - HA3 GLY 101 lone 7 73 - 9 - HG13 ILE 52 - HA3 GLY 101 lone 4 65 - 7 - ~9151=2 HD2 LYS 82 - HA3 GLY 101 lone 4 73 - 6 - 8113/10108=1, 1.8/10101=1 HB2 LEU 27 - HA3 GLY 101 lone 3 65 - 5 - 8113/10108=2 HG2 LYS 66 - HA3 GLY 101 lone 3 73 - 4 - HG2 LYS 20 - HA3 GLY 101 lone 3 65 - 5 - 9191/10108=1 HG3 LYS 66 - HA3 GLY 101 lone 3 65 - 4 - HG LEU 64 - HA3 GLY 101 lone 3 99 - 2 - HB3 LEU 64 - HA3 GLY 101 lone 2 77 - 2 - HG2 LYS 73 - HA3 GLY 101 lone 2 70 - 2 - Peak 10106 from cnoeabs.peaks (2.01, 3.71, 45.30 ppm; 6.33 A): 8 out of 9 assignments used, quality = 0.83: QE MET 74 + HA3 GLY 100 OK 25 87 - 29 - 10870=11, 10091/1.8=6...(7) HB3 MET 1 + HA3 GLY 100 OK 24 90 - 27 - 8014/10090=11...(3) HB3 LYS 94 + HA3 GLY 100 OK 23 94 - 25 - 10091/1.8=5, ~4209=3...(8) HB2 GLU 62 + HA3 GLY 100 OK 23 100 - 23 - 3.0/10097=7, ~10098=4...(4) HB3 GLU 44 + HA3 GLY 100 OK 18 84 - 21 - 3.9/6703=6, 4.7/6719=5...(5) HB2 GLU 44 + HA3 GLY 100 OK 18 84 - 21 - 3.9/6703=6, 4.7/6719=5...(5) HB2 GLU 35 + HA3 GLY 100 OK 14 98 - 15 - 4.7/8795=6, 10091/1.8=2 HB3 GLU 17 + HA3 GLY 100 OK 12 97 - 12 - ~7624=3, 10091/1.8=2, ~4434=2 HB2 GLN 50 - HA3 GLY 100 lone 7 92 - 8 - ~7624=2, 10091/1.8=2 Peak 10107 from cnoeabs.peaks (0.45, 3.89, 45.04 ppm; 4.72 A): 2 out of 2 assignments used, quality = 0.72: QD1 LEU 3 + HA3 GLY 101 OK 63 84 - 75 - 2.1/10108=41, ~10105=16...(13) QD1 LEU 55 + HA3 GLY 101 OK 25 81 - 31 - 10104/3.0=21...(5) Peak 10108 from cnoeabs.peaks (0.25, 3.89, 45.04 ppm; 4.44 A): 1 out of 1 assignment used, quality = 0.62: QD2 LEU 3 + HA3 GLY 101 OK 62 96 - 65 - 2.1/10107=24...(15) Peak 10109 from cnoeabs.peaks (0.45, 3.81, 63.54 ppm; 5.34 A): 0 out of 2 assignments used, low quality = 0.38: QD1 LEU 3 - HB3 SER 102 OK 28 84 - 33 - ~10114=15, 12307/4.0=9...(6) QD1 LEU 55 - HB3 SER 102 OK 14 81 - 17 - 10110/1.8=15 Peak 10110 from cnoeabs.peaks (0.44, 3.89, 63.54 ppm; 5.92 A): 0 out of 2 assignments used, low quality = 0.40: HG2 ARG 81 - HB2 SER 102 OK 24 77 - 31 - ~11090=15, ~3611=3...(8) QD1 LEU 55 - HB2 SER 102 OK 20 97 - 21 - 10109/1.8=15, 10104/7633=2 Peak 10114 from cnoeabs.peaks (1.55, 4.38, 58.19 ppm; 5.09 A): 0 out of 7 assignments used, low quality = 0.27: HB2 LEU 3 - HA SER 102 OK 27 100 - 27 - ~10109=12, ~12307=8...(5) HD3 LYS 53 - HA SER 102 lone 3 100 - 3 - 10101/4453=1 HD3 LYS 82 - HA SER 102 lone 2 84 - 2 - HG2 LYS 33 - HA SER 102 lone 1 99 - 1 - HB3 GLU 28 - HA SER 102 lone 1 92 - 1 - HG3 ARG 79 - HA SER 102 lone 1 65 - 2 - HG2 ARG 79 - HA SER 102 lone 1 61 - 2 - Peak 10115 from cnoeabs.peaks (3.82, 4.30, 55.01 ppm; 5.63 A): 5 out of 5 assignments used, quality = 0.91: HB3 SER 102 + HA LEU 103 OK 59 84 - 71 - ~7645=31, ~4455=29...(4) HA SER 97 + HA LEU 103 OK 50 97 - 51 - 10070/3.0=11, 3.0/4473=9...(10) HA ALA 22 + HA LEU 103 OK 34 100 - 34 - 2.1/10452=13...(6) HA LYS 68 + HA LEU 103 OK 28 65 - 43 - 3.6/7118=9, 7647/3.0=7...(9) HA ARG 19 + HA LEU 103 OK 12 81 - 14 - 7647/3.0=3, 8677/8676=1...(4) Peak 10118 from cnoeabs.peaks (0.89, 0.75, 29.43 ppm; 4.44 A): 3 out of 4 assignments used, quality = 0.90: HG13 ILE 7 + HG13 ILE 15 OK 75 98 - 77 - 2.1/8470=33, ~8469=18...(20) QD1 LEU 2 + HG13 ILE 15 OK 45 99 - 46 - 2.1/672=5, 86/1.8=5...(20) QG2 ILE 76 + HG13 ILE 15 OK 28 99 - 28 - 3431/3.2=3, 3.2/672=3...(12) HG13 ILE 8 - HG13 ILE 15 lone 9 100 - 9 - 278/8470=2, 8322/8444=1 Peak 10120 from cnoeabs.peaks (3.18, 0.81, 17.32 ppm; 4.37 A): 4 out of 5 assignments used, quality = 0.73: HD3 ARG 19 + QG2 ILE 15 OK 37 98 - 38 - 6.3/10415=10...(9) HD2 ARG 19 + QG2 ILE 15 OK 37 98 - 38 - 6.3/10415=10...(9) HD3 ARG 46 + QG2 ILE 15 OK 18 90 - 21 - 6.3/660=4, 2113/4.4=3...(6) HB3 TRP 92 + QG2 ILE 15 OK 16 84 - 19 - 9991=4, 3.9/14636=3...(7) HB2 HIS 106 - QG2 ILE 15 lone 3 100 - 2 - Peak 10121 from cnoeabs.peaks (3.85, 0.81, 17.32 ppm; 4.06 A): 7 out of 8 assignments used, quality = 0.93: HA LYS 12 + QG2 ILE 15 OK 69 99 - 71 - 392/2.1=29, 8381/3.0=13...(17) HA ALA 71 + QG2 ILE 15 OK 35 99 - 36 - 4.9/10122=7, 644/2.1=5...(13) HB3 SER 49 + QG2 ILE 15 OK 29 97 - 30 - ~8447=5, 644/2.1=5...(11) HA2 GLY 101 + QG2 ILE 15 OK 27 73 - 37 - 3.0/660=8, 644/2.1=6...(12) HA ALA 67 + QG2 ILE 15 OK 14 99 - 14 - 644/2.1=2, 6206/4.0=2...(5) HA LYS 40 + QG2 ILE 15 OK 14 77 - 17 - 644/2.1=3, 6206/4.0=3...(4) HA2 GLY 100 + QG2 ILE 15 OK 11 73 - 15 - 3.6/660=7, 644/2.1=2...(5) HA LYS 94 - QG2 ILE 15 poor 9 73 - 12 - 644/2.1=2, 8446/3.0=2 Peak 10122 from cnoeabs.peaks (4.03, 0.81, 17.32 ppm; 4.18 A): 2 out of 4 assignments used, quality = 0.67: HA GLU 16 + QG2 ILE 15 OK 50 81 - 62 - 3.0/660=18, ~6231=11...(14) HA LEU 70 + QG2 ILE 15 OK 35 90 - 39 - 3.0/655=5, 3.0/3139=5...(15) HB3 SER 59 - QG2 ILE 15 lone 7 98 - 7 - 4.6/9419=2, 4.0/9396=2 HA GLU 95 - QG2 ILE 15 lone 4 96 - 4 - Peak 10123 from cnoeabs.peaks (1.14, 0.81, 17.32 ppm; 2.87 A): 2 out of 3 assignments used, quality = 0.46: QG2 THR 31 + QG2 ILE 15 OK 34 99 - 34 - 8467/3.0=9, 10142/3.2=7...(8) HG3 LYS 82 + QG2 ILE 15 OK 19 100 - 19 - 8463/3.2=5, 8467/3.0=5...(5) HB3 LEU 3 - QG2 ILE 15 lone 5 81 - 7 - 8467/3.0=2, 4.0/6022=1 Peak 10124 from cnoeabs.peaks (3.88, 0.88, 24.80 ppm; 5.13 A): 6 out of 10 assignments used, quality = 0.86: HA GLU 43 + QD1 LEU 2 OK 40 99 - 41 - 3.7/8055=17, ~10608=8...(7) HA GLU 35 + QD1 LEU 2 OK 39 94 - 42 - 3.0/8053=7, 4.1/8054=6...(11) HA LEU 38 + QD1 LEU 2 OK 27 99 - 28 - 3.0/12039=4, 3.7/12039=4...(9) HA LYS 94 + QD1 LEU 2 OK 26 87 - 30 - ~8057=7, 3.0/8053=5...(9) HA LYS 40 + QD1 LEU 2 OK 16 84 - 20 - 3.6/8868=3, 10125/2.1=2...(4) HA ARG 91 + QD1 LEU 2 OK 15 92 - 17 - 10125/2.1=3, 4.0/12039=2...(6) HA2 GLY 101 - QD1 LEU 2 lone 5 87 - 6 - HA3 GLY 101 - QD1 LEU 2 lone 4 77 - 5 - 10125/2.1=1 HA2 GLY 100 - QD1 LEU 2 lone 4 87 - 5 - HB2 SER 102 - QD1 LEU 2 lone 3 73 - 4 - 4.5/7653=1 Peak 10125 from cnoeabs.peaks (3.88, 0.81, 23.49 ppm; 6.25 A): 7 out of 11 assignments used, quality = 0.93: HA GLU 35 + QD2 LEU 2 OK 49 99 - 50 - 10124/2.1=10...(12) HA GLU 43 + QD2 LEU 2 OK 46 100 - 46 - 3.0/10608=12...(7) HA LEU 38 + QD2 LEU 2 OK 31 94 - 33 - 10124/2.1=7, 3.0/12040=5...(9) HA LYS 94 + QD2 LEU 2 OK 29 70 - 42 - 3.0/8057=11, 10124/2.1=7...(10) HA ARG 91 + QD2 LEU 2 OK 23 99 - 23 - 10124/2.1=4, ~10991=2...(6) HA ALA 89 + QD2 LEU 2 OK 18 65 - 27 - 3.0/9926=6, 2.1/79=3...(9) HA LYS 40 + QD2 LEU 2 OK 13 65 - 20 - 10124/2.1=4, 5.2/12040=2 HA3 GLY 101 - QD2 LEU 2 lone 9 92 - 10 - 10124/2.1=1, ~10124=1 HB2 SER 102 - QD2 LEU 2 lone 5 90 - 6 - 4.5/7652=2 HA2 GLY 101 - QD2 LEU 2 lone 5 70 - 7 - 10124/2.1=1 HA2 GLY 100 - QD2 LEU 2 lone 4 70 - 6 - 10124/2.1=1 Peak 10127 from cnoeabs.peaks (6.98, 0.88, 24.80 ppm; 6.19 A): 1 out of 5 assignments used, quality = 0.70: HD21 ASN 51 + QD1 LEU 2 OK 70 100 - 70 - 10128/2.1=22, ~9125=15...(9) HE ARG 91 - QD1 LEU 2 poor 6 61 - 10 - 6.0/10124=2, 4.0/12039=2...(4) HE2 PHE 96 - QD1 LEU 2 lone 5 65 - 8 - 10128/2.1=3 HD21 ASN 10 - QD1 LEU 2 lone 5 98 - 5 - HE1 PHE 96 - QD1 LEU 2 lone 4 57 - 8 - 10128/2.1=3 Peak 10128 from cnoeabs.peaks (6.96, 0.81, 23.49 ppm; 5.44 A): 1 out of 4 assignments used, quality = 0.48: HD21 ASN 51 + QD2 LEU 2 OK 48 81 - 59 - 10127/2.1=15...(9) HE2 PHE 96 - QD2 LEU 2 lone 7 99 - 7 - 10127/2.1=1, 14678/2.1=1 HE1 PHE 96 - QD2 LEU 2 lone 7 98 - 7 - 14678/2.1=1 HD21 ASN 10 - QD2 LEU 2 lone 2 57 - 3 - 10127/2.1=1 Peak 10130 from cnoeabs.peaks (3.97, 1.34, 18.52 ppm; 3.35 A): 4 out of 4 assignments used, quality = 0.59: HD3 PRO 86 + QB ALA 25 OK 24 92 - 26 - 10131/2.1=5, 3.0/8624=5...(11) HD2 PRO 86 + QB ALA 25 OK 23 90 - 26 - 10131/2.1=5, 3.0/8624=5...(11) HB2 SER 97 + QB ALA 25 OK 17 70 - 25 - 3.0/1154=8, 1.8/10073=5...(10) HB3 SER 97 + QB ALA 25 OK 15 65 - 23 - 3.0/1154=8, 1.8/10078=4...(7) Peak 10131 from cnoeabs.peaks (3.97, 4.41, 51.21 ppm; 5.29 A): 3 out of 3 assignments used, quality = 0.84: HD3 PRO 86 + HA ALA 25 OK 51 99 - 52 - 10130/2.1=15, ~10130=13...(10) HD2 PRO 86 + HA ALA 25 OK 50 98 - 51 - 10130/2.1=14, ~10130=13...(10) HB3 SER 97 + HA ALA 25 OK 35 84 - 41 - ~1154=10, ~10130=9...(6) Peak 10132 from cnoeabs.peaks (1.56, 0.73, 25.25 ppm; 3.22 A): 4 out of 5 assignments used, quality = 0.89: HB2 LEU 3 + QD2 LEU 27 OK 72 99 - 73 - 3.1/10136=19, 8108=15...(18) HD3 LYS 82 + QD2 LEU 27 OK 40 96 - 42 - 2.9/10133=6, 1.8/1214=4...(20) HB3 GLU 28 + QD2 LEU 27 OK 20 99 - 20 - 8658/4.0=9, 1242/4.7=8, ~8661=2 HD3 LYS 53 + QD2 LEU 27 OK 17 98 - 18 - 126/10136=3, 1.8/1214=2...(8) HG2 LYS 33 - QD2 LEU 27 lone 2 92 - 2 - Peak 10133 from cnoeabs.peaks (1.14, 0.73, 25.25 ppm; 3.59 A): 4 out of 5 assignments used, quality = 0.92: HB3 LEU 3 + QD2 LEU 27 OK 74 98 - 76 - 3.1/10136=24...(19) HG3 LYS 82 + QD2 LEU 27 OK 48 98 - 50 - 9762/2.1=8, 2.9/10132=8...(23) HG2 LYS 40 + QD2 LEU 27 OK 26 81 - 32 - 10134/2.1=5, 10482/3.1=3...(12) HB2 LEU 29 + QD2 LEU 27 OK 20 73 - 28 - 10134/2.1=4, 1.8/1216=4...(10) QG2 THR 31 - QD2 LEU 27 lone 7 100 - 7 - 10134/2.1=1 Peak 10134 from cnoeabs.peaks (1.15, 0.77, 26.59 ppm; 4.19 A): 3 out of 5 assignments used, quality = 0.97: HB3 LEU 3 + QD1 LEU 27 OK 88 100 - 88 - 3.1/10137=28...(22) HG3 LYS 82 + QD1 LEU 27 OK 55 90 - 62 - 10133/2.1=11, 9762=11...(25) HG2 LYS 40 + QD1 LEU 27 OK 40 94 - 42 - 10133/2.1=6, 10482/3.1=5...(18) HB2 LEU 29 - QD1 LEU 27 OK 35 90 - 39 - 10133/2.1=5, 1.8/1224=5...(18) QG2 THR 31 - QD1 LEU 27 lone 9 96 - 9 - 10133/2.1=2, 10515/4.7=1 Peak 10135 from cnoeabs.peaks (0.26, 0.77, 26.59 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.94: QD2 LEU 3 + QD1 LEU 27 OK 94 100 - 94 - 10136/2.1=48...(23) Peak 10136 from cnoeabs.peaks (0.26, 0.73, 25.25 ppm; 3.88 A): 1 out of 1 assignment used, quality = 0.82: QD2 LEU 3 + QD2 LEU 27 OK 82 100 - 82 - 10135/2.1=22, ~10137=19...(20) Peak 10137 from cnoeabs.peaks (0.47, 0.77, 26.59 ppm; 4.36 A): 1 out of 1 assignment used, quality = 0.90: QD1 LEU 3 + QD1 LEU 27 OK 90 100 - 91 - 2.1/10135=30, ~10136=27...(26) Peak 10138 from cnoeabs.peaks (3.10, 0.77, 26.59 ppm; 5.57 A): 3 out of 3 assignments used, quality = 0.85: HB2 PHE 96 + QD1 LEU 27 OK 71 100 - 71 - 3.7/8645=23, 3.7/8645=21...(12) HD3 ARG 30 + QD1 LEU 27 OK 39 87 - 44 - 2.9/1227=6, 3.0/8721=6...(14) HB2 TRP 92 + QD1 LEU 27 OK 16 99 - 16 - 4.5/7497=4, ~10995=2...(4) Peak 10139 from cnoeabs.peaks (3.08, 0.73, 25.25 ppm; 5.01 A): 4 out of 6 assignments used, quality = 0.88: HD3 ARG 79 + QD2 LEU 27 OK 43 99 - 43 - 12330/4.0=10, 3.8/1216=5...(14) HD2 ARG 79 + QD2 LEU 27 OK 43 98 - 44 - 12330/4.0=10, 3.8/1216=5...(14) HB3 ASN 26 + QD2 LEU 27 OK 39 90 - 44 - 4.7/1212=22, 8631/2.1=7...(7) HD3 ARG 30 + QD2 LEU 27 OK 39 98 - 39 - 2.9/1219=6, 1367/2.1=4...(13) HB3 HIS 105 - QD2 LEU 27 lone 1 84 - 2 - HB3 ASN 60 - QD2 LEU 27 lone 1 61 - 2 - Peak 10140 from cnoeabs.peaks (3.52, 0.77, 26.59 ppm; 6.50 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10141 from cnoeabs.peaks (1.55, 0.65, 26.64 ppm; 3.91 A): 4 out of 9 assignments used, quality = 0.69: HB2 LEU 3 + QD1 LEU 29 OK 37 98 - 38 - 1.8/1305=8, 4.4/8134=5...(12) HB3 GLU 28 + QD1 LEU 29 OK 26 73 - 35 - 4.6/6472=9, 1.8/10499=7...(8) HG3 ARG 30 + QD1 LEU 29 OK 22 70 - 31 - 4.9/1310=14, 2.9/1306=4...(10) HD3 LYS 53 + QD1 LEU 29 OK 14 99 - 14 - 3.6/8671=3, 5.3/9200=3...(4) HG3 ARG 79 - QD1 LEU 29 poor 9 87 - 10 - 4.7/12049=2, 6486/4.6=2 HG2 ARG 79 - QD1 LEU 29 poor 9 84 - 10 - 4.7/12049=2, 6486/4.6=2 HD3 LYS 82 - QD1 LEU 29 poor 7 61 - 12 - 2.9/9763=3, 3713/4.6=1...(5) HG2 LYS 33 - QD1 LEU 29 lone 6 100 - 6 - 10522/3.1=2 HG12 ILE 56 - QD1 LEU 29 lone 5 73 - 6 - Peak 10142 from cnoeabs.peaks (3.26, 1.14, 22.10 ppm; 5.36 A): 1 out of 1 assignment used, quality = 0.74: HA ILE 15 + QG2 THR 31 OK 74 98 - 76 - 3.2/10123=28, 8455=20...(13) Peak 10143 from cnoeabs.peaks (3.16, 1.14, 22.10 ppm; 6.50 A): 0 out of 2 assignments used, low quality = 0.40: HD3 ARG 19 - QG2 THR 31 OK 23 73 - 31 - 3.6/8734=11, 1.8/8524=10...(6) HD2 ARG 19 - QG2 THR 31 OK 23 73 - 31 - 3.6/8734=11, 1.8/8524=10...(6) Peak 10144 from cnoeabs.peaks (2.11, 4.41, 60.95 ppm; 4.19 A): 3 out of 9 assignments used, quality = 0.88: HG3 GLU 37 + HA VAL 32 OK 74 100 - 75 - 8849/3.2=20, 8827=14...(15) HB3 GLU 37 + HA VAL 32 OK 43 61 - 70 - ~8836=14, 3.0/8827=11...(16) QE MET 21 + HA VAL 32 OK 19 96 - 20 - 994=5, 10155/3.2=3...(7) HB3 PRO 86 - HA VAL 32 lone 10 100 - 10 - 10155/3.2=2, 10156/3.2=2...(4) HB3 GLU 62 - HA VAL 32 poor 9 65 - 13 - 10156/3.2=3, 10155/3.2=3...(6) HB VAL 83 - HA VAL 32 lone 8 98 - 8 - 8747/3.6=2, 10155/3.2=1 HB2 PRO 86 - HA VAL 32 lone 7 84 - 9 - ~10156=2, ~10158=2...(4) HB2 LEU 64 - HA VAL 32 lone 6 98 - 6 - ~2808=1 HG3 GLU 104 - HA VAL 32 lone 4 94 - 5 - 10155/3.2=1 Peak 10145 from cnoeabs.peaks (1.50, 4.41, 60.95 ppm; 4.44 A): 8 out of 14 assignments used, quality = 0.87: HG3 LYS 33 + HA VAL 32 OK 42 100 - 42 - 4.9/1394=21...(5) HG LEU 57 + HA VAL 32 OK 34 100 - 34 - 2.1/1393=7, 2631/3.2=6...(12) HB ILE 7 + HA VAL 32 OK 22 65 - 33 - 2.9/1392=7, 10146/3.0=5...(10) HG3 LYS 66 + HA VAL 32 OK 17 90 - 19 - ~2895=3, ~2907=3...(7) HG3 LYS 24 + HA VAL 32 OK 17 99 - 17 - 1457/3.6=3, 8595=3...(4) HG2 LYS 66 + HA VAL 32 OK 16 84 - 19 - ~2895=3, ~2907=3...(7) HB3 LEU 103 + HA VAL 32 OK 15 61 - 25 - ~8945=6, 3.1/1393=4...(10) HB2 LEU 14 + HA VAL 32 OK 14 65 - 22 - ~8942=4, ~10518=3...(10) HG2 LYS 73 - HA VAL 32 lone 8 87 - 9 - 2.9/1391=1, 2.9/1391=1 HG3 LYS 13 - HA VAL 32 lone 6 97 - 7 - 6523/3.6=3, 6535/10149=1 HG LEU 2 - HA VAL 32 lone 6 90 - 6 - 10146/3.0=1 HB3 LEU 64 - HA VAL 32 lone 5 81 - 7 - ~2808=2, 1.8/10144=1 HG2 LYS 47 - HA VAL 32 lone 5 84 - 6 - 6523/3.6=1 HB2 ARG 91 - HA VAL 32 lone 3 65 - 4 - Peak 10149 from cnoeabs.peaks (7.24, 4.41, 60.95 ppm; 4.27 A): 2 out of 2 assignments used, quality = 0.77: H THR 34 + HA VAL 32 OK 71 100 - 72 - 8749/3.2=34, 6528/3.6=29...(10) HH2 TRP 92 + HA VAL 32 OK 19 99 - 19 - 6528/3.6=8, 8938/3.2=7...(4) Peak 10150 from cnoeabs.peaks (6.84, 4.41, 60.95 ppm; 4.24 A): 4 out of 5 assignments used, quality = 0.89: HD1 TYR 41 + HA VAL 32 OK 48 92 - 52 - 10152/3.2=15...(10) HD2 TYR 41 + HA VAL 32 OK 45 84 - 53 - 10152/3.2=14...(11) HE2 TYR 41 + HA VAL 32 OK 39 77 - 51 - ~8939=9, 10152/3.2=7...(13) HE1 TYR 41 + HA VAL 32 OK 35 70 - 50 - ~8939=9, ~10152=8...(13) HE21 GLN 72 - HA VAL 32 lone 2 81 - 3 - Peak 10152 from cnoeabs.peaks (6.83, 0.83, 22.02 ppm; 3.25 A): 3 out of 4 assignments used, quality = 0.71: HD1 TYR 41 + QG2 VAL 32 OK 41 98 - 41 - 8939/2.1=11, 2.5/8910=7...(13) HD2 TYR 41 + QG2 VAL 32 OK 39 94 - 41 - 8939/2.1=11, 2.5/8910=7...(13) HE2 TYR 41 + QG2 VAL 32 OK 20 61 - 32 - ~8939=7, ~14619=5...(12) HE21 GLN 72 - QG2 VAL 32 lone 1 65 - 1 - Peak 10153 from cnoeabs.peaks (7.80, 1.94, 34.49 ppm; 5.58 A): 3 out of 6 assignments used, quality = 0.74: H SER 9 + HB VAL 32 OK 55 94 - 58 - 3.6/12055=29...(11) H LYS 66 + HB VAL 32 OK 29 100 - 29 - 4.7/1395=9, 7077/3.9=8...(4) H LYS 20 + HB VAL 32 OK 19 92 - 21 - 4.5/6325=2, 4.9/896=2...(8) H GLU 28 - HB VAL 32 lone 9 99 - 9 - 6459/8270=2 HE ARG 30 - HB VAL 32 lone 5 84 - 6 - 5.0/10338=3 H GLU 99 - HB VAL 32 lone 4 96 - 4 - Peak 10154 from cnoeabs.peaks (5.47, 0.83, 22.02 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.69: HA LEU 6 + QG2 VAL 32 OK 69 100 - 69 - 10230=19, 3.0/10337=19...(14) Peak 10155 from cnoeabs.peaks (2.10, 0.83, 22.02 ppm; 4.14 A): 6 out of 10 assignments used, quality = 0.82: HG3 GLU 37 + QG2 VAL 32 OK 59 84 - 71 - 10156/2.1=19, ~8836=13...(17) QE MET 21 + QG2 VAL 32 OK 20 100 - 20 - 10156/2.1=5, 10158/2.1=4...(5) HB3 GLU 62 + QG2 VAL 32 OK 18 96 - 19 - 10156/2.1=6, 10158/2.1=4...(6) HB3 GLU 35 + QG2 VAL 32 OK 14 73 - 19 - 4.0/8775=6, 3.0/10162=4...(4) HB3 PRO 86 + QG2 VAL 32 OK 12 96 - 13 - 10156/2.1=3, 10158/2.1=2...(4) HB3 GLU 88 + QG2 VAL 32 OK 12 61 - 19 - 10158/2.1=5, 10156/2.1=4...(8) HB VAL 83 - QG2 VAL 32 poor 8 73 - 11 - 8747/4.1=2, 4.0/9801=1...(4) HB2 GLU 23 - QG2 VAL 32 lone 7 92 - 8 - 10156/2.1=2, 10158/2.1=2 HG3 GLU 104 - QG2 VAL 32 lone 7 100 - 7 - 10156/2.1=2, 10158/2.1=1 HB2 LEU 64 - QG2 VAL 32 lone 4 73 - 5 - Peak 10156 from cnoeabs.peaks (2.09, 0.91, 23.40 ppm; 3.26 A): 3 out of 9 assignments used, quality = 0.59: HG3 GLU 37 + QG1 VAL 32 OK 45 70 - 65 - 3.0/8836=15, 3.0/8839=14...(16) HB3 GLU 62 + QG1 VAL 32 OK 14 99 - 14 - 2.9/10157=3, 2.9/10157=3...(4) QE MET 21 + QG1 VAL 32 OK 13 98 - 13 - 10158/2.1=3, 10155/2.1=3 HB3 GLU 88 - QG1 VAL 32 poor 9 77 - 12 - 10158/2.1=4, 3.0/1403=2 HB3 GLU 35 - QG1 VAL 32 lone 8 87 - 9 - 10158/2.1=2, 10155/2.1=2 HB3 PRO 86 - QG1 VAL 32 lone 7 87 - 9 - 10158/2.1=2, 10155/2.1=2 HB2 GLU 23 - QG1 VAL 32 lone 6 98 - 6 - 10158/2.1=2 HG3 GLU 104 - QG1 VAL 32 lone 4 99 - 4 - HB2 GLU 16 - QG1 VAL 32 lone 1 70 - 2 - Peak 10157 from cnoeabs.peaks (2.26, 0.91, 23.40 ppm; 4.43 A): 3 out of 6 assignments used, quality = 0.95: HG2 GLU 37 + QG1 VAL 32 OK 89 100 - 89 - 1.8/8849=29, 3.0/8836=25...(20) HG2 GLU 62 + QG1 VAL 32 OK 33 100 - 34 - 2.9/10156=5, 8748/4.1=4...(15) HG3 GLU 62 + QG1 VAL 32 OK 33 100 - 34 - 2.9/10156=5, 8748/4.1=4...(15) HG2 GLU 23 - QG1 VAL 32 poor 10 92 - 11 - 2.9/10156=2, ~10158=1 HG2 GLU 95 - QG1 VAL 32 lone 8 90 - 9 - 8754/8749=2, 8748/4.1=2 HG2 GLU 17 - QG1 VAL 32 lone 5 73 - 7 - 3.0/1403=1 Peak 10158 from cnoeabs.peaks (2.09, 1.94, 34.49 ppm; 4.01 A): 5 out of 9 assignments used, quality = 0.62: HB3 LEU 38 + HB VAL 32 OK 29 77 - 38 - ~10162=8, ~8944=7...(11) HB3 GLU 88 + HB VAL 32 OK 18 92 - 20 - 10156/2.1=4, 3884=3...(10) QE MET 21 + HB VAL 32 OK 15 90 - 17 - 10156/2.1=5, 10155/2.1=4...(4) HB3 GLU 62 + HB VAL 32 OK 14 100 - 14 - 10156/2.1=5, 10155/2.1=3...(4) HB3 GLU 35 + HB VAL 32 OK 10 97 - 11 - 10156/2.1=3, 10155/2.1=3...(4) HB3 PRO 86 - HB VAL 32 poor 8 70 - 12 - 10156/2.1=3, 10155/2.1=2 HB2 GLU 23 - HB VAL 32 lone 7 100 - 7 - 10156/2.1=2, 10155/2.1=1 HG3 GLU 104 - HB VAL 32 lone 5 92 - 5 - 10156/2.1=2, 10155/2.1=1 HB2 GLU 16 - HB VAL 32 lone 3 87 - 3 - Peak 10159 from cnoeabs.peaks (1.52, 0.83, 22.02 ppm; 3.71 A): 8 out of 12 assignments used, quality = 0.92: HG LEU 6 + QG2 VAL 32 OK 49 97 - 50 - 3.7/10154=20...(8) HB ILE 7 + QG2 VAL 32 OK 30 99 - 30 - 2.9/1410=5, ~12056=4...(13) HB3 LEU 103 + QG2 VAL 32 OK 29 99 - 29 - 4487=5, ~8945=5...(11) HG12 ILE 56 + QG2 VAL 32 OK 27 84 - 32 - 3.2/10674=10...(8) HG LEU 57 + QG2 VAL 32 OK 24 70 - 34 - 3.0/2615=4, 3.0/2623=4...(13) HB2 LEU 14 + QG2 VAL 32 OK 22 99 - 22 - ~8942=4, 3.0/10335=2...(9) HG3 LYS 33 + QG2 VAL 32 OK 15 81 - 19 - 4.9/1412=9, 4.9/8750=4...(5) HG3 ARG 30 + QG2 VAL 32 OK 12 87 - 13 - 2.9/10335=4, 10146/4.0=2...(4) HG3 LYS 24 - QG2 VAL 32 lone 8 92 - 8 - ~8945=2, 8595/3.2=1, 6523/4.1=1 HG LEU 2 - QG2 VAL 32 lone 6 100 - 6 - HG2 ARG 79 - QG2 VAL 32 lone 5 73 - 7 - 210/10154=1, 3.0/10160=1 HG3 ARG 79 - QG2 VAL 32 lone 4 70 - 6 - 3.0/10160=1 Peak 10160 from cnoeabs.peaks (1.66, 0.83, 22.02 ppm; 3.80 A): 6 out of 15 assignments used, quality = 0.83: HB3 LEU 6 + QG2 VAL 32 OK 53 92 - 58 - 3.0/10154=24...(9) HB2 LYS 40 + QG2 VAL 32 OK 33 87 - 39 - 2.9/10335=7, 2.9/10337=6...(10) HD2 LYS 68 + QG2 VAL 32 OK 17 98 - 18 - 10263=6, 1.8/10263=5, 5.9/9530=2 HD3 LYS 68 + QG2 VAL 32 OK 17 97 - 18 - 10263=6, 1.8/10263=5, 5.9/9530=2 HG2 LYS 68 + QG2 VAL 32 OK 12 73 - 16 - 3.0/10263=4, 3.0/10263=4 HG3 LYS 20 + QG2 VAL 32 OK 10 73 - 14 - 3.0/1409=3, ~8944=2...(6) HB ILE 52 - QG2 VAL 32 poor 10 87 - 11 - 2349/4.0=2, ~12056=2...(4) HB ILE 76 - QG2 VAL 32 poor 9 81 - 11 - ~9654=1, 3.0/1408=1...(4) HD2 LYS 39 - QG2 VAL 32 lone 9 99 - 9 - 10263=3, 6.0/6601=1 HB3 ARG 79 - QG2 VAL 32 lone 8 99 - 8 - 9699/8775=1, 188/10154=1 HD3 LYS 20 - QG2 VAL 32 poor 8 73 - 10 - 3.5/1409=2, ~8946=2...(4) HD2 LYS 20 - QG2 VAL 32 poor 6 61 - 10 - 3.5/1409=2, ~8946=2...(4) HD3 LYS 39 - QG2 VAL 32 lone 5 70 - 8 - 1.8/10263=3, 6.0/6601=1 HD3 LYS 73 - QG2 VAL 32 lone 5 97 - 5 - HD2 LYS 73 - QG2 VAL 32 lone 5 94 - 5 - Peak 10161 from cnoeabs.peaks (2.63, 0.83, 22.02 ppm; 5.61 A): 4 out of 4 assignments used, quality = 0.82: HB3 TYR 41 + QG2 VAL 32 OK 58 99 - 59 - 3.7/10152=19...(8) HG3 MET 74 + QG2 VAL 32 OK 29 92 - 32 - 10166/2.1=7, 3359/3.2=4...(9) HB3 ASP 77 + QG2 VAL 32 OK 27 100 - 27 - 10166/2.1=8, ~9672=7...(5) HB3 ASP 65 + QG2 VAL 32 OK 18 96 - 19 - 10166/2.1=4, 4.6/9506=4...(6) Peak 10162 from cnoeabs.peaks (3.87, 0.83, 22.02 ppm; 3.68 A): 4 out of 11 assignments used, quality = 0.76: HA LEU 38 + QG2 VAL 32 OK 56 100 - 56 - ~8937=13, ~8932=13...(15) HA LYS 40 + QG2 VAL 32 OK 26 92 - 28 - 8934/2.1=6, 3.8/10335=5...(6) HA GLU 35 + QG2 VAL 32 OK 14 87 - 17 - 3.0/8775=5, 10167=2...(5) HA LYS 94 + QG2 VAL 32 OK 13 94 - 14 - 3.7/10335=3, 8934/2.1=2...(4) HA GLU 43 - QG2 VAL 32 lone 5 96 - 5 - HA2 GLY 100 - QG2 VAL 32 lone 4 94 - 5 - ~8935=2, 8934/2.1=1 HA ARG 91 - QG2 VAL 32 lone 3 84 - 4 - HB3 SER 49 - QG2 VAL 32 lone 3 65 - 5 - 8934/2.1=1 HA2 GLY 101 - QG2 VAL 32 lone 2 94 - 2 - HB2 SER 102 - QG2 VAL 32 lone 1 61 - 2 - 4.5/7652=1 HA3 GLY 101 - QG2 VAL 32 lone 1 65 - 1 - Peak 10163 from cnoeabs.peaks (4.60, 0.83, 22.02 ppm; 4.49 A): 2 out of 4 assignments used, quality = 0.70: HA ILE 8 + QG2 VAL 32 OK 50 92 - 55 - 12055/2.1=23...(8) HB THR 34 + QG2 VAL 32 OK 40 98 - 41 - 2.1/10337=14, ~8943=8...(7) HA ASP 11 - QG2 VAL 32 lone 5 99 - 6 - 12055/2.1=2 HA HIS 105 - QG2 VAL 32 lone 2 96 - 2 - Peak 10165 from cnoeabs.peaks (4.89, 0.83, 22.02 ppm; 4.18 A): 2 out of 2 assignments used, quality = 0.70: HA THR 31 + QG2 VAL 32 OK 49 100 - 49 - 6505/4.0=27, ~8728=6...(11) HA ILE 56 + QG2 VAL 32 OK 41 97 - 43 - 3.2/10674=12...(10) Peak 10166 from cnoeabs.peaks (2.64, 0.91, 23.40 ppm; 5.95 A): 4 out of 4 assignments used, quality = 0.87: HB3 TYR 41 + QG1 VAL 32 OK 67 100 - 67 - 3.7/8939=23, 3.7/8939=23...(7) HB3 ASP 77 + QG1 VAL 32 OK 30 100 - 30 - 10161/2.1=9, ~9672=7...(4) HG3 MET 74 + QG1 VAL 32 OK 30 81 - 37 - 10161/2.1=9, 4.0/1402=4...(10) HB3 ASP 65 + QG1 VAL 32 OK 17 99 - 17 - 10161/2.1=6, 10779/4.0=2 Peak 10167 from cnoeabs.peaks (0.82, 3.89, 59.23 ppm; 3.54 A): 10 out of 24 assignments used, quality = 0.92: QD2 LEU 38 + HA GLU 43 OK 40 92 - 44 - 1653/3.0=5, 2.1/10168=5...(17) QD2 LEU 38 + HA GLU 35 OK 36 100 - 37 - 4.5/12057=7, 2.1/10168=4...(15) QD2 LEU 38 + HA ARG 91 OK 25 99 - 25 - 2.1/10168=3, 4.5/12057=3...(12) QD1 LEU 70 + HA GLU 35 OK 23 94 - 25 - ~10278=4, 9549/3.0=3...(11) QD1 LEU 57 + HA ARG 91 OK 18 99 - 18 - 10698=6, 2.1/10697=2...(4) QD1 LEU 57 + HA GLU 35 OK 18 100 - 18 - 10698=6, 8775/3.0=3...(4) QG2 VAL 32 + HA GLU 35 OK 17 97 - 17 - 8775/3.0=4, 10162=4...(6) QD2 LEU 70 + HA GLU 35 OK 13 70 - 19 - 10278/3.0=3, ~9549=2...(7) QD2 LEU 2 + HA GLU 35 OK 12 73 - 17 - 2.1/10124=3, 8057/3.0=3...(9) QD1 LEU 70 + HA GLU 43 OK 11 83 - 14 - ~10608=2, 9548/3.7=1...(4) QD2 LEU 103 - HA GLU 35 lone 7 100 - 7 - 10538/3.6=1, 4499/4.9=1 QD2 LEU 2 - HA GLU 43 poor 7 62 - 12 - 2.1/10124=3, 10606/3.7=2...(4) QG2 ILE 15 - HA ARG 91 lone 7 75 - 9 - ~7437=3, ~3989=1, ~9955=1 QD2 LEU 70 - HA GLU 43 poor 7 59 - 11 - ~10608=2, ~10610=1, 10606/3.7=1 QD1 LEU 57 - HA GLU 43 lone 5 91 - 6 - 10698=2 QG2 VAL 32 - HA GLU 43 lone 5 87 - 6 - 10162=1 QD2 LEU 2 - HA ARG 91 lone 5 72 - 7 - 2.1/10124=1 QG2 VAL 32 - HA ARG 91 lone 4 96 - 5 - QD1 LEU 70 - HA ARG 91 lone 4 92 - 5 - QG2 ILE 15 - HA GLU 43 lone 4 66 - 6 - 4.4/1958=1 QD2 LEU 103 - HA ARG 91 lone 3 99 - 3 - QD2 LEU 103 - HA GLU 43 lone 3 92 - 3 - QG2 ILE 15 - HA GLU 35 lone 3 77 - 4 - QD2 LEU 70 - HA ARG 91 lone 3 68 - 4 - Peak 10168 from cnoeabs.peaks (0.87, 3.89, 59.23 ppm; 3.82 A): 6 out of 18 assignments used, quality = 0.85: QD1 LEU 38 + HA GLU 43 OK 37 78 - 48 - 12068/3.0=7, 2.1/10167=5...(16) QD1 LEU 38 + HA GLU 35 OK 34 90 - 38 - 4.5/12057=8, 2.1/10167=5...(15) QG2 ILE 76 + HA ARG 91 OK 26 85 - 31 - 3429/4.0=6, 3.2/4016=5...(10) QD1 LEU 38 + HA ARG 91 OK 25 88 - 28 - 4.5/12057=4, 2.1/10167=3...(12) QD1 LEU 2 + HA GLU 35 OK 22 90 - 25 - 8053/3.0=4, 10124=3...(9) QD1 LEU 2 + HA GLU 43 OK 18 78 - 23 - 8055/3.7=8, ~10608=4...(5) QG2 ILE 76 - HA GLU 43 poor 9 75 - 12 - ~10608=2, 3.2/10875=2...(5) QD2 LEU 64 - HA ARG 91 lone 8 92 - 9 - 2.1/4014=1 QD1 LEU 2 - HA ARG 91 lone 8 88 - 9 - 10124=1, 2.1/10125=1 HG13 ILE 8 - HA GLU 43 poor 8 62 - 12 - ~12202=2, ~10608=2, ~307=1 QD1 LEU 103 - HA GLU 35 lone 7 97 - 7 - 6590/12057=1, 4507/4.9=1 QG2 ILE 76 - HA GLU 35 lone 6 87 - 7 - 3.2/4016=1 QD1 LEU 103 - HA ARG 91 lone 4 96 - 4 - QD2 LEU 64 - HA GLU 35 lone 4 94 - 4 - QD1 LEU 103 - HA GLU 43 lone 3 87 - 4 - HG13 ILE 8 - HA GLU 35 lone 3 73 - 4 - QD2 LEU 64 - HA GLU 43 lone 3 83 - 3 - HG13 ILE 8 - HA ARG 91 lone 2 72 - 3 - Peak 10169 from cnoeabs.peaks (8.35, 6.43, 132.25 ppm; 6.50 A): 2 out of 6 assignments used, quality = 0.99: H TYR 4 + HD2 TYR 4 OK 90 90 - 100 - 5.4=100 H TYR 4 + HD1 TYR 4 OK 90 90 - 100 - 5.6=100 H ILE 93 - HD2 TYR 4 OK 31 81 - 39 - 140/4.3=8, 154/3.7=7...(12) H ILE 93 - HD1 TYR 4 OK 31 81 - 39 - 140/4.2=8, 154/3.7=7...(12) H GLU 95 - HD1 TYR 4 OK 21 90 - 24 - 140/4.2=5, 147/3.7=5...(5) H GLU 95 - HD2 TYR 4 OK 21 90 - 24 - 140/4.3=5, 147/3.7=5...(5) Peak 10170 from cnoeabs.peaks (3.87, 3.31, 43.64 ppm; 4.43 A): 5 out of 12 assignments used, quality = 0.94: HA GLU 43 + HD2 ARG 46 OK 54 94 - 58 - 12084=22, 12085/1.8=8...(14) HA2 GLY 101 + HD2 ARG 46 OK 46 96 - 48 - 10173/3.0=8, 3.0/2104=8...(13) HA ARG 91 + HD2 ARG 46 OK 43 81 - 54 - 12085/1.8=7, 3.0/2112=7...(15) HA LEU 38 + HD2 ARG 46 OK 36 100 - 36 - 10173/3.0=5, 10171/1.8=5...(13) HA3 GLY 101 + HD2 ARG 46 OK 31 61 - 50 - 3.0/2104=8, ~10173=6...(14) HA LYS 40 - HD2 ARG 46 OK 26 94 - 27 - 12084=10, 10173/3.0=3...(9) HA2 GLY 100 - HD2 ARG 46 OK 20 96 - 21 - 3.6/2104=7, 10173/3.0=3...(8) HB3 SER 49 - HD2 ARG 46 OK 17 70 - 24 - 1.8/2105=5, 10173/3.0=4...(9) HA GLU 35 - HD2 ARG 46 OK 13 84 - 16 - 12085/1.8=2, 10172/3.0=2...(8) HA LYS 94 - HD2 ARG 46 OK 12 96 - 13 - 10171/1.8=1, ~10033=1...(4) HA LYS 12 - HD2 ARG 46 lone 2 61 - 4 - HB2 SER 102 - HD2 ARG 46 lone 2 57 - 3 - Peak 10171 from cnoeabs.peaks (3.87, 3.19, 43.64 ppm; 4.28 A): 5 out of 12 assignments used, quality = 0.92: HA GLU 43 + HD3 ARG 46 OK 49 94 - 52 - 12084/1.8=19, 12085=8...(13) HA ARG 91 + HD3 ARG 46 OK 46 81 - 57 - 12085=7, 3.0/2121=7...(17) HA2 GLY 101 + HD3 ARG 46 OK 43 96 - 45 - 10173/3.0=7, 3.0/2113=6...(13) HA LEU 38 + HD3 ARG 46 OK 31 100 - 31 - 10173/3.0=5, 10170/1.8=4...(11) HA3 GLY 101 + HD3 ARG 46 OK 29 61 - 47 - 3.0/2113=6, ~10173=6...(14) HA LYS 40 - HD3 ARG 46 OK 20 94 - 21 - 12084/1.8=9, 10173/3.0=3...(7) HA2 GLY 100 - HD3 ARG 46 OK 18 96 - 19 - 3.6/2113=6, 10173/3.0=3...(7) HB3 SER 49 - HD3 ARG 46 OK 15 70 - 21 - 1.8/2114=4, 10173/3.0=3...(8) HA GLU 35 - HD3 ARG 46 OK 13 84 - 15 - 12085=2, 10172/3.0=2...(8) HA LYS 94 - HD3 ARG 46 poor 10 96 - 10 - 10170/1.8=2, ~10033=1 HB2 SER 102 - HD3 ARG 46 lone 2 57 - 3 - HA LYS 12 - HD3 ARG 46 lone 2 61 - 3 - Peak 10172 from cnoeabs.peaks (3.88, 1.82, 26.76 ppm; 4.42 A): 5 out of 10 assignments used, quality = 0.97: HA ARG 91 + HG2 ARG 46 OK 55 94 - 59 - 3.0/7434=9, 2076/3.0=7...(17) HA2 GLY 101 + HG2 ARG 46 OK 52 84 - 62 - 3.0/2086=10, ~2095=7...(19) HA3 GLY 101 + HG2 ARG 46 OK 49 81 - 61 - 3.0/2086=10, ~10173=8...(18) HA GLU 43 + HG2 ARG 46 OK 48 99 - 48 - 12084/3.0=17...(10) HA LEU 38 + HG2 ARG 46 OK 44 99 - 44 - 2.9/8853=8, 10173/1.8=5...(16) HA2 GLY 100 - HG2 ARG 46 OK 20 84 - 24 - 3.6/2086=9, 10173/1.8=2...(9) HA LYS 40 - HG2 ARG 46 OK 20 81 - 24 - 12084/3.0=8, 10173/1.8=3...(8) HA GLU 35 - HG2 ARG 46 OK 18 96 - 19 - 2066/3.0=2, 2076/3.0=2...(9) HA LYS 94 - HG2 ARG 46 poor 9 84 - 11 - 10170/3.0=1, 10171/3.0=1...(4) HB2 SER 102 - HG2 ARG 46 lone 3 77 - 4 - Peak 10173 from cnoeabs.peaks (3.86, 1.79, 26.76 ppm; 4.31 A): 6 out of 10 assignments used, quality = 0.91: HA2 GLY 101 + HG3 ARG 46 OK 57 100 - 57 - 3.0/2095=10, ~2086=7...(20) HA LEU 38 + HG3 ARG 46 OK 38 94 - 41 - ~8853=5, 3.0/10545=4...(17) HB3 SER 49 + HG3 ARG 46 OK 26 96 - 28 - 1.8/2096=5, 9068/3.0=3...(11) HA GLU 43 + HG3 ARG 46 OK 23 65 - 36 - 12084/3.0=15...(10) HA LYS 40 + HG3 ARG 46 OK 23 100 - 22 - 12084/3.0=7, 2.9/6620=2...(6) HA2 GLY 100 + HG3 ARG 46 OK 20 100 - 20 - 3.6/2095=9, 11028/1.8=3...(6) HA LYS 94 - HG3 ARG 46 lone 9 100 - 9 - 10170/3.0=1 HA ALA 71 - HG3 ARG 46 lone 6 61 - 9 - 10837/10176=2, 2.1/10835=2 HA LYS 12 - HG3 ARG 46 lone 4 92 - 5 - HA ALA 67 - HG3 ARG 46 lone 3 90 - 3 - Peak 10174 from cnoeabs.peaks (3.88, 4.07, 58.19 ppm; 3.72 A): 8 out of 20 assignments used, quality = 0.90: HA ARG 91 + HA ARG 46 OK 37 94 - 39 - 2076/3.0=5, 2066/3.0=5...(13) HA2 GLY 101 + HA ARG 46 OK 33 84 - 40 - 3.0/2057=6, ~10100=4...(16) HA GLU 43 + HA ARG 46 OK 33 99 - 33 - 12084/5.2=7, 1958/3.0=6...(9) HA3 GLY 101 + HA ARG 46 OK 30 81 - 37 - 3.0/2057=6, 2066/3.0=5...(15) HA LEU 38 + HA ARG 46 OK 21 99 - 22 - 2066/3.0=3, 2076/3.0=3...(12) HA2 GLY 100 + HA ARG 46 OK 17 84 - 21 - 3.6/2057=5, ~6737=3...(9) HA GLU 35 + HA ARG 46 OK 12 96 - 13 - 1958/3.0=2, 2066/3.0=2...(5) HA LYS 40 + HA ARG 46 OK 11 81 - 13 - 12084/5.2=4, 10173/4.1=1...(6) HA ARG 91 - HA LYS 66 poor 10 70 - 14 - 4014/3.7=1, 4014/3.7=1 HA LYS 94 - HA ARG 46 lone 8 84 - 10 - 6757/3.6=2, ~6741=2 HA GLU 43 - HA LYS 66 poor 8 78 - 10 - ~7078=2, 2.9/10774=2 HA GLU 35 - HA LYS 66 lone 5 72 - 7 - 3.6/10774=1, 4014/3.7=1 HA LYS 94 - HA LYS 66 lone 4 60 - 7 - HA LEU 38 - HA LYS 66 lone 4 77 - 5 - HA LYS 40 - HA LYS 66 lone 3 57 - 6 - HA2 GLY 101 - HA LYS 66 lone 3 60 - 4 - HA2 GLY 100 - HA LYS 66 lone 3 60 - 4 - ~7619=1 HA3 GLY 101 - HA LYS 66 lone 2 57 - 4 - HB2 SER 102 - HA ARG 46 lone 2 77 - 3 - HB2 SER 102 - HA LYS 66 lone 1 54 - 1 - Peak 10175 from cnoeabs.peaks (2.18, 3.31, 43.64 ppm; 5.21 A): 5 out of 9 assignments used, quality = 0.68: HG2 GLU 43 + HD2 ARG 46 OK 36 87 - 42 - 3.7/12084=21...(4) HB3 GLU 16 + HD2 ARG 46 OK 23 90 - 26 - 11072/1.8=9, 4.0/2104=7...(6) HB3 GLN 50 + HD2 ARG 46 OK 17 100 - 17 - 11072/1.8=7, 3.0/9012=4...(4) HG3 GLU 75 + HD2 ARG 46 OK 11 100 - 11 - 11072/1.8=4, ~11072=3 HG2 GLU 75 + HD2 ARG 46 OK 11 99 - 11 - 11072/1.8=4, ~11072=3 HB2 GLN 72 - HD2 ARG 46 lone 6 84 - 8 - 10865/12326=3, 11072/1.8=2 HB3 GLU 75 - HD2 ARG 46 lone 5 84 - 6 - ~11072=3, 11072/1.8=2 HB3 GLU 95 - HD2 ARG 46 lone 3 65 - 5 - 11072/1.8=2, 10865/12326=1 HG3 PRO 86 - HD2 ARG 46 lone 2 61 - 4 - 3.8/2105=2 Peak 10176 from cnoeabs.peaks (1.09, 1.79, 26.76 ppm; 5.26 A): 2 out of 2 assignments used, quality = 0.95: HG12 ILE 76 + HG3 ARG 46 OK 92 100 - 92 - ~10882=25, 2.1/9021=14...(26) HG2 ARG 91 + HG3 ARG 46 OK 33 94 - 36 - 4.8/2103=7, 4.0/12087=5...(12) Peak 10177 from cnoeabs.peaks (1.46, 1.79, 26.76 ppm; 4.48 A): 6 out of 14 assignments used, quality = 0.95: HG2 LYS 53 + HG3 ARG 46 OK 45 97 - 47 - 10178/1.8=5, ~12114=5...(18) HD2 LYS 53 + HG3 ARG 46 OK 45 100 - 46 - 12114/3.0=9, 2439/1.8=7...(17) HB2 LEU 38 + HG3 ARG 46 OK 41 100 - 41 - 3.0/10173=6, 1.8/10545=5...(17) HG3 LYS 53 + HG3 ARG 46 OK 39 87 - 46 - 10178/1.8=5, ~12114=5...(18) HG LEU 38 + HG3 ARG 46 OK 34 100 - 34 - 3.7/10173=5, 2.1/9021=5...(12) HG3 ARG 91 + HG3 ARG 46 OK 31 99 - 31 - 1.8/10176=8, 4.8/2103=5...(9) HG3 LYS 39 - HG3 ARG 46 OK 28 77 - 36 - 12073/3.0=4, ~2091=3...(18) HD2 LYS 40 - HG3 ARG 46 lone 10 96 - 10 - 5.2/10173=2, 6.2/6620=1, ~9015=1 HD3 LYS 40 - HG3 ARG 46 lone 9 94 - 10 - 5.2/10173=2, 6.2/6620=1, ~9015=1 HG13 ILE 52 - HG3 ARG 46 lone 9 100 - 9 - 10180/3.0=2, 10179/3.0=2 HG2 LYS 12 - HG3 ARG 46 lone 5 90 - 6 - HG2 LYS 20 - HG3 ARG 46 lone 5 100 - 5 - HD2 LYS 82 - HG3 ARG 46 lone 3 100 - 3 - HB2 LEU 27 - HG3 ARG 46 lone 3 100 - 3 - Peak 10178 from cnoeabs.peaks (1.47, 1.82, 26.76 ppm; 4.82 A): 5 out of 13 assignments used, quality = 0.95: HG2 LYS 53 + HG2 ARG 46 OK 50 100 - 51 - ~12114=6, ~12115=6...(24) HG3 LYS 53 + HG2 ARG 46 OK 50 100 - 50 - ~12114=6, ~12115=6...(24) HD2 LYS 53 + HG2 ARG 46 OK 49 98 - 50 - 12114/3.0=11, ~12115=7...(18) HB2 LEU 38 + HG2 ARG 46 OK 43 92 - 47 - 3.8/8853=8, ~10545=5...(18) HG LEU 38 + HG2 ARG 46 OK 36 98 - 37 - 5.3/8853=6, 2.1/9023=5...(13) HG3 ARG 91 - HG2 ARG 46 OK 25 84 - 30 - ~10176=7, 4.8/7434=7...(7) HD2 LYS 40 - HG2 ARG 46 lone 9 100 - 9 - 5.2/10172=1, ~9015=1...(4) HD3 LYS 40 - HG2 ARG 46 lone 9 100 - 9 - 5.2/10172=1, ~9015=1...(4) HG13 ILE 52 - HG2 ARG 46 lone 9 96 - 9 - 10180/3.0=1, 10179/3.0=1 HG2 LYS 20 - HG2 ARG 46 lone 5 96 - 5 - HD2 LYS 82 - HG2 ARG 46 lone 3 98 - 3 - HB2 LEU 27 - HG2 ARG 46 lone 3 96 - 3 - HG LEU 64 - HG2 ARG 46 lone 2 77 - 3 - Peak 10179 from cnoeabs.peaks (1.45, 1.97, 29.74 ppm; 4.92 A): 5 out of 17 assignments used, quality = 0.97: HG13 ILE 76 + HB2 ARG 46 OK 62 77 - 80 - ~10176=17, ~9639=14...(22) HD2 LYS 53 + HB2 ARG 46 OK 53 96 - 56 - 12114=14, 1.8/12115=12...(16) HG2 LYS 53 + HB2 ARG 46 OK 49 87 - 57 - 3.0/12114=11...(19) HB2 LEU 38 + HB2 ARG 46 OK 44 99 - 45 - 3.8/6581=5, 3.0/2066=5...(15) HG3 ARG 91 + HB2 ARG 46 OK 40 100 - 41 - 4.0/2066=7, 4.8/2075=6...(13) HG3 LYS 53 - HB2 ARG 46 OK 38 70 - 55 - 3.0/12114=11...(19) HG LEU 38 - HB2 ARG 46 OK 36 96 - 38 - 3.7/2066=5, 10177/3.0=4...(13) HG3 LYS 39 - HB2 ARG 46 OK 32 92 - 35 - 3.0/2072=6, 12073=5...(11) HG13 ILE 52 - HB2 ARG 46 OK 27 98 - 27 - ~9027=7, ~9171=5...(9) HD2 LYS 40 - HB2 ARG 46 lone 8 84 - 9 - 5.2/2066=1, 10177/3.0=1 HD3 LYS 40 - HB2 ARG 46 lone 7 81 - 9 - 5.2/2066=1, 10177/3.0=1 HG2 LYS 12 - HB2 ARG 46 lone 7 98 - 7 - HG2 LYS 20 - HB2 ARG 46 lone 6 98 - 6 - HB2 LEU 27 - HB2 ARG 46 lone 4 98 - 4 - HD2 LYS 82 - HB2 ARG 46 lone 3 96 - 4 - HG LEU 29 - HB2 ARG 46 lone 3 73 - 4 - QB ALA 22 - HB2 ARG 46 lone 2 73 - 3 - Peak 10180 from cnoeabs.peaks (1.45, 1.96, 29.74 ppm; 4.87 A): 5 out of 17 assignments used, quality = 0.96: HG13 ILE 76 + HB3 ARG 46 OK 62 77 - 80 - ~10176=16, ~9639=14...(22) HD2 LYS 53 + HB3 ARG 46 OK 46 96 - 49 - 12114/1.8=12, ~12115=9...(15) HG2 LYS 53 + HB3 ARG 46 OK 42 87 - 49 - ~12114=8, ~12115=7...(17) HB2 LEU 38 + HB3 ARG 46 OK 41 99 - 41 - 3.0/2076=5, 10177/3.0=5...(15) HG3 ARG 91 + HB3 ARG 46 OK 40 100 - 40 - 4.0/2076=7, 4.8/2085=6...(13) HG LEU 38 - HB3 ARG 46 OK 33 96 - 34 - 3.7/2076=4, 10177/3.0=4...(12) HG3 LYS 53 - HB3 ARG 46 OK 33 70 - 47 - ~12114=8, ~12115=7...(17) HG3 LYS 39 - HB3 ARG 46 OK 31 92 - 34 - 12073/1.8=7, 3.0/2082=6...(10) HG13 ILE 52 - HB3 ARG 46 OK 24 98 - 25 - ~9027=7, ~9171=5...(8) HG2 LYS 12 - HB3 ARG 46 lone 8 98 - 8 - HD2 LYS 40 - HB3 ARG 46 lone 7 84 - 8 - 10177/3.0=1, 5.2/2076=1 HD3 LYS 40 - HB3 ARG 46 lone 6 81 - 8 - 5.2/2076=1, 10177/3.0=1 HG2 LYS 20 - HB3 ARG 46 lone 5 98 - 6 - HB2 LEU 27 - HB3 ARG 46 lone 3 98 - 3 - QB ALA 22 - HB3 ARG 46 lone 3 73 - 4 - HD2 LYS 82 - HB3 ARG 46 lone 3 96 - 3 - HG LEU 29 - HB3 ARG 46 lone 3 73 - 4 - Peak 10181 from cnoeabs.peaks (4.52, 2.43, 35.74 ppm; 4.13 A): 4 out of 9 assignments used, quality = 0.60: HA PHE 45 + HG3 GLU 48 OK 34 99 - 35 - 10620/3.0=11...(6) HA LYS 33 + HG3 GLU 48 OK 24 92 - 26 - 10620/3.0=9, 10182/1.8=9...(4) HA PHE 96 + HG3 GLU 48 OK 11 87 - 13 - 4.2/10623=3, 4.3/10623=3...(4) HA PHE 96 + HG3 GLU 99 OK 11 36 - 30 - 7599/4.7=13, 4413/3.0=5...(7) HA PHE 45 - HG3 GLU 17 lone 5 82 - 6 - HA PHE 45 - HG3 GLU 99 lone 5 47 - 10 - 7599/4.7=3, 4413/3.0=1...(4) HA PHE 96 - HG3 GLU 17 lone 4 67 - 5 - 4.3/10623=2, 4.2/10623=2 HA LYS 33 - HG3 GLU 17 lone 2 72 - 3 - HA LYS 33 - HG3 GLU 99 lone 1 40 - 3 - Peak 10182 from cnoeabs.peaks (4.53, 2.33, 35.74 ppm; 4.81 A): 2 out of 9 assignments used, quality = 0.59: HA PHE 45 + HG2 GLU 48 OK 40 90 - 45 - 10181/1.8=15...(8) HA LYS 33 + HG2 GLU 48 OK 32 100 - 32 - 10620/3.0=12...(3) HA PHE 45 - HG2 GLU 16 poor 9 58 - 15 - 2038/5.1=4, 3.6/6239=3...(6) HA PHE 45 - HG3 GLU 69 poor 8 59 - 13 - ~2023=3, ~6726=2...(5) HA PHE 96 - HG2 GLU 48 lone 6 61 - 10 - 10181/1.8=5, 10620/3.0=3 HA LYS 33 - HG2 GLU 16 lone 4 71 - 6 - 10190/6793=2, 10620/2234=2 HA LYS 33 - HG3 GLU 69 lone 2 71 - 2 - HA PHE 96 - HG2 GLU 16 lone 1 37 - 3 - HA PHE 96 - HG3 GLU 69 lone 1 37 - 1 - Peak 10183 from cnoeabs.peaks (1.48, 2.43, 35.74 ppm; 4.36 A): 0 out of 36 assignments used, low quality = 0.13: HG2 LYS 73 - HG3 GLU 17 OK 13 64 - 21 - 4.9/7200=3, 12182/1.8=3...(9) HG3 LYS 13 - HG3 GLU 17 poor 8 48 - 17 - ~10436=2, 3.0/10184=2...(8) HG2 LYS 47 - HG3 GLU 48 lone 7 87 - 8 - 6784/4.9=5 HB3 LEU 64 - HG3 GLU 48 lone 7 90 - 8 - 3.9/2257=2, 3.1/9042=2 HG LEU 64 - HG3 GLU 48 lone 7 100 - 7 - 2.1/9042=2, 4.8/2257=2 HB2 ARG 91 - HG3 GLU 48 lone 5 97 - 5 - 6784/4.9=2 HG2 LYS 47 - HG3 GLU 17 lone 5 67 - 8 - 12182/1.8=1 HG2 LYS 73 - HG3 GLU 48 lone 5 84 - 6 - 6784/4.9=1 HD3 LYS 40 - HG3 GLU 48 lone 5 81 - 5 - ~10580=2 HG3 LYS 53 - HG3 GLU 17 lone 4 70 - 6 - 5.0/9179=2 HD2 LYS 40 - HG3 GLU 48 lone 4 77 - 5 - ~10580=2 HG LEU 64 - HG3 GLU 17 lone 4 84 - 5 - 2.1/9042=1 HG3 LYS 53 - HG3 GLU 48 lone 4 90 - 4 - 5.0/9179=2 HG3 LYS 13 - HG3 GLU 48 lone 4 65 - 6 - 6784/4.9=2 HB3 LEU 64 - HG3 GLU 17 lone 4 70 - 5 - HG2 LYS 53 - HG3 GLU 17 lone 4 55 - 6 - 5.0/9179=2 HG2 LYS 53 - HG3 GLU 48 lone 3 73 - 5 - 5.0/9179=2 HG2 LYS 66 - HG3 GLU 17 lone 3 67 - 4 - HG3 LYS 66 - HG3 GLU 17 lone 3 61 - 4 - HB2 ARG 91 - HG3 GLU 17 lone 2 78 - 3 - HB2 ARG 91 - HG3 GLU 99 lone 2 44 - 6 - 4033/4.7=3 HG2 LYS 66 - HG3 GLU 48 lone 2 87 - 3 - HG3 LYS 66 - HG3 GLU 48 lone 2 81 - 3 - HD3 LYS 40 - HG3 GLU 17 lone 2 61 - 3 - HD2 LYS 40 - HG3 GLU 17 lone 2 58 - 3 - HG3 LYS 53 - HG3 GLU 99 lone 1 38 - 3 - 5.0/9179=2 HG2 LYS 73 - HG3 GLU 99 lone 1 35 - 3 - HG LEU 64 - HG3 GLU 99 lone 1 48 - 2 - HG2 LYS 53 - HG3 GLU 99 lone 1 29 - 4 - 5.0/9179=2 HG2 LYS 66 - HG3 GLU 99 lone 1 36 - 3 - HG2 LYS 47 - HG3 GLU 99 lone 1 36 - 2 - HB3 LEU 64 - HG3 GLU 99 lone 1 38 - 2 - HG3 LYS 66 - HG3 GLU 99 lone 1 33 - 2 - HG3 LYS 13 - HG3 GLU 99 lone 1 25 - 2 - HD3 LYS 40 - HG3 GLU 99 lone 0 33 - 1 - HD2 LYS 40 - HG3 GLU 99 lone 0 31 - 1 - Peak 10184 from cnoeabs.peaks (1.71, 2.43, 35.74 ppm; 4.12 A): 5 out of 45 assignments used, quality = 0.57: HD3 LYS 90 + HG3 GLU 17 OK 20 48 - 41 - 1.8/12232=14...(10) HB2 LEU 2 + HG3 GLU 17 OK 18 64 - 28 - 3.1/8056=6, ~12026=6...(9) HB2 LEU 2 + HG3 GLU 48 OK 16 84 - 19 - 3.1/8056=6, ~8055=5...(5) HD3 LYS 13 + HG3 GLU 17 OK 13 67 - 19 - ~11024=3, 10436/1.8=3...(7) HD2 LYS 13 + HG3 GLU 17 OK 12 61 - 19 - ~11024=3, 10436/1.8=3...(7) HD2 ARG 81 - HG3 GLU 48 poor 10 90 - 11 - 3626/3.0=2, 1.8/2253=1...(7) HB ILE 15 - HG3 GLU 17 poor 9 58 - 15 - 645/5.1=3, 4.0/758=2...(6) HD2 LYS 12 - HG3 GLU 17 poor 9 61 - 14 - 10436/1.8=2, ~12233=2...(5) HD3 LYS 12 - HG3 GLU 17 poor 9 61 - 14 - 10436/1.8=2, ~12233=2...(5) HB3 LEU 70 - HG3 GLU 17 lone 8 84 - 10 - 10274/3.0=1 HD3 LYS 90 - HG3 GLU 48 lone 6 65 - 9 - 1.8/12232=3, 3.0/12236=2 HD3 LYS 33 - HG3 GLU 48 lone 5 92 - 5 - 5.4/10181=4 HD2 LYS 33 - HG3 GLU 48 lone 5 92 - 5 - 5.4/10181=4 HG LEU 70 - HG3 GLU 17 lone 4 55 - 8 - 10436/1.8=1 HD3 LYS 24 - HG3 GLU 17 lone 4 48 - 8 - ~11024=1, 10436/1.8=1, ~10436=1 HB3 LEU 70 - HG3 GLU 48 lone 4 100 - 4 - HD2 LYS 24 - HG3 GLU 17 lone 4 45 - 8 - ~11024=1, 10436/1.8=1, ~10436=1 HD2 LYS 12 - HG3 GLU 48 lone 3 81 - 4 - 6.2/6149=2 HD3 LYS 12 - HG3 GLU 48 lone 3 81 - 4 - 6.2/6149=2 HD3 LYS 13 - HG3 GLU 48 lone 3 87 - 4 - HD2 LYS 13 - HG3 GLU 48 lone 3 81 - 4 - HB ILE 15 - HG3 GLU 48 lone 3 77 - 3 - HD3 LYS 66 - HG3 GLU 17 lone 3 64 - 4 - HD3 LYS 66 - HG3 GLU 48 lone 2 84 - 3 - HG LEU 70 - HG3 GLU 48 lone 1 73 - 2 - HD3 LYS 24 - HG3 GLU 48 lone 1 65 - 2 - HD2 LYS 24 - HG3 GLU 48 lone 1 61 - 2 - HD2 LYS 33 - HG3 GLU 17 lone 1 72 - 2 - HD3 LYS 33 - HG3 GLU 17 lone 1 72 - 2 - HB2 LEU 2 - HG3 GLU 99 lone 1 35 - 3 - HB3 LEU 70 - HG3 GLU 99 lone 1 48 - 2 - HD2 ARG 81 - HG3 GLU 17 lone 1 70 - 1 - HD3 LYS 66 - HG3 GLU 99 lone 1 35 - 2 - HD3 LYS 90 - HG3 GLU 99 lone 1 25 - 3 - 1.8/12232=1 HD2 LYS 12 - HG3 GLU 99 lone 1 33 - 2 - HD3 LYS 12 - HG3 GLU 99 lone 1 33 - 2 - HD3 LYS 13 - HG3 GLU 99 lone 1 36 - 1 - HB ILE 15 - HG3 GLU 99 lone 1 31 - 2 - HD2 LYS 13 - HG3 GLU 99 lone 0 33 - 1 - HD3 LYS 33 - HG3 GLU 99 lone 0 40 - 1 - HD2 LYS 33 - HG3 GLU 99 lone 0 40 - 1 - HD2 ARG 81 - HG3 GLU 99 lone 0 38 - 1 - HG LEU 70 - HG3 GLU 99 lone 0 29 - 1 - HD3 LYS 24 - HG3 GLU 99 lone 0 25 - 1 - HD2 LYS 24 - HG3 GLU 99 lone 0 23 - 1 - Peak 10185 from cnoeabs.peaks (1.36, 2.35, 35.75 ppm; 5.29 A): 3 out of 7 assignments used, quality = 0.86: HB2 LEU 70 + HG3 GLU 44 OK 63 99 - 63 - 3.1/8981=20, 4.1/2030=9...(14) HG3 LYS 40 + HG3 GLU 44 OK 57 98 - 59 - 1.8/10580=20...(8) HG12 ILE 8 + HG3 GLU 44 OK 10 100 - 10 - 3.1/8981=3, 10799/1.8=1 HG3 LYS 94 - HG3 GLU 44 poor 8 73 - 10 - 4.9/2030=5, 3168/8981=1 HB3 ARG 30 - HG3 GLU 44 lone 6 98 - 6 - 8719/8981=1 HG LEU 14 - HG3 GLU 44 lone 5 77 - 7 - HG3 LYS 68 - HG3 GLU 44 lone 5 73 - 7 - 10799/1.8=1 Peak 10186 from cnoeabs.peaks (1.47, 2.35, 35.75 ppm; 4.51 A): 2 out of 13 assignments used, quality = 0.60: HD3 LYS 40 + HG3 GLU 44 OK 37 100 - 37 - 3.0/10580=13...(6) HD2 LYS 40 + HG3 GLU 44 OK 37 100 - 37 - 3.0/10580=13...(7) HG13 ILE 52 - HG3 GLU 44 lone 6 96 - 7 - 3.2/8981=3, 3.0/10187=1 HG3 ARG 91 - HG3 GLU 44 lone 5 84 - 6 - 2.8/10187=1, ~10798=1 HG2 LYS 20 - HG3 GLU 44 lone 5 96 - 5 - 1.8/10187=1 HG3 LYS 53 - HG3 GLU 44 lone 4 100 - 4 - 3.0/10187=1 HG2 LYS 53 - HG3 GLU 44 lone 4 100 - 4 - 3.0/10187=1 HB2 LEU 27 - HG3 GLU 44 lone 3 96 - 3 - HD2 LYS 53 - HG3 GLU 44 lone 3 98 - 3 - 3.6/10187=1 HG LEU 38 - HG3 GLU 44 lone 2 98 - 2 - HB2 LEU 38 - HG3 GLU 44 lone 2 92 - 2 - HD2 LYS 82 - HG3 GLU 44 lone 2 98 - 2 - HG LEU 64 - HG3 GLU 44 lone 2 77 - 2 - Peak 10187 from cnoeabs.peaks (1.69, 2.35, 35.75 ppm; 3.78 A): 4 out of 21 assignments used, quality = 0.68: HB3 LYS 40 + HG3 GLU 44 OK 35 99 - 35 - 2.9/10580=8, 3.5/10186=7...(7) HG LEU 70 + HG3 GLU 44 OK 32 90 - 36 - 2.1/8981=13, 3.0/10185=7...(11) HD3 LYS 47 + HG3 GLU 44 OK 16 98 - 16 - 6.3/9029=3, ~10798=3...(6) HD2 LYS 47 + HG3 GLU 44 OK 15 97 - 16 - 6.3/9029=3, ~10798=3...(6) HB3 ARG 91 - HG3 GLU 44 lone 6 99 - 6 - ~10798=1, 2.8/10186=1 HB3 LYS 53 - HG3 GLU 44 lone 5 100 - 5 - HB ILE 52 - HG3 GLU 44 lone 5 70 - 7 - 2.1/8981=2, 3.0/10186=1 HD2 LYS 13 - HG3 GLU 44 lone 4 84 - 5 - HG12 ILE 15 - HG3 GLU 44 lone 4 98 - 4 - 3.2/8981=1 HG3 LYS 20 - HG3 GLU 44 lone 4 84 - 4 - 1.8/10186=1 HD2 LYS 20 - HG3 GLU 44 lone 4 92 - 4 - 2.8/10186=1 HG2 PRO 86 - HG3 GLU 44 lone 4 99 - 4 - HD3 LYS 13 - HG3 GLU 44 lone 4 77 - 5 - HD2 LYS 24 - HG3 GLU 44 lone 3 96 - 4 - HD3 LYS 24 - HG3 GLU 44 lone 3 94 - 4 - HD3 LYS 66 - HG3 GLU 44 lone 3 81 - 4 - HD3 LYS 20 - HG3 GLU 44 lone 3 84 - 4 - 2.8/10186=1 HB2 LEU 2 - HG3 GLU 44 lone 3 81 - 4 - 3.1/8981=1 HD2 LYS 12 - HG3 GLU 44 lone 2 84 - 2 - HD3 LYS 12 - HG3 GLU 44 lone 2 84 - 2 - HD3 LYS 90 - HG3 GLU 44 lone 2 94 - 2 - Peak 10192 from cnoeabs.peaks (1.43, 0.73, 20.80 ppm; 2.93 A): 7 out of 16 assignments used, quality = 0.75: HG LEU 29 + QG1 VAL 5 OK 43 97 - 45 - 3.6/8174=10, ~10500=9...(14) QB ALA 22 + QG1 VAL 5 OK 16 97 - 16 - 10453/8174=3, ~8576=3...(5) QB ALA 71 + QG2 VAL 78 OK 15 36 - 43 - 10290/2.1=15...(9) HG13 ILE 76 + QG2 VAL 78 OK 13 59 - 23 - 10290/2.1=5, ~9635=5...(9) HG2 LYS 13 + QG1 VAL 5 OK 11 100 - 11 - 12302/3.2=8 HG12 ILE 7 + QG2 VAL 78 OK 11 64 - 16 - 10290/2.1=4, 10273=3...(7) HG12 ILE 7 + QG1 VAL 5 OK 11 99 - 11 - 8246/4.0=3, 10273=2, 1.8/10271=1 HG3 LYS 39 - QG1 VAL 5 poor 10 84 - 11 - 3.0/175=2, 1.8/10194=1...(4) QB ALA 71 - QG1 VAL 5 lone 5 65 - 8 - 2.9/9550=2, ~10370=1...(4) QB ALA 22 - QG2 VAL 78 lone 5 60 - 9 - 10290/2.1=2, ~10904=1, ~9687=1 HG2 LYS 12 - QG1 VAL 5 lone 5 70 - 7 - 3.0/175=1, 3.0/175=1 HG3 LYS 39 - QG2 VAL 78 lone 5 48 - 9 - HG13 ILE 76 - QG1 VAL 5 lone 4 96 - 4 - HG LEU 29 - QG2 VAL 78 lone 4 60 - 6 - 3.6/8174=1, 10290/2.1=1 HG2 LYS 13 - QG2 VAL 78 lone 3 65 - 4 - HG2 LYS 12 - QG2 VAL 78 lone 1 38 - 2 - Peak 10193 from cnoeabs.peaks (1.45, 1.86, 33.82 ppm; 3.87 A): 6 out of 17 assignments used, quality = 0.94: HG LEU 29 + HB VAL 5 OK 69 90 - 78 - 3.6/8173=25, ~10500=18...(16) HB2 LEU 27 + HB VAL 5 OK 50 90 - 56 - 8633/2.1=14, ~8634=13...(14) QB ALA 22 + HB VAL 5 OK 27 90 - 31 - 10453/8173=7, ~8576=5...(12) HG3 LYS 39 + HB VAL 5 OK 26 99 - 26 - 1716=3, 8186/3.9=2...(12) HG2 LYS 12 + HB VAL 5 OK 16 100 - 16 - 417=2, ~181=2, ~163=1...(6) HG2 LYS 13 + HB VAL 5 OK 11 73 - 15 - 12302/3.0=10...(3) HG13 ILE 76 - HB VAL 5 lone 8 92 - 8 - 1288/8173=2 HD2 LYS 82 - HB VAL 5 lone 4 84 - 5 - 2.9/8191=1 HD2 LYS 40 - HB VAL 5 lone 4 65 - 6 - 3.0/8191=2 HG13 ILE 52 - HB VAL 5 lone 3 90 - 4 - ~8189=1 HD3 LYS 40 - HB VAL 5 lone 3 61 - 5 - 3.0/8191=2 HB2 LEU 38 - HB VAL 5 lone 3 94 - 3 - HD2 LYS 53 - HB VAL 5 lone 2 84 - 3 - HG2 LYS 20 - HB VAL 5 lone 2 90 - 2 - HG3 ARG 91 - HB VAL 5 lone 1 98 - 1 - HG2 LYS 53 - HB VAL 5 lone 1 70 - 2 - HG LEU 38 - HB VAL 5 lone 1 84 - 1 - Peak 10194 from cnoeabs.peaks (1.33, 0.73, 20.80 ppm; 4.08 A): 9 out of 20 assignments used, quality = 0.89: HB3 LEU 27 + QG1 VAL 5 OK 57 87 - 66 - 8634/2.1=16, ~8633=14...(16) HG2 LYS 39 + QG1 VAL 5 OK 20 84 - 23 - 1.8/10192=3, ~10193=3...(10) QB ALA 67 + QG1 VAL 5 OK 19 99 - 20 - 4.9/8182=3, 3.6/9531=3...(7) HB2 LYS 82 + QG2 VAL 78 OK 19 53 - 35 - 3.0/10901=9, ~10900=9...(10) HG3 LYS 68 + QG1 VAL 5 OK 18 70 - 25 - 4.0/8182=4, 2.9/175=3...(10) HB2 LYS 82 + QG1 VAL 5 OK 12 90 - 14 - 4.6/8166=3, 3.0/10901=2...(4) HB3 LEU 27 + QG2 VAL 78 OK 12 51 - 24 - 3.0/1185=3, 1.8/1193=3...(10) HG3 LYS 68 + QG2 VAL 78 OK 12 38 - 32 - ~10351=5, ~10289=5...(11) QB ALA 67 + QG2 VAL 78 OK 12 63 - 19 - 3.6/9531=4, 4.9/8182=3...(7) HG2 LYS 94 - QG1 VAL 5 poor 10 97 - 10 - 4.9/10369=2, 2.9/10198=2 HG2 LYS 39 - QG2 VAL 78 poor 9 48 - 18 - ~9690=2, ~10289=2...(8) QB ALA 25 - QG1 VAL 5 lone 7 97 - 8 - 10476/10369=1 QB ALA 89 - QG1 VAL 5 lone 7 97 - 7 - 9931/2.1=2, 8185/4.0=1 HB3 LEU 2 - QG2 VAL 78 lone 6 65 - 10 - 60/4.3=4, ~10287=1, ~10906=1 HB3 LEU 2 - QG1 VAL 5 lone 6 100 - 6 - HG LEU 14 - QG1 VAL 5 lone 5 65 - 7 - 8185/4.0=2 QB ALA 25 - QG2 VAL 78 lone 4 60 - 7 - 8621/2.1=1 HG2 LYS 94 - QG2 VAL 78 lone 4 60 - 6 - HG LEU 14 - QG2 VAL 78 lone 3 36 - 9 - ~10349=1 QB ALA 89 - QG2 VAL 78 lone 2 60 - 3 - Peak 10195 from cnoeabs.peaks (1.46, 0.98, 22.13 ppm; 3.54 A): 4 out of 14 assignments used, quality = 0.57: HG13 ILE 52 + QG2 THR 80 OK 31 100 - 31 - 3.8/3570=7, 2367/3.2=5...(8) HD2 LYS 82 + QG2 THR 80 OK 21 100 - 21 - 5.1/9711=6, 3.5/9729=5...(6) HB2 LEU 27 + QG2 THR 80 OK 11 100 - 11 - 1.8/9732=2 HG3 LYS 39 + QG2 THR 80 OK 11 61 - 18 - 1.8/9732=3, 3.0/9731=2...(8) HG LEU 38 - QG2 THR 80 lone 7 100 - 7 - ~9723=2, 2367/3.2=1 HB2 LEU 38 - QG2 THR 80 lone 7 99 - 7 - ~9723=1 HD2 LYS 40 - QG2 THR 80 lone 7 99 - 7 - HD3 LYS 40 - QG2 THR 80 lone 7 99 - 7 - HD2 LYS 53 - QG2 THR 80 lone 6 100 - 6 - HG2 LYS 53 - QG2 THR 80 lone 6 100 - 6 - HG3 LYS 53 - QG2 THR 80 lone 5 96 - 5 - HG2 LYS 20 - QG2 THR 80 lone 4 100 - 4 - HG2 LYS 12 - QG2 THR 80 lone 3 77 - 4 - 3.0/9731=1, 3.0/9731=1 HG3 ARG 91 - QG2 THR 80 lone 3 96 - 3 - Peak 10196 from cnoeabs.peaks (1.53, 0.73, 20.80 ppm; 3.53 A): 9 out of 24 assignments used, quality = 0.88: HG LEU 6 + QG1 VAL 5 OK 37 94 - 40 - 3.7/8178=12, 209/4.1=9...(7) HG12 ILE 56 + QG1 VAL 5 OK 33 100 - 33 - 2584/4.0=6, ~9328=4...(13) HG2 ARG 79 + QG2 VAL 78 OK 25 66 - 38 - 4.7/7286=6, ~12197=4...(15) HG3 ARG 79 + QG2 VAL 78 OK 24 65 - 37 - 4.7/7286=6, ~12197=4...(15) HG12 ILE 56 + QG2 VAL 78 OK 18 65 - 28 - 2579/2.1=3, ~3481=3...(15) HG2 ARG 79 + QG1 VAL 5 OK 13 100 - 13 - 4.7/7286=2, 209/4.1=2...(4) HB ILE 7 + QG1 VAL 5 OK 12 87 - 14 - 6066/4.1=3, 8242/4.0=3...(5) HG3 ARG 79 + QG1 VAL 5 OK 12 100 - 12 - 4.7/7286=2, 6066/4.1=1...(4) HG3 ARG 30 + QG1 VAL 5 OK 10 99 - 11 - 4.9/8166=5, 6066/4.1=2 HB2 LEU 3 - QG1 VAL 5 poor 10 61 - 16 - ~8191=3, 3.1/8111=3...(7) HB ILE 7 - QG2 VAL 78 poor 8 51 - 16 - 2.9/10273=3, 2.9/10271=3...(6) HG2 LYS 33 - QG1 VAL 5 lone 8 81 - 10 - 1446/4.1=3, 4.9/178=3 HB2 LEU 14 - QG1 VAL 5 lone 7 87 - 8 - 6066/4.1=2, 8242/4.0=1 HG LEU 6 - QG2 VAL 78 lone 5 57 - 8 - 3.7/8178=2, 5.3/178=1 HG3 ARG 30 - QG2 VAL 78 lone 4 64 - 7 - 7292/4.3=3, 4.9/8166=1 HB2 LEU 14 - QG2 VAL 78 lone 4 51 - 8 - ~10349=2 HB2 LEU 3 - QG2 VAL 78 lone 3 33 - 10 - 3.1/8111=1, 8108=1, 9686/2.1=1 HG2 LYS 33 - QG2 VAL 78 lone 2 46 - 5 - 9686/2.1=2, 4.9/178=1 HG LEU 2 - QG1 VAL 5 lone 2 61 - 3 - HB3 LEU 103 - QG1 VAL 5 lone 2 90 - 2 - HB3 LEU 103 - QG2 VAL 78 lone 2 53 - 4 - ~10906=2 HD3 LYS 53 - QG1 VAL 5 lone 2 65 - 3 - HG LEU 2 - QG2 VAL 78 lone 2 33 - 5 - 68/4.3=1, ~10906=1 HD3 LYS 53 - QG2 VAL 78 lone 1 36 - 3 - Peak 10197 from cnoeabs.peaks (1.64, 0.73, 20.80 ppm; 3.77 A): 8 out of 22 assignments used, quality = 0.90: HB3 LEU 6 + QG1 VAL 5 OK 54 96 - 57 - 3.0/8178=16, 4.0/178=15...(9) HB ILE 76 + QG2 VAL 78 OK 28 64 - 44 - ~9635=12, 10289/2.1=6...(12) HG2 LYS 68 + QG1 VAL 5 OK 23 100 - 23 - 4.0/8182=3, 2.9/175=3...(8) HG2 LYS 68 + QG2 VAL 78 OK 20 65 - 31 - 10289/2.1=6, ~10351=4...(11) HD3 LYS 39 + QG1 VAL 5 OK 17 100 - 17 - 3.0/10192=2, 3.0/10194=2...(7) HB3 ARG 79 + QG2 VAL 78 OK 17 46 - 37 - 4.1/7286=9, ~10900=7...(13) HD3 LYS 68 + QG1 VAL 5 OK 16 90 - 18 - 3.5/175=3, 5.3/8182=2...(7) HD2 LYS 68 + QG1 VAL 5 OK 16 87 - 18 - 3.5/175=3, 5.3/8182=2...(7) HD3 LYS 68 - QG2 VAL 78 OK 15 53 - 29 - 10289/2.1=5, ~10289=4...(11) HD2 LYS 68 - QG2 VAL 78 OK 14 51 - 29 - 10289/2.1=5, ~10289=4...(11) HD3 LYS 39 - QG2 VAL 78 OK 12 65 - 19 - 10289/2.1=3, 9690/3.2=2...(6) HD2 LYS 39 - QG1 VAL 5 OK 12 81 - 15 - 3.0/10192=2, 3.0/10194=2...(7) HB3 ARG 79 - QG1 VAL 5 OK 11 81 - 14 - 4.1/7286=2, 6065/4.1=2...(5) HB ILE 76 - QG1 VAL 5 lone 8 99 - 8 - 6065/4.1=1 HB3 LEU 6 - QG2 VAL 78 poor 8 59 - 13 - 4.0/178=2, 3.0/8178=2...(6) HD2 LYS 39 - QG2 VAL 78 poor 8 46 - 16 - 10289/2.1=3, ~9690=2...(5) HB2 LYS 40 - QG1 VAL 5 lone 5 98 - 5 - ~8191=1 HD2 LYS 94 - QG1 VAL 5 lone 4 73 - 6 - 3.5/10198=2, 6.3/10369=1 HB2 LYS 40 - QG2 VAL 78 lone 2 62 - 3 - HD2 LYS 94 - QG2 VAL 78 lone 2 41 - 5 - HG3 LYS 47 - QG1 VAL 5 lone 1 65 - 1 - HG3 LYS 47 - QG2 VAL 78 lone 1 36 - 2 - Peak 10198 from cnoeabs.peaks (2.04, 0.73, 20.80 ppm; 4.14 A): 0 out of 18 assignments used, low quality = 0.41: HG12 ILE 93 - QG1 VAL 5 OK 41 99 - 42 - 10017/2.1=15, ~10322=9...(10) HB3 LYS 94 - QG1 VAL 5 lone 4 61 - 7 - 4.0/10369=3, 2.9/10194=1 HG12 ILE 93 - QG2 VAL 78 lone 4 64 - 7 - HB2 MET 21 - QG1 VAL 5 lone 2 94 - 2 - HB2 MET 21 - QG2 VAL 78 lone 2 57 - 3 - HB3 GLU 98 - QG1 VAL 5 lone 1 100 - 1 - HB2 GLU 98 - QG1 VAL 5 lone 1 100 - 1 - HB3 LYS 94 - QG2 VAL 78 lone 1 33 - 4 - HB3 GLU 99 - QG1 VAL 5 lone 1 99 - 1 - HB3 GLU 48 - QG1 VAL 5 lone 1 98 - 1 - HB2 GLU 99 - QG1 VAL 5 lone 1 100 - 1 - HB2 GLN 50 - QG1 VAL 5 lone 1 65 - 2 - HB3 GLU 48 - QG2 VAL 78 lone 1 62 - 1 - HB2 GLU 99 - QG2 VAL 78 lone 1 65 - 1 - HB3 GLU 99 - QG2 VAL 78 lone 1 64 - 1 - HB3 GLU 98 - QG2 VAL 78 lone 1 65 - 1 - HB2 GLU 98 - QG2 VAL 78 lone 0 65 - 1 - HB2 GLN 50 - QG2 VAL 78 lone 0 36 - 1 - Peak 10199 from cnoeabs.peaks (2.90, 0.98, 22.13 ppm; 4.94 A): 5 out of 8 assignments used, quality = 0.94: HE3 LYS 68 + QG2 THR 80 OK 65 96 - 69 - 3.6/10256=21...(11) HE2 LYS 68 + QG2 THR 80 OK 63 92 - 69 - 3.6/10256=21...(11) HE3 LYS 66 + QG2 THR 80 OK 26 100 - 27 - ~9717=6, 9717/2.1=5...(7) HE2 LYS 66 + QG2 THR 80 OK 25 99 - 26 - 9717/2.1=6, ~9717=5...(6) HB2 ASN 60 + QG2 THR 80 OK 12 96 - 13 - 9437/4.0=5, 9717/2.1=3 HE3 LYS 94 - QG2 THR 80 lone 9 90 - 10 - 3.9/9732=1 HE2 LYS 20 - QG2 THR 80 lone 6 87 - 7 - 3.6/10195=1 HE3 LYS 20 - QG2 THR 80 lone 5 84 - 7 - 3.6/10195=1 Peak 10200 from cnoeabs.peaks (8.55, 5.34, 59.36 ppm; 4.19 A): 0 out of 6 assignments used, low quality = 0.37: H VAL 58 - HA THR 80 OK 17 40 - 42 - 9366/3.2=23...(3) H VAL 58 - HA ILE 52 OK 14 84 - 16 - 10202/3.2=3...(6) H GLN 50 - HA ILE 52 OK 13 97 - 13 - 10202/3.2=7, 6853/3.0=5 H LYS 12 - HA ILE 52 lone 6 97 - 6 - 10202/3.2=1 H GLN 50 - HA THR 80 lone 3 51 - 7 - 10926/3.6=2, 10755/10756=1 H LYS 12 - HA THR 80 lone 1 51 - 2 - Peak 10202 from cnoeabs.peaks (8.55, 0.78, 17.78 ppm; 4.54 A): 6 out of 8 assignments used, quality = 0.92: H GLN 50 + QG2 ILE 52 OK 59 100 - 60 - 4.3/9066=11...(14) H ASN 51 + QG2 ILE 52 OK 48 87 - 55 - 6839/4.0=22, 9107=16...(13) H VAL 58 + QG2 ILE 8 OK 33 44 - 75 - ~8300=25, 11112/4.0=14...(18) H VAL 58 + QG2 ILE 52 OK 29 99 - 29 - 10200/3.2=8, 4.0/12317=6...(6) H GLN 50 + QG2 ILE 8 OK 11 45 - 25 - 11112/4.0=3, 4.6/9047=3...(9) H LYS 12 + QG2 ILE 52 OK 11 73 - 15 - 10200/3.2=3, 2.9/9165=2...(4) H ASN 51 - QG2 ILE 8 poor 7 34 - 21 - 9107=5, 4.6/6861=4...(6) H LYS 12 - QG2 ILE 8 poor 4 27 - 13 - 4.7/10389=3, 6148/3.2=2...(4) Peak 10203 from cnoeabs.peaks (8.36, 5.16, 60.16 ppm; 4.21 A): 3 out of 3 assignments used, quality = 0.88: H TYR 4 + HA VAL 54 OK 81 99 - 81 - 8121/3.6=21, 8134/3.2=17...(20) H ILE 93 + HA VAL 54 OK 26 97 - 27 - 9293/3.6=7, 9227/3.2=6...(7) H GLU 95 + HA VAL 54 OK 15 99 - 15 - 11100/3.0=4, 9293/3.6=4...(4) Peak 10204 from cnoeabs.peaks (2.30, 5.16, 60.16 ppm; 4.69 A): 3 out of 6 assignments used, quality = 0.92: HB2 TYR 4 + HA VAL 54 OK 89 99 - 90 - 9239/3.2=25, ~9245=22...(21) HB2 GLU 48 + HA VAL 54 OK 18 100 - 18 - 9239/3.2=5, 10660/3.6=3...(6) HG2 GLU 63 + HA VAL 54 OK 12 100 - 12 - 9239/3.2=3, 10425/3.2=2...(4) HD3 ARG 81 - HA VAL 54 poor 10 87 - 11 - 1.8/10651=2, 9239/3.2=2...(5) HG3 GLU 16 - HA VAL 54 lone 9 100 - 8 - 9239/3.2=2, 10660/3.6=2 HB2 TYR 41 - HA VAL 54 lone 4 65 - 5 - ~8876=1, ~9241=1 Peak 10206 from cnoeabs.peaks (1.67, 0.65, 22.12 ppm; 4.30 A): 6 out of 15 assignments used, quality = 0.90: HB ILE 52 + QG2 VAL 54 OK 54 100 - 54 - 3.0/9240=17, ~10654=12...(14) HB3 LYS 53 + QG2 VAL 54 OK 44 70 - 63 - 3.0/9231=31, 4.4/6897=15...(8) HG3 LYS 20 + QG2 VAL 54 OK 29 98 - 30 - 4.9/8528=5, 1.8/10208=5...(10) HD3 LYS 20 + QG2 VAL 54 OK 22 98 - 22 - 5.9/8528=4, 2.8/10208=4...(7) HD2 LYS 20 + QG2 VAL 54 OK 21 94 - 22 - 5.9/8528=4, 2.8/10208=4...(7) HB3 ARG 79 + QG2 VAL 54 OK 13 81 - 17 - 4.1/2493=5, 3.0/10207=3...(6) HD2 LYS 68 - QG2 VAL 54 poor 8 73 - 11 - ~10655=2, 10655/2.1=2 HD3 LYS 68 - QG2 VAL 54 poor 8 70 - 11 - ~10655=2, 10655/2.1=2 HB3 LYS 40 - QG2 VAL 54 lone 8 77 - 10 - ~10658=2, ~10655=2 HD2 LYS 39 - QG2 VAL 54 lone 6 81 - 7 - 3.0/10568=4 HD2 LYS 47 - QG2 VAL 54 lone 6 87 - 6 - 3.0/9237=1, 3.0/9237=1 HD3 LYS 47 - QG2 VAL 54 lone 5 84 - 6 - 3.0/9237=1, 3.0/9237=1 HD2 LYS 73 - QG2 VAL 54 lone 4 100 - 4 - HD3 LYS 73 - QG2 VAL 54 lone 4 100 - 4 - HB3 ARG 91 - QG2 VAL 54 lone 3 81 - 4 - Peak 10207 from cnoeabs.peaks (1.53, 0.65, 22.12 ppm; 4.43 A): 9 out of 10 assignments used, quality = 0.92: HB ILE 7 + QG2 VAL 54 OK 42 96 - 44 - ~10210=12, 2.9/11070=10...(9) HG LEU 6 + QG2 VAL 54 OK 40 99 - 41 - 10209/2.1=9, ~10655=6...(13) HB2 LEU 14 + QG2 VAL 54 OK 24 96 - 25 - 10209/2.1=4, 3.0/9236=4...(7) HG3 ARG 30 + QG2 VAL 54 OK 22 100 - 22 - ~10653=6, 10209/2.1=4...(7) HG12 ILE 56 + QG2 VAL 54 OK 20 100 - 20 - 10659/4.1=5, 10209/2.1=4...(6) HG3 ARG 79 + QG2 VAL 54 OK 20 99 - 20 - 4.7/2493=4, 10659/4.1=4...(7) HG2 ARG 79 + QG2 VAL 54 OK 20 99 - 20 - 4.7/2493=4, 10659/4.1=4...(7) HG LEU 2 + QG2 VAL 54 OK 18 77 - 24 - 2.1/11070=7, 10209/2.1=3...(6) HG2 LYS 33 + QG2 VAL 54 OK 10 65 - 16 - 3.9/9235=10, ~10209=2 HB3 LEU 103 - QG2 VAL 54 lone 4 97 - 4 - Peak 10208 from cnoeabs.peaks (1.46, 0.65, 22.12 ppm; 4.07 A): 7 out of 14 assignments used, quality = 0.94: HG13 ILE 52 + QG2 VAL 54 OK 56 100 - 56 - 1.8/9240=20, ~10654=14...(14) HG2 LYS 53 + QG2 VAL 54 OK 35 98 - 36 - 3.9/9231=23, 6891/4.0=6...(4) HG2 LYS 20 + QG2 VAL 54 OK 32 100 - 32 - 4.9/8528=5, 1.8/10206=4...(13) HG3 LYS 53 + QG2 VAL 54 OK 31 90 - 34 - 3.9/9231=23, 6889/4.0=6...(4) HD2 LYS 53 + QG2 VAL 54 OK 30 100 - 30 - 5.3/9231=16, 2447/4.0=8...(4) HD2 LYS 82 + QG2 VAL 54 OK 25 100 - 25 - 2.9/9240=6, ~10654=6...(6) HB2 LEU 27 + QG2 VAL 54 OK 15 100 - 15 - 1194/2.1=2, ~1202=1...(4) HD2 LYS 40 - QG2 VAL 54 lone 8 97 - 8 - HD3 LYS 40 - QG2 VAL 54 lone 7 96 - 8 - HG2 LYS 12 - QG2 VAL 54 lone 7 87 - 8 - ~10853=1, ~10651=1 HG3 LYS 39 - QG2 VAL 54 lone 7 73 - 9 - 10568=3 HG LEU 38 - QG2 VAL 54 lone 6 100 - 6 - 2370/9240=1 HB2 LEU 38 - QG2 VAL 54 lone 6 100 - 6 - HG3 ARG 91 - QG2 VAL 54 lone 4 99 - 4 - Peak 10209 from cnoeabs.peaks (1.52, 0.76, 21.39 ppm; 3.26 A): 8 out of 11 assignments used, quality = 0.79: HG LEU 6 + QG1 VAL 54 OK 33 99 - 33 - 5.3/10663=6, 3.0/10655=5...(10) HB ILE 7 + QG1 VAL 54 OK 30 100 - 30 - 2.9/10210=12...(6) HB2 LEU 14 + QG1 VAL 54 OK 15 100 - 15 - 10207/2.1=2, 1.8/2501=2, ~9236=1 HG12 ILE 56 + QG1 VAL 54 OK 15 92 - 16 - 4.9/10662=5, 10659/4.1=2...(4) HG3 ARG 30 + QG1 VAL 54 OK 14 94 - 14 - 1.8/10653=6, 4.9/8713=2 HG LEU 2 + QG1 VAL 54 OK 12 98 - 12 - ~11070=3, 3.0/12274=2...(6) HG3 LYS 33 + QG1 VAL 54 OK 11 70 - 16 - 3.9/9244=11, 4.9/10663=4 HG2 ARG 79 + QG1 VAL 54 OK 11 84 - 13 - 4.7/2499=2, 3.0/10655=2...(5) HG3 ARG 79 - QG1 VAL 54 poor 10 81 - 12 - 4.7/2499=2, 3.0/10655=2...(5) HB3 LEU 103 - QG1 VAL 54 lone 2 100 - 2 - HG3 LYS 24 - QG1 VAL 54 lone 2 84 - 2 - Peak 10210 from cnoeabs.peaks (1.41, 0.76, 21.39 ppm; 3.36 A): 0 out of 3 assignments used, low quality = 0.34: HG12 ILE 7 - QG1 VAL 54 OK 19 84 - 23 - 2.9/10209=5, ~11070=5...(6) QB ALA 71 - QG1 VAL 54 OK 18 100 - 18 - 2.1/10658=8, 3.6/10847=4...(4) HG2 LYS 13 - QG1 VAL 54 lone 3 61 - 5 - 1.8/10852=1 Peak 10211 from cnoeabs.peaks (0.44, 0.83, 23.91 ppm; 3.18 A): 2 out of 2 assignments used, quality = 0.93: QD1 LEU 55 + QD1 LEU 57 OK 88 100 - 88 - 9272=34, 2.1/10212=31...(23) HG2 ARG 81 + QD1 LEU 57 OK 37 92 - 41 - 4.9/9338=11, 2.9/9744=7...(11) Peak 10212 from cnoeabs.peaks (0.50, 0.83, 23.91 ppm; 3.25 A): 1 out of 1 assignment used, quality = 0.75: QD2 LEU 55 + QD1 LEU 57 OK 75 99 - 76 - 2.1/10211=23...(19) Peak 10213 from cnoeabs.peaks (0.45, 0.80, 25.48 ppm; 4.15 A): 1 out of 2 assignments used, quality = 0.67: QD1 LEU 55 + QD2 LEU 57 OK 67 73 - 91 - 2.1/10217=36, ~10212=28...(20) QD1 LEU 3 - QD2 LEU 57 lone 8 90 - 9 - 3.9/10688=3, 9349/4.6=1 Peak 10214 from cnoeabs.peaks (0.49, 1.50, 26.28 ppm; 4.70 A): 1 out of 1 assignment used, quality = 0.56: QD2 LEU 55 + HG LEU 57 OK 56 61 - 92 - 10212/2.1=31, ~10213=26...(15) Peak 10215 from cnoeabs.peaks (2.09, 1.82, 42.45 ppm; 5.79 A): 8 out of 11 assignments used, quality = 0.91: HB VAL 83 + HB3 LEU 57 OK 64 65 - 98 - ~9819=46, ~9797=32...(20) HB3 GLU 88 + HB3 LEU 57 OK 22 70 - 32 - 9362/1.8=4, 9361/2.9=3...(12) HB3 GLU 35 + HB3 LEU 57 OK 20 81 - 24 - ~10698=5, 9362/1.8=4...(9) HG3 GLU 104 + HB3 LEU 57 OK 19 100 - 18 - 9362/1.8=4, 9361/2.9=3...(5) HB3 PRO 86 + HB3 LEU 57 OK 18 92 - 20 - 9362/1.8=3, 9361/2.9=2...(6) HB2 LEU 64 + HB3 LEU 57 OK 17 65 - 27 - 9362/1.8=4, 9361/2.9=4...(8) QE MET 21 + HB3 LEU 57 OK 17 99 - 17 - 9362/1.8=3, 9361/2.9=2...(4) HG3 GLU 37 + HB3 LEU 57 OK 13 77 - 16 - 9362/1.8=3, 9361/2.9=2...(7) HB2 GLU 23 - HB3 LEU 57 lone 8 96 - 9 - 9362/1.8=1, 4.6/8603=1 HB3 GLU 62 - HB3 LEU 57 lone 7 98 - 7 - 9361/2.9=1, 9362/1.8=1 HB2 GLU 16 - HB3 LEU 57 lone 3 61 - 6 - Peak 10217 from cnoeabs.peaks (0.52, 0.80, 25.48 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.76: QD2 LEU 55 + QD2 LEU 57 OK 76 84 - 90 - 2.1/10213=32, 9269=22...(19) Peak 10218 from cnoeabs.peaks (1.88, 0.68, 19.32 ppm; 4.85 A): 3 out of 10 assignments used, quality = 0.92: HB ILE 8 + QG2 VAL 58 OK 79 87 - 91 - 8300/3.2=32, 8301/2.1=30...(19) HB3 LEU 14 + QG2 VAL 58 OK 48 61 - 79 - 10224/2.1=12, 3.0/615=12...(23) HG LEU 42 + QG2 VAL 58 OK 25 84 - 30 - 10224/2.1=4, 10701/2.1=4...(12) HB2 ARG 19 - QG2 VAL 58 OK 22 94 - 24 - 10224/2.1=4, 10701/2.1=4...(10) HB VAL 54 - QG2 VAL 58 OK 14 100 - 14 - 10224/2.1=3, 10701/2.1=2 HB3 LYS 68 - QG2 VAL 58 OK 12 87 - 14 - 9492/9393=4, 2.9/10570=3...(4) HB2 LYS 20 - QG2 VAL 58 OK 11 98 - 11 - 10224/2.1=2, 10701/2.1=2...(4) HB3 GLU 104 - QG2 VAL 58 lone 3 84 - 4 - 9492/9393=1 HB3 LYS 12 - QG2 VAL 58 lone 3 70 - 4 - HB2 LYS 12 - QG2 VAL 58 lone 3 61 - 4 - Peak 10219 from cnoeabs.peaks (2.13, 0.68, 19.32 ppm; 4.07 A): 3 out of 11 assignments used, quality = 0.85: HB2 LEU 64 + QG2 VAL 58 OK 64 81 - 79 - 3.0/9388=35, ~9385=19...(13) HB VAL 83 + QG2 VAL 58 OK 37 81 - 46 - 4.0/10710=24...(7) HB2 PRO 86 + QG2 VAL 58 OK 36 97 - 37 - 9883=8, 2.3/9881=6...(10) HB3 GLU 69 - QG2 VAL 58 lone 5 100 - 5 - HB2 GLU 69 - QG2 VAL 58 lone 5 100 - 5 - HB2 GLU 75 - QG2 VAL 58 lone 5 94 - 5 - 1.8/9889=1, ~9381=1 HG2 GLU 88 - QG2 VAL 58 lone 4 77 - 6 - 9915/10221=2, ~9382=1 HG2 GLU 44 - QG2 VAL 58 lone 4 96 - 4 - 4.0/10227=3 HB3 GLU 37 - QG2 VAL 58 lone 3 100 - 3 - HG2 GLU 69 - QG2 VAL 58 lone 3 100 - 3 - HG3 GLU 37 - QG2 VAL 58 lone 2 70 - 3 - Peak 10220 from cnoeabs.peaks (2.21, 0.68, 19.32 ppm; 4.25 A): 5 out of 8 assignments used, quality = 0.93: HB2 GLU 63 + QG2 VAL 58 OK 79 87 - 91 - ~10233=27, 10236/2.1=22...(19) HB2 GLU 95 + QG2 VAL 58 OK 35 99 - 36 - 10700/2.1=6, 2.9/11013=6...(10) HG3 PRO 86 + QG2 VAL 58 OK 28 81 - 35 - 2.3/9883=8, 1.8/9545=5...(10) HG2 GLU 35 + QG2 VAL 58 OK 13 84 - 16 - 10700/2.1=3, ~9382=3...(7) HG3 GLU 35 + QG2 VAL 58 OK 13 84 - 16 - 10700/2.1=3, ~9382=3...(7) HG2 MET 1 - QG2 VAL 58 lone 5 90 - 5 - HG2 GLU 98 - QG2 VAL 58 lone 2 98 - 2 - HG2 GLU 99 - QG2 VAL 58 lone 1 87 - 2 - Peak 10221 from cnoeabs.peaks (0.97, 0.68, 19.32 ppm; 3.68 A): 3 out of 3 assignments used, quality = 0.81: QG2 THR 80 + QG2 VAL 58 OK 58 98 - 59 - 10223/2.1=26...(14) QG2 VAL 83 + QG2 VAL 58 OK 46 90 - 52 - 4.0/10710=19...(11) HG LEU 55 + QG2 VAL 58 OK 17 92 - 18 - 10223/2.1=5...(6) Peak 10222 from cnoeabs.peaks (1.13, 0.68, 19.32 ppm; 4.03 A): 1 out of 2 assignments used, quality = 0.73: HG3 LYS 82 + QG2 VAL 58 OK 73 90 - 81 - 3.9/10228=22...(17) QG2 THR 31 - QG2 VAL 58 poor 9 81 - 11 - 4.0/8737=3, 7347/10710=2 Peak 10223 from cnoeabs.peaks (0.98, 0.72, 21.78 ppm; 3.51 A): 1 out of 2 assignments used, quality = 0.50: QG2 THR 80 + QG1 VAL 58 OK 50 100 - 50 - 9366/4.0=18...(10) HG LEU 55 - QG1 VAL 58 poor 10 61 - 16 - 10221/2.1=4, 3.7/9386=2...(7) Peak 10224 from cnoeabs.peaks (1.89, 0.72, 21.78 ppm; 3.44 A): 5 out of 9 assignments used, quality = 0.90: HB ILE 8 + QG1 VAL 58 OK 72 97 - 74 - 8300/3.2=22, 8301/2.1=18...(21) HB3 LEU 14 + QG1 VAL 58 OK 43 81 - 54 - 3.1/2670=8, 9374/3.2=6...(23) HG LEU 42 + QG1 VAL 58 OK 16 96 - 16 - 10701/2.1=2, 2.1/2670=2...(6) HB2 ARG 19 + QG1 VAL 58 OK 13 99 - 13 - 10701/2.1=2, 9374/3.2=2...(5) HB VAL 54 + QG1 VAL 58 OK 11 100 - 10 - 12126=2, 10701/2.1=1...(4) HB2 LYS 20 - QG1 VAL 58 lone 6 100 - 6 - HB3 LYS 68 - QG1 VAL 58 lone 5 70 - 7 - 4.0/9531=2 HB2 GLU 43 - QG1 VAL 58 lone 5 65 - 7 - 4.4/8975=1, 3.0/9381=1 HB3 GLU 104 - QG1 VAL 58 lone 1 65 - 2 - Peak 10225 from cnoeabs.peaks (1.78, 0.72, 21.78 ppm; 3.50 A): 2 out of 7 assignments used, quality = 0.93: HB3 GLU 63 + QG1 VAL 58 OK 84 100 - 84 - 10233/2.1=27, ~10236=14...(20) HB3 LYS 82 + QG1 VAL 58 OK 60 81 - 74 - 1.8/9384=19, 3.0/9386=14...(17) HB VAL 78 - QG1 VAL 58 OK 27 100 - 27 - 3481=4, 10288/10223=4...(12) HB ILE 56 - QG1 VAL 58 OK 26 77 - 34 - 4.4/10714=9, 9380/2.1=4...(13) HB2 LYS 66 - QG1 VAL 58 OK 18 87 - 20 - 9380/2.1=2, 2884/10226=2...(10) HG3 ARG 19 - QG1 VAL 58 poor 9 65 - 14 - 3.0/10224=2, 9380/2.1=2...(6) HG3 ARG 46 - QG1 VAL 58 lone 3 94 - 3 - Peak 10226 from cnoeabs.peaks (3.92, 0.72, 21.78 ppm; 4.64 A): 3 out of 5 assignments used, quality = 0.94: HA GLU 63 + QG1 VAL 58 OK 90 97 - 93 - 10235/2.1=24, ~10233=24...(19) HB3 SER 9 + QG1 VAL 58 OK 31 99 - 31 - 8349/4.2=9, 8330=4...(8) HA TYR 41 + QG1 VAL 58 OK 18 98 - 18 - 9402/4.2=4, 10227/2.1=3...(4) HB2 SER 85 - QG1 VAL 58 poor 9 65 - 14 - ~9876=4, ~9867=3...(4) HA GLU 44 - QG1 VAL 58 lone 6 73 - 8 - 3.0/8975=3, 10227/2.1=2 Peak 10227 from cnoeabs.peaks (3.94, 0.68, 19.32 ppm; 6.18 A): 3 out of 4 assignments used, quality = 0.47: HB3 SER 9 + QG2 VAL 58 OK 24 84 - 28 - 9402/4.2=14, 10226/2.1=4...(5) HA TYR 41 + QG2 VAL 58 OK 20 87 - 23 - 9402/4.2=6, 8872=3...(6) HA GLU 44 + QG2 VAL 58 OK 12 100 - 12 - ~8975=4, 9402/4.2=2, 4.0/10219=1 HB2 SER 97 - QG2 VAL 58 lone 5 90 - 6 - Peak 10228 from cnoeabs.peaks (4.71, 0.68, 19.32 ppm; 3.43 A): 2 out of 2 assignments used, quality = 0.79: HA LYS 82 + QG2 VAL 58 OK 74 96 - 78 - 3.6/10710=18...(22) HA ARG 79 + QG2 VAL 58 OK 20 100 - 20 - 9372/4.0=3, 10724/4.2=3...(8) Peak 10229 from cnoeabs.peaks (0.84, 1.18, 44.10 ppm; 3.69 A): 3 out of 4 assignments used, quality = 0.82: QG2 VAL 32 + HB2 LEU 6 OK 61 98 - 62 - 10337=22, 10154/3.0=22...(10) QD1 LEU 57 + HB2 LEU 6 OK 42 92 - 46 - 2643=6, 4.6/8202=6...(15) QD2 LEU 103 + HB2 LEU 6 OK 20 90 - 22 - ~10231=10, 4501/3.0=2...(6) QD2 LEU 38 - HB2 LEU 6 poor 9 77 - 12 - ~10231=5, 12071/1.8=1 Peak 10230 from cnoeabs.peaks (0.82, 5.47, 52.09 ppm; 4.00 A): 4 out of 8 assignments used, quality = 0.87: QG2 VAL 32 + HA LEU 6 OK 67 96 - 70 - 10154=35, 10337/3.0=15...(13) QD1 LEU 57 + HA LEU 6 OK 44 99 - 45 - 2643/3.0=9, 3.1/10372=8...(13) QD2 LEU 103 + HA LEU 6 OK 19 100 - 19 - ~10231=8, 10229/3.0=3...(4) QD2 LEU 38 + HA LEU 6 OK 10 100 - 10 - ~10231=5, 12071/3.0=2 QD1 LEU 70 - HA LEU 6 lone 7 96 - 7 - 3.1/8234=2 QG2 ILE 15 - HA LEU 6 lone 5 81 - 6 - 3.0/191=2 QD2 LEU 2 - HA LEU 6 lone 5 77 - 6 - 6080/3.6=1 QD2 LEU 70 - HA LEU 6 lone 5 73 - 6 - 3.1/8234=2 Peak 10231 from cnoeabs.peaks (0.85, 1.65, 44.10 ppm; 4.04 A): 0 out of 3 assignments used, low quality = 0.16: QD1 LEU 103 - HB3 LEU 6 OK 16 84 - 19 - ~10229=4, ~10230=2...(8) QD1 LEU 38 - HB3 LEU 6 lone 9 94 - 9 - 2.1/12071=3, ~10229=2, ~10230=1 QD2 LEU 64 - HB3 LEU 6 lone 9 90 - 9 - 2.1/10243=2, ~9474=1...(4) Peak 10232 from cnoeabs.peaks (9.10, 0.69, 24.21 ppm; 4.15 A): 2 out of 2 assignments used, quality = 0.75: H ARG 30 + QD2 LEU 6 OK 69 100 - 69 - 8698/4.0=27, 4.0/8718=11...(15) H VAL 83 + QD2 LEU 6 OK 22 73 - 29 - 9803=4, 4.0/9807=3...(10) Peak 10233 from cnoeabs.peaks (2.60, 1.78, 29.93 ppm; 4.04 A): 1 out of 1 assignment used, quality = 0.89: HB VAL 58 + HB3 GLU 63 OK 89 100 - 89 - 10236/1.8=28...(20) Peak 10234 from cnoeabs.peaks (2.91, 2.29, 36.00 ppm; 4.21 A): 3 out of 20 assignments used, quality = 0.53: HB2 ASN 60 + HG2 GLU 63 OK 26 61 - 42 - 3.5/9426=14, 3.5/9431=11...(7) HE3 LYS 66 + HG2 GLU 63 OK 23 92 - 25 - 12318/3.8=4, 9455/4.8=4...(9) HE2 LYS 66 + HG2 GLU 63 OK 18 73 - 25 - 12318/3.8=4, 9455/4.8=4...(9) HE2 LYS 20 - HG3 GLU 16 lone 10 98 - 10 - 10530/3.0=3, ~10530=2, 927/4.1=1 HE3 LYS 20 - HG3 GLU 16 lone 10 98 - 10 - 10530/3.0=3, ~10530=2, 927/4.1=1 HB2 ASN 60 - HG3 GLU 16 lone 6 58 - 10 - 3.5/9426=3, 4.0/9412=2 HE3 LYS 68 - HG2 GLU 63 lone 3 100 - 3 - HE2 LYS 68 - HG2 GLU 63 lone 3 100 - 3 - HE3 LYS 66 - HG3 GLU 16 lone 3 88 - 3 - HE3 LYS 94 - HG3 GLU 16 lone 3 98 - 3 - HE3 LYS 68 - HG3 GLU 16 lone 2 97 - 2 - HE2 LYS 68 - HG3 GLU 16 lone 2 98 - 2 - HE2 LYS 66 - HG3 GLU 16 lone 2 69 - 3 - HB2 ASN 10 - HG3 GLU 16 lone 2 65 - 3 - HE2 LYS 20 - HG2 GLU 63 lone 2 100 - 2 - HE3 LYS 94 - HG2 GLU 63 lone 2 100 - 2 - HE3 LYS 20 - HG2 GLU 63 lone 2 100 - 2 - HE2 LYS 94 - HG3 GLU 16 lone 2 90 - 2 - HB2 ASN 10 - HG2 GLU 63 lone 1 70 - 2 - HE2 LYS 94 - HG2 GLU 63 lone 1 94 - 1 - Peak 10235 from cnoeabs.peaks (2.61, 3.91, 58.27 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.80: HB VAL 58 + HA GLU 63 OK 70 77 - 91 - 10236/3.0=25...(19) HG3 MET 74 + HA GLU 63 OK 31 92 - 34 - 10236/3.0=6, 1.8/2767=6...(10) Peak 10236 from cnoeabs.peaks (2.60, 2.20, 29.93 ppm; 4.25 A): 2 out of 2 assignments used, quality = 0.93: HB VAL 58 + HB2 GLU 63 OK 91 98 - 93 - 10233/1.8=40, 10700=21...(21) HG3 MET 74 + HB2 GLU 63 OK 21 61 - 34 - 10235/3.0=7, 1.8/2777=5...(12) Peak 10240 from cnoeabs.peaks (4.07, 3.91, 58.27 ppm; 4.21 A): 3 out of 5 assignments used, quality = 0.80: HA LYS 66 + HA GLU 63 OK 72 92 - 79 - 3.0/2771=25, 3.0/2884=21...(15) HA ARG 46 + HA GLU 63 OK 22 98 - 23 - 2062/3.0=3, 12313/3.6=3...(11) HB2 SER 49 + HA GLU 63 OK 10 92 - 11 - 3.9/2768=4, 2263/3.6=3, ~9051=2 HA LYS 20 - HA GLU 63 lone 4 73 - 6 - 2.9/2769=3 HA GLU 17 - HA GLU 63 lone 3 77 - 3 - Peak 10242 from cnoeabs.peaks (1.64, 0.86, 25.46 ppm; 3.57 A): 6 out of 22 assignments used, quality = 0.82: HG2 LYS 68 + QD2 LEU 64 OK 38 98 - 39 - 12320=14, 10243/2.1=4...(13) HD3 LYS 39 + QD2 LEU 64 OK 28 99 - 28 - 3.0/9479=6, 3.0/9479=6...(8) HD3 LYS 68 + QD2 LEU 64 OK 27 77 - 35 - 3.0/12320=12...(11) HD2 LYS 68 + QD2 LEU 64 OK 25 73 - 35 - 3.0/12320=12...(11) HD2 LYS 39 + QD2 LEU 64 OK 16 65 - 25 - 3.0/9479=6, 3.0/9479=6...(7) HD2 LYS 94 + QD2 LEU 64 OK 10 87 - 12 - 11010/2.1=2, 3.0/10252=1 HB3 LEU 6 - QD2 LEU 64 poor 9 87 - 11 - 10231=6, 10243/2.1=1, ~9474=1 HB3 LEU 6 - QD1 LEU 103 poor 9 44 - 21 - 10231=10, ~10229=3...(6) HB2 LYS 40 - QD2 LEU 64 lone 8 92 - 9 - HG2 LYS 68 - QD1 LEU 103 poor 7 55 - 13 - 12320=4, 10268/3.9=3 HD3 LYS 39 - QD1 LEU 103 poor 6 56 - 11 - 10563/3.9=3, 6.0/6602=3...(4) HB3 ARG 79 - QD2 LEU 64 lone 5 65 - 8 - ~9486=3, 10243/2.1=2 HB ILE 76 - QD2 LEU 64 lone 5 96 - 5 - 10289/10906=2 HD3 LYS 68 - QD1 LEU 103 lone 4 38 - 10 - 3.0/12320=4, ~10263=1 HG3 LYS 47 - QD2 LEU 64 lone 4 81 - 4 - HD2 LYS 68 - QD1 LEU 103 lone 3 36 - 9 - 3.0/12320=4, ~10263=1 HB3 ARG 79 - QD1 LEU 103 lone 3 31 - 9 - HD2 LYS 94 - QD1 LEU 103 lone 3 44 - 6 - 11009/2.1=1 HD2 LYS 39 - QD1 LEU 103 lone 2 31 - 8 - 6.0/6602=3, 3.0/9479=1 HB2 LYS 40 - QD1 LEU 103 lone 2 48 - 4 - HB ILE 76 - QD1 LEU 103 lone 1 52 - 2 - HG3 LYS 47 - QD1 LEU 103 lone 0 40 - 1 - Peak 10243 from cnoeabs.peaks (1.65, 0.74, 24.36 ppm; 3.76 A): 7 out of 11 assignments used, quality = 0.93: HG2 LYS 68 + QD1 LEU 64 OK 48 97 - 50 - 12320/2.1=15...(16) HD3 LYS 68 + QD1 LEU 64 OK 44 100 - 44 - ~12320=9, 10264=6...(15) HD2 LYS 68 + QD1 LEU 64 OK 43 100 - 44 - ~12320=9, 10264=6...(15) HB3 ARG 79 + QD1 LEU 64 OK 21 99 - 22 - 4.6/10754=7, 3.0/9486=6...(4) HD2 LYS 39 + QD1 LEU 64 OK 21 99 - 22 - ~9479=4, ~9485=3...(7) HD3 LYS 39 + QD1 LEU 64 OK 21 96 - 22 - ~9479=4, ~9485=3...(7) HB3 LEU 6 + QD1 LEU 64 OK 15 100 - 14 - 10231/2.1=8, ~9474=1, ~9477=1 HB2 LYS 40 - QD1 LEU 64 lone 8 100 - 8 - HB ILE 76 - QD1 LEU 64 lone 4 99 - 5 - HD3 LYS 73 - QD1 LEU 64 lone 3 73 - 4 - HD2 LYS 73 - QD1 LEU 64 lone 3 65 - 4 - Peak 10244 from cnoeabs.peaks (3.69, 0.74, 24.36 ppm; 3.44 A): 1 out of 4 assignments used, quality = 0.69: HB THR 80 + QD1 LEU 64 OK 69 97 - 71 - 2.1/10762=27, 9724=16...(13) HA LEU 14 - QD1 LEU 64 poor 10 99 - 10 - 3571/10762=2...(3) HA LYS 90 - QD1 LEU 64 lone 5 70 - 7 - 10246/2.1=1, 3571/10762=1 HA LEU 42 - QD1 LEU 64 lone 1 65 - 2 - Peak 10245 from cnoeabs.peaks (3.66, 1.48, 27.00 ppm; 4.61 A): 3 out of 4 assignments used, quality = 0.61: HB THR 80 + HG LEU 64 OK 49 73 - 67 - ~10762=25, ~10756=16...(11) HA LYS 90 + HG LEU 64 OK 13 98 - 13 - 4.8/12228=3, 10246/2.1=2...(5) HA GLU 88 + HG LEU 64 OK 11 99 - 11 - 3870=2, 3870/3.0=2 HA LEU 14 - HG LEU 64 lone 5 61 - 9 - 10246/2.1=2, ~6192=2 Peak 10246 from cnoeabs.peaks (3.68, 0.86, 25.46 ppm; 4.78 A): 4 out of 8 assignments used, quality = 0.88: HB THR 80 + QD2 LEU 64 OK 82 100 - 82 - 10244/2.1=34, ~10762=27...(15) HA LEU 14 + QD2 LEU 64 OK 15 99 - 15 - 10244/2.1=5, 4.3/10252=2...(4) HA LYS 90 + QD2 LEU 64 OK 11 96 - 12 - 10245/2.1=4, 10244/2.1=2 HB THR 80 + QD1 LEU 103 OK 11 58 - 20 - 9723/2.1=6, 10244/2847=3...(6) HA GLU 88 - QD2 LEU 64 lone 5 65 - 8 - 10245/2.1=4, 3870/3.1=1 HA LYS 90 - QD1 LEU 103 lone 5 52 - 9 - 3916/2.1=2, 3916/3.1=2, ~3929=1 HA LEU 14 - QD1 LEU 103 lone 4 56 - 7 - HA GLU 88 - QD1 LEU 103 lone 1 31 - 2 - Peak 10247 from cnoeabs.peaks (8.73, 0.86, 25.46 ppm; 4.38 A): 2 out of 2 assignments used, quality = 0.73: H LYS 82 + QD2 LEU 64 OK 68 96 - 71 - 10939=25, 10248/2.1=19...(13) H LYS 82 + QD1 LEU 103 OK 16 52 - 32 - 10939=10, 4.0/9756=6...(10) Peak 10248 from cnoeabs.peaks (8.74, 0.74, 24.36 ppm; 3.70 A): 2 out of 2 assignments used, quality = 0.63: H ARG 81 + QD1 LEU 64 OK 39 57 - 68 - 4.2/10762=17...(16) H LYS 82 + QD1 LEU 64 OK 39 70 - 55 - 10247/2.1=18...(12) Peak 10249 from cnoeabs.peaks (8.19, 3.75, 58.94 ppm; 4.88 A): 3 out of 3 assignments used, quality = 0.92: H LYS 68 + HA LEU 64 OK 89 100 - 89 - 7099=50, 3.6/2981=39...(12) H ASP 36 + HA LEU 64 OK 15 100 - 15 - 10773/3.6=4, 7078/7063=2...(6) H GLU 43 + HA LEU 64 OK 15 99 - 15 - 10773/3.6=4, 2985/2981=3...(4) Peak 10250 from cnoeabs.peaks (8.39, 2.11, 41.70 ppm; 5.90 A): 2 out of 2 assignments used, quality = 0.91: H GLU 62 + HB2 LEU 64 OK 71 90 - 79 - 7027/3.9=34...(10) H GLU 63 + HB2 LEU 64 OK 70 92 - 76 - 7029/3.9=43, 7045/4.6=34...(10) Peak 10251 from cnoeabs.peaks (8.40, 1.49, 41.70 ppm; 5.40 A): 3 out of 3 assignments used, quality = 0.94: H GLU 62 + HB3 LEU 64 OK 80 98 - 82 - 7027/3.9=35...(11) H GLU 63 + HB3 LEU 64 OK 57 77 - 74 - 7029/3.9=34, 7045/4.6=25...(10) H THR 80 + HB3 LEU 64 OK 31 70 - 45 - ~10756=19, 4.0/10761=11...(6) Peak 10252 from cnoeabs.peaks (1.34, 0.86, 25.46 ppm; 3.52 A): 5 out of 22 assignments used, quality = 0.94: HB2 LYS 82 + QD2 LEU 64 OK 61 100 - 62 - 9756=15, 4.0/10247=13...(15) QB ALA 67 + QD2 LEU 64 OK 43 98 - 44 - 2981/4.0=19, 10785/4.9=9...(12) HG3 LYS 68 + QD2 LEU 64 OK 39 98 - 40 - 1.8/12320=14...(13) QB ALA 25 + QD2 LEU 64 OK 36 99 - 36 - 8621/2.1=6, 2.9/2834=4...(14) HG2 LYS 39 + QD2 LEU 64 OK 29 100 - 29 - 3.5/9479=5, 3.5/9479=5...(9) HG LEU 14 - QD2 LEU 64 OK 25 97 - 26 - ~9477=3, ~9474=3...(12) HB3 LEU 27 - QD2 LEU 64 OK 19 100 - 19 - 10254/2.1=3, 3.1/2840=1...(6) HB2 LYS 82 - QD1 LEU 103 OK 17 58 - 30 - 9756=7, 1.8/9758=4...(11) HB3 LEU 2 - QD1 LEU 103 OK 13 48 - 27 - 64/3.1=2, ~4501=2...(13) HG2 LYS 94 - QD2 LEU 64 OK 12 99 - 12 - 10254/2.1=2, 12252/3.1=1 QB ALA 89 - QD2 LEU 64 OK 12 99 - 12 - 9938/4.5=2, 10254/2.1=2...(4) HG3 LYS 40 - QD2 LEU 64 lone 7 73 - 10 - 2.9/10242=1 QB ALA 67 - QD1 LEU 103 poor 7 55 - 12 - 9526/2.1=3, 2981/2805=2...(4) HG2 LYS 39 - QD1 LEU 103 poor 7 58 - 11 - 5.2/6602=3, 10562/3.9=2 HG3 LYS 68 - QD1 LEU 103 poor 6 55 - 12 - 1.8/12320=4, 10267/3.9=2 HB3 LEU 2 - QD2 LEU 64 lone 4 92 - 5 - 10254/2.1=1 QB ALA 25 - QD1 LEU 103 lone 4 57 - 6 - HG2 LYS 94 - QD1 LEU 103 lone 3 57 - 6 - HB3 LEU 27 - QD1 LEU 103 lone 3 58 - 6 - HG LEU 14 - QD1 LEU 103 lone 3 53 - 6 - QB ALA 89 - QD1 LEU 103 lone 1 57 - 2 - HG3 LYS 40 - QD1 LEU 103 lone 1 36 - 3 - Peak 10253 from cnoeabs.peaks (1.77, 0.86, 25.46 ppm; 4.01 A): 4 out of 14 assignments used, quality = 0.96: HB3 LYS 82 + QD2 LEU 64 OK 71 99 - 72 - 4.0/10247=17...(19) HB2 LYS 66 + QD2 LEU 64 OK 56 100 - 56 - 3.0/9513=8, 10776/4.9=8...(20) HB VAL 78 + QD2 LEU 64 OK 52 90 - 59 - 2.1/10906=34...(13) HB3 GLU 63 + QD2 LEU 64 OK 33 94 - 35 - 4.6/7039=12, 10255/2.1=5...(8) HB3 LYS 82 - QD1 LEU 103 OK 20 56 - 36 - 1.8/9756=8, 9758=7...(11) HB ILE 56 - QD2 LEU 64 OK 15 98 - 15 - 10255/2.1=3...(7) HG3 ARG 19 - QD2 LEU 64 lone 7 94 - 7 - HB2 LYS 66 - QD1 LEU 103 poor 6 57 - 10 - 3.0/9513=2, 10776/7052=1 HB ILE 56 - QD1 LEU 103 poor 6 55 - 10 - ~10674=2 HB3 GLU 63 - QD1 LEU 103 lone 5 50 - 9 - 4.6/7039=5 HB VAL 78 - QD1 LEU 103 lone 5 47 - 10 - 2.1/10906=5 HG3 ARG 19 - QD1 LEU 103 lone 4 50 - 7 - HG3 ARG 46 - QD2 LEU 64 lone 4 65 - 6 - HG3 ARG 46 - QD1 LEU 103 lone 1 31 - 3 - Peak 10254 from cnoeabs.peaks (1.34, 0.74, 24.36 ppm; 3.35 A): 5 out of 10 assignments used, quality = 0.91: HB2 LYS 82 + QD1 LEU 64 OK 53 99 - 54 - 3.0/9486=13, 9756/2.1=12...(14) QB ALA 67 + QD1 LEU 64 OK 42 100 - 42 - 2981/4.0=18, 10785/4.9=9...(11) HG3 LYS 68 + QD1 LEU 64 OK 37 90 - 42 - ~12320=9, 1.8/10243=6...(15) QB ALA 25 + QD1 LEU 64 OK 34 100 - 34 - 8621=6, 2.9/2842=5...(12) HG LEU 14 + QD1 LEU 64 OK 22 87 - 25 - ~9477=3, ~9474=3...(12) HB3 LEU 27 - QD1 LEU 64 OK 20 98 - 20 - 1201=2, 10252/2.1=2...(6) HG2 LYS 39 - QD1 LEU 64 OK 15 97 - 16 - 10252/2.1=2, 3.0/10243=2...(4) HG2 LYS 94 - QD1 LEU 64 OK 13 100 - 13 - 3.0/11010=1, 12252/3.1=1 QB ALA 89 - QD1 LEU 64 OK 12 100 - 12 - 9938/4.5=2, ~12228=1...(4) HB3 LEU 2 - QD1 LEU 64 lone 8 99 - 8 - 8047/10756=2 Peak 10255 from cnoeabs.peaks (1.77, 0.74, 24.36 ppm; 4.18 A): 4 out of 7 assignments used, quality = 0.96: HB3 LYS 82 + QD1 LEU 64 OK 66 94 - 70 - 3.0/9486=20, 9758/2.1=15...(15) HB VAL 78 + QD1 LEU 64 OK 61 97 - 63 - ~10906=23, 10287/2.1=8...(16) HB2 LYS 66 + QD1 LEU 64 OK 58 97 - 61 - 10776/4.9=8, 10253/2.1=7...(23) HB3 GLU 63 + QD1 LEU 64 OK 35 99 - 36 - 4.6/7040=10, 10759/4.0=5...(8) HB ILE 56 - QD1 LEU 64 OK 19 92 - 21 - 9302/10756=5...(8) HG3 ARG 19 - QD1 LEU 64 lone 7 84 - 8 - HG3 ARG 46 - QD1 LEU 64 lone 4 81 - 4 - Peak 10256 from cnoeabs.peaks (0.97, 1.64, 25.26 ppm; 4.29 A): 3 out of 3 assignments used, quality = 0.89: QG2 THR 80 + HG2 LYS 68 OK 80 98 - 82 - 2.1/10788=20...(21) HG LEU 55 + HG2 LYS 68 OK 30 92 - 32 - 12321/1.8=7, 10260/4.0=5...(10) QG2 VAL 83 + HG2 LYS 68 OK 21 90 - 23 - 12321/1.8=6, 10260/4.0=4...(6) Peak 10258 from cnoeabs.peaks (0.97, 1.87, 32.18 ppm; 5.23 A): 3 out of 12 assignments used, quality = 0.93: QG2 THR 80 + HB3 LYS 68 OK 81 90 - 90 - 10256/2.9=25...(20) HG LEU 55 + HB3 LYS 68 OK 45 99 - 45 - 10256/2.9=10, 8510/3.0=9...(10) QG2 VAL 83 + HB3 LYS 68 OK 34 98 - 34 - 12321/2.9=7, 8510/3.0=7...(7) QG2 THR 80 - HB3 LYS 39 OK 16 53 - 31 - 12321/3.0=4, 10195/3.0=3...(11) QG2 VAL 83 - HB3 LYS 39 OK 11 61 - 18 - 9816/1.8=4, 12321/3.0=3...(6) QG2 THR 80 - HB3 LYS 12 OK 11 66 - 16 - ~9718=2, 9731/1.8=2...(7) QG2 THR 80 - HB2 LYS 12 poor 9 56 - 16 - ~9718=2, 9731/1.8=2...(7) HG LEU 55 - HB3 LYS 39 lone 5 63 - 8 - 12321/3.0=1, 10256/3024=1 QG2 VAL 83 - HB3 LYS 12 lone 5 76 - 6 - 9827/4.8=1 QG2 VAL 83 - HB2 LYS 12 lone 4 65 - 6 - 9827/4.8=1 HG LEU 55 - HB3 LYS 12 lone 4 77 - 5 - HG LEU 55 - HB2 LYS 12 lone 3 66 - 4 - Peak 10259 from cnoeabs.peaks (0.98, 1.84, 32.18 ppm; 5.01 A): 3 out of 4 assignments used, quality = 0.94: QG2 THR 80 + HB2 LYS 68 OK 86 100 - 86 - 9529/4.0=23...(18) QG2 THR 80 + HB3 LYS 90 OK 42 92 - 45 - 9941/4.1=11, 3571/3.0=5...(12) HG LEU 55 + HB2 LYS 68 OK 24 61 - 38 - 10256/2.9=8, 9529/4.0=7...(10) HG LEU 55 - HB3 LYS 90 poor 6 52 - 11 - ~9267=2, 9941/4.1=1, ~10666=1 Peak 10260 from cnoeabs.peaks (0.97, 3.81, 59.95 ppm; 4.08 A): 4 out of 6 assignments used, quality = 0.82: QG2 THR 80 + HA LYS 68 OK 59 90 - 66 - 9529/2.9=18...(15) HG LEU 55 + HA LYS 68 OK 28 99 - 28 - 9529/2.9=6, 10256/4.0=5...(8) QG2 VAL 83 + HA LYS 68 OK 22 98 - 22 - 9529/2.9=5, 9534/3.6=4...(6) QG2 THR 80 + HA ARG 19 OK 21 82 - 25 - 10915/3.0=12, ~11120=5...(5) QG2 VAL 83 - HA ARG 19 lone 8 92 - 8 - ~9814=2, 9815/3.0=2, 9779/6321=1 HG LEU 55 - HA ARG 19 lone 3 93 - 3 - Peak 10261 from cnoeabs.peaks (0.98, 1.65, 29.52 ppm; 5.39 A): 2 out of 6 assignments used, quality = 0.99: QG2 THR 80 + HD2 LYS 68 OK 90 100 - 90 - 10256/3.0=23...(23) QG2 THR 80 + HD3 LYS 68 OK 89 100 - 90 - 10256/3.0=23...(23) QG2 THR 80 - HD2 LYS 39 OK 38 93 - 41 - ~9717=7, ~9720=6...(13) HG LEU 55 - HD2 LYS 68 OK 25 61 - 40 - 10256/3.0=9, 2.1/9252=6...(10) HG LEU 55 - HD3 LYS 68 OK 25 61 - 40 - 10256/3.0=9, 2.1/9252=6...(10) HG LEU 55 - HD2 LYS 39 lone 4 53 - 7 - 2.1/9252=1 Peak 10263 from cnoeabs.peaks (0.84, 1.65, 29.52 ppm; 3.43 A): 0 out of 12 assignments used, low quality = 0.39: QG2 VAL 32 - HD2 LYS 68 OK 12 98 - 12 - 10160=3, 10160/1.8=2...(4) QG2 VAL 32 - HD3 LYS 68 OK 12 98 - 12 - 10160=3, 10160/1.8=2...(4) QD1 LEU 57 - HD2 LYS 68 OK 11 92 - 12 - 9530/5.9=1, 2644/3.5=1 QD1 LEU 57 - HD3 LYS 68 OK 11 91 - 12 - 9530/5.9=1, 2644/3.5=1 QD2 LEU 38 - HD2 LYS 39 poor 7 68 - 10 - 6601/6.0=2, 12071=1, 12071/1.8=1 QG2 VAL 32 - HD2 LYS 39 lone 6 90 - 7 - 10160=1 QD2 LEU 103 - HD2 LYS 68 lone 6 90 - 6 - ~12320=2 QD2 LEU 103 - HD3 LYS 68 lone 6 89 - 6 - ~12320=2 QD2 LEU 38 - HD2 LYS 68 lone 5 77 - 7 - ~12320=2 QD2 LEU 38 - HD3 LYS 68 lone 5 77 - 7 - ~12320=2 QD2 LEU 103 - HD2 LYS 39 lone 4 80 - 4 - QD1 LEU 57 - HD2 LYS 39 lone 3 83 - 3 - Peak 10264 from cnoeabs.peaks (0.75, 1.65, 29.52 ppm; 3.54 A): 8 out of 27 assignments used, quality = 0.95: QD1 LEU 64 + HD2 LYS 68 OK 43 99 - 44 - 10243=8, ~12320=7...(15) QD1 LEU 64 + HD3 LYS 68 OK 43 99 - 44 - 10243=8, ~12320=7...(15) QG1 VAL 78 + HD2 LYS 68 OK 40 100 - 40 - 10289=7, 10351/3.5=6...(14) QG1 VAL 78 + HD3 LYS 68 OK 40 100 - 40 - 10289=7, 10351/3.5=6...(13) QG1 VAL 78 + HD2 LYS 39 OK 20 94 - 21 - 10289=4, 10289/1.8=3...(8) QD1 LEU 64 + HD2 LYS 39 OK 20 91 - 22 - 10243=4, ~9479=3...(8) QG2 ILE 93 + HD2 LYS 39 OK 17 92 - 18 - 10326/3.0=3, 10320/3.0=3...(9) HG13 ILE 93 + HD2 LYS 39 OK 13 93 - 14 - ~10327=3, 4156/3.6=2...(6) QG1 VAL 54 - HD2 LYS 68 poor 8 77 - 10 - 10655=2, 10655/1.8=1 QG1 VAL 54 - HD3 LYS 68 poor 8 77 - 10 - 10655=2, 10655/1.8=1 QG2 ILE 93 - HD2 LYS 68 lone 7 99 - 7 - 10320/3.0=1 QG2 ILE 93 - HD3 LYS 68 lone 7 99 - 7 - 10320/3.0=1 QD2 LEU 27 - HD2 LYS 68 lone 6 70 - 9 - QD2 LEU 27 - HD3 LYS 68 lone 6 69 - 9 - QD2 LEU 27 - HD2 LYS 39 lone 5 61 - 9 - HG13 ILE 15 - HD2 LYS 39 lone 5 87 - 6 - HG13 ILE 93 - HD2 LYS 68 lone 5 100 - 5 - HG13 ILE 93 - HD3 LYS 68 lone 5 100 - 5 - QD1 ILE 15 - HD2 LYS 39 lone 5 74 - 6 - HG13 ILE 15 - HD2 LYS 68 lone 4 96 - 4 - HG13 ILE 15 - HD3 LYS 68 lone 4 95 - 4 - QD1 ILE 15 - HD2 LYS 68 lone 4 84 - 5 - QD1 ILE 15 - HD3 LYS 68 lone 4 83 - 5 - QG1 VAL 54 - HD2 LYS 39 lone 4 68 - 5 - ~10568=2 HG3 ARG 81 - HD2 LYS 68 lone 3 97 - 3 - HG3 ARG 81 - HD3 LYS 68 lone 3 97 - 3 - HG3 ARG 81 - HD2 LYS 39 lone 2 89 - 2 - Peak 10265 from cnoeabs.peaks (0.75, 2.91, 41.80 ppm; 4.41 A): 6 out of 66 assignments used, quality = 0.94: QG2 ILE 93 + HE3 LYS 94 OK 46 98 - 47 - 11010/3.0=10...(14) QD1 LEU 64 + HE3 LYS 68 OK 39 94 - 41 - 9484=8, 10243/3.0=6...(10) QD1 LEU 64 + HE2 LYS 68 OK 38 92 - 41 - 9484=7, 9484/1.8=6...(10) QD1 LEU 64 + HE3 LYS 66 OK 37 71 - 52 - 9484=10, ~9479=9...(18) HG13 ILE 93 + HE3 LYS 94 OK 32 94 - 34 - 11010/3.0=7, ~11010=4...(12) QG1 VAL 78 + HE3 LYS 68 OK 30 99 - 31 - 10351/5.0=6, 10289/3.0=6...(7) QG1 VAL 78 - HE2 LYS 68 OK 30 98 - 31 - 10351/5.0=6, 10289/3.0=6...(7) QD1 LEU 27 - HE3 LYS 94 OK 20 61 - 33 - 11010/3.0=6, 10485/4.8=4...(12) QD1 ILE 93 - HE3 LYS 94 OK 18 58 - 32 - 11010/3.0=5, ~11010=4...(13) QD1 LEU 64 - HE3 LYS 94 OK 15 90 - 16 - 9484=3, 11010/3.0=3...(7) QG2 ILE 93 - HE3 LYS 68 OK 12 100 - 11 - 4.3/7520=2, 10320/3.6=1 QG2 ILE 93 - HE2 LYS 68 OK 10 99 - 10 - 4.3/7520=2, 10320/3.6=1 QG1 VAL 54 - HE3 LYS 68 poor 9 90 - 10 - 10655/3.0=2, 10655/3.0=2 QG2 ILE 93 - HE2 LYS 20 lone 9 96 - 9 - 4.3/7520=2, 10032/6330=1 QG1 VAL 54 - HE2 LYS 68 poor 9 88 - 10 - 10655/3.0=2, 10655/3.0=2 QG2 ILE 93 - HE3 LYS 20 lone 8 92 - 9 - 4.3/7520=2, 10032/6330=1 QD1 ILE 15 - HE3 LYS 66 poor 8 71 - 11 - 8436/7.2=1, ~12319=1...(4) HG13 ILE 15 - HE3 LYS 66 lone 8 79 - 10 - ~12319=1, ~10782=1 QG1 VAL 54 - HE2 LYS 20 lone 7 82 - 8 - ~10206=2, 2501/4.7=1 QD1 ILE 15 - HE2 LYS 20 lone 7 87 - 8 - 8436/7.3=2, 8466/4.7=1 QG1 VAL 54 - HE3 LYS 20 lone 7 78 - 8 - ~10206=2, 2501/4.7=1 HG13 ILE 15 - HE3 LYS 94 lone 6 97 - 7 - 11010/3.0=1, 8450/6.0=1 QD1 ILE 15 - HE3 LYS 94 lone 6 90 - 7 - 11010/3.0=1, 8446/6.0=1 QD1 ILE 15 - HE3 LYS 20 lone 6 82 - 8 - 8436/7.3=2, 8466/4.7=1 QG1 VAL 78 - HE3 LYS 66 lone 6 78 - 8 - 10351/4.7=2, 3492/4.7=2 HG13 ILE 93 - HE3 LYS 68 lone 6 97 - 6 - QD1 LEU 27 - HE3 LYS 68 lone 5 65 - 8 - QD1 LEU 27 - HE2 LYS 68 lone 5 64 - 8 - HG13 ILE 93 - HE2 LYS 68 lone 5 96 - 5 - QD1 ILE 15 - HE3 LYS 68 lone 5 94 - 5 - QD1 ILE 15 - HE2 LYS 68 lone 5 92 - 5 - QG1 VAL 78 - HE3 LYS 94 lone 4 96 - 4 - HG13 ILE 15 - HE3 LYS 68 lone 4 99 - 4 - HG13 ILE 15 - HE2 LYS 68 lone 4 98 - 4 - HG13 ILE 93 - HE2 LYS 20 lone 4 90 - 5 - QD1 LEU 27 - HE3 LYS 66 lone 4 46 - 9 - HG13 ILE 93 - HE3 LYS 20 lone 4 86 - 5 - HG13 ILE 15 - HE2 LYS 20 lone 4 94 - 4 - QD1 LEU 64 - HE2 LYS 20 lone 4 87 - 4 - QD1 LEU 27 - HE2 LYS 20 lone 4 58 - 6 - HG13 ILE 15 - HE3 LYS 20 lone 4 90 - 4 - QG1 VAL 54 - HE3 LYS 94 lone 4 85 - 4 - QD1 LEU 64 - HE3 LYS 20 lone 4 82 - 4 - QD1 LEU 27 - HE3 LYS 20 lone 3 55 - 6 - QD2 LEU 42 - HE3 LYS 68 lone 3 73 - 4 - 1950/7.2=1 QD1 ILE 93 - HE2 LYS 20 lone 3 55 - 6 - QD2 LEU 42 - HE3 LYS 94 lone 3 69 - 4 - 8924/6.0=1 QD2 LEU 42 - HE2 LYS 68 lone 3 71 - 4 - 1950/7.2=1 QD2 LEU 42 - HE2 LYS 20 lone 3 66 - 4 - QD1 ILE 93 - HE3 LYS 68 lone 3 61 - 5 - QD1 ILE 93 - HE3 LYS 20 lone 3 51 - 6 - QD2 LEU 42 - HE3 LYS 20 lone 3 62 - 4 - QG2 ILE 93 - HE3 LYS 66 lone 3 81 - 3 - 4.3/7520=1 QD1 ILE 93 - HE2 LYS 68 lone 3 60 - 4 - QG1 VAL 78 - HE2 LYS 20 lone 2 93 - 2 - QG1 VAL 78 - HE3 LYS 20 lone 2 89 - 2 - QG1 VAL 54 - HE3 LYS 66 lone 2 66 - 3 - ~10651=1 HG3 ARG 81 - HE3 LYS 68 lone 2 90 - 2 - HG3 ARG 81 - HE2 LYS 68 lone 2 88 - 2 - HG3 ARG 81 - HE3 LYS 94 lone 2 85 - 2 - HG13 ILE 93 - HE3 LYS 66 lone 1 75 - 2 - HG3 ARG 81 - HE3 LYS 66 lone 1 66 - 1 - HG3 ARG 81 - HE2 LYS 20 lone 1 82 - 1 - HG3 ARG 81 - HE3 LYS 20 lone 1 78 - 1 - QD2 LEU 42 - HE3 LYS 66 lone 1 52 - 1 - QD1 ILE 93 - HE3 LYS 66 lone 1 43 - 2 - Peak 10266 from cnoeabs.peaks (4.28, 1.65, 29.52 ppm; 3.89 A): 3 out of 6 assignments used, quality = 0.89: HA ASP 36 + HD2 LYS 39 OK 64 90 - 71 - 10560/3.6=22...(14) HA ASP 36 + HD2 LYS 68 OK 44 98 - 45 - 8783=7, 8783/1.8=7...(19) HA ASP 36 + HD3 LYS 68 OK 44 98 - 45 - 8783=7, 8783/1.8=7...(19) HA LEU 103 - HD2 LYS 39 poor 8 57 - 13 - 10560/3.6=3, 8949/6.0=3...(6) HA LEU 103 - HD2 LYS 68 lone 5 65 - 7 - 3.9/10263=2 HA LEU 103 - HD3 LYS 68 lone 5 65 - 7 - 3.9/10263=2 Peak 10267 from cnoeabs.peaks (4.30, 1.35, 25.26 ppm; 4.93 A): 3 out of 8 assignments used, quality = 0.94: HA ASP 65 + HG3 LYS 68 OK 84 96 - 88 - 9500/1.8=31, 2856/2.9=31...(21) HA ASP 36 + HG3 LYS 68 OK 39 73 - 53 - ~3021=8, 10268/1.8=8...(19) HA LEU 103 + HG3 LYS 68 OK 32 99 - 32 - 10268/1.8=7, 2997/2.9=5...(8) HA ASP 36 - HG2 LYS 39 OK 29 37 - 77 - 10563/3.0=23...(20) HA GLU 28 - HG3 LYS 68 OK 27 99 - 28 - 10268/1.8=6, 7100/4.6=5...(7) HA ASP 65 - HG2 LYS 39 OK 18 54 - 32 - 9500/3.0=6, 9502=4...(11) HA LEU 103 - HG2 LYS 39 OK 12 59 - 19 - 10563/3.0=4, 8949/5.2=4...(5) HA GLU 28 - HG2 LYS 39 poor 6 58 - 11 - 3.0/6450=2, 8661/1.8=2 Peak 10268 from cnoeabs.peaks (4.30, 1.64, 25.26 ppm; 5.13 A): 3 out of 4 assignments used, quality = 0.94: HA ASP 65 + HG2 LYS 68 OK 84 96 - 88 - 2856/2.9=32, 2855/4.6=22...(22) HA ASP 36 + HG2 LYS 68 OK 40 73 - 54 - 3.0/3021=12, ~8778=7...(19) HA LEU 103 + HG2 LYS 68 OK 37 99 - 37 - 3.9/12320=6, 2997/2.9=6...(10) HA GLU 28 - HG2 LYS 68 OK 28 99 - 28 - 7100/4.6=6, 2997/2.9=5...(7) Peak 10269 from cnoeabs.peaks (3.19, 3.81, 59.95 ppm; 4.86 A): 4 out of 12 assignments used, quality = 0.95: HD3 ARG 19 + HA ARG 19 OK 68 69 - 98 - 5.4=73, 3.0/818=20...(22) HD2 ARG 19 + HA ARG 19 OK 68 69 - 98 - 5.4=73, 3.0/818=20...(22) HD3 ARG 19 + HA LYS 68 OK 29 77 - 38 - 3.0/818=7, 3.6/790=7...(8) HD2 ARG 19 + HA LYS 68 OK 29 77 - 38 - 3.0/818=7, 3.6/790=7...(8) HD3 ARG 46 - HA LYS 68 OK 11 100 - 10 - 2117/3.0=2, 3.0/2988=1...(4) HB2 ASP 77 - HA ARG 19 poor 9 62 - 15 - 3.9/777=5, ~3467=3...(4) HD3 ARG 46 - HA ARG 19 lone 7 95 - 7 - 6290/3.0=1 HB2 ASP 77 - HA LYS 68 lone 7 70 - 10 - ~9488=2, 10892/3.0=2 HB2 HIS 106 - HA ARG 19 lone 5 90 - 6 - HB3 TRP 92 - HA ARG 19 lone 3 94 - 4 - HB3 TRP 92 - HA LYS 68 lone 3 99 - 3 - HB2 HIS 106 - HA LYS 68 lone 2 97 - 2 - Peak 10270 from cnoeabs.peaks (4.30, 2.91, 41.80 ppm; 4.90 A): 6 out of 24 assignments used, quality = 0.93: HA ASP 65 + HE3 LYS 68 OK 52 87 - 60 - 9500/3.6=20, 2856/5.0=17...(13) HA ASP 65 + HE2 LYS 68 OK 51 85 - 60 - 9500/3.6=20, 2856/5.0=17...(13) HA ASP 36 + HE3 LYS 68 OK 30 87 - 34 - 8783/3.0=6, 10268/3.6=6...(12) HA ASP 36 + HE2 LYS 68 OK 29 85 - 34 - 8783/3.0=6, 10268/3.6=6...(12) HA LEU 103 + HE3 LYS 68 OK 21 100 - 21 - 10268/3.6=6, 10267/3.6=4...(6) HA LEU 103 + HE2 LYS 68 OK 21 99 - 21 - 10268/3.6=6, 10267/3.6=4...(6) HA ASP 65 - HE3 LYS 66 OK 17 64 - 27 - 3.6/7076=8, 2857/4.7=6...(5) HA GLU 28 - HE3 LYS 68 OK 17 94 - 18 - 10268/3.6=4, 10267/3.6=3...(5) HA GLU 28 - HE2 LYS 68 OK 16 92 - 18 - 10268/3.6=4, 10267/3.6=3...(5) HA GLU 28 - HE3 LYS 66 OK 11 71 - 16 - 7065/7.2=3, ~2930=3...(7) HA ASP 65 - HE3 LYS 94 OK 11 83 - 14 - 9500/3.0=4, 3.6/7076=2 HA GLU 28 - HE2 LYS 20 lone 8 87 - 9 - 8661/3.6=2, 1228/7.3=1...(5) HA GLU 28 - HE3 LYS 20 lone 8 82 - 9 - 8661/3.6=2, 1228/7.3=1...(5) HA ASP 65 - HE2 LYS 20 lone 6 79 - 8 - 3.6/7076=2 HA ASP 36 - HE2 LYS 20 lone 6 79 - 8 - HA ASP 65 - HE3 LYS 20 lone 6 75 - 8 - 3.6/7076=2 HA ASP 36 - HE3 LYS 20 lone 6 75 - 8 - HA LEU 103 - HE3 LYS 94 lone 5 98 - 5 - HA GLU 28 - HE3 LYS 94 lone 5 90 - 5 - ~6451=1 HA ASP 36 - HE3 LYS 94 lone 4 83 - 5 - 4.9/12237=1 HA LEU 103 - HE3 LYS 66 lone 4 81 - 5 - 7065/7.2=1 HA ASP 36 - HE3 LYS 66 lone 2 64 - 4 - 4.9/12237=1 HA LEU 103 - HE2 LYS 20 lone 2 96 - 2 - HA LEU 103 - HE3 LYS 20 lone 2 92 - 2 - Peak 10271 from cnoeabs.peaks (0.73, 0.89, 27.84 ppm; 4.13 A): 8 out of 11 assignments used, quality = 0.93: QD1 ILE 8 + HG13 ILE 7 OK 48 65 - 73 - 2.1/310=11, ~8312=10...(24) QD2 LEU 14 + HG13 ILE 7 OK 40 61 - 66 - 12015/1.8=10, ~12014=10...(22) HG13 ILE 56 + HG13 ILE 7 OK 33 84 - 40 - 10273/1.8=5, 1.8/267=4...(16) QG2 VAL 78 + HG13 ILE 7 OK 26 98 - 26 - 10292/1.8=9, ~10290=5...(7) QG1 VAL 58 + HG13 ILE 7 OK 24 97 - 25 - 4.2/272=6, 10273/1.8=3...(8) QG1 VAL 5 + HG13 ILE 7 OK 17 100 - 17 - 4.0/8250=7, 10192/1.8=3...(4) QG1 VAL 78 + HG13 ILE 7 OK 16 65 - 25 - ~10292=7, ~9688=4...(8) QD2 LEU 27 + HG13 ILE 7 OK 10 100 - 10 - 10488/3.9=3, 4.7/8249=1...(4) HG13 ILE 93 - HG13 ILE 7 lone 5 73 - 6 - ~10327=1, 10022/8281=1 HG3 ARG 81 - HG13 ILE 7 lone 1 87 - 2 - QD1 LEU 64 - HG13 ILE 7 lone 1 81 - 2 - Peak 10272 from cnoeabs.peaks (0.71, 0.62, 13.69 ppm; 3.08 A): 7 out of 9 assignments used, quality = 0.94: QD2 LEU 14 + QD1 ILE 7 OK 58 99 - 59 - 12015/2.1=11, 3.1/247=7...(26) QD1 ILE 8 + QD1 ILE 7 OK 54 99 - 55 - 5.0/6092=10, 2.1/278=6...(21) QD1 ILE 56 + QD1 ILE 7 OK 28 98 - 28 - 10273/2.1=3, 2.1/275=3...(12) HG13 ILE 56 + QD1 ILE 7 OK 27 100 - 27 - 10273/2.1=3, 1.8/275=3...(11) QG1 VAL 58 + QD1 ILE 7 OK 21 97 - 22 - 4.2/280=3, 2672/6092=3...(7) QG2 VAL 78 + QD1 ILE 7 OK 16 96 - 16 - 10292/2.1=6, ~10290=3...(5) QG1 VAL 5 + QD1 ILE 7 OK 11 84 - 13 - 4.1/8232=4, 4.0/10377=3 QD2 LEU 27 - QD1 ILE 7 lone 4 73 - 5 - QD1 ILE 52 - QD1 ILE 7 lone 3 61 - 6 - Peak 10273 from cnoeabs.peaks (0.72, 1.42, 27.84 ppm; 3.62 A): 4 out of 8 assignments used, quality = 0.94: QD2 LEU 14 + HG12 ILE 7 OK 66 92 - 71 - 12015=21, 2.1/12014=12...(24) QD1 ILE 8 + HG12 ILE 7 OK 61 94 - 65 - 10272/2.1=10, 2.1/262=9...(24) HG13 ILE 56 + HG12 ILE 7 OK 34 99 - 35 - 10272/2.1=5, 10271/1.8=4...(14) QG2 VAL 78 + HG12 ILE 7 OK 31 100 - 30 - 10292=9, 2.1/10290=7...(8) QD1 ILE 56 - HG12 ILE 7 OK 28 90 - 32 - 10272/2.1=5, 326/1.8=3...(13) QG1 VAL 58 - HG12 ILE 7 OK 23 100 - 23 - 4.2/264=5, 10272/2.1=4...(8) QG1 VAL 5 - HG12 ILE 7 OK 17 96 - 18 - 4.0/8246=6, 10192=3...(5) QD2 LEU 27 - HG12 ILE 7 lone 8 90 - 8 - 10488/3.9=2, 4.7/8248=1 Peak 10274 from cnoeabs.peaks (1.99, 1.72, 41.70 ppm; 5.10 A): 4 out of 9 assignments used, quality = 0.93: HB2 GLU 44 + HB3 LEU 70 OK 55 97 - 57 - ~8981=10, ~10185=10...(17) HB3 GLU 44 + HB3 LEU 70 OK 55 97 - 57 - ~8981=10, ~10185=10...(17) QE MET 74 + HB3 LEU 70 OK 50 96 - 53 - 10282/3.0=16...(10) HB2 GLU 35 + HB3 LEU 70 OK 32 81 - 40 - ~10278=8, 10276/1.8=6...(17) HB2 GLU 37 - HB3 LEU 70 OK 26 73 - 35 - ~11067=5, ~8840=5...(13) HB3 GLU 17 - HB3 LEU 70 OK 12 84 - 14 - 10276/1.8=2, 3.0/10184=2 HB3 MET 1 - HB3 LEU 70 lone 9 94 - 9 - ~8010=2, 10276/1.8=1...(4) HB2 ARG 46 - HB3 LEU 70 lone 4 61 - 7 - ~10815=1 QE MET 1 - HB3 LEU 70 lone 2 70 - 4 - Peak 10275 from cnoeabs.peaks (2.11, 1.72, 41.70 ppm; 4.85 A): 6 out of 11 assignments used, quality = 0.94: HB2 PRO 86 + HB3 LEU 70 OK 43 98 - 44 - ~10278=5, 10277/1.8=5...(23) HB2 GLU 69 + HB3 LEU 70 OK 41 84 - 48 - 4.6/3142=23, ~10816=6...(11) HB3 GLU 69 + HB3 LEU 70 OK 41 84 - 48 - 4.6/3142=23, ~10816=6...(11) HB3 PRO 86 + HB3 LEU 70 OK 37 94 - 40 - ~10277=4, 10277/1.8=3...(24) HG3 GLU 37 + HB3 LEU 70 OK 34 99 - 35 - ~11067=5, 8850/3.1=5...(12) HB3 GLU 37 + HB3 LEU 70 OK 32 87 - 37 - ~8837=5, 8840/3.1=5...(14) HG2 GLU 69 - HB3 LEU 70 OK 26 84 - 31 - 3116/3.9=14, ~10816=5...(8) HB VAL 83 - HB3 LEU 70 OK 19 100 - 19 - ~9828=4, 9804/3.1=3...(6) QE MET 21 - HB3 LEU 70 OK 12 77 - 16 - 8536/4.1=3, 10444=3...(6) HB2 LEU 64 - HB3 LEU 70 OK 11 100 - 11 - 9474/9544=2, ~10813=1...(4) HG3 GLU 104 - HB3 LEU 70 lone 1 73 - 2 - Peak 10276 from cnoeabs.peaks (2.00, 1.37, 41.70 ppm; 5.06 A): 4 out of 7 assignments used, quality = 0.96: QE MET 74 + HB2 LEU 70 OK 61 100 - 61 - 12193=20, 10282/3.0=17...(10) HB2 GLU 44 + HB2 LEU 70 OK 57 100 - 57 - 3.0/10185=13, ~8981=10...(16) HB3 GLU 44 + HB2 LEU 70 OK 57 100 - 57 - 3.0/10185=13, ~8981=10...(16) HB2 GLU 35 + HB2 LEU 70 OK 39 94 - 42 - ~10278=8, 10274/1.8=5...(17) HB3 GLU 17 - HB2 LEU 70 OK 13 96 - 13 - 10274/1.8=2, ~10184=1...(4) HB3 MET 1 - HB2 LEU 70 lone 8 99 - 8 - ~8010=2, 10274/1.8=1, ~8007=1 HB2 GLU 62 - HB2 LEU 70 lone 4 70 - 6 - Peak 10277 from cnoeabs.peaks (2.12, 1.37, 41.70 ppm; 4.87 A): 6 out of 12 assignments used, quality = 0.96: HB2 GLU 69 + HB2 LEU 70 OK 47 94 - 51 - 4.6/3133=22, 3.0/10795=7...(11) HB3 GLU 69 + HB2 LEU 70 OK 47 94 - 51 - 4.6/3133=22, 3.0/10795=7...(11) HB2 PRO 86 + HB2 LEU 70 OK 43 100 - 43 - 10275/1.8=6, ~10278=5...(21) HG2 GLU 44 + HB2 LEU 70 OK 38 70 - 54 - 1.8/10185=14, ~8981=12...(13) HG2 GLU 69 + HB2 LEU 70 OK 37 94 - 40 - 3116/3.9=17, 4.1/10795=6...(11) HB3 GLU 37 + HB2 LEU 70 OK 37 96 - 39 - 8840/3.1=5, 8840/3.1=5...(15) HG3 GLU 37 - HB2 LEU 70 OK 33 96 - 35 - 1.8/11067=5, 10275/1.8=5...(12) HB3 PRO 86 - HB2 LEU 70 OK 32 84 - 38 - 10275/1.8=5, ~10275=4...(20) HB VAL 83 - HB2 LEU 70 OK 19 99 - 19 - ~9828=4, 9804/3.1=3...(5) HB2 GLU 75 - HB2 LEU 70 poor 10 65 - 15 - 2.9/3134=2, ~3143=2...(8) HB2 LEU 64 - HB2 LEU 70 lone 10 99 - 10 - 10275/1.8=1, ~10813=1 QE MET 21 - HB2 LEU 70 poor 8 61 - 12 - 8536/4.1=2, 10444/1.8=2...(4) Peak 10278 from cnoeabs.peaks (2.09, 0.81, 24.20 ppm; 3.97 A): 5 out of 10 assignments used, quality = 0.66: HB3 GLU 35 + QD2 LEU 70 OK 32 92 - 35 - 10527=6, ~9549=4...(17) HB3 PRO 86 + QD2 LEU 70 OK 22 81 - 27 - 2.3/3170=2, ~10275=2...(15) HB3 LEU 38 + QD2 LEU 70 OK 18 65 - 27 - 3.0/9541=4, ~1631=3...(10) HG3 GLU 37 + QD2 LEU 70 OK 14 61 - 24 - 3.0/8840=4, ~11067=3...(12) QE MET 21 + QD2 LEU 70 OK 11 96 - 11 - 10444/3.1=3, 10444/2.1=2 HB2 GLU 16 - QD2 LEU 70 lone 5 77 - 6 - 4.0/6232=2 HB2 GLU 23 - QD2 LEU 70 lone 4 99 - 4 - HB3 GLU 88 - QD2 LEU 70 lone 4 84 - 4 - 4.3/9926=1 HB3 GLU 62 - QD2 LEU 70 lone 3 100 - 3 - HG3 GLU 104 - QD2 LEU 70 lone 2 97 - 2 - Peak 10279 from cnoeabs.peaks (2.07, 3.85, 55.14 ppm; 4.19 A): 2 out of 20 assignments used, quality = 0.68: HB2 MET 74 + HA ALA 71 OK 64 99 - 65 - 2.9/9552=15, 2.9/9551=14...(11) HB2 MET 74 + HA ALA 67 OK 11 52 - 22 - 2.9/9611=4, ~9597=4...(7) HB3 GLU 43 - HA ALA 71 lone 9 100 - 9 - ~4021=1, ~6721=1 HB2 MET 21 - HA ALA 71 poor 7 70 - 10 - 4.3/8541=2, ~8534=2, ~8532=1 HB3 GLU 43 - HA ALA 67 poor 6 53 - 11 - 1970/3.6=4, ~10605=2, 4.0/2977=1 HB3 LEU 38 - HA ALA 71 lone 6 99 - 6 - HB3 GLU 35 - HA ALA 71 lone 6 84 - 7 - 1.8/12173=1 HB2 GLU 16 - HA ALA 71 lone 5 96 - 6 - 4.0/6225=2 HB2 GLU 23 - HA ALA 71 lone 5 61 - 8 - 4.6/10829=2 HB3 GLU 88 - HA ALA 71 lone 4 92 - 4 - 3.9/10829=2 HB3 LEU 38 - HA ALA 67 lone 3 52 - 6 - HB2 MET 21 - HA ALA 67 lone 3 31 - 9 - 4.3/8541=4, ~8557=3, ~8554=1 HB3 GLU 35 - HA ALA 67 lone 2 39 - 5 - 1547/3.6=1 HG2 GLU 28 - HA ALA 71 lone 2 99 - 2 - HG3 GLU 28 - HA ALA 71 lone 2 99 - 2 - HB3 GLU 88 - HA ALA 67 lone 2 45 - 3 - 9916/2.1=1 HB2 GLU 16 - HA ALA 67 lone 1 48 - 3 - HG3 GLU 28 - HA ALA 67 lone 1 53 - 2 - HG2 GLU 28 - HA ALA 67 lone 1 53 - 2 - HB2 GLU 23 - HA ALA 67 lone 1 27 - 3 - Peak 10280 from cnoeabs.peaks (2.32, 2.00, 17.28 ppm; 3.56 A): 2 out of 5 assignments used, quality = 0.56: HB2 TYR 41 + QE MET 74 OK 36 99 - 36 - 4.1/9587=9, 3.0/1880=8...(9) HG3 GLU 43 + QE MET 74 OK 32 100 - 32 - 5.0/9585=7, 3.7/9610=6...(6) HG2 GLU 48 - QE MET 74 lone 6 81 - 8 - 4.9/9589=2, 3.0/3368=1 HG2 GLU 16 - QE MET 74 lone 5 61 - 8 - 4.1/10282=2, 3.0/3368=2 HD3 ARG 81 - QE MET 74 lone 2 90 - 2 - Peak 10282 from cnoeabs.peaks (4.03, 2.00, 17.28 ppm; 4.74 A): 4 out of 4 assignments used, quality = 0.72: HA LEU 70 + QE MET 74 OK 49 92 - 53 - 3.0/9587=14, 3.0/12193=8...(12) HA GLU 95 + QE MET 74 OK 27 97 - 28 - 4279/3.4=5, 4.1/3370=4...(8) HA GLU 16 + QE MET 74 OK 14 77 - 18 - 3.6/3373=3, 3.0/3368=2...(7) HB3 SER 59 + QE MET 74 OK 12 97 - 12 - 4.6/3366=2, 2687/6.0=2...(5) Peak 10283 from cnoeabs.peaks (1.81, 0.80, 13.65 ppm; 3.75 A): 4 out of 8 assignments used, quality = 0.94: HG2 ARG 46 + QD1 ILE 76 OK 67 90 - 75 - 3.0/10882=18, ~10176=11...(23) HB2 LEU 42 + QD1 ILE 76 OK 59 97 - 61 - 1.8/10286=12...(17) HB2 LYS 39 + QD1 ILE 76 OK 38 73 - 53 - 3.0/10569=7, 8956=7...(19) HB2 LYS 90 + QD1 ILE 76 OK 25 100 - 25 - ~9958=4, 4.1/9630=3...(8) HB3 LEU 57 - QD1 ILE 76 OK 25 92 - 27 - 12134/2.1=3, 2622=3...(8) HB2 GLU 88 - QD1 ILE 76 OK 17 99 - 17 - ~9958=5, 3.9/3449=3...(5) HB ILE 93 - QD1 ILE 76 OK 10 90 - 11 - 4.4/10887=2, 9666/2.1=1...(5) HB2 GLU 104 - QD1 ILE 76 lone 4 99 - 4 - Peak 10284 from cnoeabs.peaks (1.83, 1.44, 26.75 ppm; 4.44 A): 4 out of 16 assignments used, quality = 0.93: HG2 ARG 46 + HG13 ILE 76 OK 80 100 - 80 - ~10882=18, ~10176=17...(20) HB2 LYS 68 + HG LEU 29 OK 32 73 - 44 - ~8685=7, ~8688=7...(15) HB3 LYS 90 + HG13 ILE 76 OK 28 98 - 29 - ~9958=7, 2.8/10285=5...(7) HB3 LEU 57 + HG13 ILE 76 OK 26 99 - 26 - 2622/2.1=3, 12134=3...(12) HB2 LYS 90 - HG13 ILE 76 OK 19 73 - 26 - ~9958=7, 2.8/10285=5...(6) HB2 LYS 68 - HG13 ILE 76 OK 18 92 - 19 - 2.9/3443=2, ~3451=2...(8) HB2 LYS 53 - HG13 ILE 76 OK 16 84 - 19 - ~9636=13, ~9199=2, 10892/9674=1 HB3 LYS 90 - HG LEU 29 OK 12 80 - 15 - 2.8/10285=4, 8671/2.1=1...(6) HB2 GLU 88 - HG13 ILE 76 OK 11 61 - 17 - ~9958=7, 3.9/3441=4, 10283/2.1=2 HB3 LEU 57 - HG LEU 29 poor 9 83 - 11 - ~8672=1, 12134=1, ~10501=1 HB2 LYS 90 - HG LEU 29 poor 8 55 - 15 - 2.8/10285=4, ~8671=2...(4) HB2 LYS 53 - HG LEU 29 poor 8 65 - 12 - ~9200=5, 8671/2.1=2, 3.9/1287=1 HG2 ARG 46 - HG LEU 29 lone 4 84 - 5 - HB2 GLU 104 - HG13 ILE 76 lone 1 61 - 2 - HB2 GLU 104 - HG LEU 29 lone 1 45 - 2 - HB2 GLU 88 - HG LEU 29 lone 1 45 - 2 - Peak 10285 from cnoeabs.peaks (1.29, 1.44, 26.75 ppm; 4.24 A): 6 out of 8 assignments used, quality = 0.84: HB3 LEU 42 + HG13 ILE 76 OK 48 77 - 63 - 10883/3.2=13, 1.8/8915=9...(14) HG2 ARG 30 + HG LEU 29 OK 28 80 - 35 - 4.9/1294=10, 8665/5.0=5...(12) HG2 LYS 90 + HG13 ILE 76 OK 23 100 - 23 - 10883/3.2=6, 2.8/10284=3...(7) HG LEU 3 + HG LEU 29 OK 23 70 - 33 - ~10141=6, ~1305=4...(11) HG2 LYS 90 + HG LEU 29 OK 17 84 - 20 - 8665/5.0=2, 3951/3.0=2...(9) HG2 ARG 30 + HG13 ILE 76 OK 14 98 - 15 - 10883/3.2=4, 4.9/1294=2...(5) HG LEU 3 - HG13 ILE 76 lone 7 90 - 8 - 10883/3.2=3, 10884/3.0=1 HB3 LEU 42 - HG LEU 29 lone 5 59 - 9 - 8665/5.0=2, 1.8/8915=1, 8918=1 Peak 10286 from cnoeabs.peaks (1.32, 0.80, 13.65 ppm; 3.94 A): 2 out of 6 assignments used, quality = 0.61: HB3 LEU 2 + QD1 ILE 76 OK 41 84 - 49 - 3.1/3452=7, 4.0/10888=5...(20) HB3 LEU 42 + QD1 ILE 76 OK 35 70 - 50 - 3.0/10878=12...(12) QB ALA 89 - QD1 ILE 76 poor 9 61 - 15 - 2.1/9929=5, 3.6/9630=4...(4) QB ALA 67 - QD1 ILE 76 poor 7 70 - 10 - 2.1/9668=2, ~10837=2...(4) HG2 LYS 94 - QD1 ILE 76 poor 7 61 - 11 - 4.9/10887=2, 3.7/9668=2 QB ALA 25 - QD1 ILE 76 lone 5 61 - 8 - 2.1/3450=1 Peak 10287 from cnoeabs.peaks (0.87, 1.78, 35.29 ppm; 4.68 A): 5 out of 7 assignments used, quality = 0.91: QG2 ILE 76 + HB VAL 78 OK 65 94 - 69 - 9635/3.0=27, 9655=13...(13) QD2 LEU 64 + HB VAL 78 OK 53 87 - 61 - 10906/2.1=29...(12) HG13 ILE 7 + HB VAL 78 OK 21 61 - 34 - ~10292=8, ~10290=6...(9) HG13 ILE 8 + HB VAL 78 OK 19 84 - 23 - 2.9/10349=6, 10898/3.8=3...(8) QD1 LEU 2 + HB VAL 78 OK 13 96 - 13 - 84/4.4=4, 10898/3.8=2...(4) QD1 LEU 38 - HB VAL 78 poor 9 81 - 11 - 10906/2.1=4, 10898/3.8=2 QD1 LEU 103 - HB VAL 78 lone 9 92 - 9 - 10906/2.1=4, 10898/3.8=1 Peak 10288 from cnoeabs.peaks (0.98, 1.78, 35.29 ppm; 5.20 A): 2 out of 2 assignments used, quality = 0.49: QG2 THR 80 + HB VAL 78 OK 41 100 - 41 - 9707/4.4=16, ~8179=7...(10) HG LEU 55 + HB VAL 78 OK 13 61 - 21 - ~8196=5, ~8195=4...(6) Peak 10289 from cnoeabs.peaks (1.65, 0.74, 21.24 ppm; 3.59 A): 7 out of 9 assignments used, quality = 0.93: HG2 LYS 68 + QG1 VAL 78 OK 40 100 - 41 - 2.9/10351=8, 4.0/10904=7...(14) HB ILE 76 + QG1 VAL 78 OK 40 100 - 40 - ~9635=10, 3.0/10290=5...(11) HD3 LYS 68 + QG1 VAL 78 OK 36 98 - 37 - 3.5/10351=7, 10264=6...(13) HD2 LYS 68 + QG1 VAL 78 OK 35 97 - 37 - 3.5/10351=7, 10264=6...(14) HB3 ARG 79 + QG1 VAL 78 OK 34 94 - 36 - 4.1/3495=12...(11) HD3 LYS 39 + QG1 VAL 78 OK 19 99 - 19 - 1.8/10264=2, 10291/2.1=2...(8) HD2 LYS 39 + QG1 VAL 78 OK 18 94 - 19 - 10264=3, ~9690=2...(7) HB3 LEU 6 - QG1 VAL 78 lone 9 100 - 9 - 10231/10906=2...(4) HB2 LYS 40 - QG1 VAL 78 lone 3 100 - 3 - Peak 10290 from cnoeabs.peaks (1.42, 0.74, 21.24 ppm; 2.88 A): 3 out of 6 assignments used, quality = 0.64: QB ALA 71 + QG1 VAL 78 OK 50 92 - 55 - 10292/2.1=18, 9553=14...(9) HG13 ILE 76 + QG1 VAL 78 OK 15 73 - 21 - ~9635=4, 3.0/10289=3...(9) HG12 ILE 7 + QG1 VAL 78 OK 15 99 - 15 - 10292/2.1=6, 9688/3.2=2...(5) QB ALA 22 - QG1 VAL 78 lone 7 77 - 9 - 2.1/10904=2, ~9687=1, ~10905=1 HG LEU 29 - QG1 VAL 78 lone 4 77 - 5 - HG2 LYS 13 - QG1 VAL 78 lone 3 92 - 3 - Peak 10291 from cnoeabs.peaks (1.64, 0.72, 21.10 ppm; 3.61 A): 9 out of 22 assignments used, quality = 0.92: HB ILE 76 + QG2 VAL 78 OK 41 99 - 41 - ~9635=11, 10289/2.1=6...(12) HG2 LYS 68 + QG2 VAL 78 OK 31 100 - 32 - 10289/2.1=6, 4.0/10905=5...(10) HB3 ARG 79 + QG2 VAL 78 OK 26 81 - 33 - 4.1/3489=10, ~10900=6...(13) HD3 LYS 68 + QG2 VAL 78 OK 25 90 - 28 - 10289/2.1=5, 3.5/10350=4...(8) HD2 LYS 68 + QG2 VAL 78 OK 24 87 - 28 - 10289/2.1=5, 3.5/10350=4...(8) HB3 LEU 6 + QG1 VAL 5 OK 23 59 - 40 - 8222/3.2=12, 6065/4.1=9...(9) HD3 LYS 39 + QG2 VAL 78 OK 17 100 - 17 - 10289/2.1=3, 9690/3.2=2...(6) HD2 LYS 39 + QG2 VAL 78 OK 12 81 - 15 - 10289/2.1=3, ~9690=2...(5) HG2 LYS 68 + QG1 VAL 5 OK 11 65 - 17 - 3024/2.1=2, 2.9/10567=2...(7) HB3 LEU 6 - QG2 VAL 78 lone 9 96 - 10 - 4.0/6061=2, 10289/2.1=1 HD3 LYS 39 - QG1 VAL 5 poor 8 65 - 12 - 1738/2.1=2, ~10193=2 HD3 LYS 68 - QG1 VAL 5 poor 7 53 - 13 - 6065/4.1=1, 3.5/10567=1...(4) HD2 LYS 68 - QG1 VAL 5 poor 7 51 - 13 - 6065/4.1=1, 3.5/10567=1...(4) HD2 LYS 39 - QG1 VAL 5 poor 5 46 - 10 - ~10193=2, ~1738=1 HB3 ARG 79 - QG1 VAL 5 poor 5 46 - 10 - 4.1/7286=2, 6065/4.1=2 HB ILE 76 - QG1 VAL 5 lone 4 64 - 6 - 6065/4.1=1 HB2 LYS 40 - QG2 VAL 78 lone 3 98 - 3 - HD2 LYS 94 - QG2 VAL 78 lone 3 73 - 4 - HB2 LYS 40 - QG1 VAL 5 lone 2 62 - 4 - ~8191=1 HD2 LYS 94 - QG1 VAL 5 lone 1 41 - 3 - HG3 LYS 47 - QG2 VAL 78 lone 1 65 - 1 - HG3 LYS 47 - QG1 VAL 5 lone 0 36 - 1 - Peak 10292 from cnoeabs.peaks (1.42, 0.72, 21.10 ppm; 2.84 A): 2 out of 6 assignments used, quality = 0.60: QB ALA 71 + QG2 VAL 78 OK 52 99 - 53 - 9685/2.1=16...(9) HG12 ILE 7 + QG2 VAL 78 OK 16 94 - 17 - 10290/2.1=5, 9688/3.2=2...(7) QB ALA 71 - QG1 VAL 5 lone 6 63 - 10 - 2.9/9550=2, 9553=1...(4) HG12 ILE 7 - QG1 VAL 5 lone 5 57 - 8 - 8246/4.0=3, 10273=1...(4) HG2 LYS 13 - QG1 VAL 5 lone 3 43 - 6 - 12302/3.2=5 HG2 LYS 13 - QG2 VAL 78 lone 3 77 - 3 - Peak 10293 from cnoeabs.peaks (1.75, 5.33, 59.69 ppm; 3.71 A): 5 out of 12 assignments used, quality = 0.89: HB ILE 56 + HA THR 80 OK 76 96 - 80 - 9302=26, 3.8/9299=16...(18) HB3 LYS 82 + HA THR 80 OK 32 94 - 35 - 10921/3.6=8, 9729/3.2=6...(10) HB ILE 56 + HA ILE 52 OK 15 49 - 30 - 9302=10, 3.8/9299=7...(7) HB2 LYS 66 + HA THR 80 OK 12 90 - 14 - 9729/3.2=3, 9719/3.0=3...(5) HG3 ARG 19 + HA THR 80 OK 12 99 - 12 - 4.9/11120=6, 9729/3.2=3...(4) HD2 LYS 90 - HA THR 80 poor 10 73 - 13 - 9729/3.2=3, 9719/3.0=3...(7) HB3 LYS 82 - HA ILE 52 lone 4 48 - 8 - 9759/4.1=1, 10921/7311=1 HB2 LYS 66 - HA ILE 52 lone 3 44 - 6 - 2895/3.6=1 HG3 ARG 19 - HA ILE 52 lone 2 53 - 3 - HB2 GLU 28 - HA THR 80 lone 1 84 - 2 - HB2 GLU 28 - HA ILE 52 lone 1 40 - 2 - 1241/3.6=1 HD2 LYS 90 - HA ILE 52 lone 1 34 - 2 - Peak 10295 from cnoeabs.peaks (10.30, 1.01, 23.61 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.84: HE1 TRP 92 + QG1 VAL 83 OK 84 99 - 85 - 9998=41, 2.6/9796=25...(17) Peak 10296 from cnoeabs.peaks (10.29, 0.96, 21.21 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.94: HE1 TRP 92 + QG2 VAL 83 OK 94 100 - 94 - 10295/2.1=47, ~14635=27...(18) Peak 10297 from cnoeabs.peaks (7.70, 1.81, 30.05 ppm; 4.25 A): 4 out of 10 assignments used, quality = 0.81: H SER 85 + HB2 GLU 88 OK 50 94 - 53 - 10299/1.8=14...(12) H ALA 25 + HB2 GLU 88 OK 41 84 - 49 - 10299/1.8=18, 6391/3.9=9...(9) H MET 21 + HB2 GLU 88 OK 30 84 - 36 - 10299/1.8=7, 8550/3.0=5...(12) HD22 ASN 51 + HB2 GLU 88 OK 10 87 - 11 - 10299/1.8=2, 10303/4.3=2...(4) H SER 85 - HB2 GLU 104 poor 10 81 - 12 - 4.6/9831=3, 9859/3.0=1 H MET 21 - HB2 GLU 104 poor 8 70 - 12 - 6337/3.0=2, 5.1/8556=1 HD22 ASN 51 - HB2 GLU 104 poor 8 73 - 11 - ~11073=8 H ALA 25 - HB2 GLU 104 lone 7 70 - 10 - 4.6/3872=1, 10299/3881=1 H LEU 64 - HB2 GLU 88 poor 6 57 - 11 - 10299/1.8=3, 10302/3.0=2...(5) H LEU 64 - HB2 GLU 104 lone 3 46 - 7 - 7028/3.0=2, 3.6/10307=1 Peak 10299 from cnoeabs.peaks (7.70, 2.08, 30.05 ppm; 3.75 A): 3 out of 5 assignments used, quality = 0.65: H ALA 25 + HB3 GLU 88 OK 40 94 - 43 - 6397/3.9=8, 10297/1.8=7...(12) H SER 85 + HB3 GLU 88 OK 32 84 - 38 - 10297/1.8=9, 10303/4.3=7...(7) H MET 21 + HB3 GLU 88 OK 15 70 - 22 - 10297/1.8=5, 10301/3.0=4...(7) H LEU 64 - HB3 GLU 88 lone 6 73 - 9 - 6391/3.9=1, 10302/3.0=1...(4) HD22 ASN 51 - HB3 GLU 88 lone 5 73 - 7 - 10297/1.8=2, 10303/4.3=1 Peak 10301 from cnoeabs.peaks (7.70, 2.14, 36.78 ppm; 4.90 A): 3 out of 5 assignments used, quality = 0.80: H SER 85 + HG2 GLU 88 OK 51 94 - 54 - 4.6/9921=14...(10) H ALA 25 + HG2 GLU 88 OK 44 84 - 53 - 10299/3.0=17...(9) H MET 21 + HG2 GLU 88 OK 27 84 - 32 - 10297/3.0=7, 10299/3.0=7...(11) HD22 ASN 51 - HG2 GLU 88 lone 8 87 - 9 - 10297/3.0=2, 10299/3.0=2 H LEU 64 - HG2 GLU 88 poor 7 57 - 13 - 10299/3.0=3, 10302/1.8=3...(5) Peak 10302 from cnoeabs.peaks (7.70, 1.94, 36.78 ppm; 5.50 A): 4 out of 5 assignments used, quality = 0.83: H ALA 25 + HG3 GLU 88 OK 55 94 - 58 - 10299/3.0=19...(8) H SER 85 + HG3 GLU 88 OK 45 84 - 54 - 10301/1.8=17...(8) H MET 21 + HG3 GLU 88 OK 25 70 - 35 - 10301/1.8=9, 10297/3.0=8...(9) H LEU 64 + HG3 GLU 88 OK 11 73 - 15 - 9468/9914=4, 10299/3.0=3...(5) HD22 ASN 51 - HG3 GLU 88 poor 9 73 - 11 - 10301/1.8=3, 10297/3.0=3 Peak 10305 from cnoeabs.peaks (3.90, 2.14, 36.78 ppm; 5.05 A): 4 out of 8 assignments used, quality = 0.95: HA ALA 89 + HG2 GLU 88 OK 83 100 - 83 - 3.0/7404=20, ~9933=14...(16) HB2 SER 85 + HG2 GLU 88 OK 36 99 - 36 - 9845/4.9=11...(8) HA ARG 91 + HG2 GLU 88 OK 35 92 - 38 - 10306/3.0=11...(9) HA GLU 35 + HG2 GLU 88 OK 28 90 - 31 - 3.0/9921=5, 10306/3.0=5...(10) HA GLU 43 - HG2 GLU 88 OK 12 77 - 15 - 10306/3.0=3, 9956/4.2=2...(4) HA3 GLY 101 - HG2 GLU 88 lone 5 99 - 5 - HB2 SER 102 - HG2 GLU 88 lone 5 99 - 5 - HA GLU 63 - HG2 GLU 88 lone 5 73 - 7 - 3.6/10301=2, 10307/3.0=1 Peak 10306 from cnoeabs.peaks (3.89, 2.08, 30.05 ppm; 4.04 A): 4 out of 8 assignments used, quality = 0.94: HA ALA 89 + HB3 GLU 88 OK 72 97 - 74 - 3.0/7403=20, 2.1/9933=18...(17) HA ARG 91 + HB3 GLU 88 OK 58 98 - 60 - 9956/3.0=10, ~3869=8...(18) HB2 SER 85 + HB3 GLU 88 OK 29 94 - 31 - 4.0/10299=8, 9845/3.9=8...(7) HA GLU 35 + HB3 GLU 88 OK 29 97 - 29 - 9956/3.0=4, ~9920=3...(15) HA GLU 43 - HB3 GLU 88 OK 13 90 - 14 - 9956/3.0=2, ~6687=1...(4) HA LEU 38 - HB3 GLU 88 OK 10 57 - 17 - ~8853=2, 2.9/6587=2...(9) HA3 GLY 101 - HB3 GLU 88 lone 5 100 - 5 - HB2 SER 102 - HB3 GLU 88 lone 5 100 - 4 - Peak 10307 from cnoeabs.peaks (3.91, 1.81, 30.05 ppm; 4.46 A): 3 out of 14 assignments used, quality = 0.86: HA ALA 89 + HB2 GLU 88 OK 75 90 - 84 - ~7403=15, ~9933=15...(21) HB2 SER 85 + HB2 GLU 88 OK 31 94 - 33 - 9845/3.9=10, 4.0/10297=8...(7) HA ALA 89 + HB2 GLU 104 OK 20 76 - 27 - 3.0/3878=6, ~9923=4...(9) HA GLU 63 - HB2 GLU 104 poor 9 90 - 10 - ~7014=3, 2771/1.8=2, ~7016=1 HA GLU 63 - HB2 GLU 88 lone 7 100 - 7 - 7406/4.3=1, 3.6/10297=1, ~7016=1 HB2 SER 85 - HB2 GLU 104 lone 6 81 - 7 - 4.0/10297=2, 9870/3.0=1 HA3 GLY 101 - HB2 GLU 88 lone 4 61 - 6 - 3.6/10111=1, 7406/4.3=1 HB2 SER 102 - HB2 GLU 88 lone 4 65 - 6 - 4.0/10111=1, 7406/4.3=1 HA TYR 41 - HB2 GLU 88 lone 4 77 - 5 - 3.6/6673=1 HA TYR 41 - HB2 GLU 104 lone 3 64 - 5 - HB3 SER 9 - HB2 GLU 88 lone 2 81 - 2 - HA3 GLY 101 - HB2 GLU 104 lone 1 50 - 3 - HB3 SER 9 - HB2 GLU 104 lone 1 67 - 2 - HB2 SER 102 - HB2 GLU 104 lone 1 53 - 2 - Peak 10308 from cnoeabs.peaks (2.08, 1.81, 32.09 ppm; 3.82 A): 6 out of 9 assignments used, quality = 0.94: HB3 GLU 88 + HB2 LYS 90 OK 68 96 - 71 - 3880/3.0=10, 3.0/3925=10...(22) QE MET 21 + HB2 LYS 90 OK 54 84 - 64 - 8543/3.0=11, 8537/4.1=10...(18) HB3 PRO 86 + HB2 LYS 90 OK 31 61 - 50 - 4.9/9908=8, ~9886=6...(19) HG3 GLU 104 + HB2 LYS 90 OK 22 87 - 25 - 4544=4, 1.8/4537=3...(10) HB3 GLU 35 + HB2 LYS 90 OK 18 99 - 18 - 10309/1.8=2, ~10310=2...(5) HB2 GLU 23 + HB2 LYS 90 OK 15 100 - 15 - 10309/1.8=2, 9944/4.1=2...(7) HB3 GLU 62 - HB2 LYS 90 lone 8 100 - 8 - 9944/4.1=2, 10309/1.8=1 HB2 GLU 16 - HB2 LYS 90 lone 7 92 - 7 - 4.6/3924=3 HB3 LEU 38 - HB2 LYS 90 lone 4 84 - 5 - Peak 10309 from cnoeabs.peaks (2.08, 1.83, 32.09 ppm; 3.69 A): 7 out of 18 assignments used, quality = 0.93: HB3 GLU 88 + HB3 LYS 90 OK 63 96 - 66 - 10308/1.8=10, 3880/3.0=9...(21) QE MET 21 + HB3 LYS 90 OK 51 84 - 61 - 8543/3.0=11, 8537/4.1=9...(18) HB3 PRO 86 + HB3 LYS 90 OK 29 61 - 47 - 4.9/9953=12, ~9886=6...(17) HG3 GLU 104 + HB3 LYS 90 OK 16 87 - 19 - 10308/1.8=3, ~4537=2...(8) HB3 GLU 35 + HB3 LYS 90 OK 16 99 - 16 - 10308/1.8=3, ~10310=2...(5) HB2 GLU 23 + HB3 LYS 90 OK 14 100 - 14 - 4.6/8603=2, 10308/1.8=2...(8) QE MET 21 + HB2 LYS 68 OK 14 73 - 19 - 8542/3.0=6, ~8545=4...(4) HB3 GLU 88 - HB2 LYS 68 lone 7 86 - 8 - 3.9/8603=1 HB3 GLU 62 - HB3 LYS 90 lone 7 100 - 7 - 9944/4.1=1, 10308/1.8=1 HB3 GLU 35 - HB2 LYS 68 lone 7 91 - 7 - 4.7/2998=3, 1547/4.0=1 HG3 GLU 104 - HB2 LYS 68 lone 6 76 - 8 - 4545/1.8=2, ~4538=1 HB2 GLU 16 - HB3 LYS 90 lone 6 92 - 6 - 4.6/3935=2, 10308/1.8=1 HB3 LEU 38 - HB2 LYS 68 lone 5 73 - 6 - ~12320=2 HB2 GLU 23 - HB2 LYS 68 lone 4 93 - 4 - HB3 PRO 86 - HB2 LYS 68 lone 3 52 - 6 - 4.9/9953=2 HB3 LEU 38 - HB3 LYS 90 lone 3 84 - 3 - HB2 GLU 16 - HB2 LYS 68 lone 2 82 - 2 - HB3 GLU 62 - HB2 LYS 68 lone 2 92 - 2 - Peak 10310 from cnoeabs.peaks (2.02, 1.29, 25.29 ppm; 4.45 A): 4 out of 9 assignments used, quality = 0.62: HG12 ILE 93 + HG2 LYS 90 OK 30 84 - 36 - ~11000=8, 3.0/3948=5...(10) HB3 GLU 17 + HG2 LYS 90 OK 26 65 - 41 - ~12232=8, ~12027=8...(11) HB3 LYS 94 + HG2 LYS 90 OK 17 100 - 17 - 3.5/3951=2, 4204/1.8=2...(6) HB2 GLU 35 + HG2 LYS 90 OK 11 70 - 16 - 1.8/11077=3, ~10308=2...(6) HB2 GLU 62 - HG2 LYS 90 lone 6 94 - 6 - 1.8/11077=2 HB3 GLU 99 - HG2 LYS 90 lone 3 84 - 3 - HB2 GLN 50 - HG2 LYS 90 lone 3 100 - 3 - HB2 GLU 99 - HG2 LYS 90 lone 2 61 - 3 - HB3 GLU 98 - HG2 LYS 90 lone 2 61 - 3 - Peak 10311 from cnoeabs.peaks (2.08, 1.58, 25.29 ppm; 4.93 A): 3 out of 18 assignments used, quality = 0.93: HB3 GLU 88 + HG3 LYS 90 OK 75 96 - 79 - 10308/2.8=13...(21) QE MET 21 + HG3 LYS 90 OK 61 84 - 74 - 8543/4.0=14, 8537/4.9=14...(18) HB3 PRO 86 + HG3 LYS 90 OK 29 61 - 48 - 4.9/9910=12, 11077/1.8=7...(19) HB3 GLU 35 - HG3 LYS 90 OK 24 99 - 24 - ~10310=4, 10308/2.8=3...(8) HG3 GLU 104 - HG3 LYS 90 OK 23 87 - 27 - 10308/2.8=4, 11077/1.8=4...(9) HB3 GLU 88 - HG2 LYS 24 OK 23 70 - 33 - 3879/5.1=8, 3.9/6385=4...(11) HB2 GLU 23 - HG3 LYS 90 OK 20 100 - 21 - 2.9/10464=4, 10308/2.8=3...(6) HB2 GLU 23 - HG2 LYS 24 OK 19 77 - 25 - 1026/5.1=13, 2.9/10464=5...(4) HB3 PRO 86 - HG2 LYS 24 OK 15 40 - 38 - ~1096=5, 4.9/9910=4...(16) HB3 GLU 62 - HG3 LYS 90 OK 12 100 - 12 - 9944/4.9=2, ~10310=2...(5) QE MET 21 - HG2 LYS 24 OK 11 58 - 20 - 8538/5.1=5, 5.3/8565=2...(5) HB2 GLU 16 - HG3 LYS 90 OK 10 92 - 11 - 4.6/3957=4, 11077/1.8=1...(4) HB3 LEU 38 - HG3 LYS 90 lone 5 84 - 6 - ~10550=1 HB2 GLU 16 - HG2 LYS 24 lone 4 65 - 6 - 7394/5.1=2, ~9582=1 HB3 GLU 35 - HG2 LYS 24 lone 4 74 - 5 - HB3 GLU 62 - HG2 LYS 24 lone 4 76 - 5 - HG3 GLU 104 - HG2 LYS 24 lone 3 61 - 5 - HB3 LEU 38 - HG2 LYS 24 lone 2 58 - 3 - Peak 10312 from cnoeabs.peaks (2.11, 3.67, 60.35 ppm; 4.41 A): 4 out of 11 assignments used, quality = 0.99: QE MET 21 + HA LYS 90 OK 77 92 - 84 - 8543=23, 8537/3.0=20...(24) HB3 PRO 86 + HA LYS 90 OK 75 99 - 75 - 1.8/9886=15, ~9852=14...(20) HB2 PRO 86 + HA LYS 90 OK 67 90 - 75 - 9886=15, ~9852=14...(20) HB VAL 83 + HA LYS 90 OK 45 99 - 46 - 9829/4.8=10, ~9941=8...(12) HG3 GLU 104 - HA LYS 90 OK 19 90 - 21 - 4544/3.0=3, 3.0/3873=3...(8) HB2 LEU 64 - HA LYS 90 OK 17 99 - 17 - 3.0/10245=5, 3.1/10246=2...(5) HG3 GLU 37 - HA LYS 90 lone 5 100 - 5 - HB2 GLU 69 - HA LYS 90 lone 2 65 - 3 - HB3 GLU 69 - HA LYS 90 lone 2 65 - 3 - HB3 GLU 37 - HA LYS 90 lone 1 70 - 2 - HG2 GLU 69 - HA LYS 90 lone 1 65 - 2 - Peak 10313 from cnoeabs.peaks (4.22, 1.68, 29.27 ppm; 5.33 A): 3 out of 10 assignments used, quality = 0.86: HA ASP 87 + HB3 ARG 91 OK 81 100 - 81 - 9963/3.9=31, 3847/4.3=11...(27) HA ASP 87 + HD3 LYS 47 OK 15 100 - 15 - 9896/6.3=2, 9963/7443=2...(4) HA ASP 87 + HD2 LYS 47 OK 15 99 - 15 - 9896/6.3=2, 9963/7443=2...(4) HA ASP 87 - HD2 LYS 20 poor 9 90 - 10 - 9906/3.0=2, 9906/3.0=2 HA ASP 87 - HD3 LYS 20 lone 7 71 - 9 - 9906/3.0=2, 9906/3.0=2 HB THR 31 - HB3 ARG 91 lone 2 70 - 3 - 9963/3.9=1 HB THR 31 - HD3 LYS 47 lone 2 69 - 3 - HB THR 31 - HD2 LYS 47 lone 2 68 - 3 - HB THR 31 - HD2 LYS 20 lone 2 57 - 3 - HB THR 31 - HD3 LYS 20 lone 1 42 - 3 - Peak 10314 from cnoeabs.peaks (4.23, 2.81, 41.80 ppm; 4.35 A): 1 out of 3 assignments used, quality = 0.80: HA ASP 87 + HE2 LYS 90 OK 80 94 - 85 - 9907=43, 9906/1.8=20...(12) HA SER 49 - HE2 LYS 90 lone 1 87 - 2 - HB THR 31 - HE2 LYS 90 lone 1 96 - 1 - Peak 10315 from cnoeabs.peaks (4.20, 1.70, 29.44 ppm; 4.73 A): 0 out of 8 assignments used, low quality = 0.22: HB3 SER 85 - HD3 LYS 90 OK 22 92 - 24 - 10316/1.8=6, 9954/2.9=5...(8) HB3 SER 85 - HD2 LYS 12 poor 6 51 - 12 - 9875=2, 9875/1.8=2...(6) HB3 SER 85 - HD3 LYS 12 poor 6 51 - 12 - 9875=2, 9875/1.8=2...(6) HB3 SER 85 - HG12 ILE 15 lone 5 88 - 6 - 9875=1 HA GLU 98 - HD3 LYS 90 lone 2 84 - 2 - HA GLU 98 - HG12 ILE 15 lone 1 79 - 2 - HA GLU 98 - HD2 LYS 12 lone 1 44 - 1 - HA GLU 98 - HD3 LYS 12 lone 1 44 - 1 - Peak 10316 from cnoeabs.peaks (4.21, 1.74, 29.44 ppm; 4.79 A): 2 out of 2 assignments used, quality = 0.72: HA ASP 87 + HD2 LYS 90 OK 68 81 - 84 - 9952/2.9=27, 9907/3.0=24...(11) HB3 SER 85 + HD2 LYS 90 OK 14 61 - 24 - 10315/1.8=17, ~10956=2...(4) Peak 10317 from cnoeabs.peaks (4.83, 7.43, 120.39 ppm; 4.41 A): 2 out of 2 assignments used, quality = 0.79: HA TRP 92 + HE3 TRP 92 OK 75 92 - 82 - 4.8=77, 2.9/7467=17...(4) HA ASN 60 + HE3 TRP 92 OK 15 70 - 21 - 4096/4.2=6, 4108/4.2=6...(4) Peak 10318 from cnoeabs.peaks (2.12, 0.77, 14.14 ppm; 4.29 A): 3 out of 12 assignments used, quality = 0.63: QE MET 21 + QD1 ILE 93 OK 44 61 - 72 - 3.4/10024=13...(23) HB2 LEU 64 + QD1 ILE 93 OK 20 99 - 21 - 2816/2.1=4, 2816/3.1=3...(8) HB VAL 83 + QD1 ILE 93 OK 16 99 - 17 - 9822/3.2=2, 4.0/9802=2...(6) HB2 PRO 86 - QD1 ILE 93 lone 9 100 - 9 - ~10324=2, 9886/10025=2, ~10319=2 HB3 PRO 86 - QD1 ILE 93 lone 7 84 - 8 - ~10324=2, 10312/10025=1 HG3 GLU 37 - QD1 ILE 93 lone 3 96 - 3 - HG2 GLU 44 - QD1 ILE 93 lone 3 70 - 4 - 4.8/8974=2 HB3 GLU 37 - QD1 ILE 93 lone 2 96 - 2 - HB3 GLU 69 - QD1 ILE 93 lone 2 94 - 2 - HB2 GLU 69 - QD1 ILE 93 lone 2 94 - 2 - HG2 GLU 69 - QD1 ILE 93 lone 2 94 - 2 - HB2 GLU 75 - QD1 ILE 93 lone 1 65 - 1 - Peak 10319 from cnoeabs.peaks (2.10, 0.75, 17.00 ppm; 3.85 A): 6 out of 9 assignments used, quality = 0.91: QE MET 21 + QG2 ILE 93 OK 81 100 - 81 - 8552=14, 995/3.2=11...(27) HB2 LEU 64 + QG2 ILE 93 OK 21 84 - 24 - 2816=3, 1.8/2824=3...(10) HG3 GLU 104 + QG2 ILE 93 OK 13 100 - 13 - 4544/2.1=2, 3.0/4140=2, ~4537=1 HB2 GLU 23 + QG2 ILE 93 OK 13 84 - 16 - 4.0/4145=5, 6351/11002=3...(4) HB3 PRO 86 + QG2 ILE 93 OK 11 99 - 11 - 3.0/10324=3, ~10318=1 HB VAL 83 + QG2 ILE 93 OK 11 84 - 13 - ~9816=2, 9822/2.1=2...(4) HB3 GLU 62 - QG2 ILE 93 lone 3 90 - 4 - HB3 GLU 35 - QG2 ILE 93 lone 3 61 - 5 - HG3 GLU 37 - QG2 ILE 93 lone 3 92 - 3 - Peak 10320 from cnoeabs.peaks (1.34, 0.75, 17.00 ppm; 3.87 A): 5 out of 11 assignments used, quality = 0.96: HG2 LYS 94 + QG2 ILE 93 OK 59 99 - 59 - 3.7/12249=10...(22) HB3 LEU 27 + QG2 ILE 93 OK 54 100 - 54 - 1.8/10326=7, 1202/3.1=6...(29) QB ALA 25 + QG2 ILE 93 OK 43 99 - 44 - 8621=9, 10476/4.3=5...(15) QB ALA 89 + QG2 ILE 93 OK 41 99 - 42 - 9932/3.1=10, 9939/4.0=7...(10) HG2 LYS 39 + QG2 ILE 93 OK 31 100 - 31 - 1.8/10326=5, ~10327=3...(12) QB ALA 67 - QG2 ILE 93 OK 17 98 - 17 - 2.1/12249=2, 7515/4.3=2...(7) HB2 LYS 82 - QG2 ILE 93 OK 14 100 - 14 - 3.5/11000=2, 2.9/9761=1 HG3 LYS 68 - QG2 ILE 93 OK 12 98 - 12 - 7515/4.3=2, 4.0/8509=1 HB3 LEU 2 - QG2 ILE 93 OK 12 92 - 13 - 4.6/12276=2, 10006/4.0=2...(4) HG LEU 14 - QG2 ILE 93 lone 7 97 - 8 - HG3 LYS 40 - QG2 ILE 93 lone 3 73 - 4 - 3.8/12249=1 Peak 10321 from cnoeabs.peaks (1.33, 0.77, 14.14 ppm; 3.49 A): 7 out of 10 assignments used, quality = 0.92: HB3 LEU 27 + QD1 ILE 93 OK 47 92 - 52 - 1202=8, 1.8/1194=6...(21) QB ALA 89 + QD1 ILE 93 OK 44 99 - 45 - 9932=12, 2.1/10325=7...(13) HG2 LYS 94 + QD1 ILE 93 OK 42 99 - 42 - 4.9/4169=5, 4211/2.1=4...(17) QB ALA 25 + QD1 ILE 93 OK 29 99 - 30 - 8621/3.1=5, 8621/2.1=4...(12) HG2 LYS 39 + QD1 ILE 93 OK 20 90 - 23 - 1.8/10327=6, 3.0/4164=2...(8) HB3 LEU 2 + QD1 ILE 93 OK 11 100 - 11 - 10006/5.0=2, 1.8/12274=1 QB ALA 67 + QD1 ILE 93 OK 10 100 - 10 - 10006/5.0=2, 10320/3.1=1 HB2 LYS 82 - QD1 ILE 93 lone 8 94 - 8 - 4.6/9802=1, 2.9/9762=1 HG LEU 14 - QD1 ILE 93 lone 6 73 - 8 - 12030/10026=3 HG3 LYS 68 - QD1 ILE 93 lone 5 77 - 6 - Peak 10322 from cnoeabs.peaks (0.94, 0.75, 17.00 ppm; 3.76 A): 2 out of 2 assignments used, quality = 0.74: QG2 VAL 5 + QG2 ILE 93 OK 49 94 - 52 - 8176/3.2=17...(14) HB2 ARG 81 + QG2 ILE 93 OK 49 99 - 49 - 10018/3.2=11...(20) Peak 10323 from cnoeabs.peaks (1.34, 1.80, 37.57 ppm; 5.65 A): 5 out of 10 assignments used, quality = 1.00: HG2 LYS 94 + HB ILE 93 OK 82 100 - 82 - 4.9/4137=20...(21) HB3 LEU 27 + HB ILE 93 OK 69 98 - 71 - 10321/3.2=10...(25) QB ALA 89 + HB ILE 93 OK 65 100 - 65 - 9939/3.9=16, 9932/3.2=13...(16) HG2 LYS 39 + HB ILE 93 OK 51 97 - 53 - ~10327=7, ~10326=6...(20) QB ALA 25 + HB ILE 93 OK 50 100 - 50 - 10476/4.4=9, 8621/2.1=9...(10) QB ALA 67 - HB ILE 93 OK 28 100 - 28 - 10006/3.9=5, 7515/4.4=3...(9) HB3 LEU 2 - HB ILE 93 OK 22 99 - 22 - 10006/3.9=7, 10321/3.2=2...(6) HG3 LYS 68 - HB ILE 93 OK 15 90 - 17 - 7515/4.4=3, 10320/2.1=2 HB2 LYS 82 - HB ILE 93 OK 14 99 - 14 - 10320/2.1=2, 10321/3.2=2...(4) HG LEU 14 - HB ILE 93 OK 12 87 - 14 - 12030/8489=2, 4.3/4129=2...(5) Peak 10324 from cnoeabs.peaks (3.96, 0.75, 17.00 ppm; 4.82 A): 0 out of 2 assignments used, low quality = 0.43: HB2 SER 97 - QG2 ILE 93 OK 43 96 - 45 - 3.0/10028=13...(10) HD3 PRO 86 - QG2 ILE 93 poor 7 61 - 11 - 4.8/10032=3, 3.0/10319=3...(4) Peak 10325 from cnoeabs.peaks (3.90, 0.77, 14.14 ppm; 4.84 A): 5 out of 8 assignments used, quality = 0.79: HA ALA 89 + QD1 ILE 93 OK 56 100 - 56 - 4.8/10025=16...(11) HA ARG 91 + QD1 ILE 93 OK 28 92 - 31 - 3.0/9955=9, 7481/5.0=6...(11) HA GLU 43 + QD1 ILE 93 OK 16 77 - 20 - 2.9/6691=4, 3.6/8974=3...(6) HA3 GLY 101 + QD1 ILE 93 OK 12 99 - 12 - 7478/5.0=3, 11029/4169=2...(5) HB2 SER 85 + QD1 ILE 93 OK 11 99 - 11 - 4.0/11001=3, 7478/5.0=2 HA GLU 35 - QD1 ILE 93 lone 8 90 - 9 - 7481/5.0=2 HA GLU 63 - QD1 ILE 93 lone 5 73 - 7 - 3.6/11001=2 HB2 SER 102 - QD1 ILE 93 lone 5 99 - 5 - ~11090=1 Peak 10326 from cnoeabs.peaks (1.44, 0.75, 17.00 ppm; 3.78 A): 5 out of 15 assignments used, quality = 0.89: QB ALA 22 + QG2 ILE 93 OK 68 96 - 72 - 2.9/11002=22...(16) HB2 LEU 27 + QG2 ILE 93 OK 37 81 - 47 - 1.8/10320=7, ~10321=4...(26) HG3 LYS 39 + QG2 ILE 93 OK 29 100 - 29 - 10327/3.1=5, 1715/2.1=4...(12) HG LEU 29 + QG2 ILE 93 OK 13 96 - 13 - 6353/11002=3...(5) HG13 ILE 76 + QG2 ILE 93 OK 12 97 - 12 - 3.8/10030=2, 10327/3.1=2...(4) HG13 ILE 52 - QG2 ILE 93 poor 9 81 - 11 - ~9177=1, 10641/3.2=1 HG2 LYS 12 - QG2 ILE 93 lone 9 100 - 9 - 10327/3.1=1, 1.8/10853=1 HB2 LEU 38 - QG2 ILE 93 lone 7 87 - 8 - 3.0/12249=2 HD2 LYS 82 - QG2 ILE 93 lone 7 73 - 9 - 1.8/11000=3, 2.9/9761=1 HG3 ARG 91 - QG2 ILE 93 lone 4 94 - 5 - 4.0/12249=2, 10327/3.1=1 HG2 LYS 13 - QG2 ILE 93 lone 4 84 - 5 - HG LEU 38 - QG2 ILE 93 lone 4 73 - 5 - 3.7/12249=2 HG12 ILE 7 - QG2 ILE 93 lone 4 61 - 6 - 10327/3.1=1 HG2 LYS 20 - QG2 ILE 93 lone 3 81 - 4 - HD2 LYS 53 - QG2 ILE 93 lone 3 73 - 4 - Peak 10327 from cnoeabs.peaks (1.43, 0.77, 14.14 ppm; 3.68 A): 3 out of 8 assignments used, quality = 0.72: QB ALA 22 + QD1 ILE 93 OK 59 100 - 59 - 2.9/11004=17, ~11002=10...(12) HG3 LYS 39 + QD1 ILE 93 OK 23 97 - 23 - 1.8/10321=4, 10326/3.1=3...(10) HG LEU 29 + QD1 ILE 93 OK 11 100 - 11 - 8484/10020=2...(3) HG13 ILE 76 - QD1 ILE 93 lone 9 100 - 9 - ~9664=2, 10326/3.1=1, ~9666=1 HG2 LYS 12 - QD1 ILE 93 lone 7 90 - 8 - HG12 ILE 7 - QD1 ILE 93 lone 7 92 - 7 - HG3 ARG 91 - QD1 ILE 93 lone 6 65 - 9 - 4.8/9955=4, 4.0/10325=3 HG2 LYS 13 - QD1 ILE 93 lone 5 99 - 5 - Peak 10330 from cnoeabs.peaks (5.18, 6.95, 131.21 ppm; 6.50 A): 0 out of 4 assignments used, low quality = 0.43: HA VAL 54 - HE1 PHE 96 OK 27 51 - 54 - ~9219=27, 9221/2.5=15...(8) HA VAL 54 - HE2 PHE 96 OK 22 40 - 54 - ~9219=27, 9221/2.5=15...(8) HA VAL 78 - HE1 PHE 96 poor 9 68 - 13 - ~8171=2, 12196/10912=2...(6) HA VAL 78 - HE2 PHE 96 poor 7 55 - 13 - ~8171=2, 12196/10912=2...(6) Peak 10332 from cnoeabs.peaks (1.43, 1.69, 29.43 ppm; 2.70 A): 8 out of 32 assignments used, quality = 0.83: HG12 ILE 7 + HG12 ILE 15 OK 31 99 - 31 - ~8470=8, ~8469=6...(12) HG2 LYS 12 + HD2 LYS 12 OK 25 28 - 88 - 3.0=75, 423/3.0=4...(32) HG2 LYS 12 + HD3 LYS 12 OK 25 28 - 88 - 3.0=75, 423/3.0=4...(32) HG2 LYS 13 + HG12 ILE 15 OK 17 100 - 17 - 517/4.6=2, 523=2...(5) HG2 LYS 13 + HD3 LYS 12 OK 16 49 - 32 - 523=4, 524/1.8=3...(6) HG2 LYS 13 + HD2 LYS 12 OK 16 49 - 32 - 523=4, 524/1.8=3...(6) HG LEU 29 + HG12 ILE 15 OK 14 97 - 14 - ~8469=4, 2.1/8471=2...(6) HG2 LYS 12 + HG12 ILE 15 OK 13 70 - 18 - ~8466=2, 3.7/387=2...(7) HG13 ILE 76 - HG12 ILE 15 lone 9 96 - 9 - ~10118=1 HG2 LYS 12 - HD3 LYS 90 poor 8 65 - 12 - ~3973=1 HG13 ILE 76 - HD3 LYS 90 lone 6 92 - 7 - 10285/2.9=1 HG LEU 29 - HD3 LYS 90 lone 6 93 - 6 - 10285/2.9=1 QB ALA 71 - HG12 ILE 15 lone 6 65 - 9 - 2.9/7161=1, ~10838=1, ~10121=1 HG3 LYS 39 - HD3 LYS 12 poor 5 36 - 15 - 1716/3.6=2, 1716/3.6=2 HG3 LYS 39 - HD2 LYS 12 poor 5 36 - 15 - 1716/3.6=2, 1716/3.6=2 HG LEU 29 - HD3 LYS 12 poor 5 45 - 10 - 1290/3.0=1 HG LEU 29 - HD2 LYS 12 poor 5 45 - 10 - 1290/3.0=1 QB ALA 22 - HG12 ILE 15 lone 4 97 - 4 - HG3 LYS 39 - HG12 ILE 15 lone 4 84 - 5 - HG12 ILE 7 - HD3 LYS 90 lone 3 97 - 3 - HG2 LYS 13 - HD3 LYS 90 lone 3 98 - 3 - HG12 ILE 7 - HD2 LYS 12 lone 2 48 - 5 - HG12 ILE 7 - HD3 LYS 12 lone 2 48 - 5 - HG3 LYS 39 - HD3 LYS 90 lone 2 79 - 2 - QB ALA 22 - HD2 LYS 12 lone 2 45 - 4 - QB ALA 22 - HD3 LYS 12 lone 2 45 - 4 - HG13 ILE 76 - HD2 LYS 12 lone 2 44 - 4 - HG13 ILE 76 - HD3 LYS 12 lone 2 44 - 4 - QB ALA 22 - HD3 LYS 90 lone 2 93 - 2 - QB ALA 71 - HD2 LYS 12 lone 1 26 - 3 - QB ALA 71 - HD3 LYS 12 lone 1 26 - 3 - QB ALA 71 - HD3 LYS 90 lone 0 61 - 1 - Peak 10334 from cnoeabs.peaks (3.86, 1.34, 18.52 ppm; 3.52 A): 0 out of 9 assignments used, low quality = 0.39: HA LYS 94 - QB ALA 25 OK 30 98 - 31 - 4174=6, 3.0/10476=6...(10) HB3 SER 49 - QB ALA 25 OK 12 100 - 12 - 2268/2.9=2, ~9074=2...(5) HA ALA 67 - QB ALA 25 lone 9 98 - 9 - 2976=2, 3.0/7095=1 HA ALA 71 - QB ALA 25 poor 8 81 - 10 - 3.0/10476=3, 8608/3.6=2 HA LYS 40 - QB ALA 25 lone 7 99 - 7 - 1778/3.6=2 HA LYS 12 - QB ALA 25 lone 4 99 - 4 - HA LEU 38 - QB ALA 25 lone 4 81 - 5 - HA2 GLY 100 - QB ALA 25 lone 3 98 - 3 - HA2 GLY 101 - QB ALA 25 lone 3 98 - 3 - Peak 10335 from cnoeabs.peaks (1.37, 0.83, 22.02 ppm; 3.85 A): 6 out of 6 assignments used, quality = 0.82: HG12 ILE 8 + QG2 VAL 32 OK 45 98 - 46 - 12204/2.1=10...(9) HG3 LYS 40 + QG2 VAL 32 OK 34 92 - 37 - ~8943=8, 1.8/10337=8...(8) HB3 ARG 30 + QG2 VAL 32 OK 22 100 - 22 - 8699/10154=6...(7) HG3 LYS 94 + QG2 VAL 32 OK 16 87 - 19 - 10513/4.0=3, 3.7/10162=3...(6) HG LEU 14 + QG2 VAL 32 OK 12 61 - 20 - ~8942=6, 10338/2.1=4...(5) HB2 LEU 70 + QG2 VAL 32 OK 11 100 - 11 - 10338/2.1=2, 10513/4.0=1 Peak 10336 from cnoeabs.peaks (1.34, 0.91, 23.40 ppm; 3.92 A): 5 out of 11 assignments used, quality = 0.79: QB ALA 67 + QG1 VAL 32 OK 47 99 - 47 - 9526/2.1=13, 2.1/8934=10...(9) HG3 LYS 40 + QG1 VAL 32 OK 27 65 - 42 - 1.8/8943=14, 2.9/8946=7...(8) HG LEU 14 + QG1 VAL 32 OK 21 94 - 22 - 2.1/8942=10, ~10518=3...(5) QB ALA 25 + QG1 VAL 32 OK 19 100 - 19 - 2.9/8936=4, 2.1/1402=4...(5) HG2 LYS 94 + QG1 VAL 32 OK 17 100 - 17 - ~10335=3, 3.7/8934=2...(6) HB2 LYS 82 - QG1 VAL 32 lone 8 100 - 8 - 3.5/8945=2 HG2 LYS 39 - QG1 VAL 32 lone 8 99 - 8 - ~10263=1 HG3 LYS 68 - QG1 VAL 32 lone 7 96 - 8 - ~10263=3, ~10160=1 QB ALA 89 - QG1 VAL 32 lone 5 100 - 6 - ~7405=1 HB3 LEU 27 - QG1 VAL 32 lone 5 100 - 5 - HB3 LEU 2 - QG1 VAL 32 lone 3 96 - 4 - Peak 10337 from cnoeabs.peaks (1.17, 0.83, 22.02 ppm; 3.40 A): 3 out of 4 assignments used, quality = 0.77: HB2 LEU 6 + QG2 VAL 32 OK 54 99 - 55 - 3.0/10154=19, 10229=17...(10) QG2 THR 34 + QG2 VAL 32 OK 34 100 - 34 - 2.1/10163=8, 8768/4.1=8...(8) HG2 LYS 40 + QG2 VAL 32 OK 22 70 - 33 - 1.8/10335=7, 8943/2.1=6...(10) HB2 LEU 29 - QG2 VAL 32 lone 5 77 - 7 - 8943/2.1=2, ~8945=1...(4) Peak 10338 from cnoeabs.peaks (1.36, 1.94, 34.49 ppm; 4.40 A): 5 out of 9 assignments used, quality = 0.88: HG12 ILE 8 + HB VAL 32 OK 65 100 - 65 - 4.1/12055=18, 12204=15...(9) HG3 LYS 40 + HB VAL 32 OK 37 100 - 37 - ~8943=11, 10335/2.1=9...(7) HG LEU 14 + HB VAL 32 OK 28 92 - 31 - ~8942=8, 2.1/10518=7...(9) HB3 ARG 30 + HB VAL 32 OK 17 90 - 19 - 10335/2.1=6, 4.7/1395=4...(6) HB2 LEU 70 + HB VAL 32 OK 12 94 - 12 - 10335/2.1=3, 3.1/12056=1 HG3 LYS 68 - HB VAL 32 lone 8 90 - 9 - ~10263=3, ~10160=2 HG2 LYS 39 - HB VAL 32 lone 5 77 - 6 - ~10263=2 HB3 LEU 27 - HB VAL 32 lone 4 73 - 6 - 4.4/10153=1 HB2 LYS 82 - HB VAL 32 lone 2 70 - 4 - ~9758=1 Peak 10339 from cnoeabs.peaks (2.00, 1.30, 40.51 ppm; 4.39 A): 4 out of 8 assignments used, quality = 0.94: QE MET 74 + HB3 LEU 42 OK 79 98 - 81 - 9605/3.1=19, 9587/4.0=15...(19) HB2 GLU 44 + HB3 LEU 42 OK 33 99 - 34 - 8916/1.8=5, 10342/3.1=5...(10) HB3 GLU 44 + HB3 LEU 42 OK 33 99 - 34 - 8916/1.8=5, 10342/3.1=5...(10) HB2 GLU 37 + HB3 LEU 42 OK 31 65 - 48 - 3.0/1920=9, 10343/3.0=9...(11) HB2 GLU 35 - HB3 LEU 42 OK 29 87 - 34 - 1540/4.6=6, 8916/1.8=5...(11) HB3 MET 1 - HB3 LEU 42 OK 27 97 - 28 - 3.0/8015=6, 3.0/8020=5...(10) HB3 GLU 17 - HB3 LEU 42 OK 27 90 - 30 - 1.8/12026=6, 8916/1.8=5...(11) QE MET 1 - HB3 LEU 42 OK 12 61 - 19 - 3.3/8015=6, 3.3/8020=5...(6) Peak 10340 from cnoeabs.peaks (2.00, 1.90, 26.36 ppm; 4.32 A): 5 out of 9 assignments used, quality = 0.94: QE MET 74 + HG LEU 42 OK 77 100 - 78 - 9605/2.1=23, ~10595=13...(17) HB2 GLU 35 + HG LEU 42 OK 30 100 - 30 - 8916/3.0=5, 4.7/1934=4...(10) HB3 GLU 44 + HG LEU 42 OK 29 99 - 29 - 10342/2.1=6, 3.9/6706=4...(9) HB2 GLU 44 + HG LEU 42 OK 29 99 - 29 - 10342/2.1=6, 3.9/6706=4...(9) HB3 GLU 17 + HG LEU 42 OK 26 100 - 26 - ~12026=6, 10342/2.1=5...(7) HB3 MET 1 - HG LEU 42 OK 17 100 - 17 - ~8015=3, 10342/2.1=3...(5) HB3 LYS 94 - HG LEU 42 poor 9 65 - 14 - ~8924=2, ~10597=2...(6) HB2 GLU 62 - HG LEU 42 lone 5 90 - 5 - 10342/2.1=1, 10590/4.9=1 HB2 GLN 50 - HG LEU 42 lone 4 61 - 6 - 10590/4.9=2, 9103/2.1=2 Peak 10341 from cnoeabs.peaks (1.98, 0.77, 21.93 ppm; 4.05 A): 4 out of 8 assignments used, quality = 0.66: HB3 MET 74 + QD2 LEU 42 OK 36 77 - 47 - 2.9/10595=18, ~9599=11...(7) HB2 GLU 37 + QD2 LEU 42 OK 30 100 - 30 - 3.0/1944=8, 1588/4.0=8...(7) QE MET 1 + QD2 LEU 42 OK 14 100 - 14 - 8024/3.1=4, ~8015=3...(4) HB2 ARG 46 + QD2 LEU 42 OK 12 100 - 12 - ~9027=2, 10343/4.0=2, 2071/3.1=1 HB3 ARG 46 - QD2 LEU 42 lone 6 65 - 10 - ~9027=2 HB2 LYS 47 - QD2 LEU 42 lone 5 94 - 5 - HB3 LYS 24 - QD2 LEU 42 lone 4 77 - 6 - HB2 LYS 24 - QD2 LEU 42 lone 4 77 - 6 - Peak 10342 from cnoeabs.peaks (2.00, 0.69, 25.64 ppm; 3.93 A): 6 out of 7 assignments used, quality = 0.94: QE MET 74 + QD1 LEU 42 OK 77 100 - 77 - 9605=22, ~10595=10...(21) HB2 GLU 44 + QD1 LEU 42 OK 29 100 - 29 - 4.7/10414=5, 10340/2.1=4...(9) HB3 GLU 44 + QD1 LEU 42 OK 29 100 - 29 - 4.7/10414=5, 10340/2.1=4...(9) HB3 GLU 17 + QD1 LEU 42 OK 24 98 - 24 - ~12026=5, 10340/2.1=4...(8) HB2 GLU 35 + QD1 LEU 42 OK 23 97 - 24 - 10340/2.1=4, 8916/3.1=4...(10) HB3 MET 1 + QD1 LEU 42 OK 16 100 - 16 - ~8015=3, 10339/3.1=2...(5) HB2 GLU 62 - QD1 LEU 42 lone 5 77 - 7 - 4.0/10740=2 Peak 10343 from cnoeabs.peaks (1.99, 3.70, 58.24 ppm; 3.67 A): 6 out of 9 assignments used, quality = 0.85: HB2 GLU 37 + HA LEU 42 OK 48 94 - 52 - 1588=13, 3.0/10345=11...(12) QE MET 74 + HA LEU 42 OK 32 77 - 41 - 9587/3.0=8, 9585/3.6=8...(10) HB2 GLU 44 + HA LEU 42 OK 25 81 - 31 - 3.9/6703=9, 4.7/6719=7...(10) HB3 GLU 44 + HA LEU 42 OK 25 81 - 31 - 3.9/6703=9, 4.7/6719=7...(10) HB2 ARG 46 + HA LEU 42 OK 12 87 - 14 - 4.0/6737=7, 10341/4.0=2 QE MET 1 + HA LEU 42 OK 12 92 - 13 - 8024/3.0=2, 10341/4.0=2...(5) HB3 GLU 17 - HA LEU 42 poor 9 57 - 16 - ~12026=4, 3.0/10345=4...(6) HB3 MET 1 - HA LEU 42 poor 9 73 - 12 - ~8015=2, 10339/3.0=2...(4) HB2 LYS 47 - HA LEU 42 lone 3 65 - 4 - Peak 10345 from cnoeabs.peaks (2.26, 3.70, 58.24 ppm; 4.39 A): 4 out of 6 assignments used, quality = 0.62: HG2 GLU 37 + HA LEU 42 OK 44 100 - 45 - 3.0/1588=11, 1.8/1609=11...(9) HG2 GLU 17 + HA LEU 42 OK 14 81 - 17 - ~12026=5, 5.1/10602=2...(7) HG3 GLU 62 + HA LEU 42 OK 11 99 - 11 - 1602=2, 1.8/1602=1...(4) HG2 GLU 62 + HA LEU 42 OK 11 99 - 11 - 1602=2, 1.8/1602=1...(4) HG2 GLU 95 - HA LEU 42 lone 4 84 - 5 - HG2 GLU 23 - HA LEU 42 lone 3 87 - 4 - Peak 10347 from cnoeabs.peaks (1.97, 3.85, 55.14 ppm; 3.92 A): 5 out of 20 assignments used, quality = 0.82: HB3 MET 74 + HA ALA 71 OK 61 99 - 62 - 1.8/10279=16...(11) HB2 LYS 73 + HA ALA 71 OK 24 92 - 26 - 4.6/10828=9, 4.1/9579=9...(5) HB3 LYS 73 + HA ALA 71 OK 24 90 - 26 - 4.6/10828=9, 4.1/9579=9...(5) HB3 LYS 24 + HA ALA 71 OK 10 99 - 10 - 4.0/10829=2, ~12295=2 HB2 LYS 24 + HA ALA 71 OK 10 99 - 10 - 4.0/10829=2, ~12295=2 HB3 MET 74 - HA ALA 67 poor 10 52 - 19 - 2.9/9611=4, ~9597=4...(7) HB2 GLU 37 - HA ALA 71 lone 7 92 - 8 - 4.1/10828=2, 1587/10828=1 HB3 ARG 46 - HA ALA 71 lone 7 96 - 7 - 9665/10837=1 HB2 ARG 46 - HA ALA 71 lone 6 97 - 6 - HB2 LYS 47 - HA ALA 71 lone 6 100 - 6 - 3.0/10836=1 HB2 ARG 46 - HA ALA 67 lone 3 49 - 7 - ~7085=3, ~2880=2 HB3 ARG 46 - HA ALA 67 lone 3 48 - 7 - ~7085=3, ~2880=2 HB2 LYS 73 - HA ALA 67 lone 3 45 - 7 - 4.1/9579=2, 4.6/10828=1 HB3 LYS 73 - HA ALA 67 lone 3 43 - 7 - 4.1/9579=2, 4.6/10828=1 QE MET 1 - HA ALA 71 lone 3 94 - 3 - HB2 GLU 37 - HA ALA 67 lone 2 45 - 4 - 8836/8934=1 HB2 LYS 24 - HA ALA 67 lone 2 52 - 3 - HB3 LYS 24 - HA ALA 67 lone 2 52 - 3 - HB2 LYS 47 - HA ALA 67 lone 2 54 - 3 - QE MET 1 - HA ALA 67 lone 1 47 - 2 - Peak 10348 from cnoeabs.peaks (1.89, 5.19, 58.80 ppm; 3.63 A): 4 out of 9 assignments used, quality = 0.85: HB VAL 54 + HA VAL 78 OK 75 99 - 75 - 11103=37, 3.9/11101=21...(13) HB3 LYS 68 + HA VAL 78 OK 17 65 - 26 - 2.9/9690=5, 10351/3.2=5...(10) HB2 ARG 19 + HA VAL 78 OK 15 100 - 15 - 10349/3.0=4, 9684/3.0=2...(7) HB ILE 8 + HA VAL 78 OK 15 98 - 15 - 10349/3.0=4, 9684/3.0=2...(6) HB3 LEU 14 - HA VAL 78 lone 7 84 - 8 - 10349/3.0=2, 9684/3.0=1 HG LEU 42 - HA VAL 78 lone 4 97 - 4 - 6896/11101=1 HB2 LYS 20 - HA VAL 78 lone 3 100 - 3 - HB2 GLU 43 - HA VAL 78 lone 1 70 - 1 - HB3 GLU 104 - HA VAL 78 lone 1 61 - 1 - Peak 10349 from cnoeabs.peaks (1.89, 1.78, 35.29 ppm; 4.14 A): 4 out of 7 assignments used, quality = 0.83: HB VAL 54 + HB VAL 78 OK 70 94 - 74 - 11104=29, 11103/3.0=28...(13) HB2 ARG 19 + HB VAL 78 OK 22 100 - 22 - 3.0/9687=4, 10348/3.0=4...(8) HB ILE 8 + HB VAL 78 OK 21 100 - 21 - 10348/3.0=4, 2.9/10287=3...(6) HB3 LEU 14 + HB VAL 78 OK 11 96 - 12 - 10348/3.0=2, 9684/3.8=1 HG LEU 42 - HB VAL 78 lone 5 100 - 5 - 9684/3.8=1 HB2 LYS 20 - HB VAL 78 lone 4 99 - 4 - HB2 GLU 43 - HB VAL 78 lone 2 87 - 2 - Peak 10350 from cnoeabs.peaks (1.88, 0.72, 21.10 ppm; 2.95 A): 5 out of 20 assignments used, quality = 0.85: HB VAL 5 + QG1 VAL 5 OK 46 46 - 100 - 2.1=100 HB VAL 54 + QG2 VAL 78 OK 43 92 - 47 - 11103/3.2=13...(12) HB3 LYS 68 + QG2 VAL 78 OK 28 99 - 28 - 10351/2.1=7, 3.0/10905=4...(12) HB VAL 5 + QG2 VAL 78 OK 22 81 - 27 - 2.1/10907=6, 10351/2.1=5...(10) HB VAL 54 + QG1 VAL 5 OK 12 55 - 22 - ~12127=6, ~12128=6...(5) HB3 LYS 68 - QG1 VAL 5 poor 9 64 - 15 - 181/2.1=2, ~10368=1...(6) HB3 LYS 39 - QG2 VAL 78 lone 8 84 - 9 - 10351/2.1=2, 3.6/10291=1 HB2 ARG 19 - QG2 VAL 78 poor 7 70 - 11 - 3.0/10905=2, 10351/2.1=2...(5) HB3 LYS 66 - QG2 VAL 78 lone 7 81 - 9 - 10351/2.1=2, 1.8/3486=1 HB3 LYS 12 - QG1 VAL 5 poor 6 57 - 11 - 181/2.1=1, ~181=1 HB2 LYS 12 - QG1 VAL 5 poor 6 53 - 11 - 181/2.1=1, ~181=1, 6053/4.0=1 HB3 LYS 39 - QG1 VAL 5 poor 5 48 - 10 - 181/2.1=1, 6053/4.0=1 HB3 LYS 12 - QG2 VAL 78 lone 5 94 - 5 - 10351/2.1=1 HB2 LYS 12 - QG2 VAL 78 lone 4 90 - 5 - 10351/2.1=1 HB3 LYS 66 - QG1 VAL 5 lone 3 46 - 7 - HB2 ARG 19 - QG1 VAL 5 lone 2 38 - 4 - ~10368=1 HB2 LYS 20 - QG2 VAL 78 lone 1 81 - 2 - HB3 GLU 104 - QG1 VAL 5 lone 1 63 - 2 - HB3 GLU 104 - QG2 VAL 78 lone 1 99 - 1 - HB2 LYS 20 - QG1 VAL 5 lone 0 46 - 1 - Peak 10351 from cnoeabs.peaks (1.88, 0.74, 21.24 ppm; 2.88 A): 3 out of 10 assignments used, quality = 0.61: HB VAL 54 + QG1 VAL 78 OK 37 92 - 41 - 11103/3.2=12...(12) HB3 LYS 68 + QG1 VAL 78 OK 26 99 - 26 - 3.0/10904=5, 10350/2.1=4...(11) HB VAL 5 + QG1 VAL 78 OK 17 81 - 22 - 2.1/3493=4, 10350/2.1=3...(9) HB3 LYS 39 - QG1 VAL 78 lone 7 84 - 8 - 1.8/3492=1, 3.6/10289=1...(4) HB2 ARG 19 - QG1 VAL 78 poor 7 70 - 10 - 3.0/10904=3, ~9687=1...(5) HB3 LYS 66 - QG1 VAL 78 lone 7 81 - 8 - 1.8/3492=2 HB3 LYS 12 - QG1 VAL 78 lone 4 94 - 4 - HB2 LYS 12 - QG1 VAL 78 lone 4 90 - 4 - HB2 LYS 20 - QG1 VAL 78 lone 1 81 - 2 - HB3 GLU 104 - QG1 VAL 78 lone 1 99 - 1 - Peak 10352 from cnoeabs.peaks (0.80, 1.97, 32.41 ppm; 4.31 A): 0 out of 27 assignments used, low quality = 0.41: QD1 ILE 76 - HB2 LYS 47 OK 21 100 - 21 - 9035/4.7=5, 9670=3...(9) QD1 ILE 76 - HB3 LYS 24 OK 13 55 - 24 - 9670=3, 9670/1.8=3...(9) QD1 ILE 76 - HB2 LYS 24 OK 13 55 - 24 - 9670=3, 9670/1.8=3...(9) QD2 LEU 2 - HB2 LYS 47 lone 9 98 - 10 - 4.7/6008=2, 9035/4.7=2 QD2 LEU 2 - HB2 LYS 24 poor 9 52 - 16 - 80/2.9=2, 78/3.6=2...(4) QD2 LEU 2 - HB3 LYS 24 poor 9 52 - 16 - 80/2.9=2, 78/3.6=2...(4) QG2 ILE 15 - HB2 LYS 47 lone 8 97 - 8 - 4.4/8476=1 QD2 LEU 70 - HB2 LYS 47 lone 8 99 - 8 - QD2 LEU 57 - HB2 LYS 47 lone 7 97 - 7 - 9035/4.7=1 QG2 ILE 7 - HB2 LYS 47 lone 6 99 - 6 - 9035/4.7=2 QD1 LEU 70 - HB2 LYS 47 lone 6 84 - 7 - QG2 ILE 8 - HB2 LYS 47 lone 5 73 - 7 - 9035/4.7=3 QG2 ILE 15 - HB2 LYS 24 lone 4 51 - 8 - QG2 ILE 15 - HB3 LYS 24 lone 4 51 - 8 - QD2 LEU 70 - HB3 LYS 24 lone 3 53 - 6 - 4.0/10815=1 QD2 LEU 70 - HB2 LYS 24 lone 3 53 - 6 - 4.0/10815=1 QD2 LEU 57 - HB2 LYS 24 lone 3 51 - 5 - QD2 LEU 57 - HB3 LYS 24 lone 3 51 - 5 - QD1 LEU 70 - HB3 LYS 24 lone 2 40 - 5 - 4.0/10815=1 QD1 LEU 70 - HB2 LYS 24 lone 2 40 - 5 - 4.0/10815=1 QG2 ILE 7 - HB3 LYS 24 lone 2 54 - 4 - QG2 ILE 7 - HB2 LYS 24 lone 2 54 - 4 - QD2 LEU 38 - HB2 LYS 47 lone 2 57 - 3 - 4.5/6581=1 QG2 ILE 8 - HB2 LYS 24 lone 1 34 - 2 - QG2 ILE 8 - HB3 LYS 24 lone 1 34 - 2 - QD2 LEU 38 - HB2 LYS 24 lone 0 25 - 2 - QD2 LEU 38 - HB3 LYS 24 lone 0 25 - 2 - Peak 10353 from cnoeabs.peaks (3.90, 2.42, 30.51 ppm; 6.05 A): 3 out of 8 assignments used, quality = 0.71: HA3 GLY 101 + HG3 MET 1 OK 45 97 - 46 - 10108/8022=20...(6) HA GLU 35 + HG3 MET 1 OK 40 84 - 49 - 3.0/32=7, 4.1/33=6...(19) HA GLU 63 + HG3 MET 1 OK 12 81 - 14 - ~2781=2, ~7020=2...(8) HA ARG 91 - HG3 MET 1 lone 9 87 - 10 - 3.0/8019=1, ~8037=1 HA GLU 43 - HG3 MET 1 poor 8 70 - 12 - ~6695=2, ~12303=2, ~1966=1 HA ALA 89 - HG3 MET 1 lone 6 100 - 6 - 4.8/9949=1 HB2 SER 85 - HG3 MET 1 lone 6 100 - 6 - ~9866=2, ~9873=1 HB2 SER 102 - HG3 MET 1 lone 3 98 - 3 - Peak 10354 from cnoeabs.peaks (4.15, 1.70, 43.59 ppm; 5.92 A): 3 out of 7 assignments used, quality = 0.95: HA MET 1 + HB2 LEU 2 OK 86 99 - 87 - 8002/3.0=40, 8/4.0=35...(10) HA LYS 73 + HB2 LEU 2 OK 43 65 - 65 - 3.0/59=13, 12297/3.1=13...(11) HA GLN 72 + HB2 LEU 2 OK 33 100 - 33 - 3.6/59=12, 10355/1.8=6...(6) HA LYS 13 - HB2 LEU 2 OK 26 100 - 26 - 10355/1.8=5, 12305/3.1=4...(10) HA LYS 47 - HB2 LEU 2 poor 9 92 - 10 - 6003/4.0=2, ~10352=2 HB2 SER 59 - HB2 LEU 2 lone 9 99 - 9 - 10355/1.8=2, 12305/3.1=2 HA GLU 23 - HB2 LEU 2 lone 8 97 - 8 - 10355/1.8=2 Peak 10355 from cnoeabs.peaks (4.16, 1.33, 43.59 ppm; 5.78 A): 3 out of 7 assignments used, quality = 0.96: HA MET 1 + HB3 LEU 2 OK 87 100 - 87 - 8002/3.0=39, 8/4.0=35...(10) HA LYS 73 + HB3 LEU 2 OK 54 84 - 65 - 12297/3.1=14, 3.0/67=13...(12) HA GLN 72 + HB3 LEU 2 OK 32 99 - 32 - 3.6/67=12, 10354/1.8=6...(5) HA LYS 13 - HB3 LEU 2 OK 29 99 - 29 - 10354/1.8=5, 12305/3.1=5...(13) HB2 SER 59 - HB3 LEU 2 OK 12 100 - 12 - 4.0/9398=2, 12305/3.1=2...(4) HA GLU 23 - HB3 LEU 2 poor 9 87 - 11 - 3.6/8592=2, 10354/1.8=2 HA LYS 47 - HB3 LEU 2 poor 8 77 - 10 - 6003/4.0=2, ~10352=2 Peak 10356 from cnoeabs.peaks (5.35, 1.51, 26.80 ppm; 5.36 A): 1 out of 1 assignment used, quality = 0.61: HA ILE 52 + HG LEU 2 OK 61 81 - 76 - 8049/2.1=42, 8044/4.7=20...(9) Peak 10358 from cnoeabs.peaks (6.45, 1.51, 26.80 ppm; 4.47 A): 4 out of 4 assignments used, quality = 0.98: HE1 TYR 4 + HG LEU 2 OK 64 100 - 64 - 8042/2.1=11, 8041/2.1=11...(16) HE2 TYR 4 + HG LEU 2 OK 64 100 - 64 - 8041/2.1=11, 8157/2.1=11...(16) HD1 TYR 4 + HG LEU 2 OK 61 90 - 69 - 8042/2.1=11, 8041/2.1=10...(19) HD2 TYR 4 + HG LEU 2 OK 61 90 - 68 - 8042/2.1=11, 8041/2.1=10...(19) Peak 10362 from cnoeabs.peaks (1.69, 0.46, 24.71 ppm; 5.06 A): 4 out of 22 assignments used, quality = 1.00: HB3 LYS 53 + QD1 LEU 3 OK 94 100 - 94 - ~9186=38, ~8115=23...(24) HB3 LYS 40 + QD1 LEU 3 OK 66 100 - 66 - 1799/3.1=10, 2.9/135=8...(23) HB2 LEU 2 + QD1 LEU 3 OK 63 77 - 81 - 3.0/8087=36, 4.6/6029=30...(8) HB ILE 52 + QD1 LEU 3 OK 48 73 - 66 - 4.5/9181=21, 3.0/8103=17...(11) HD3 LYS 90 - QD1 LEU 3 OK 42 92 - 45 - 2.9/136=6, ~3972=5...(14) HG2 PRO 86 - QD1 LEU 3 OK 29 98 - 30 - ~10958=10, 1.8/8096=6...(8) HG3 LYS 20 - QD1 LEU 3 OK 17 87 - 20 - ~9191=3, 3.0/8012=2...(9) HG12 ILE 15 - QD1 LEU 3 OK 17 97 - 17 - ~8467=3, ~10123=2...(8) HD2 LYS 20 - QD1 LEU 3 OK 16 94 - 16 - ~9191=2, 3.5/8012=2...(6) HB3 ARG 91 - QD1 LEU 3 OK 14 99 - 14 - 4.3/8075=4, 8114/2.1=1...(5) HD3 LYS 20 - QD1 LEU 3 OK 14 87 - 16 - ~9191=2, 3.5/8012=2...(6) HD2 LYS 73 - QD1 LEU 3 poor 8 61 - 12 - 6.4/132=4, 3.6/8097=2...(4) HD2 LYS 24 - QD1 LEU 3 lone 7 94 - 7 - 3.6/8097=1, 3.6/8097=1 HD3 LYS 24 - QD1 LEU 3 lone 6 92 - 7 - 3.6/8097=1, 3.6/8097=1 HD3 LYS 47 - QD1 LEU 3 lone 6 99 - 6 - 3.9/8097=2 HD2 LYS 47 - QD1 LEU 3 lone 6 98 - 6 - 3.9/8097=2 HG LEU 70 - QD1 LEU 3 lone 6 87 - 6 - 6019/4.7=2 HD3 LYS 12 - QD1 LEU 3 lone 4 81 - 5 - HD2 LYS 12 - QD1 LEU 3 lone 4 81 - 5 - HD3 LYS 66 - QD1 LEU 3 lone 4 77 - 5 - HD2 LYS 13 - QD1 LEU 3 lone 3 81 - 3 - HD3 LYS 13 - QD1 LEU 3 lone 2 73 - 3 - Peak 10363 from cnoeabs.peaks (2.42, 1.30, 27.70 ppm; 5.61 A): 1 out of 9 assignments used, quality = 1.00: HG3 MET 1 + HG LEU 3 OK 100 100 - 100 - 8022/2.1=50, 8021/2.1=45...(21) HG3 GLU 17 - HG LEU 3 OK 23 90 - 26 - 8099/2.1=5, 8095/2.1=4...(7) HG2 GLN 72 - HG LEU 3 OK 16 98 - 16 - 3217/5.0=4, 8099/2.1=3...(6) HG3 GLN 50 - HG LEU 3 poor 9 84 - 11 - 8099/2.1=2, 8095/2.1=2 HG3 GLU 48 - HG LEU 3 lone 8 90 - 9 - 8099/2.1=2, 8095/2.1=2 HB3 MET 21 - HG LEU 3 poor 7 61 - 11 - 4.0/8561=8 HG3 MET 21 - HG LEU 3 poor 7 65 - 10 - 5.1/8561=6 HG2 GLN 50 - HG LEU 3 lone 5 65 - 8 - ~8095=2, ~8099=2 HB2 ASP 11 - HG LEU 3 lone 3 81 - 4 - Peak 10365 from cnoeabs.peaks (8.48, 1.15, 44.04 ppm; 5.18 A): 4 out of 6 assignments used, quality = 0.93: H LYS 53 + HB3 LEU 3 OK 75 92 - 82 - 9182/3.1=36, 9181/3.1=27...(8) H VAL 32 + HB3 LEU 3 OK 41 100 - 40 - 6507=7, 10516/4.0=5...(12) H ILE 7 + HB3 LEU 3 OK 35 61 - 57 - 8064/3.0=10, 3.0/109=10...(11) H VAL 54 + HB3 LEU 3 OK 31 84 - 37 - 8122/4.4=14, 8078/3.1=9...(7) H ALA 67 - HB3 LEU 3 OK 17 100 - 17 - 8078/3.1=3, 8077/3.1=3...(5) H THR 31 - HB3 LEU 3 OK 15 61 - 25 - 4.6/6477=5, 4.6/6507=5...(7) Peak 10366 from cnoeabs.peaks (1.73, 5.14, 56.58 ppm; 4.92 A): 3 out of 7 assignments used, quality = 0.75: HB2 GLU 28 + HA TYR 4 OK 54 81 - 68 - 1.8/8657=25, 8656=19...(11) HD2 ARG 81 + HA TYR 4 OK 36 100 - 37 - 1.8/142=7, 3.4/8140=7...(14) HB ILE 15 + HA TYR 4 OK 13 100 - 13 - 2.9/8141=2, 3.2/8141=2...(4) HD2 LYS 90 - HA TYR 4 poor 10 90 - 11 - ~6036=3, 3.6/8136=2, ~8138=2 HD2 LYS 33 - HA TYR 4 lone 7 99 - 6 - 3.0/8135=2, ~6034=1 HD3 LYS 33 - HA TYR 4 lone 7 99 - 6 - 3.0/8135=2, ~6034=1 HB3 LEU 70 - HA TYR 4 lone 3 84 - 3 - Peak 10367 from cnoeabs.peaks (4.67, 0.95, 22.19 ppm; 4.77 A): 2 out of 2 assignments used, quality = 0.98: HA LEU 55 + QG2 VAL 5 OK 95 99 - 95 - 3.0/8198=38...(23) HA LEU 27 + QG2 VAL 5 OK 56 81 - 70 - 3.0/8633=22, 3.0/8634=15...(15) Peak 10368 from cnoeabs.peaks (3.81, 1.86, 33.82 ppm; 6.50 A): 4 out of 5 assignments used, quality = 0.81: HA LYS 68 + HB VAL 5 OK 46 94 - 49 - 8182/2.1=8, ~9531=5...(19) HA ARG 19 + HB VAL 5 OK 36 99 - 37 - 8182/2.1=6, 3.0/167=4...(13) HA ALA 22 + HB VAL 5 OK 32 87 - 37 - 8576/2.1=13, 8182/2.1=7...(9) HA SER 97 + HB VAL 5 OK 20 100 - 20 - 8182/2.1=6, ~10079=2...(5) HB3 SER 102 - HB VAL 5 lone 10 99 - 10 - 11090/2.1=4 Peak 10369 from cnoeabs.peaks (8.25, 0.73, 20.80 ppm; 5.40 A): 6 out of 8 assignments used, quality = 0.91: H ALA 71 + QG2 VAL 78 OK 53 62 - 86 - ~9685=34, ~10835=26...(10) H LEU 27 + QG1 VAL 5 OK 47 84 - 57 - 10370/2.1=16, ~10367=11...(9) H LYS 94 + QG1 VAL 5 OK 34 92 - 37 - 10370/2.1=15...(9) H ALA 71 + QG1 VAL 5 OK 29 98 - 29 - 10370/2.1=8, 10823/2.1=6...(7) H LEU 27 + QG2 VAL 78 OK 11 48 - 23 - 3.0/1185=4, 4.0/1201=2...(9) H PHE 45 + QG1 VAL 5 OK 11 98 - 11 - 10370/2.1=3, 10823/2.1=1 H LYS 94 - QG2 VAL 78 poor 6 55 - 10 - 11011/8195=1, 7510/2.1=1 H PHE 45 - QG2 VAL 78 lone 4 62 - 6 - Peak 10370 from cnoeabs.peaks (8.25, 0.95, 22.19 ppm; 5.13 A): 3 out of 4 assignments used, quality = 0.81: H LEU 27 + QG2 VAL 5 OK 50 84 - 60 - 4.0/8633=20, 4.0/8634=14...(8) H LYS 94 + QG2 VAL 5 OK 47 92 - 51 - 3.6/8176=34...(6) H ALA 71 + QG2 VAL 5 OK 26 98 - 26 - 10823/2.1=6, 10369/2.1=5...(10) H PHE 45 - QG2 VAL 5 lone 9 98 - 9 - 10369/2.1=2, 4125/8176=1 Peak 10372 from cnoeabs.peaks (1.83, 5.47, 52.09 ppm; 5.78 A): 4 out of 5 assignments used, quality = 0.87: HB3 LEU 57 + HA LEU 6 OK 74 94 - 79 - 3.9/8201=16, 8269/3.6=16...(18) HB2 LYS 68 + HA LEU 6 OK 32 99 - 32 - ~6060=5, 8269/3.6=4...(9) HB2 LYS 53 + HA LEU 6 OK 20 96 - 21 - 8269/3.6=9, 3.9/192=7 HG2 ARG 46 + HA LEU 6 OK 10 96 - 11 - 8269/3.6=4 HB3 LYS 90 - HA LEU 6 lone 9 100 - 9 - 8269/3.6=3 Peak 10373 from cnoeabs.peaks (0.99, 0.62, 13.69 ppm; 4.23 A): 0 out of 2 assignments used, low quality = 0.33: QG2 THR 80 - QD1 ILE 7 OK 20 81 - 25 - 9727/8260=7, 4.2/9735=4...(8) QG1 VAL 83 - QD1 ILE 7 OK 16 73 - 21 - 4.0/10380=6, 9797/9350=5...(5) Peak 10374 from cnoeabs.peaks (3.92, 1.42, 27.84 ppm; 5.78 A): 2 out of 4 assignments used, quality = 0.99: HB3 SER 9 + HG12 ILE 7 OK 97 100 - 98 - 8331/2.1=40, ~8325=32...(25) HA TYR 41 + HG12 ILE 7 OK 59 100 - 59 - 3.6/8913=12, 8257/1.8=12...(13) HA GLU 63 - HG12 ILE 7 OK 30 87 - 35 - 8257/1.8=7, 8259/2.1=7...(9) HA GLU 44 - HG12 ILE 7 OK 12 90 - 13 - 8265/3.2=3, 8257/1.8=2...(5) Peak 10375 from cnoeabs.peaks (2.99, 1.42, 27.84 ppm; 5.58 A): 2 out of 4 assignments used, quality = 0.99: HB2 SER 9 + HG12 ILE 7 OK 96 100 - 96 - 8325/2.1=39, ~8331=31...(22) HB3 ASP 11 + HG12 ILE 7 OK 67 100 - 67 - 4.0/8247=29, 8267/3.2=12...(13) HB2 PHE 45 - HG12 ILE 7 OK 26 90 - 29 - 8258/1.8=6, ~12099=6...(8) HE2 LYS 12 - HG12 ILE 7 OK 18 84 - 21 - 8262/2.1=4, 8267/3.2=3...(7) Peak 10377 from cnoeabs.peaks (8.91, 0.62, 13.69 ppm; 5.26 A): 3 out of 3 assignments used, quality = 0.97: H VAL 5 + QD1 ILE 7 OK 72 100 - 72 - 8246/2.1=16, 8245/3.0=14...(18) H LEU 57 + QD1 ILE 7 OK 71 81 - 88 - 3.0/9350=38, 3.9/9355=20...(16) H ARG 19 + QD1 ILE 7 OK 62 77 - 80 - 3.6/8278=44, 3.6/8260=30...(10) Peak 10378 from cnoeabs.peaks (8.65, 0.62, 13.69 ppm; 5.02 A): 3 out of 3 assignments used, quality = 0.94: H ALA 18 + QD1 ILE 7 OK 87 99 - 88 - 2.9/8278=46, 2.9/8260=31...(15) H ASN 10 + QD1 ILE 7 OK 44 92 - 48 - 4.6/8331=22, 4.6/8325=22...(6) H LEU 55 + QD1 ILE 7 OK 12 77 - 16 - 8199/8232=3...(7) Peak 10379 from cnoeabs.peaks (8.08, 0.62, 13.69 ppm; 5.66 A): 2 out of 6 assignments used, quality = 0.94: H ILE 15 + QD1 ILE 7 OK 91 100 - 91 - 3.0/8261=48, 4.6/8470=26...(17) H GLU 17 + QD1 ILE 7 OK 36 81 - 45 - 4.6/10378=19...(8) H LYS 13 - QD1 ILE 7 OK 32 100 - 33 - 634/8261=4, 6176/2.1=3...(13) H LYS 39 - QD1 ILE 7 OK 22 98 - 22 - 5.2/12172=4, 4.0/8287=3...(8) H GLU 75 - QD1 ILE 7 OK 12 100 - 12 - ~9616=3, 634/8261=1, 601/3.2=1 H SER 102 - QD1 ILE 7 lone 5 65 - 7 - 634/8261=1 Peak 10380 from cnoeabs.peaks (9.11, 0.62, 13.69 ppm; 6.28 A): 2 out of 2 assignments used, quality = 0.74: H ARG 30 + QD1 ILE 7 OK 53 90 - 59 - 8238/4.7=33, 4.6/273=11...(12) H VAL 83 + QD1 ILE 7 OK 46 97 - 47 - 4.0/10373=20...(8) Peak 10383 from cnoeabs.peaks (0.59, 1.90, 37.66 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.71: QG2 ILE 56 + HB ILE 8 OK 71 97 - 73 - 10673=15, 8313/3.2=14...(26) Peak 10384 from cnoeabs.peaks (4.59, 4.43, 58.24 ppm; 4.24 A): 2 out of 10 assignments used, quality = 0.68: HA ASP 11 + HA SER 9 OK 51 94 - 55 - 3.0/10387=18, ~10388=11...(12) HA ASP 77 + HA ILE 76 OK 35 51 - 69 - 3.0/7262=26, ~3424=11...(13) HA ASP 77 - HA SER 9 poor 9 65 - 14 - 3.0/7262=6, 3.0/10770=3 HA ASP 11 - HA ILE 76 poor 8 77 - 11 - 3.0/10387=4, ~9653=1...(4) HA THR 84 - HA ILE 76 lone 8 80 - 10 - 7268/3.6=2, 3762=2...(4) HA THR 84 - HA SER 9 lone 8 96 - 8 - 3762=1, 3.0/7364=1, 3.6/7370=1 HB THR 34 - HA SER 9 lone 5 96 - 5 - 4.0/8764=3 HB THR 34 - HA ILE 76 lone 4 80 - 4 - 4.0/8764=3 HA HIS 105 - HA SER 9 lone 1 98 - 1 - HA HIS 105 - HA ILE 76 lone 1 83 - 1 - Peak 10386 from cnoeabs.peaks (5.92, 2.93, 39.13 ppm; 5.46 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10391 from cnoeabs.peaks (0.77, 1.70, 29.09 ppm; 2.82 A): 8 out of 72 assignments used, quality = 0.90: QD1 ILE 15 + HG12 ILE 15 OK 36 36 - 100 - 2.1=100 QD1 ILE 15 + HD2 LYS 12 OK 30 84 - 36 - 681=4, 8445/3.0=3...(14) QD1 ILE 15 + HD3 LYS 12 OK 30 84 - 36 - 681=4, 8445/3.0=3...(14) HG13 ILE 15 + HG12 ILE 15 OK 26 26 - 100 - 1.8=100 HG13 ILE 15 + HD2 LYS 12 OK 21 65 - 32 - 2.1/681=3, 8381/5.2=2...(11) HG13 ILE 15 + HD3 LYS 12 OK 21 65 - 32 - 2.1/681=3, 8381/5.2=2...(11) QD1 ILE 15 + HD2 LYS 13 OK 16 77 - 22 - 681=2, 10852/3.0=2...(8) QD1 LEU 27 + HD2 LYS 12 OK 16 99 - 16 - 10392/3.0=2, 1224/3.0=2...(5) QD1 LEU 27 - HD3 LYS 12 OK 16 99 - 16 - 10392/3.0=2, 1224/3.0=2...(5) QD1 ILE 15 - HD3 LYS 13 OK 16 75 - 22 - 681=2, 10852/3.0=2...(7) QD1 ILE 15 - HD3 LYS 90 OK 14 44 - 32 - 679/1.8=4, 681=3...(16) QD1 ILE 93 - HD3 LYS 90 OK 12 60 - 20 - 10025/5.2=4, 4164/3.6=3...(7) HG13 ILE 15 - HD2 LYS 13 OK 11 59 - 20 - 2.1/681=2, 10852/3.0=1...(8) HG13 ILE 15 - HD3 LYS 13 OK 11 57 - 20 - 2.1/681=2, 10852/3.0=1...(7) HG13 ILE 15 - HD3 LYS 90 OK 10 33 - 32 - 2.1/681=3, ~679=2...(20) QD2 LEU 42 - HD3 LYS 90 OK 10 57 - 18 - 1946/2.9=2, 1945/3.6=2...(6) QG2 ILE 52 - HD2 LYS 12 lone 6 98 - 6 - 10392/3.0=1 QG2 ILE 52 - HD3 LYS 12 lone 6 98 - 6 - 10392/3.0=1 QG1 VAL 54 - HD3 LYS 12 lone 5 90 - 6 - QG1 VAL 54 - HD2 LYS 12 lone 5 90 - 6 - QD2 LEU 42 - HD2 LYS 12 lone 5 98 - 5 - QD2 LEU 42 - HD3 LYS 12 lone 5 98 - 5 - QD1 ILE 15 - HD3 LYS 24 lone 5 66 - 7 - QD1 ILE 93 - HG12 ILE 15 lone 4 49 - 9 - 4167/1.8=1 QD1 ILE 15 - HD2 LYS 24 lone 4 62 - 7 - QD2 LEU 42 - HD2 LYS 13 lone 4 92 - 4 - QD2 LEU 42 - HD3 LYS 13 lone 4 91 - 4 - QD1 ILE 93 - HD2 LYS 12 lone 4 100 - 4 - QD1 ILE 93 - HD3 LYS 12 lone 4 100 - 4 - QG1 VAL 54 - HD2 LYS 13 lone 4 83 - 4 - 10210/3.0=1 QG1 VAL 54 - HD3 LYS 13 lone 3 81 - 4 - 10210/3.0=1 QD1 LEU 27 - HD3 LYS 24 lone 3 84 - 3 - QD2 LEU 42 - HG12 ILE 15 lone 3 46 - 6 - HG13 ILE 15 - HD3 LYS 24 lone 3 50 - 6 - QG2 ILE 52 - HD2 LYS 13 lone 3 92 - 3 - QG1 VAL 54 - HG12 ILE 15 lone 3 39 - 7 - QG2 ILE 52 - HD3 LYS 13 lone 3 91 - 3 - QD1 LEU 27 - HD2 LYS 24 lone 3 79 - 3 - HG13 ILE 15 - HD2 LYS 24 lone 3 46 - 6 - QG2 ILE 52 - HD3 LYS 24 lone 3 81 - 3 - QG2 ILE 52 - HD2 LYS 24 lone 2 77 - 3 - QD1 ILE 93 - HD2 LYS 13 lone 2 95 - 2 - QD2 LEU 42 - HD3 LYS 24 lone 2 81 - 3 - QD1 LEU 27 - HG12 ILE 15 lone 2 48 - 5 - QD1 ILE 93 - HD3 LYS 13 lone 2 94 - 2 - QD2 LEU 42 - HD2 LYS 24 lone 2 77 - 3 - QD1 ILE 93 - HD3 LYS 24 lone 2 85 - 3 - QD1 ILE 93 - HD2 LYS 24 lone 2 80 - 3 - QD1 LEU 6 - HG12 ILE 15 lone 2 49 - 4 - QD1 LEU 27 - HD3 LYS 90 lone 2 59 - 3 - QD1 LEU 27 - HD2 LYS 13 lone 2 95 - 2 - QD1 LEU 27 - HD3 LYS 13 lone 2 93 - 2 - QG2 ILE 52 - HG12 ILE 15 lone 1 46 - 3 - QG2 ILE 8 - HD3 LYS 12 lone 1 81 - 2 - QG2 ILE 8 - HD2 LYS 12 lone 1 81 - 2 - QG1 VAL 54 - HD3 LYS 24 lone 1 71 - 2 - QG1 VAL 54 - HD2 LYS 24 lone 1 67 - 2 - QG2 ILE 52 - HD3 LYS 90 lone 1 57 - 2 - QD1 LEU 6 - HD2 LYS 12 lone 1 100 - 1 - QD1 LEU 6 - HD3 LYS 12 lone 1 100 - 1 - QG1 VAL 54 - HD3 LYS 90 lone 1 49 - 2 - QD1 LEU 6 - HD3 LYS 24 lone 1 85 - 1 - QG2 ILE 8 - HG12 ILE 15 lone 1 34 - 3 - QD1 LEU 6 - HD2 LYS 24 lone 1 81 - 1 - QG2 ILE 8 - HD2 LYS 13 lone 1 73 - 1 - QG2 ILE 8 - HD3 LYS 13 lone 1 72 - 1 - QD1 LEU 6 - HD2 LYS 13 lone 1 96 - 1 - QD1 LEU 6 - HD3 LYS 13 lone 1 94 - 1 - QD1 LEU 6 - HD3 LYS 90 lone 1 60 - 1 - QG2 ILE 8 - HD3 LYS 24 lone 0 63 - 1 - QG2 ILE 8 - HD2 LYS 24 lone 0 59 - 1 - QG2 ILE 8 - HD3 LYS 90 lone 0 42 - 1 - Peak 10392 from cnoeabs.peaks (0.78, 3.01, 41.80 ppm; 5.00 A): 3 out of 9 assignments used, quality = 0.64: QD1 ILE 15 + HE2 LYS 12 OK 40 70 - 58 - 4.2/8451=8, 8381/6.3=5...(22) QD1 LEU 27 + HE2 LYS 12 OK 29 96 - 31 - 10484/4.8=5, 10484/4.8=5...(10) QG2 ILE 52 + HE2 LYS 12 OK 16 100 - 16 - 9166/1.8=3, 3.2/463=1...(5) QD2 LEU 42 - HE2 LYS 12 poor 10 92 - 10 - 8923/1.8=2, 8924/6.3=2, ~8971=1 QG1 VAL 54 - HE2 LYS 12 poor 9 77 - 11 - 10658/6.3=2, ~10651=2 QD1 ILE 93 - HE2 LYS 12 lone 7 97 - 8 - 10327/4.0=2 QG2 ILE 8 - HE2 LYS 12 lone 5 92 - 5 - QD1 LEU 6 - HE2 LYS 12 lone 2 98 - 2 - QD2 LEU 57 - HE2 LYS 12 lone 2 61 - 3 - Peak 10393 from cnoeabs.peaks (0.76, 2.96, 41.80 ppm; 4.72 A): 5 out of 70 assignments used, quality = 0.93: QD1 ILE 15 + HE3 LYS 12 OK 62 99 - 63 - 8445/1.8=13, 8438/7.3=8...(19) HG13 ILE 15 + HE3 LYS 12 OK 54 94 - 58 - ~8445=9, ~10392=9...(19) QD1 LEU 27 + HE3 LYS 12 OK 31 99 - 31 - 10392/1.8=6, 10484/4.8=5...(10) QD1 ILE 15 + HE2 LYS 13 OK 25 90 - 28 - 10852/3.8=6, 8383/7.3=3...(9) QD1 ILE 15 + HE3 LYS 13 OK 22 79 - 28 - 10852/3.8=6, 8383/7.3=3...(9) HG13 ILE 15 - HE2 LYS 13 OK 19 82 - 24 - 10852/3.8=5, 8383/7.3=3...(9) HG13 ILE 15 - HE3 LYS 13 OK 17 71 - 24 - 10852/3.8=5, 8383/7.3=3...(9) QG1 VAL 54 - HE3 LYS 12 OK 14 100 - 14 - 10658/6.3=3, 10392/1.8=2...(4) QD2 LEU 42 - HE3 LYS 12 OK 13 100 - 13 - 8923=2, 10392/1.8=2...(5) QD2 LEU 42 - HE2 LYS 13 OK 12 91 - 13 - 10852/3.8=2, 8923=2...(6) QD1 ILE 15 - HE2 LYS 24 OK 11 97 - 11 - 8437/7.4=1 QD1 ILE 15 - HE3 LYS 24 OK 11 97 - 11 - 8437/7.4=1 QG2 ILE 52 - HE3 LYS 12 OK 11 77 - 14 - 10392/1.8=3, 9166=2...(4) QD2 LEU 42 - HE3 LYS 13 OK 10 80 - 13 - 10852/3.8=2, 8923/1.8=2...(6) QD2 LEU 42 - HE2 LYS 24 OK 10 97 - 10 - 8923=1, 8923/1.8=1 QD2 LEU 42 - HE3 LYS 24 OK 10 97 - 10 - 8923=1, 8923/1.8=1 QG1 VAL 54 - HE2 LYS 13 poor 10 91 - 10 - 10210/3.8=3, 10852/3.8=2 HG13 ILE 15 - HE2 LYS 24 lone 9 90 - 10 - 8464/3.7=1 HG13 ILE 15 - HE3 LYS 24 lone 9 90 - 10 - 8464/3.7=1 QG1 VAL 54 - HE3 LYS 13 poor 8 80 - 10 - 10210/3.8=3, 10852/3.8=2 QD1 ILE 93 - HE3 LYS 12 lone 8 98 - 8 - 10327/4.0=2, 10392/1.8=2 QG2 ILE 52 - HE2 LYS 47 poor 7 43 - 16 - 3.1/9174=2, 9166=2...(5) QG2 ILE 52 - HE3 LYS 47 poor 7 43 - 16 - 3.1/9174=2, 9166=2...(5) QG2 ILE 52 - HE3 LYS 24 lone 7 73 - 10 - 3.1/9174=1, 9166=1 QG2 ILE 52 - HE2 LYS 24 lone 7 73 - 10 - 3.1/9174=1, 9166=1 QG2 ILE 52 - HE2 LYS 13 poor 7 65 - 10 - 3.1/9174=1, 9166=1 QD2 LEU 42 - HE3 LYS 47 lone 6 64 - 10 - 8923=2, 8923/1.8=2...(4) QD2 LEU 42 - HE2 LYS 47 lone 6 64 - 10 - 8923=2, 8923/1.8=2...(4) QD1 LEU 27 - HE3 LYS 24 lone 6 96 - 7 - QD1 LEU 27 - HE2 LYS 24 lone 6 96 - 7 - QG2 ILE 93 - HE3 LYS 12 lone 6 84 - 7 - ~10392=1, 10853/4.0=1 QG2 ILE 52 - HE3 LYS 13 poor 6 55 - 10 - 3.1/9174=1 QG1 VAL 54 - HE2 LYS 47 lone 5 65 - 8 - 10656/1.8=1, ~9237=1 QG1 VAL 54 - HE3 LYS 47 lone 5 65 - 8 - 10656/1.8=1, ~9237=1 QD1 ILE 15 - HE2 LYS 47 lone 5 64 - 8 - 10852/3.8=1 QD1 ILE 15 - HE3 LYS 47 lone 5 64 - 8 - 10852/3.8=1 QD1 ILE 93 - HE2 LYS 13 lone 5 88 - 6 - 10327/3.8=1 QD1 LEU 27 - HE2 LYS 13 lone 5 89 - 5 - QG1 VAL 54 - HE2 LYS 24 lone 4 98 - 4 - QG1 VAL 54 - HE3 LYS 24 lone 4 98 - 4 - HG13 ILE 15 - HE2 LYS 47 lone 4 57 - 7 - 10852/3.8=1, 8444/1.8=1 HG13 ILE 15 - HE3 LYS 47 lone 4 57 - 7 - 10852/3.8=1, 8444/1.8=1 QD1 ILE 93 - HE2 LYS 24 lone 4 95 - 4 - QD1 ILE 93 - HE3 LYS 24 lone 4 95 - 4 - QD1 LEU 27 - HE3 LYS 13 lone 4 78 - 5 - QD1 ILE 93 - HE3 LYS 13 lone 4 76 - 5 - 10327/3.8=1 QG2 ILE 93 - HE3 LYS 24 lone 3 80 - 4 - 11000/3.7=1 QG2 ILE 93 - HE2 LYS 24 lone 3 80 - 4 - 11000/3.7=1 QG2 ILE 93 - HE2 LYS 13 lone 3 72 - 4 - QD1 LEU 6 - HE3 LYS 12 lone 3 97 - 3 - QD1 LEU 6 - HE3 LYS 24 lone 3 94 - 3 - QD1 LEU 6 - HE2 LYS 24 lone 3 94 - 3 - QG1 VAL 78 - HE3 LYS 12 lone 3 65 - 4 - QG2 ILE 93 - HE3 LYS 13 lone 2 61 - 4 - QD1 LEU 6 - HE2 LYS 13 lone 2 86 - 2 - QG1 VAL 78 - HE2 LYS 13 lone 2 55 - 3 - QD1 LEU 6 - HE3 LYS 13 lone 2 75 - 2 - QD1 ILE 93 - HE2 LYS 47 lone 2 61 - 3 - QD1 ILE 93 - HE3 LYS 47 lone 2 61 - 3 - QD1 LEU 27 - HE2 LYS 47 lone 2 63 - 3 - QD1 LEU 27 - HE3 LYS 47 lone 2 63 - 3 - QG1 VAL 78 - HE3 LYS 13 lone 2 46 - 3 - QD1 LEU 6 - HE2 LYS 47 lone 1 60 - 2 - QD1 LEU 6 - HE3 LYS 47 lone 1 60 - 2 - QG2 ILE 93 - HE2 LYS 47 lone 1 48 - 2 - QG2 ILE 93 - HE3 LYS 47 lone 1 48 - 2 - QG1 VAL 78 - HE2 LYS 24 lone 1 61 - 1 - QG1 VAL 78 - HE3 LYS 24 lone 1 61 - 1 - QG1 VAL 78 - HE3 LYS 47 lone 1 36 - 2 - QG1 VAL 78 - HE2 LYS 47 lone 1 36 - 2 - Peak 10394 from cnoeabs.peaks (0.80, 1.43, 25.00 ppm; 4.71 A): 7 out of 9 assignments used, quality = 0.89: QG2 ILE 15 + HG2 LYS 13 OK 48 99 - 49 - 4.0/517=9, 10395/1.8=5...(18) QD1 ILE 76 + HG2 LYS 13 OK 33 99 - 33 - 4.7/527=7, 10395/1.8=3...(14) QG2 ILE 7 + HG2 LYS 13 OK 29 98 - 29 - 253=3, 3.0/277=3...(10) QD2 LEU 2 + HG2 LYS 13 OK 25 99 - 25 - 12305/3.9=3, 10395/1.8=3...(7) QD2 LEU 70 + HG2 LYS 13 OK 19 100 - 18 - 10395/1.8=2, ~10959=2...(5) QD1 LEU 70 + HG2 LYS 13 OK 16 90 - 18 - 10395/1.8=2, ~10959=2...(4) QD2 LEU 57 + HG2 LYS 13 OK 13 94 - 14 - 3.1/12134=3, 10395/1.8=2...(6) QD2 LEU 38 - HG2 LYS 13 poor 7 65 - 11 - ~12068=2, 1657/4.8=2...(5) QG2 ILE 8 - HG2 LYS 13 lone 6 65 - 10 - 4.0/6090=2 Peak 10395 from cnoeabs.peaks (0.80, 1.50, 25.00 ppm; 3.97 A): 14 out of 32 assignments used, quality = 0.93: QG2 ILE 15 + HG3 LYS 13 OK 36 94 - 39 - 10394/1.8=7, 3.0/10852=4...(16) QD1 ILE 76 + HG3 LYS 13 OK 22 100 - 22 - 10394/1.8=5, 4.7/538=3...(8) QD2 LEU 2 + HG3 LYS 13 OK 19 96 - 20 - 10394/1.8=4, 12305/3.9=2...(4) QD1 ILE 76 + HG2 LYS 73 OK 18 92 - 20 - 12297/4.1=2, 10854/3.0=2...(7) QG2 ILE 7 + HG3 LYS 13 OK 17 100 - 17 - 10394/1.8=4, ~277=2...(6) QD2 LEU 70 + HG2 LYS 73 OK 17 86 - 20 - 4.0/10813=5, 9577/4.9=3...(7) QD2 LEU 70 + HG3 LYS 13 OK 15 97 - 16 - 10394/1.8=3, 2.1/10959=2...(4) QD2 LEU 2 + HG2 LYS 73 OK 15 84 - 18 - 83/4.9=5, 12297/4.1=5...(4) QD2 LEU 57 + HG3 LYS 13 OK 14 99 - 14 - 10394/1.8=2, 2637=2...(6) QG2 ILE 15 + HG3 LYS 33 OK 13 64 - 20 - 655/3.0=2, 655/3.0=2...(6) QD1 ILE 76 + HG2 LYS 47 OK 12 87 - 14 - 10352/3.0=4, 9669/3.8=1 QD1 LEU 70 + HG3 LYS 13 OK 12 77 - 15 - 10394/1.8=2, 2.1/10959=2...(4) QD1 LEU 70 + HG2 LYS 73 OK 11 65 - 17 - 4.0/10813=5, 9577/4.9=2...(8) QD2 LEU 57 + HG2 LYS 73 OK 11 89 - 12 - 2637=2, 10854/3.0=1, 10854/3.0=1 QG2 ILE 15 - HG2 LYS 73 poor 8 82 - 10 - 12297/4.1=1, 9577/4.9=1 QD2 LEU 57 - HG2 LYS 47 lone 7 84 - 8 - 10352/3.0=1 QG2 ILE 15 - HG2 LYS 47 lone 7 77 - 9 - 10352/3.0=1 QD2 LEU 70 - HG2 LYS 47 lone 6 81 - 8 - 10352/3.0=1 QD2 LEU 57 - HG3 LYS 33 lone 6 71 - 8 - 2.1/2645=1, 2637=1 QG2 ILE 8 - HG2 LYS 73 lone 5 69 - 8 - 12205/2.9=1, 12205/2.9=1 QG2 ILE 7 - HG2 LYS 73 lone 5 91 - 6 - QD2 LEU 2 - HG2 LYS 47 lone 5 79 - 6 - 10352/3.0=2 QD1 LEU 70 - HG2 LYS 47 lone 4 61 - 7 - 10352/3.0=1 QG2 ILE 8 - HG3 LYS 13 lone 4 81 - 5 - QG2 ILE 7 - HG2 LYS 47 lone 4 86 - 5 - 10352/3.0=1 QG2 ILE 7 - HG3 LYS 33 lone 4 73 - 6 - QD2 LEU 70 - HG3 LYS 33 lone 4 68 - 6 - QD1 ILE 76 - HG3 LYS 33 lone 3 74 - 4 - ~9654=1 QD2 LEU 2 - HG3 LYS 33 lone 3 66 - 5 - QG2 ILE 8 - HG2 LYS 47 lone 3 64 - 5 - QD1 LEU 70 - HG3 LYS 33 lone 3 50 - 6 - QG2 ILE 8 - HG3 LYS 33 lone 1 52 - 2 - Peak 10396 from cnoeabs.peaks (0.76, 1.70, 28.93 ppm; 3.63 A): 4 out of 60 assignments used, quality = 0.95: QD1 ILE 15 + HD2 LYS 12 OK 58 95 - 61 - 8445/3.0=7, 8466/3.6=6...(21) QD1 ILE 15 + HD3 LYS 12 OK 58 95 - 61 - 8445/3.0=7, 8466/3.6=6...(21) HG13 ILE 15 + HD2 LYS 12 OK 49 87 - 57 - 8381/5.2=5, 673=5...(25) HG13 ILE 15 + HD3 LYS 12 OK 49 87 - 57 - 8381/5.2=5, 673=5...(25) QD1 ILE 15 - HD2 LYS 13 OK 38 99 - 38 - 10852/3.0=4, 681=3...(18) QD1 ILE 15 - HD3 LYS 13 OK 37 98 - 38 - 10852/3.0=4, 681/1.8=3...(18) HG13 ILE 15 - HD2 LYS 13 OK 33 94 - 36 - 10852/3.0=4, 673=3...(17) HG13 ILE 15 - HD3 LYS 13 OK 33 92 - 36 - 10852/3.0=4, 673=3...(18) QD1 LEU 27 - HD3 LYS 12 OK 26 94 - 28 - 10484/3.6=3, 10484/3.6=3...(10) QD1 LEU 27 - HD2 LYS 12 OK 26 94 - 28 - 10484/3.6=3, 10484/3.6=3...(10) QD1 ILE 15 - HD3 LYS 24 OK 12 94 - 13 - QD1 ILE 15 - HD2 LYS 24 OK 12 90 - 13 - QG1 VAL 54 - HD3 LYS 12 OK 11 96 - 11 - 10658/5.2=2, 3.2/10651=1 QG1 VAL 54 - HD2 LYS 12 OK 11 96 - 11 - 10658/5.2=2, 3.2/10651=1 HG13 ILE 15 - HD3 LYS 24 OK 10 86 - 11 - HG13 ILE 15 - HD2 LYS 24 poor 10 82 - 11 - QG1 VAL 54 - HD2 LYS 13 lone 9 100 - 9 - 10210/3.0=3, 10852/3.0=1 QG1 VAL 54 - HD3 LYS 13 lone 9 99 - 9 - 10210/3.0=3, 10852/3.0=1 QD2 LEU 42 - HD2 LYS 13 lone 9 100 - 9 - 10852/3.0=1 QD2 LEU 42 - HD3 LYS 13 lone 9 99 - 9 - 10852/3.0=1 QD2 LEU 42 - HD2 LYS 12 lone 9 95 - 9 - 8924/5.2=1 QD2 LEU 42 - HD3 LYS 12 lone 9 95 - 9 - 8924/5.2=1 QD1 ILE 93 - HD3 LYS 12 lone 7 92 - 7 - 10327/3.0=1 QD1 ILE 93 - HD2 LYS 12 lone 7 92 - 7 - 10327/3.0=1 QG2 ILE 52 - HD2 LYS 12 lone 7 70 - 9 - 10392/3.0=2, 3.2/12271=1 QG2 ILE 52 - HD3 LYS 12 lone 7 70 - 9 - 10392/3.0=2, 3.2/12271=1 QD1 LEU 27 - HD3 LYS 24 lone 5 93 - 6 - QD2 LEU 42 - HD3 LYS 24 lone 5 94 - 6 - QD1 LEU 27 - HD2 LYS 24 lone 5 89 - 6 - QD2 LEU 42 - HD2 LYS 24 lone 5 91 - 6 - QD1 ILE 93 - HD2 LYS 13 lone 5 98 - 5 - 10327/3.0=1 QG2 ILE 93 - HD3 LYS 12 lone 5 77 - 6 - QG2 ILE 93 - HD2 LYS 12 lone 5 77 - 6 - QD1 ILE 93 - HD3 LYS 13 lone 5 97 - 5 - 10327/3.0=1 QD1 ILE 93 - HD3 LYS 24 lone 4 92 - 5 - QD1 ILE 93 - HD2 LYS 24 lone 4 87 - 5 - QD1 LEU 27 - HD2 LYS 13 lone 4 99 - 4 - QD1 LEU 27 - HD3 LYS 13 lone 4 98 - 4 - QG2 ILE 52 - HD2 LYS 13 lone 3 77 - 4 - QG2 ILE 52 - HD3 LYS 13 lone 3 75 - 4 - QG2 ILE 52 - HD3 LYS 24 lone 3 69 - 5 - QG2 ILE 93 - HD2 LYS 13 lone 3 84 - 4 - QG1 VAL 54 - HD3 LYS 24 lone 3 95 - 3 - QG2 ILE 93 - HD3 LYS 13 lone 3 82 - 4 - QG2 ILE 52 - HD2 LYS 24 lone 3 65 - 5 - QG1 VAL 54 - HD2 LYS 24 lone 3 91 - 3 - QG2 ILE 93 - HD3 LYS 24 lone 3 76 - 4 - QG2 ILE 93 - HD2 LYS 24 lone 3 71 - 4 - QG1 VAL 78 - HD2 LYS 13 lone 2 65 - 3 - QG1 VAL 78 - HD3 LYS 13 lone 2 64 - 3 - QD1 LEU 6 - HD2 LYS 12 lone 2 91 - 2 - QD1 LEU 6 - HD3 LYS 12 lone 2 91 - 2 - QG1 VAL 78 - HD3 LYS 12 lone 2 59 - 3 - QG1 VAL 78 - HD2 LYS 12 lone 2 59 - 3 - QD1 LEU 6 - HD3 LYS 24 lone 2 90 - 2 - QD1 LEU 6 - HD2 LYS 24 lone 2 86 - 2 - QD1 LEU 6 - HD2 LYS 13 lone 2 97 - 2 - QD1 LEU 6 - HD3 LYS 13 lone 2 96 - 2 - QG1 VAL 78 - HD3 LYS 24 lone 1 58 - 1 - QG1 VAL 78 - HD2 LYS 24 lone 1 54 - 1 - Peak 10398 from cnoeabs.peaks (0.80, 1.35, 28.11 ppm; 4.82 A): 5 out of 8 assignments used, quality = 1.00: QG2 ILE 7 + HG LEU 14 OK 86 100 - 87 - ~12015=12, 3.0/12172=11...(32) QG2 ILE 15 + HG LEU 14 OK 71 94 - 76 - 3.2/8409=26, ~8413=24...(14) QG2 ILE 8 + HG LEU 14 OK 65 81 - 81 - 2.1/613=9, 3.0/616=7...(35) QD1 ILE 76 + HG LEU 14 OK 49 100 - 49 - 10878/4.3=8, 4.7/610=8...(12) QD2 LEU 70 + HG LEU 14 OK 48 97 - 50 - ~9544=10, ~9545=8...(21) QD2 LEU 2 - HG LEU 14 OK 43 96 - 45 - ~12275=4, 2.1/612=4...(21) QD1 LEU 70 - HG LEU 14 OK 36 77 - 47 - ~9544=10, ~9545=8...(17) QD2 LEU 57 - HG LEU 14 OK 35 99 - 35 - 10696/2.1=4, 3.1/12135=3...(13) Peak 10399 from cnoeabs.peaks (0.98, 1.35, 28.11 ppm; 5.26 A): 2 out of 3 assignments used, quality = 0.95: QG2 THR 80 + HG LEU 14 OK 90 100 - 90 - 10403/2.1=29...(28) QG2 VAL 83 + HG LEU 14 OK 50 73 - 68 - 10402/2.1=18...(16) HG LEU 55 - HG LEU 14 OK 22 77 - 28 - 10402/2.1=5, 10403/2.1=4...(9) Peak 10400 from cnoeabs.peaks (2.10, 1.35, 28.11 ppm; 4.70 A): 4 out of 9 assignments used, quality = 1.00: HB3 PRO 86 + HG LEU 14 OK 95 100 - 95 - 2.3/8407=27, ~8411=20...(28) HB2 PRO 86 + HG LEU 14 OK 75 81 - 93 - 2.3/8407=27, ~8411=20...(25) HB VAL 83 + HG LEU 14 OK 61 97 - 63 - ~10402=13, ~10403=11...(12) HB2 LEU 64 + HG LEU 14 OK 49 97 - 50 - 9474/2.1=11, ~9477=9...(13) QE MET 21 - HG LEU 14 OK 18 97 - 18 - 10445/2.1=5, 10407/2.1=3...(4) HG3 GLU 37 - HG LEU 14 lone 8 99 - 8 - 8849/10336=1 HG3 GLU 104 - HG LEU 14 lone 4 96 - 5 - HB3 GLU 62 - HG LEU 14 lone 4 70 - 5 - 10407/2.1=2 HB2 GLU 23 - HG LEU 14 lone 4 61 - 6 - 4.6/8592=1 Peak 10401 from cnoeabs.peaks (0.80, 1.52, 41.23 ppm; 3.23 A): 5 out of 18 assignments used, quality = 1.00: QG2 ILE 7 + HB ILE 7 OK 90 90 - 100 - 2.1=100 QG2 ILE 7 + HB2 LEU 14 OK 61 100 - 61 - 251=9, 3.0/247=7...(31) QD2 LEU 57 + HB ILE 7 OK 55 91 - 60 - ~8271=7, 236/3.0=4...(25) QG2 ILE 8 + HB2 LEU 14 OK 51 94 - 55 - 299/1.8=5, 2.1/597=4...(33) QG2 ILE 8 + HB ILE 7 OK 50 81 - 62 - 297/4.5=6, 302/2.9=5...(32) QD1 ILE 76 - HB ILE 7 OK 42 88 - 48 - 3452/2.9=6, 3454/2.9=4...(27) QD2 LEU 2 - HB ILE 7 OK 39 71 - 56 - 2.1/88=6, 80=6, 3.1/64=4...(31) QG2 ILE 15 - HB ILE 7 OK 33 68 - 49 - ~8261=6, ~8470=6...(23) QG2 ILE 15 - HB2 LEU 14 OK 32 81 - 40 - ~8413=6, ~8409=6...(14) QD1 ILE 76 - HB2 LEU 14 OK 25 99 - 25 - 10878/3.0=5, 3449/3.8=3...(11) QD2 LEU 2 - HB2 LEU 14 OK 23 84 - 28 - 2.1/88=3, 80=3, 3.1/56=2...(11) QD2 LEU 70 - HB2 LEU 14 OK 20 87 - 23 - ~9544=3, ~9545=3...(9) QD2 LEU 57 - HB2 LEU 14 OK 16 100 - 16 - 10696/3.1=3, 10696/3.1=2...(4) QD1 LEU 70 - HB2 LEU 14 OK 12 57 - 21 - ~9544=3, ~9545=3...(8) QG2 ILE 52 - HB2 LEU 14 lone 6 70 - 8 - QD2 LEU 70 - HB ILE 7 lone 6 74 - 7 - QG2 ILE 52 - HB ILE 7 lone 5 58 - 10 - 4.3/241=1, 2357/4.0=1 QD1 LEU 70 - HB ILE 7 lone 3 47 - 6 - Peak 10402 from cnoeabs.peaks (0.98, 0.68, 25.64 ppm; 3.03 A): 2 out of 3 assignments used, quality = 0.69: QG2 THR 80 + QD1 LEU 14 OK 52 99 - 53 - 10403/2.1=17, 2.1/619=9...(14) QG2 VAL 83 + QD1 LEU 14 OK 35 87 - 41 - 10403/2.1=10...(15) HG LEU 55 - QD1 LEU 14 poor 9 90 - 10 - 10403/2.1=3, 10399/2.1=1 Peak 10403 from cnoeabs.peaks (0.98, 0.71, 24.35 ppm; 3.13 A): 2 out of 3 assignments used, quality = 0.69: QG2 THR 80 + QD2 LEU 14 OK 55 100 - 55 - 10402/2.1=18, 2.1/627=8...(13) QG2 VAL 83 + QD2 LEU 14 OK 30 73 - 41 - 10402/2.1=12, 9806=7...(11) HG LEU 55 - QD2 LEU 14 poor 8 77 - 10 - 10402/2.1=3, 10399/2.1=1 Peak 10404 from cnoeabs.peaks (1.71, 0.68, 25.64 ppm; 3.46 A): 6 out of 16 assignments used, quality = 0.93: HG2 PRO 86 + QD1 LEU 14 OK 54 77 - 70 - 2.3/12017=13...(20) HB3 LEU 70 + QD1 LEU 14 OK 39 96 - 41 - 9544=15, 3.0/9545=5...(14) HG LEU 70 + QD1 LEU 14 OK 33 94 - 35 - 3.0/9544=10, 9545=7...(10) HB2 LEU 2 + QD1 LEU 14 OK 32 98 - 32 - 12275/2.1=4, 55/2.1=3...(10) HD3 LYS 13 + QD1 LEU 14 OK 27 99 - 27 - 3.0/12014=5, 3.6/8387=3...(8) HD2 LYS 13 + QD1 LEU 14 OK 26 97 - 27 - 3.0/12014=5, 3.6/8387=3...(8) HG12 ILE 15 - QD1 LEU 14 OK 24 81 - 30 - 4.1/12021=10, 4.6/6214=7...(8) HD3 LYS 24 - QD1 LEU 14 OK 11 90 - 13 - 4.9/8411=3, 6.3/8602=1 HD2 LYS 24 - QD1 LEU 14 OK 11 87 - 13 - 4.9/8411=3, 6.3/8602=1 HD3 LYS 12 - QD1 LEU 14 OK 10 97 - 11 - 6194/4.8=1, 6219/4.9=1 HD2 LYS 12 - QD1 LEU 14 OK 10 97 - 11 - 6194/4.8=1, 6219/4.9=1 HD3 LYS 90 - QD1 LEU 14 poor 9 90 - 10 - 5.2/619=2, ~8430=1 HD3 LYS 66 - QD1 LEU 14 lone 7 98 - 7 - 5.1/9027=2, 2942/9881=1 HD3 LYS 33 - QD1 LEU 14 lone 7 70 - 9 - ~8430=1 HD2 LYS 33 - QD1 LEU 14 lone 7 70 - 9 - ~8430=1 HD2 ARG 81 - QD1 LEU 14 lone 2 65 - 2 - Peak 10405 from cnoeabs.peaks (2.12, 0.68, 25.64 ppm; 3.51 A): 3 out of 13 assignments used, quality = 0.97: HB2 PRO 86 + QD1 LEU 14 OK 80 99 - 81 - 2.3/8411=20...(25) HB3 PRO 86 + QD1 LEU 14 OK 72 90 - 80 - 2.3/8411=20...(27) HB VAL 83 + QD1 LEU 14 OK 54 100 - 55 - 2.1/10402=14, 9805=7...(14) HB2 LEU 64 - QD1 LEU 14 OK 36 100 - 36 - 9474=8, 1.8/9477=8...(10) HB2 GLU 75 - QD1 LEU 14 poor 8 57 - 13 - 4.1/618=5, 4.0/625=2...(4) HB3 GLU 69 - QD1 LEU 14 lone 7 90 - 8 - HB2 GLU 69 - QD1 LEU 14 lone 7 90 - 8 - QE MET 21 - QD1 LEU 14 lone 6 70 - 8 - HG3 GLU 37 - QD1 LEU 14 lone 5 98 - 5 - 8849/8942=2 HB3 GLU 37 - QD1 LEU 14 lone 4 92 - 5 - 8839/8942=1 HG2 GLU 69 - QD1 LEU 14 lone 3 90 - 4 - HG2 GLU 44 - QD1 LEU 14 lone 2 61 - 3 - 4.0/10409=1 HG3 GLU 104 - QD1 LEU 14 lone 2 65 - 2 - Peak 10406 from cnoeabs.peaks (1.68, 0.71, 24.35 ppm; 3.80 A): 5 out of 23 assignments used, quality = 0.93: HG2 PRO 86 + QD2 LEU 14 OK 71 96 - 74 - 2.3/10407=13...(20) HG12 ILE 15 + QD2 LEU 14 OK 38 94 - 41 - 4.1/8413=21, 4.6/6215=8...(9) HG LEU 70 + QD2 LEU 14 OK 32 81 - 39 - ~9544=6, 9545/2.1=5...(17) HD2 LYS 13 + QD2 LEU 14 OK 25 73 - 34 - 3.0/12015=8, 5.5/8386=4...(10) HB2 LEU 2 + QD2 LEU 14 OK 23 70 - 33 - 3.0/628=3, 1.8/630=2...(18) HD3 LYS 13 - QD2 LEU 14 OK 22 65 - 33 - 3.0/12015=8, 5.5/8386=4...(10) HB3 LYS 40 - QD2 LEU 14 OK 12 100 - 12 - 4.3/8870=2, 1800/2.1=1 HD2 LYS 24 - QD2 LEU 14 OK 12 90 - 13 - 4.9/8412=4, 3.0/628=1 HD3 LYS 24 - QD2 LEU 14 OK 12 87 - 13 - 4.9/8412=4, 3.0/628=1 HD3 LYS 90 - QD2 LEU 14 OK 11 87 - 13 - 5.2/627=2, 662/8413=2...(5) HB ILE 52 - QD2 LEU 14 OK 10 81 - 12 - HD3 LYS 12 - QD2 LEU 14 poor 9 73 - 12 - 6219/4.9=2, 6193/4.8=1 HD2 LYS 12 - QD2 LEU 14 poor 9 73 - 12 - 6219/4.9=2, 6193/4.8=1 HD3 LYS 66 - QD2 LEU 14 poor 7 70 - 11 - 6.1/10412=3, 5.1/9512=2 HD3 LYS 47 - QD2 LEU 14 lone 7 100 - 7 - 3.0/8414=1, 3.0/8414=1 HG3 LYS 20 - QD2 LEU 14 lone 6 92 - 7 - 4.9/10412=2 HD2 LYS 47 - QD2 LEU 14 lone 6 99 - 6 - 3.0/8414=1, 3.0/8414=1 HD2 LYS 20 - QD2 LEU 14 lone 5 97 - 5 - 5.9/10412=1 HD3 LYS 20 - QD2 LEU 14 lone 4 92 - 5 - 5.9/10412=1 HB3 ARG 91 - QD2 LEU 14 lone 4 100 - 4 - HB3 LYS 53 - QD2 LEU 14 lone 4 100 - 4 - HD2 LYS 73 - QD2 LEU 14 lone 1 70 - 2 - HD3 LYS 73 - QD2 LEU 14 lone 1 61 - 2 - Peak 10407 from cnoeabs.peaks (2.10, 0.71, 24.35 ppm; 4.21 A): 3 out of 10 assignments used, quality = 0.94: HB3 PRO 86 + QD2 LEU 14 OK 88 96 - 92 - 2.3/8412=19, ~8411=16...(31) HB VAL 83 + QD2 LEU 14 OK 36 73 - 49 - 2.1/10403=15, ~10402=11...(9) HB2 LEU 64 + QD2 LEU 14 OK 26 73 - 36 - ~9477=7, 9474/2.1=6...(10) QE MET 21 - QD2 LEU 14 OK 15 100 - 15 - 10445/2.1=4, 8538/4.8=2...(4) HB3 GLU 88 - QD2 LEU 14 poor 9 61 - 15 - 4.3/8433=7, 3.9/626=3 HB3 GLU 62 - QD2 LEU 14 lone 9 96 - 9 - 4.6/9457=3, 4.0/10740=3 HG3 GLU 37 - QD2 LEU 14 lone 5 84 - 6 - 1614/8851=1 HB2 GLU 23 - QD2 LEU 14 lone 5 92 - 5 - HG3 GLU 104 - QD2 LEU 14 lone 4 100 - 4 - HB3 GLU 35 - QD2 LEU 14 lone 3 73 - 4 - Peak 10408 from cnoeabs.peaks (3.91, 0.71, 24.35 ppm; 3.78 A): 5 out of 7 assignments used, quality = 0.90: HB3 SER 9 + QD2 LEU 14 OK 48 77 - 63 - ~8403=14, 1.8/8414=14...(14) HB2 SER 85 + QD2 LEU 14 OK 45 96 - 47 - ~9876=8, 3.0/8427=7...(11) HA ALA 89 + QD2 LEU 14 OK 44 92 - 48 - ~8402=9, 9930/2.1=7...(14) HA GLU 63 + QD2 LEU 14 OK 28 100 - 28 - 9460=5, 10409/2.1=4...(9) HA TYR 41 + QD2 LEU 14 OK 15 73 - 20 - 10409/2.1=4, 3.0/8870=3...(7) HA3 GLY 101 - QD2 LEU 14 lone 2 65 - 2 - HB2 SER 102 - QD2 LEU 14 lone 1 70 - 2 - Peak 10409 from cnoeabs.peaks (3.92, 0.68, 25.64 ppm; 4.03 A): 3 out of 4 assignments used, quality = 0.83: HB3 SER 9 + QD1 LEU 14 OK 69 100 - 69 - 2.8/8403=25, 8330/2.1=12...(14) HA GLU 63 + QD1 LEU 14 OK 28 90 - 31 - 3.6/9467=6, 9460/2.1=5...(10) HA TYR 41 + QD1 LEU 14 OK 27 100 - 26 - 8872=3, 3.6/6676=3...(10) HA GLU 44 - QD1 LEU 14 lone 7 87 - 8 - ~8975=2, ~8973=1 Peak 10410 from cnoeabs.peaks (8.65, 1.35, 28.11 ppm; 5.97 A): 2 out of 4 assignments used, quality = 0.96: H ALA 18 + HG LEU 14 OK 91 100 - 91 - ~12013=31, ~12032=28...(15) H ASP 11 + HG LEU 14 OK 52 65 - 80 - ~8425=17, 4.0/8410=16...(13) H ASN 10 - HG LEU 14 OK 21 81 - 26 - 4.6/8410=13, 4.6/6105=4...(6) H LEU 55 - HG LEU 14 OK 13 61 - 21 - 4.7/9318=6, 4.7/10399=4...(5) Peak 10412 from cnoeabs.peaks (7.80, 0.71, 24.35 ppm; 4.82 A): 4 out of 6 assignments used, quality = 0.79: H SER 9 + QD2 LEU 14 OK 50 84 - 59 - 4.0/8414=13, 4.0/8330=10...(14) H LYS 66 + QD2 LEU 14 OK 39 99 - 40 - 4.6/9489=6, 3.0/9512=5...(12) H LYS 20 + QD2 LEU 14 OK 18 98 - 19 - 8526/12013=8, 4.1/629=2 HE ARG 30 + QD2 LEU 14 OK 17 94 - 18 - ~8723=5, ~8722=3...(7) H GLU 28 - QD2 LEU 14 lone 10 100 - 9 - 8495/12013=2, 6450/2.1=1 H GLU 99 - QD2 LEU 14 lone 7 99 - 7 - 4.7/8415=2, 8495/12013=1 Peak 10413 from cnoeabs.peaks (7.70, 0.68, 25.64 ppm; 4.14 A): 4 out of 5 assignments used, quality = 0.81: H SER 85 + QD1 LEU 14 OK 66 94 - 71 - 3.0/8424=13, 9864=12...(19) H LEU 64 + QD1 LEU 14 OK 22 57 - 38 - 3.0/9475=9, 3.9/9477=6...(10) H ALA 25 + QD1 LEU 14 OK 19 84 - 23 - 3.6/8411=7, 4.6/8602=3...(7) H MET 21 + QD1 LEU 14 OK 13 84 - 15 - 8496/12032=3, 10303/8402=1 HD22 ASN 51 - QD1 LEU 14 lone 7 87 - 7 - Peak 10414 from cnoeabs.peaks (8.27, 0.69, 25.64 ppm; 4.64 A): 3 out of 4 assignments used, quality = 0.85: H ALA 71 + QD1 LEU 42 OK 51 98 - 52 - 4.6/1935=11, 4.1/9544=10...(10) H PHE 45 + QD1 LEU 42 OK 47 98 - 49 - 6719/4.0=13, 3.0/8997=9...(14) H LYS 94 + QD1 LEU 42 OK 42 100 - 42 - 7507/3.1=6, 7511/2.1=6...(15) H GLU 23 - QD1 LEU 42 lone 7 92 - 8 - 4.6/8602=1 Peak 10415 from cnoeabs.peaks (8.89, 0.81, 17.32 ppm; 4.45 A): 2 out of 2 assignments used, quality = 0.76: H ARG 19 + QG2 ILE 15 OK 66 99 - 66 - 6277/3.2=29...(15) H ASP 77 + QG2 ILE 15 OK 29 98 - 30 - 8434/3.2=7, 7267=5...(8) Peak 10417 from cnoeabs.peaks (3.94, 0.76, 13.00 ppm; 5.00 A): 2 out of 4 assignments used, quality = 0.63: HB3 SER 9 + QD1 ILE 15 OK 58 87 - 67 - 2.8/8442=28, 1.8/8445=17...(12) HA TYR 41 + QD1 ILE 15 OK 12 90 - 14 - 4.8/8446=3, 3.6/6677=2, ~6647=1 HA GLU 44 - QD1 ILE 15 lone 9 100 - 9 - 6740/684=2, 3.0/8974=2 HB2 SER 97 - QD1 ILE 15 lone 5 87 - 5 - Peak 10419 from cnoeabs.peaks (1.42, 3.26, 65.94 ppm; 5.48 A): 3 out of 6 assignments used, quality = 0.96: HG12 ILE 7 + HA ILE 15 OK 81 99 - 81 - 2.1/8261=47...(16) HG2 LYS 13 + HA ILE 15 OK 61 92 - 66 - 517/3.0=11, 10394/3.2=8...(27) HG LEU 29 + HA ILE 15 OK 52 77 - 68 - 2.1/8689=37, 2.1/8459=19...(10) QB ALA 71 - HA ILE 15 OK 31 92 - 34 - ~10121=5, 12176/3.2=5...(12) HG13 ILE 76 - HA ILE 15 OK 29 73 - 39 - 4.5/8441=9, 277/8261=4...(15) QB ALA 22 - HA ILE 15 OK 15 77 - 19 - 8580/8689=3, 8580/8459=3...(7) Peak 10420 from cnoeabs.peaks (0.81, 2.08, 29.20 ppm; 3.90 A): 7 out of 20 assignments used, quality = 0.88: QG2 ILE 15 + HB2 GLU 16 OK 38 100 - 38 - 4.4/696=14, 10122/3.0=14...(6) QD2 LEU 70 + HB3 GLU 35 OK 28 82 - 35 - 10278=8, ~9549=3...(16) QD2 LEU 38 + HB3 GLU 35 OK 28 66 - 43 - 2.1/1661=5, 1653=4...(21) QD1 LEU 70 + HB3 GLU 35 OK 27 80 - 34 - 2.1/10278=6, 9549/1.8=5...(15) QD2 LEU 2 + HB3 GLU 35 OK 26 82 - 31 - 8057/1.8=7, ~8053=4...(10) QD1 ILE 76 + HB2 GLU 16 OK 19 92 - 21 - 9630/4.0=4, ~9640=3...(8) QD2 LEU 38 + HB2 GLU 16 OK 16 87 - 19 - 2.1/1661=2, 1653=2...(8) QD1 ILE 76 - HB3 GLU 35 poor 7 71 - 10 - 10538/4.7=1 QD1 LEU 70 - HB2 GLU 16 lone 7 99 - 7 - 6232/4.0=2 QD2 LEU 2 - HB2 GLU 16 lone 6 100 - 6 - 6232/4.0=1, ~8055=1 QD2 LEU 70 - HB2 GLU 16 lone 6 100 - 6 - 6232/4.0=2, 10278=1 QD1 LEU 57 - HB3 GLU 35 poor 6 51 - 11 - 10698/3.0=2, ~10697=2 QD2 LEU 57 - HB3 GLU 35 lone 6 57 - 10 - ~10698=3, 10697/3.0=2, ~10167=1 QG2 ILE 15 - HB3 GLU 35 lone 6 83 - 7 - 4.4/696=2 QG2 ILE 7 - HB2 GLU 16 lone 4 87 - 5 - 6232/4.0=2, 8530/3.0=1 QD2 LEU 103 - HB3 GLU 35 lone 3 54 - 5 - 10538/4.7=1 QD2 LEU 57 - HB2 GLU 16 lone 2 77 - 2 - QG2 ILE 7 - HB3 GLU 35 lone 2 66 - 3 - QD1 LEU 57 - HB2 GLU 16 lone 2 70 - 2 - QD2 LEU 103 - HB2 GLU 16 lone 1 73 - 2 - Peak 10421 from cnoeabs.peaks (0.79, 2.17, 29.20 ppm; 4.84 A): 5 out of 27 assignments used, quality = 0.65: QD1 ILE 76 + HB3 GLU 16 OK 24 77 - 32 - ~9640=6, ~9638=5...(10) QG2 ILE 52 + HB3 GLN 50 OK 20 45 - 45 - ~9103=11, 9107/4.6=10...(9) QG2 ILE 52 + HB3 GLU 95 OK 20 49 - 40 - 10041/2.9=14, ~10040=14...(8) QG2 ILE 52 + HB3 GLU 16 OK 17 97 - 18 - 10425/3.0=2, 9164/3.0=2...(5) QG2 ILE 8 + HB3 GLU 16 OK 13 100 - 13 - 8310/3.0=3, ~12202=1...(4) QD1 ILE 93 - HB3 GLN 50 poor 9 29 - 29 - 9100/2.9=4, 9107/4.6=3...(13) QG2 ILE 8 - HB3 GLN 50 poor 8 49 - 16 - ~9103=3, 9107/4.6=3...(6) QG2 ILE 8 - HB3 GLU 95 poor 8 54 - 14 - 10041/2.9=5, ~10042=3...(5) QD1 ILE 93 - HB3 GLU 95 poor 8 33 - 23 - 4162/4.0=6, 10041/2.9=5...(6) QD1 LEU 6 - HB3 GLU 16 lone 6 77 - 8 - ~8230=2, 10425/3.0=1, ~10424=1 QD2 LEU 57 - HB3 GLN 50 poor 6 40 - 14 - 2640/4.0=5, 2640/4.6=4, ~9098=2 QG2 ILE 7 - HB3 GLU 16 lone 5 84 - 6 - 8530/3.0=2, 9028/4.0=1 QD2 LEU 57 - HB3 GLU 16 lone 5 92 - 5 - QD1 ILE 76 - HB3 GLN 50 poor 3 31 - 11 - 9104/4.0=3, ~10629=2, 9092/4.5=2 QD1 LEU 27 - HB3 GLU 95 poor 3 31 - 10 - 10043/4.6=4, 10041/2.9=2 QD1 ILE 93 - HB3 GLU 16 lone 3 73 - 4 - QD2 LEU 42 - HB3 GLU 16 lone 3 61 - 4 - QG2 ILE 7 - HB3 GLN 50 lone 2 35 - 6 - 9104/4.0=2, 9092/4.5=1 QD1 LEU 27 - HB3 GLU 16 lone 2 70 - 3 - QD2 LEU 42 - HB3 GLN 50 lone 2 24 - 8 - ~9103=4, 9107/4.6=2 QD2 LEU 57 - HB3 GLU 95 lone 2 45 - 4 - 9343/14641=1, 10041/2.9=1 QD1 ILE 76 - HB3 GLU 95 lone 2 35 - 5 - ~9640=1, 10880/2.9=1 QD2 LEU 42 - HB3 GLU 95 lone 2 26 - 6 - 10041/2.9=3, ~11013=1 QD1 LEU 6 - HB3 GLN 50 lone 2 31 - 5 - ~9103=2, 9107/4.6=1 QD1 LEU 27 - HB3 GLN 50 lone 2 28 - 6 - 9107/4.6=1, 9100/2.9=1 QD1 LEU 6 - HB3 GLU 95 lone 1 35 - 4 - 10041/2.9=2 QG2 ILE 7 - HB3 GLU 95 lone 1 39 - 2 - Peak 10423 from cnoeabs.peaks (0.64, 4.04, 59.03 ppm; 5.29 A): 8 out of 9 assignments used, quality = 0.83: QD2 LEU 29 + HA LYS 20 OK 30 60 - 49 - ~8528=11, 10442/3.6=10...(14) QD1 LEU 29 + HA LYS 20 OK 25 50 - 50 - 8528/2.9=14...(14) QG2 VAL 54 + HA LYS 20 OK 23 48 - 48 - 8528/2.9=10, 10442/3.6=8...(17) QD2 LEU 29 + HA GLU 16 OK 19 100 - 19 - 8693/692=3, 8692/6344=2...(10) QD1 LEU 29 + HA GLU 16 OK 18 92 - 20 - 8691/692=3, 8689/8453=2...(9) QD1 LEU 29 + HA GLU 17 OK 15 29 - 51 - 8672/5.0=29...(9) QG2 VAL 54 + HA GLU 16 OK 15 90 - 16 - 9239/4.1=2, ~6235=1...(5) QD2 LEU 29 + HA GLU 17 OK 11 36 - 30 - 8483/5.0=13, 8693/6278=4...(9) QG2 VAL 54 - HA GLU 17 poor 5 28 - 20 - 2498/3.6=4, 8483/5.0=3...(6) Peak 10424 from cnoeabs.peaks (0.69, 2.30, 36.00 ppm; 4.14 A): 10 out of 16 assignments used, quality = 0.92: QG2 VAL 58 + HG2 GLU 63 OK 47 61 - 77 - ~10233=18, ~10236=14...(16) QD1 ILE 52 + HG2 GLU 63 OK 31 98 - 31 - 9176=5, 9462/3.0=4...(9) QD2 LEU 6 + HG2 GLU 63 OK 28 94 - 30 - 8230=9, 2.1/10425=5...(7) QD1 ILE 52 + HG3 GLU 16 OK 20 100 - 20 - 9176=3, 3.1/10425=3...(8) QD1 LEU 42 + HG2 GLU 63 OK 16 96 - 17 - 9461/3.0=3, 9462/3.0=3...(5) QD1 ILE 8 + HG2 GLU 63 OK 16 69 - 23 - 3.0/8310=4, 9460/3.8=3...(9) QD1 LEU 14 + HG2 GLU 63 OK 15 69 - 22 - 9461/3.0=5, 9462/3.0=4...(7) QD1 ILE 56 + HG2 GLU 63 OK 15 76 - 20 - 9460/3.8=3, 9462/3.0=3...(9) QD2 LEU 14 + HG2 GLU 63 OK 15 73 - 20 - 9460/3.8=4, ~9461=3...(6) QD2 LEU 6 + HG3 GLU 16 OK 12 97 - 12 - 8230=4, 2.1/10425=2 QG2 VAL 58 - HG3 GLU 16 poor 9 65 - 13 - 2.1/9463=2, 2.1/10718=2...(5) QD1 ILE 8 - HG3 GLU 16 lone 7 73 - 9 - 3.0/8310=2, 2.1/10426=1 QD1 LEU 42 - HG3 GLU 16 lone 7 99 - 7 - 2.1/10425=1 QD1 LEU 14 - HG3 GLU 16 lone 5 73 - 7 - 4.9/724=2 QD2 LEU 14 - HG3 GLU 16 lone 5 77 - 7 - 4.9/724=2 QD1 ILE 56 - HG3 GLU 16 lone 3 81 - 4 - Peak 10425 from cnoeabs.peaks (0.77, 2.30, 36.00 ppm; 4.02 A): 6 out of 18 assignments used, quality = 0.62: QD1 LEU 6 + HG2 GLU 63 OK 21 98 - 22 - 2.1/8230=7, 8228=4...(6) QG2 ILE 52 + HG2 GLU 63 OK 19 94 - 20 - 10744/3.0=4, 3.1/10424=3...(7) QG2 ILE 52 + HG3 GLU 16 OK 14 97 - 14 - 3.1/10424=2, 10421/3.0=1 QG2 ILE 8 + HG2 GLU 63 OK 13 73 - 18 - 10744/3.0=5, 8310=3...(6) QD1 ILE 15 + HG3 GLU 16 OK 13 87 - 15 - 684/5.1=6, 5.0/724=2...(4) QD2 LEU 42 + HG2 GLU 63 OK 10 96 - 10 - 2.1/10424=2, ~9461=2...(4) QG1 VAL 54 - HG2 GLU 63 poor 10 88 - 11 - 2.1/9239=3, 3.2/10204=2...(4) QD1 LEU 6 - HG3 GLU 16 lone 9 100 - 9 - 2.1/8230=3, 8228=2 HG13 ILE 15 - HG3 GLU 16 poor 8 70 - 12 - 6235/5.1=4, 4.6/724=2...(4) QG1 VAL 54 - HG3 GLU 16 lone 7 92 - 8 - 2.1/9239=2, 3.2/10204=1 QG2 ILE 8 - HG3 GLU 16 lone 7 77 - 9 - 8310=2, 10421/3.0=1, 3.1/10426=1 QD2 LEU 42 - HG3 GLU 16 lone 4 99 - 4 - QD1 ILE 93 - HG2 GLU 63 lone 4 98 - 4 - QD1 LEU 27 - HG2 GLU 63 lone 4 97 - 4 - QD1 ILE 93 - HG3 GLU 16 lone 3 100 - 3 - QD1 ILE 15 - HG2 GLU 63 lone 3 83 - 4 - QD1 LEU 27 - HG3 GLU 16 lone 2 100 - 2 - HG13 ILE 15 - HG2 GLU 63 lone 2 65 - 3 - Peak 10426 from cnoeabs.peaks (0.87, 2.30, 36.00 ppm; 5.52 A): 9 out of 12 assignments used, quality = 0.85: QG2 ILE 76 + HG3 GLU 16 OK 28 92 - 31 - 9638/4.1=8, 10614/5.1=3...(9) QD2 LEU 64 + HG2 GLU 63 OK 26 85 - 30 - 4.5/7033=14, ~10255=5...(5) QG2 ILE 76 + HG2 GLU 63 OK 25 88 - 29 - ~10880=5, ~10746=5...(6) HG13 ILE 8 + HG2 GLU 63 OK 22 76 - 29 - ~10744=6, 3.1/8310=6...(7) QD1 LEU 38 + HG3 GLU 16 OK 20 84 - 24 - 10549=3, 2.1/10642=3...(12) QD1 LEU 2 + HG2 GLU 63 OK 15 90 - 17 - ~10746=4, 8054/3.0=3...(5) QD1 LEU 2 + HG3 GLU 16 OK 13 94 - 13 - 8055/1.8=3 HG13 ILE 8 + HG3 GLU 16 OK 11 81 - 14 - 3.1/8310=3, ~10421=2...(4) QD2 LEU 64 + HG3 GLU 16 OK 10 90 - 12 - 4.5/7033=6 QD1 LEU 38 - HG2 GLU 63 poor 8 80 - 11 - ~10746=1, 7039/7033=1...(4) QD1 LEU 103 - HG2 GLU 63 lone 5 90 - 6 - 7039/7033=2 QD1 LEU 103 - HG3 GLU 16 lone 4 94 - 4 - Peak 10428 from cnoeabs.peaks (0.80, 2.01, 29.01 ppm; 4.45 A): 13 out of 36 assignments used, quality = 0.93: QD2 LEU 2 + HB3 GLU 17 OK 32 84 - 39 - ~12026=7, 2.1/8053=5...(11) QD1 ILE 76 + HB3 GLU 17 OK 24 99 - 25 - ~9638=3, ~9640=3...(10) QD2 LEU 70 + HB2 GLU 35 OK 22 49 - 45 - 10278/1.8=9, 2.1/9549=6...(21) QG2 ILE 8 + HB3 GLU 17 OK 21 94 - 23 - 12205/1.8=4, 3.0/10429=3...(8) QG2 ILE 15 + HB3 GLU 17 OK 20 81 - 25 - 653/4.0=4, ~8454=4...(9) QD2 LEU 70 + HB3 GLU 44 OK 19 38 - 51 - 8981/3.0=15, 3.1/10276=6...(15) QD2 LEU 70 + HB2 GLU 44 OK 19 38 - 51 - 8981/3.0=15, 3.1/10276=6...(15) QD2 LEU 2 + HB2 GLU 35 OK 18 47 - 39 - 2.1/8053=7, 10527/1.8=5...(13) QG2 ILE 7 + HB3 GLU 17 OK 18 100 - 18 - 8244/4.6=10, 8530/2.9=2 QD1 LEU 70 + HB2 GLU 35 OK 12 30 - 41 - ~10278=8, ~10527=5...(19) QD2 LEU 57 + HB2 GLU 35 OK 12 64 - 18 - ~10698=4, 10697/3.0=4...(6) QD2 LEU 70 + HB3 GLU 17 OK 10 87 - 12 - 2.1/9549=1, 10430/3.0=1 QG2 ILE 52 + HB3 GLU 17 OK 10 70 - 14 - 4.3/9185=2, 3.1/10429=2...(7) QD1 LEU 70 - HB2 GLU 44 poor 10 22 - 44 - ~8981=10, 3.1/10276=6...(15) QD1 LEU 70 - HB3 GLU 44 poor 10 22 - 44 - ~8981=10, 3.1/10276=6...(15) QD1 ILE 76 - HB2 GLU 35 poor 9 61 - 15 - 10527/1.8=2, ~9663=1 QD1 ILE 76 - HB2 GLU 44 poor 8 48 - 16 - 10887/4.7=6, 8981/3.0=4 QD1 ILE 76 - HB3 GLU 44 poor 8 48 - 16 - 10887/4.7=6, 8981/3.0=4 QD1 LEU 70 - HB3 GLU 17 lone 6 57 - 10 - 3.1/10276=1, 10430/3.0=1 QG2 ILE 8 - HB2 GLU 35 poor 6 55 - 10 - 10527/1.8=1, 8309/2.9=1...(4) QG2 ILE 7 - HB3 GLU 44 lone 5 49 - 10 - 8981/3.0=2, 8265/3.0=2 QG2 ILE 7 - HB2 GLU 44 lone 5 49 - 10 - 8981/3.0=2, 8265/3.0=2 QD2 LEU 57 - HB3 GLU 17 lone 4 100 - 4 - QG2 ILE 8 - HB3 GLU 44 lone 3 43 - 8 - 8981/3.0=3 QG2 ILE 8 - HB2 GLU 44 lone 3 43 - 8 - 8981/3.0=3 QG2 ILE 52 - HB2 GLU 35 lone 3 37 - 9 - 4.3/9185=2 QG2 ILE 52 - HB2 GLU 44 poor 3 28 - 12 - 8981/3.0=3, 8974/3.9=1...(4) QG2 ILE 52 - HB3 GLU 44 poor 3 28 - 12 - 8981/3.0=3, 8974/3.9=1...(4) QD2 LEU 2 - HB2 GLU 44 lone 3 36 - 9 - 8981/3.0=2 QD2 LEU 2 - HB3 GLU 44 lone 3 36 - 9 - 8981/3.0=2 QG2 ILE 7 - HB2 GLU 35 lone 3 63 - 5 - QG2 ILE 15 - HB2 GLU 35 lone 3 44 - 6 - 10527/1.8=1 QG2 ILE 15 - HB3 GLU 44 lone 3 34 - 7 - 8981/3.0=2, ~10417=2 QG2 ILE 15 - HB2 GLU 44 lone 3 34 - 7 - 8981/3.0=2, ~10417=2 QD2 LEU 57 - HB3 GLU 44 lone 2 50 - 4 - 8981/3.0=1 QD2 LEU 57 - HB2 GLU 44 lone 2 50 - 4 - 8981/3.0=1 Peak 10429 from cnoeabs.peaks (0.70, 2.01, 29.01 ppm; 4.57 A): 7 out of 36 assignments used, quality = 0.81: QD2 LEU 14 + HB3 GLU 17 OK 42 98 - 43 - 4.0/593=17, 8415/3.0=6...(9) QD1 ILE 8 + HB3 GLU 17 OK 24 97 - 25 - 12200/1.8=3, ~12204=3...(11) QD1 LEU 42 + HB3 GLU 17 OK 24 81 - 29 - ~12026=7, 2.1/10340=5...(8) QD1 ILE 52 + HB3 GLU 17 OK 14 96 - 14 - 9175/3.0=3, 9171/2.9=2 QD1 LEU 42 + HB2 GLU 35 OK 13 44 - 30 - 2.1/10340=5, 3.1/8916=5...(10) QD1 LEU 42 + HB3 GLU 44 OK 12 34 - 36 - 2.1/10340=5, 10414/4.7=5...(10) QD1 LEU 42 + HB2 GLU 44 OK 12 34 - 36 - 2.1/10340=5, 10414/4.7=5...(10) QD1 ILE 52 - HB3 GLU 44 poor 10 44 - 22 - 9152/4.7=9, 9149/3.9=5...(4) QD1 ILE 52 - HB2 GLU 44 poor 10 44 - 22 - 9152/4.7=9, 9149/3.9=5...(4) QD1 ILE 8 - HB2 GLU 35 poor 7 59 - 12 - 12202/1.8=2, 8308/2.9=2...(4) QD1 ILE 56 - HB3 GLU 17 lone 6 99 - 6 - 589/593=2 QD1 ILE 56 - HB2 GLU 35 lone 6 61 - 9 - 2593/4.0=2, 12202/1.8=1...(4) QD1 ILE 52 - HB2 GLU 35 lone 5 57 - 10 - QD2 LEU 14 - HB2 GLU 44 poor 5 47 - 11 - 8975/3.9=3, 4.0/593=1, ~10409=1 QD2 LEU 14 - HB3 GLU 44 poor 5 47 - 11 - 8975/3.9=3, 4.0/593=1, ~10409=1 QD2 LEU 14 - HB2 GLU 35 lone 5 60 - 8 - 4.0/593=1 QD1 ILE 8 - HB2 GLU 44 lone 4 46 - 10 - 8975/3.9=3, ~8981=1, ~10185=1 QD1 ILE 8 - HB3 GLU 44 lone 4 46 - 10 - 8975/3.9=3, ~8981=1, ~10185=1 HG13 ILE 56 - HB3 GLU 17 lone 4 87 - 5 - 589/593=2 QG1 VAL 58 - HB2 GLU 35 poor 4 35 - 13 - 9382/1.8=3, ~10700=2...(6) HG13 ILE 56 - HB2 GLU 35 lone 3 49 - 7 - 2585/4.0=2, ~12202=1 QD2 LEU 6 - HB3 GLU 17 lone 3 73 - 4 - QG1 VAL 58 - HB3 GLU 17 lone 3 65 - 4 - 589/593=1 QG1 VAL 58 - HB3 GLU 44 lone 2 26 - 8 - ~10227=3, 8975/3.9=2 QG1 VAL 58 - HB2 GLU 44 lone 2 26 - 8 - ~10227=3, 8975/3.9=2 QD1 ILE 56 - HB2 GLU 44 lone 2 48 - 4 - 8975/3.9=2 QD1 ILE 56 - HB3 GLU 44 lone 2 48 - 4 - 8975/3.9=2 QD2 LEU 6 - HB2 GLU 35 lone 2 40 - 4 - QD2 LEU 6 - HB2 GLU 44 lone 1 30 - 4 - QD2 LEU 6 - HB3 GLU 44 lone 1 30 - 4 - HG13 ILE 56 - HB3 GLU 44 lone 1 38 - 3 - 8975/3.9=1 HG13 ILE 56 - HB2 GLU 44 lone 1 38 - 3 - 8975/3.9=1 QG2 VAL 78 - HB3 GLU 17 lone 1 61 - 2 - QG2 VAL 78 - HB3 GLU 44 lone 1 24 - 3 - QG2 VAL 78 - HB2 GLU 44 lone 1 24 - 3 - QG2 VAL 78 - HB2 GLU 35 lone 1 32 - 2 - Peak 10430 from cnoeabs.peaks (0.80, 2.43, 36.00 ppm; 4.59 A): 9 out of 24 assignments used, quality = 0.85: QD2 LEU 2 + HG3 GLU 17 OK 33 94 - 36 - 2.1/10432=9, ~12026=6...(8) QD1 ILE 76 + HG3 GLU 48 OK 25 84 - 30 - ~9038=6, 3450/4.1=5...(6) QD2 LEU 2 + HG3 GLU 48 OK 21 74 - 29 - 2.1/8056=8, ~8055=8...(7) QG2 ILE 15 + HG3 GLU 17 OK 18 92 - 20 - 653/5.1=5, 4.0/758=4...(7) QD1 ILE 76 + HG3 GLU 17 OK 17 100 - 17 - 3.2/10432=4, 10428/3.0=2...(5) QG2 ILE 8 + HG3 GLU 17 OK 16 84 - 20 - 12205/3.0=3, 3.1/10432=2...(8) QG2 ILE 8 + HG3 GLU 48 OK 12 64 - 19 - 8310/3.0=4, 9035/4.9=3...(6) QG2 ILE 7 + HG3 GLU 17 OK 12 100 - 12 - 8244/6271=2, 10428/3.0=2...(4) QD2 LEU 70 + HG3 GLU 17 OK 10 96 - 10 - ~10436=1, 3.1/10184=1 QG2 ILE 7 - HG3 GLU 48 lone 8 84 - 10 - 9035/4.9=2, ~9038=1 QD1 LEU 70 - HG3 GLU 17 lone 7 73 - 10 - ~10436=1, 3.1/10184=1 QD2 LEU 57 - HG3 GLU 17 lone 5 99 - 5 - QD2 LEU 57 - HG3 GLU 48 lone 5 82 - 6 - 9035/4.9=1 QG2 ILE 15 - HG3 GLU 48 lone 5 72 - 6 - 4.0/758=1 QD2 LEU 70 - HG3 GLU 48 lone 3 76 - 4 - QD2 LEU 2 - HG3 GLU 99 lone 3 57 - 5 - 2.1/8056=1 QD1 ILE 76 - HG3 GLU 99 lone 2 65 - 4 - QG2 ILE 7 - HG3 GLU 99 lone 2 65 - 3 - QD1 LEU 70 - HG3 GLU 48 lone 2 55 - 3 - QG2 ILE 8 - HG3 GLU 99 lone 2 48 - 3 - QD2 LEU 57 - HG3 GLU 99 lone 2 64 - 2 - QG2 ILE 15 - HG3 GLU 99 lone 1 55 - 2 - QD2 LEU 70 - HG3 GLU 99 lone 1 58 - 2 - QD1 LEU 70 - HG3 GLU 99 lone 1 41 - 2 - Peak 10431 from cnoeabs.peaks (0.69, 2.43, 36.00 ppm; 4.23 A): 9 out of 18 assignments used, quality = 0.91: QD1 ILE 52 + HG3 GLU 48 OK 53 80 - 67 - 9175=19, 9177/3.0=11...(17) QD1 LEU 14 + HG3 GLU 17 OK 34 90 - 38 - 3.1/8406=7, 4.0/8478=7...(10) QD2 LEU 6 + HG3 GLU 48 OK 24 84 - 29 - 8230/3.0=9, 9041/3.0=4...(9) QD1 LEU 42 + HG3 GLU 17 OK 20 100 - 20 - ~12026=4, 10342/3.0=4...(7) QD1 LEU 14 + HG3 GLU 48 OK 19 70 - 27 - 8417=4, 2.1/8415=4...(10) QD1 ILE 52 + HG3 GLU 17 OK 14 98 - 14 - 9175=4, 9171/3.9=2 QD1 LEU 42 + HG3 GLU 48 OK 12 84 - 14 - 9040/3.0=3, 9041/3.0=2...(5) QD1 ILE 52 + HG3 GLU 99 OK 11 61 - 19 - 9175=5, 9177/3.0=3...(5) QG2 VAL 58 + HG3 GLU 48 OK 11 64 - 17 - 9040/3.0=5, 9037/4.1=4...(5) QD1 LEU 14 - HG3 GLU 99 poor 6 53 - 11 - 2.1/8415=2, 8417=2, 3.1/8406=2 QG2 VAL 58 - HG3 GLU 17 lone 5 84 - 6 - QD2 LEU 6 - HG3 GLU 17 lone 5 100 - 5 - QD2 LEU 6 - HG3 GLU 99 lone 2 65 - 3 - QD1 ILE 56 - HG3 GLU 17 lone 2 61 - 3 - QD1 LEU 42 - HG3 GLU 99 lone 2 65 - 3 - QG2 VAL 58 - HG3 GLU 99 lone 2 48 - 3 - QD1 ILE 56 - HG3 GLU 48 lone 1 45 - 3 - QD1 ILE 56 - HG3 GLU 99 lone 0 33 - 1 - Peak 10432 from cnoeabs.peaks (0.87, 2.43, 36.00 ppm; 4.45 A): 5 out of 18 assignments used, quality = 0.66: QD1 LEU 2 + HG3 GLU 17 OK 30 84 - 36 - 8056=7, 2.1/10430=5...(10) QG2 ILE 76 + HG3 GLU 48 OK 19 61 - 32 - 9034/4.9=6, 9038/3.0=4...(9) QD1 LEU 2 + HG3 GLU 48 OK 19 64 - 29 - 8055/1.8=8, 8056=7...(7) QG2 ILE 76 + HG3 GLU 17 OK 16 81 - 20 - 9627/5.1=4, 9638/3.9=3...(6) HG13 ILE 8 + HG3 GLU 17 OK 10 65 - 16 - ~12204=2, 3.1/10430=2...(7) HG13 ILE 8 - HG3 GLU 48 poor 8 48 - 18 - 9034/4.9=3, ~8310=3...(7) QD2 LEU 64 - HG3 GLU 17 lone 6 97 - 6 - QD2 LEU 64 - HG3 GLU 48 lone 6 78 - 7 - 2.1/10183=1, 4.5/2257=1 QD1 LEU 38 - HG3 GLU 48 lone 3 74 - 4 - QD1 LEU 103 - HG3 GLU 17 lone 3 99 - 3 - QD1 LEU 2 - HG3 GLU 99 lone 3 48 - 5 - 8056=1 QD1 LEU 38 - HG3 GLU 17 lone 2 94 - 3 - QD1 LEU 103 - HG3 GLU 48 lone 2 81 - 2 - QG2 ILE 76 - HG3 GLU 99 lone 2 46 - 4 - QD2 LEU 64 - HG3 GLU 99 lone 1 60 - 2 - HG13 ILE 8 - HG3 GLU 99 lone 1 36 - 3 - QD1 LEU 103 - HG3 GLU 99 lone 1 63 - 1 - QD1 LEU 38 - HG3 GLU 99 lone 1 57 - 1 - Peak 10433 from cnoeabs.peaks (1.69, 2.01, 29.01 ppm; 3.30 A): 12 out of 80 assignments used, quality = 0.86: HD3 LYS 90 + HB3 GLU 17 OK 24 100 - 24 - ~12232=5, 12233/3.0=4...(8) HG3 LYS 20 + HB3 GLU 17 OK 20 61 - 34 - 3.7/745=4, 3.0/746=3...(14) HB2 LEU 2 + HB3 GLU 17 OK 19 96 - 20 - ~12026=4, 10436/3.0=2...(10) HG LEU 70 + HB2 GLU 35 OK 16 61 - 26 - ~10278=4, 2.1/9549=3...(12) HD2 LYS 20 + HB3 GLU 17 OK 15 73 - 20 - 3.5/746=3, 5.3/745=2...(9) HG LEU 70 + HB3 GLU 44 OK 14 48 - 30 - ~8981=5, 10187/3.0=4...(13) HG LEU 70 + HB2 GLU 44 OK 14 48 - 30 - ~8981=5, 10187/3.0=4...(13) HD3 LYS 20 + HB3 GLU 17 OK 12 61 - 20 - 3.5/746=3, 5.3/745=2...(9) HB2 LEU 2 + HB2 GLU 35 OK 11 57 - 19 - 3.1/8053=3, 3.1/8057=2...(10) HB3 ARG 91 + HB2 GLU 35 OK 11 51 - 22 - 12058/1.8=2, 1.8/10434=2...(8) HG12 ILE 15 + HB3 GLU 17 OK 11 100 - 11 - 4.6/744=2, 661/4.0=2...(5) HD3 LYS 66 + HB2 GLU 35 OK 10 57 - 18 - ~12308=2, ~12289=2...(7) HB3 LYS 40 - HB3 GLU 44 poor 10 41 - 24 - 10187/3.0=5, ~10580=4...(8) HB3 LYS 40 - HB2 GLU 44 poor 10 41 - 24 - 10187/3.0=5, ~10580=4...(8) HD2 LYS 13 - HB3 GLU 17 lone 9 97 - 9 - 10436/3.0=2, ~11024=1, ~10436=1 HD3 LYS 13 - HB3 GLU 17 lone 9 94 - 9 - 10436/3.0=2, ~11024=1, ~10436=1 HD3 LYS 47 - HB2 GLU 44 poor 8 38 - 20 - ~10615=3, 10187/3.0=2...(10) HD3 LYS 47 - HB3 GLU 44 poor 8 38 - 20 - ~10615=3, 10187/3.0=2...(10) HD3 LYS 12 - HB3 GLU 17 lone 7 97 - 7 - 10436/3.0=1 HD2 LYS 12 - HB3 GLU 17 lone 7 97 - 7 - 10436/3.0=1 HD2 LYS 47 - HB3 GLU 44 poor 7 36 - 20 - ~10615=3, 10187/3.0=2...(10) HD2 LYS 47 - HB2 GLU 44 poor 7 36 - 20 - ~10615=3, 10187/3.0=2...(10) HG LEU 70 - HB3 GLU 17 lone 6 99 - 6 - HG2 PRO 86 - HB2 GLU 35 lone 6 64 - 10 - 3835/2.9=2, 3835/2.9=2 HG2 PRO 86 - HB3 GLU 17 lone 5 100 - 5 - ~12333=2 HD3 LYS 24 - HB3 GLU 17 lone 4 100 - 4 - HD2 LYS 24 - HB3 GLU 17 lone 4 100 - 4 - HD3 LYS 90 - HB2 GLU 35 lone 4 63 - 6 - HB3 LYS 53 - HB3 GLU 17 lone 4 96 - 4 - 3.9/9185=1 HD3 LYS 47 - HB2 GLU 35 lone 3 49 - 7 - HD3 LYS 47 - HB3 GLU 17 lone 3 87 - 4 - HD2 LYS 47 - HB2 GLU 35 lone 3 47 - 7 - HD2 LYS 47 - HB3 GLU 17 lone 3 84 - 4 - HB3 LYS 40 - HB2 GLU 35 lone 3 53 - 5 - HB3 ARG 91 - HB3 GLU 17 lone 2 90 - 3 - HD3 LYS 66 - HB3 GLU 17 lone 2 96 - 2 - HG12 ILE 15 - HB2 GLU 35 lone 2 64 - 3 - HD2 LYS 20 - HB2 GLU 35 lone 2 40 - 5 - HD2 LYS 13 - HB3 GLU 44 lone 2 46 - 4 - HD2 LYS 13 - HB2 GLU 44 lone 2 46 - 4 - HB3 LYS 40 - HB3 GLU 17 lone 2 92 - 2 - HD2 LYS 24 - HB2 GLU 44 lone 2 50 - 4 - HD2 LYS 24 - HB3 GLU 44 lone 2 50 - 4 - HD3 LYS 13 - HB2 GLU 44 lone 2 43 - 4 - HD3 LYS 13 - HB3 GLU 44 lone 2 43 - 4 - HG12 ILE 15 - HB3 GLU 44 lone 2 50 - 4 - HG12 ILE 15 - HB2 GLU 44 lone 2 50 - 4 - HD3 LYS 24 - HB2 GLU 44 lone 2 49 - 4 - HD3 LYS 24 - HB3 GLU 44 lone 2 49 - 4 - HB2 LEU 2 - HB3 GLU 44 lone 2 44 - 4 - HB2 LEU 2 - HB2 GLU 44 lone 2 44 - 4 - HB3 ARG 91 - HB2 GLU 44 lone 2 40 - 4 - HB3 ARG 91 - HB3 GLU 44 lone 2 40 - 4 - HD3 LYS 20 - HB2 GLU 35 lone 2 32 - 5 - HB3 LYS 53 - HB2 GLU 35 lone 2 57 - 3 - HD3 LYS 66 - HB3 GLU 44 lone 2 44 - 3 - HD3 LYS 66 - HB2 GLU 44 lone 2 44 - 3 - HG3 LYS 20 - HB2 GLU 35 lone 1 32 - 4 - HG2 PRO 86 - HB2 GLU 44 lone 1 50 - 3 - HG2 PRO 86 - HB3 GLU 44 lone 1 50 - 3 - HB3 LYS 53 - HB2 GLU 44 lone 1 44 - 3 - HB3 LYS 53 - HB3 GLU 44 lone 1 44 - 3 - HD3 LYS 12 - HB3 GLU 44 lone 1 46 - 2 - HD3 LYS 12 - HB2 GLU 44 lone 1 46 - 2 - HD2 LYS 12 - HB3 GLU 44 lone 1 46 - 2 - HD2 LYS 12 - HB2 GLU 44 lone 1 46 - 2 - HD3 LYS 90 - HB3 GLU 44 lone 1 49 - 2 - HD3 LYS 90 - HB2 GLU 44 lone 1 49 - 2 - HD2 LYS 24 - HB2 GLU 35 lone 1 63 - 1 - HD3 LYS 24 - HB2 GLU 35 lone 1 63 - 1 - HD2 LYS 13 - HB2 GLU 35 lone 1 59 - 1 - HD2 LYS 12 - HB2 GLU 35 lone 1 59 - 1 - HD3 LYS 12 - HB2 GLU 35 lone 1 59 - 1 - HD2 LYS 20 - HB3 GLU 44 lone 1 30 - 2 - HD2 LYS 20 - HB2 GLU 44 lone 1 30 - 2 - HD3 LYS 13 - HB2 GLU 35 lone 1 55 - 1 - HG3 LYS 20 - HB2 GLU 44 lone 1 24 - 3 - HG3 LYS 20 - HB3 GLU 44 lone 1 24 - 3 - HD3 LYS 20 - HB3 GLU 44 lone 1 24 - 2 - HD3 LYS 20 - HB2 GLU 44 lone 1 24 - 2 - Peak 10434 from cnoeabs.peaks (1.48, 2.01, 29.01 ppm; 4.15 A): 10 out of 48 assignments used, quality = 0.81: HB2 ARG 91 + HB2 GLU 35 OK 22 60 - 37 - 4026/3.0=5, 8776/4.0=4...(18) HG2 LYS 66 + HB2 GLU 35 OK 18 51 - 36 - 12158/1.8=4, 12157=3...(19) HG2 LYS 73 + HB3 GLU 17 OK 17 87 - 19 - 10183/3.0=3, 12182/3.0=3...(5) HG2 LYS 47 + HB3 GLU 44 OK 17 40 - 42 - ~10615=8, ~1999=6...(12) HG2 LYS 47 + HB2 GLU 44 OK 17 40 - 42 - ~10615=8, ~1999=6...(12) HG3 LYS 66 + HB2 GLU 35 OK 16 47 - 36 - 12156/1.8=4, 12155=3...(19) HD3 LYS 40 + HB2 GLU 44 OK 11 32 - 35 - ~10580=8, ~10186=6...(9) HD3 LYS 40 + HB3 GLU 44 OK 11 32 - 35 - ~10580=8, ~10186=6...(9) HD2 LYS 40 + HB2 GLU 44 OK 11 30 - 35 - ~10580=8, ~10186=6...(9) HD2 LYS 40 + HB3 GLU 44 OK 11 30 - 35 - ~10580=8, ~10186=6...(9) HG2 LYS 47 - HB3 GLU 17 lone 7 90 - 8 - 10183/3.0=1 HG3 LYS 13 - HB3 GLU 17 poor 7 70 - 11 - 10183/3.0=2, 12182/3.0=2 HG3 LYS 53 - HB3 GLU 17 lone 6 87 - 7 - 5.0/9185=2, 10183/3.0=1 HG2 LYS 47 - HB2 GLU 35 poor 6 51 - 12 - 8776/4.0=1 HG LEU 64 - HB3 GLU 17 lone 5 100 - 5 - HB2 ARG 91 - HB3 GLU 17 lone 4 98 - 4 - HG2 LYS 53 - HB3 GLU 17 lone 4 70 - 6 - 5.0/9185=2 HB3 LEU 64 - HB3 GLU 17 lone 4 92 - 4 - HG2 LYS 66 - HB3 GLU 17 lone 4 90 - 4 - HG3 LYS 66 - HB3 GLU 17 lone 4 84 - 4 - HB2 ARG 91 - HB3 GLU 44 lone 3 47 - 6 - 10798/3.0=1 HB2 ARG 91 - HB2 GLU 44 lone 3 47 - 6 - 10798/3.0=1 HG2 LYS 66 - HB3 GLU 44 lone 3 40 - 7 - 10798/3.0=1, ~10798=1 HG2 LYS 66 - HB2 GLU 44 lone 3 40 - 7 - 10798/3.0=1, ~10798=1 HG3 LYS 66 - HB3 GLU 44 lone 3 36 - 7 - 10798/3.0=1, ~10798=1 HG3 LYS 66 - HB2 GLU 44 lone 3 36 - 7 - 10798/3.0=1, ~10798=1 HD3 LYS 40 - HB3 GLU 17 lone 2 77 - 3 - HG2 LYS 73 - HB2 GLU 35 lone 2 49 - 5 - HD3 LYS 40 - HB2 GLU 35 lone 2 42 - 6 - 8781/4.7=2 HD2 LYS 40 - HB3 GLU 17 lone 2 73 - 3 - HD2 LYS 40 - HB2 GLU 35 lone 2 40 - 6 - 8781/4.7=2 HG3 LYS 53 - HB2 GLU 35 lone 2 49 - 5 - 5.0/9185=1 HG LEU 64 - HB2 GLU 35 lone 2 64 - 3 - HB3 LEU 64 - HB2 GLU 35 lone 2 53 - 4 - HG2 LYS 73 - HB3 GLU 44 lone 2 38 - 5 - 10798/3.0=1 HG2 LYS 73 - HB2 GLU 44 lone 2 38 - 5 - 10798/3.0=1 HG3 LYS 13 - HB2 GLU 44 lone 2 28 - 6 - 10798/3.0=1 HG3 LYS 13 - HB3 GLU 44 lone 2 28 - 6 - 10798/3.0=1 HG2 LYS 53 - HB2 GLU 35 lone 2 37 - 4 - 5.0/9185=1 HG3 LYS 53 - HB3 GLU 44 lone 2 38 - 4 - HG3 LYS 53 - HB2 GLU 44 lone 2 38 - 4 - HG2 LYS 53 - HB3 GLU 44 lone 1 28 - 4 - HG2 LYS 53 - HB2 GLU 44 lone 1 28 - 4 - HG3 LYS 13 - HB2 GLU 35 lone 1 37 - 3 - HG LEU 64 - HB3 GLU 44 lone 1 50 - 2 - HG LEU 64 - HB2 GLU 44 lone 1 50 - 2 - HB3 LEU 64 - HB3 GLU 44 lone 1 41 - 2 - HB3 LEU 64 - HB2 GLU 44 lone 1 41 - 2 - Peak 10436 from cnoeabs.peaks (1.70, 2.24, 36.00 ppm; 4.16 A): 7 out of 15 assignments used, quality = 0.83: HD3 LYS 90 + HG2 GLU 17 OK 42 98 - 44 - ~12232=11, 12233=8...(13) HB2 LEU 2 + HG2 GLU 17 OK 29 100 - 29 - ~12026=6, ~10432=4...(10) HD3 LYS 13 + HG2 GLU 17 OK 21 100 - 21 - 2.9/11024=4, 2.9/11024=4...(8) HD2 LYS 13 + HG2 GLU 17 OK 21 100 - 21 - 2.9/11024=4, 2.9/11024=4...(8) HD2 LYS 12 + HG2 GLU 17 OK 14 100 - 14 - 3.0/11024=2, 12233=2...(5) HD3 LYS 12 + HG2 GLU 17 OK 14 100 - 14 - 3.0/11024=2, 12233=2...(5) HG12 ILE 15 + HG2 GLU 17 OK 13 94 - 14 - 4.6/751=4, 12233=2...(5) HD3 LYS 24 - HG2 GLU 17 lone 8 98 - 8 - 3.0/11024=2, 3.0/11024=2 HD2 LYS 24 - HG2 GLU 17 lone 8 97 - 8 - 3.0/11024=2, 3.0/11024=2 HG LEU 70 - HG2 GLU 17 lone 7 99 - 7 - ~10430=1 HG2 PRO 86 - HG2 GLU 17 lone 7 92 - 8 - ~12333=4 HB3 LEU 70 - HG2 GLU 17 lone 6 84 - 7 - 10184/1.8=1 HD3 LYS 66 - HG2 GLU 17 lone 3 100 - 3 - HB3 LYS 53 - HG2 GLU 17 lone 2 70 - 2 - HB3 LYS 40 - HG2 GLU 17 lone 1 61 - 2 - Peak 10437 from cnoeabs.peaks (2.03, 1.23, 17.96 ppm; 4.13 A): 2 out of 10 assignments used, quality = 0.85: HG12 ILE 93 + QB ALA 18 OK 78 98 - 79 - 2.1/10020=44, ~10026=26...(10) HB2 MET 21 + QB ALA 18 OK 33 61 - 53 - 959/2.1=14, ~968=11...(10) HB3 LYS 94 - QB ALA 18 lone 8 94 - 8 - 4166/10020=2, ~12030=1 HB3 GLU 99 - QB ALA 18 lone 8 98 - 8 - 3.9/8495=2, ~770=1 HB2 GLN 50 - QB ALA 18 lone 7 96 - 7 - ~8493=1, ~771=1, ~6271=1 HB2 GLU 99 - QB ALA 18 lone 7 87 - 8 - 3.9/8495=2 HB3 GLU 48 - QB ALA 18 lone 5 73 - 7 - ~6271=2, ~764=1 HB3 GLU 98 - QB ALA 18 lone 5 87 - 5 - 4.6/8495=2 HB2 GLU 98 - QB ALA 18 lone 5 84 - 5 - 4.6/8495=2 HB2 GLU 62 - QB ALA 18 lone 2 73 - 2 - Peak 10439 from cnoeabs.peaks (1.22, 1.89, 29.57 ppm; 5.29 A): 1 out of 1 assignment used, quality = 0.88: QB ALA 18 + HB2 ARG 19 OK 88 97 - 90 - 6283/3.9=40...(15) Peak 10440 from cnoeabs.peaks (1.23, 1.93, 29.57 ppm; 5.05 A): 2 out of 2 assignments used, quality = 0.91: QB ALA 18 + HB3 ARG 19 OK 90 100 - 90 - 6283/3.9=39...(13) QG2 THR 84 + HB3 ARG 19 OK 12 70 - 17 - 8526/4.1=6, 6283/3.9=4...(5) Peak 10443 from cnoeabs.peaks (1.61, 2.10, 17.93 ppm; 3.33 A): 2 out of 10 assignments used, quality = 0.55: HD3 LYS 94 + QE MET 21 OK 36 90 - 40 - 3.0/8551=10, 1.8/12250=7...(10) HD2 LYS 94 + QE MET 21 OK 31 77 - 40 - 3.0/8551=10, 12250=7...(10) HD2 LYS 66 - QE MET 21 poor 10 96 - 10 - 1.8/10444=3, 5.1/8540=2, 12288=1 HB3 LEU 29 - QE MET 21 poor 9 84 - 11 - 3.1/10445=5, 3.1/10445=3 HG LEU 27 - QE MET 21 lone 7 90 - 8 - 2.1/8552=1 HG3 LYS 73 - QE MET 21 lone 6 90 - 6 - HG3 LYS 12 - QE MET 21 lone 6 77 - 7 - 3.7/8541=1, 3.0/10444=1 HG3 LYS 47 - QE MET 21 lone 5 84 - 7 - 4.9/8539=2 HB2 ARG 30 - QE MET 21 lone 4 98 - 4 - HB2 ARG 79 - QE MET 21 lone 1 94 - 1 - Peak 10444 from cnoeabs.peaks (1.71, 2.10, 17.93 ppm; 3.37 A): 0 out of 17 assignments used, low quality = 0.28: HD3 LYS 90 - QE MET 21 OK 28 77 - 36 - 5.2/8543=7, 6.1/8537=6...(13) HB3 LEU 70 - QE MET 21 lone 10 99 - 10 - 4.1/8536=3, 3.1/10278=2 HG2 PRO 86 - QE MET 21 poor 9 61 - 15 - 3.8/8540=5, 1.8/3841=2...(6) HD3 LYS 66 - QE MET 21 lone 7 92 - 8 - 1.8/10443=3, 5.1/8540=2 HB2 LEU 2 - QE MET 21 lone 6 92 - 7 - 1.8/8551=3 HG LEU 70 - QE MET 21 lone 5 84 - 6 - 2.1/10278=2 HG12 ILE 15 - QE MET 21 lone 5 65 - 8 - 1.8/8552=2, 2.1/8552=2 HD3 LYS 12 - QE MET 21 lone 5 90 - 5 - 3.0/10443=1 HD2 LYS 12 - QE MET 21 lone 5 90 - 5 - 3.0/10443=1 HD3 LYS 24 - QE MET 21 lone 4 77 - 5 - 6.3/8538=2 HD2 LYS 24 - QE MET 21 lone 4 73 - 5 - 6.3/8538=2 HB ILE 15 - QE MET 21 lone 4 65 - 6 - 2.9/8552=1, 3.2/8552=1 HD3 LYS 13 - QE MET 21 lone 2 94 - 2 - HD2 LYS 13 - QE MET 21 lone 2 90 - 2 - HD2 ARG 81 - QE MET 21 lone 1 81 - 2 - HD2 LYS 33 - QE MET 21 lone 1 84 - 1 - HD3 LYS 33 - QE MET 21 lone 1 84 - 1 - Peak 10445 from cnoeabs.peaks (0.66, 2.10, 17.93 ppm; 4.85 A): 0 out of 5 assignments used, low quality = 0.40: QD1 LEU 29 - QE MET 21 OK 22 98 - 23 - 8690/1000=6, 10442/6.1=6...(6) QD2 LEU 29 - QE MET 21 OK 12 70 - 17 - 10442/6.1=5, 8568/1000=4...(5) QG2 VAL 54 - QE MET 21 OK 12 99 - 12 - 10442/6.1=4, 2.1/8552=2 QD1 LEU 14 - QE MET 21 poor 10 65 - 15 - 2.1/10407=3, 4.8/8538=2 QG2 VAL 58 - QE MET 21 poor 8 73 - 10 - 4.2/1000=3, 2.1/9382=2 Peak 10447 from cnoeabs.peaks (4.13, 3.83, 55.43 ppm; 4.76 A): 5 out of 5 assignments used, quality = 0.81: HA GLU 23 + HA ALA 22 OK 66 77 - 86 - 3.0/1004=29, ~6361=20...(14) HA GLU 99 + HA ALA 22 OK 19 96 - 19 - 3.0/7601=4, 10451/2.1=4...(7) HA GLU 104 + HA ALA 22 OK 13 99 - 13 - 10451/2.1=3, 10446/3.0=2...(5) HA LYS 47 + HA ALA 22 OK 13 87 - 15 - 10451/2.1=3, 10446/3.0=2...(6) HA GLU 62 + HA ALA 22 OK 11 92 - 11 - 3.0/8574=2, 10451/2.1=2...(5) Peak 10448 from cnoeabs.peaks (4.40, 3.83, 55.43 ppm; 4.70 A): 4 out of 6 assignments used, quality = 0.93: HA ALA 25 + HA ALA 22 OK 68 94 - 73 - 3.0/1005=32, 2.1/1154=29...(10) HA MET 21 + HA ALA 22 OK 68 97 - 70 - ~6338=19, ~967=16...(15) HA MET 74 + HA ALA 22 OK 19 100 - 19 - 3.0/10861=3, 6346/3.0=3...(10) HA VAL 32 + HA ALA 22 OK 11 97 - 11 - ~10517=3, 6346/3.0=2...(4) HA HIS 106 - HA ALA 22 lone 8 100 - 8 - 955/3.0=4, 6360/3.6=2 HA GLN 50 - HA ALA 22 lone 6 98 - 7 - 6346/3.0=2, ~8584=2 Peak 10451 from cnoeabs.peaks (4.14, 1.44, 18.06 ppm; 4.89 A): 4 out of 7 assignments used, quality = 0.95: HA GLU 23 + QB ALA 22 OK 92 92 - 100 - 4.5=100 HA GLU 99 + QB ALA 22 OK 17 84 - 20 - 10447/2.1=6, ~7601=3...(7) HA GLU 104 + QB ALA 22 OK 15 92 - 16 - 10447/2.1=4, 3.0/8582=3...(5) HA LYS 47 + QB ALA 22 OK 13 97 - 13 - 10447/2.1=4, 6364/3.6=3 HA GLN 72 - QB ALA 22 poor 9 65 - 14 - 6364/3.6=4, 3.0/8584=3 HA LYS 13 - QB ALA 22 poor 8 65 - 12 - 2.9/6176=2, 6364/3.6=2...(4) HA GLU 62 - QB ALA 22 lone 7 77 - 9 - 10447/2.1=3, ~8574=1...(4) Peak 10452 from cnoeabs.peaks (4.31, 1.44, 18.06 ppm; 5.20 A): 3 out of 4 assignments used, quality = 0.72: HA GLU 28 + QB ALA 22 OK 51 100 - 52 - 3.6/8586=22...(9) HA LEU 103 + QB ALA 22 OK 32 98 - 33 - 4466/3.6=10, 10115/2.1=6...(10) HA ASP 65 + QB ALA 22 OK 15 98 - 15 - 3.6/8587=8, 6462/8586=1 HA ASP 36 - QB ALA 22 lone 4 65 - 7 - 3.0/8585=1, 3.0/8585=1 Peak 10453 from cnoeabs.peaks (5.66, 1.44, 18.06 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.86: HA LEU 29 + QB ALA 22 OK 86 100 - 86 - 2.9/8577=33, 2.9/8586=24...(17) Peak 10455 from cnoeabs.peaks (4.65, 1.44, 18.06 ppm; 6.16 A): 1 out of 2 assignments used, quality = 0.68: HA LEU 27 + QB ALA 22 OK 68 100 - 69 - ~8638=21, ~8636=16...(9) HA LEU 55 - QB ALA 22 lone 3 73 - 5 - Peak 10456 from cnoeabs.peaks (1.76, 1.44, 18.06 ppm; 4.76 A): 3 out of 6 assignments used, quality = 0.62: HG3 ARG 19 + QB ALA 22 OK 41 100 - 41 - 4.0/1007=9, 8673/8580=6...(13) HB2 GLU 28 + QB ALA 22 OK 24 65 - 37 - 4.6/8586=16...(5) HB2 LYS 66 + QB ALA 22 OK 15 98 - 16 - 4.0/8587=6, 1.8/8582=3...(4) HB3 LYS 82 - QB ALA 22 lone 6 99 - 6 - ~1006=1 HB ILE 56 - QB ALA 22 lone 5 100 - 5 - ~9322=1 HB3 GLU 63 - QB ALA 22 lone 4 65 - 6 - 10752/2.9=1, ~10753=1 Peak 10459 from cnoeabs.peaks (1.44, 2.49, 36.23 ppm; 4.35 A): 2 out of 8 assignments used, quality = 0.75: QB ALA 22 + HG3 GLU 23 OK 66 100 - 66 - 3.6/1042=22...(9) HG3 ARG 91 + HG3 GLU 23 OK 27 70 - 40 - 1.8/4050=7, 2.8/4031=5...(17) HG LEU 29 - HG3 GLU 23 lone 8 100 - 8 - 6363/5.0=3, 1003/12338=2 HG13 ILE 76 - HG3 GLU 23 lone 8 100 - 8 - 4.5/1048=2, 6363/5.0=2 HG2 LYS 13 - HG3 GLU 23 lone 6 99 - 6 - 3.9/1043=1, 518/4.2=1 HG2 LYS 12 - HG3 GLU 23 lone 5 92 - 5 - 1.8/10464=1 HG3 LYS 39 - HG3 GLU 23 lone 4 98 - 4 - 1.8/10465=1 HG12 ILE 7 - HG3 GLU 23 lone 2 90 - 2 - Peak 10460 from cnoeabs.peaks (1.46, 2.27, 36.23 ppm; 4.24 A): 5 out of 56 assignments used, quality = 0.71: HG3 ARG 91 + HG2 GLU 23 OK 36 97 - 38 - 10463/4.2=6, 4059/1.8=5...(14) HG13 ILE 52 + HG2 GLU 95 OK 31 86 - 37 - ~10040=17, ~10041=7...(6) HB2 LEU 38 + HG2 GLU 23 OK 15 99 - 15 - 10463/4.2=3, 10462/2.9=2...(5) HG LEU 38 + HG2 GLU 23 OK 14 100 - 14 - 10463/4.2=3, 10462/2.9=2...(5) HG2 LYS 20 + HG2 GLU 23 OK 10 100 - 10 - 10462/2.9=2, 3.7/10470=2...(4) HB2 LEU 27 - HG2 GLU 23 lone 9 100 - 9 - 10463/4.2=4, ~10465=2...(4) HG13 ILE 52 - HG2 GLU 23 lone 6 100 - 6 - 2.1/11013=2, 10463/4.2=1 HD2 LYS 40 - HG2 GLU 23 lone 6 99 - 6 - 10463/4.2=1 HD3 LYS 40 - HG2 GLU 23 lone 5 98 - 6 - 10463/4.2=1 HG2 LYS 53 - HG2 GLU 23 lone 5 99 - 5 - 10463/4.2=1 HG3 LYS 53 - HG2 GLU 23 lone 5 94 - 5 - 10463/4.2=1 HD2 LYS 53 - HG2 GLU 23 lone 4 100 - 4 - HB2 LEU 38 - HG3 GLU 62 poor 4 38 - 11 - 3.8/6583=4 HB2 LEU 38 - HG2 GLU 62 poor 4 38 - 11 - 3.8/6583=4 HD2 LYS 82 - HG2 GLU 23 lone 4 100 - 4 - HD2 LYS 82 - HG2 GLU 95 lone 4 87 - 4 - ~10040=2 HB2 LEU 27 - HG2 GLU 95 lone 4 86 - 4 - ~10041=1 HG LEU 38 - HG3 GLU 62 lone 4 40 - 9 - 5.3/6583=3 HG LEU 38 - HG2 GLU 62 lone 4 40 - 9 - 5.3/6583=3 HG2 LYS 12 - HG2 GLU 23 lone 3 81 - 4 - HB2 LEU 38 - HG2 GLU 95 lone 3 85 - 3 - HG LEU 38 - HG2 GLU 95 lone 3 87 - 3 - HG3 ARG 91 - HG2 GLU 95 lone 2 81 - 3 - HG3 LYS 39 - HG2 GLU 95 lone 2 50 - 4 - HG2 LYS 20 - HG2 GLU 95 lone 2 86 - 2 - HD2 LYS 40 - HG3 GLU 62 lone 2 38 - 5 - HD2 LYS 40 - HG2 GLU 62 lone 2 38 - 5 - HG3 LYS 39 - HG2 GLU 23 lone 2 65 - 3 - HD3 LYS 40 - HG2 GLU 62 lone 2 37 - 5 - HD3 LYS 40 - HG3 GLU 62 lone 2 37 - 5 - HD2 LYS 40 - HG2 GLU 95 lone 2 84 - 2 - HD3 LYS 40 - HG2 GLU 95 lone 2 82 - 2 - HG2 LYS 53 - HG2 GLU 95 lone 1 85 - 1 - HD2 LYS 53 - HG2 GLU 95 lone 1 87 - 1 - HG2 LYS 12 - HG2 GLU 95 lone 1 63 - 2 - HG3 ARG 91 - HG3 GLU 62 lone 1 36 - 3 - HG3 ARG 91 - HG2 GLU 62 lone 1 36 - 3 - HG3 LYS 53 - HG2 GLU 95 lone 1 77 - 1 - HG13 ILE 52 - HG3 GLU 62 lone 1 39 - 3 - HG13 ILE 52 - HG2 GLU 62 lone 1 39 - 3 - HB2 LEU 27 - HG2 GLU 62 lone 1 39 - 3 - HB2 LEU 27 - HG3 GLU 62 lone 1 39 - 3 - HG2 LYS 20 - HG3 GLU 62 lone 1 39 - 3 - HG2 LYS 20 - HG2 GLU 62 lone 1 39 - 3 - HD2 LYS 82 - HG2 GLU 62 lone 1 40 - 2 - HD2 LYS 82 - HG3 GLU 62 lone 1 40 - 2 - HD2 LYS 53 - HG2 GLU 62 lone 1 40 - 2 - HD2 LYS 53 - HG3 GLU 62 lone 1 40 - 2 - HG2 LYS 53 - HG2 GLU 62 lone 1 38 - 2 - HG2 LYS 53 - HG3 GLU 62 lone 1 38 - 2 - HG3 LYS 53 - HG2 GLU 62 lone 1 34 - 2 - HG3 LYS 53 - HG3 GLU 62 lone 1 34 - 2 - HG2 LYS 12 - HG2 GLU 62 lone 0 27 - 2 - HG2 LYS 12 - HG3 GLU 62 lone 0 27 - 2 - HG3 LYS 39 - HG3 GLU 62 lone 0 20 - 2 - HG3 LYS 39 - HG2 GLU 62 lone 0 20 - 2 - Peak 10461 from cnoeabs.peaks (1.48, 2.15, 29.16 ppm; 4.21 A): 0 out of 34 assignments used, low quality = 0.42: HB2 ARG 91 - HB3 GLU 23 OK 35 90 - 40 - 3.5/1033=5, 4031/2.9=4...(17) HG LEU 38 - HB3 GLU 23 OK 11 73 - 15 - 10463/3.0=3, ~10463=2...(8) HG2 LYS 20 - HB3 GLU 23 poor 10 65 - 15 - 3.7/1027=7, 10463/3.0=2 HG13 ILE 52 - HB3 GLU 95 poor 9 30 - 29 - ~10040=14, ~10042=6...(5) HG2 LYS 47 - HB3 GLU 23 lone 7 73 - 10 - ~2169=1, 3.9/1029=1 HB2 LEU 27 - HB3 GLU 23 lone 5 65 - 8 - 10463/3.0=3, ~10465=2 HD3 LYS 40 - HB3 GLU 23 lone 5 92 - 6 - 10463/3.0=1, ~10463=1 HG3 LYS 53 - HB3 GLU 23 lone 5 97 - 5 - 10463/3.0=1 HD2 LYS 40 - HB3 GLU 23 lone 5 90 - 6 - 10463/3.0=1, ~10463=1 HG2 LYS 53 - HB3 GLU 23 lone 5 87 - 5 - 10463/3.0=1 HG2 LYS 73 - HB3 GLU 95 poor 4 33 - 13 - ~9581=3, 1.8/12183=3...(4) HG2 LYS 73 - HB3 GLU 23 lone 4 70 - 5 - 1.8/12183=1, 4.9/7198=1 HG2 LYS 66 - HB3 GLU 23 lone 4 73 - 5 - ~12290=1 HG3 LYS 66 - HB3 GLU 23 lone 3 65 - 5 - ~12290=1 HD2 LYS 53 - HB3 GLU 23 lone 3 73 - 4 - HG13 ILE 52 - HB3 GLU 23 lone 3 65 - 4 - 10463/3.0=1 HD2 LYS 82 - HB3 GLU 23 lone 2 73 - 3 - HG2 LYS 66 - HB3 GLU 95 lone 2 35 - 6 - ~12290=2 HG LEU 64 - HB3 GLU 23 lone 2 99 - 2 - HG3 LYS 66 - HB3 GLU 95 lone 2 30 - 6 - ~12290=2 HB2 LEU 27 - HB3 GLU 95 lone 1 30 - 4 - ~11012=1 HB2 ARG 91 - HB3 GLU 95 lone 1 45 - 3 - HB3 LEU 64 - HB3 GLU 23 lone 1 77 - 1 - HD2 LYS 82 - HB3 GLU 95 lone 1 35 - 2 - ~10040=1 HG LEU 38 - HB3 GLU 95 lone 1 35 - 2 - HG2 LYS 47 - HB3 GLU 95 lone 1 35 - 2 - HG LEU 64 - HB3 GLU 95 lone 1 54 - 1 - HD3 LYS 40 - HB3 GLU 95 lone 1 47 - 1 - HG3 LYS 53 - HB3 GLU 95 lone 1 52 - 1 - HG2 LYS 20 - HB3 GLU 95 lone 1 30 - 2 - HD2 LYS 40 - HB3 GLU 95 lone 1 45 - 1 - HG2 LYS 53 - HB3 GLU 95 lone 0 43 - 1 - HB3 LEU 64 - HB3 GLU 95 lone 0 37 - 1 - HD2 LYS 53 - HB3 GLU 95 lone 0 35 - 1 - Peak 10462 from cnoeabs.peaks (1.46, 2.09, 29.16 ppm; 3.84 A): 9 out of 28 assignments used, quality = 0.87: HG3 ARG 91 + HB2 GLU 23 OK 36 97 - 37 - 10463/3.0=7, 2.9/1025=4...(13) HB2 LEU 38 + HB3 GLU 35 OK 30 71 - 42 - 1629=4, 1627/3.0=3...(20) HG LEU 38 + HB3 GLU 35 OK 27 73 - 37 - 2.1/1653=3, 2.1/1661=3...(19) HG3 ARG 91 + HB3 GLU 35 OK 18 67 - 26 - ~4045=2, ~4016=2...(11) HB2 LEU 38 + HB2 GLU 23 OK 17 99 - 17 - 10463/3.0=3, 10460/2.9=2...(5) HG LEU 38 + HB2 GLU 23 OK 16 100 - 16 - 10463/3.0=3, 10460/2.9=2...(5) HG2 LYS 20 + HB2 GLU 23 OK 16 100 - 16 - 3.7/1019=6, 10463/3.0=2...(4) HG3 LYS 39 + HB3 GLU 35 OK 12 40 - 29 - ~12072=4, 12073/1.8=4...(14) HB2 LEU 27 + HB2 GLU 23 OK 10 100 - 11 - 10463/3.0=4, ~10465=1...(4) HD2 LYS 40 - HB2 GLU 23 lone 6 99 - 6 - 10463/3.0=1 HD3 LYS 40 - HB2 GLU 23 lone 6 98 - 6 - 10463/3.0=1 HG13 ILE 52 - HB2 GLU 23 lone 6 100 - 6 - 10463/3.0=1 HG2 LYS 53 - HB2 GLU 23 lone 6 99 - 6 - 10463/3.0=1 HG3 LYS 53 - HB2 GLU 23 lone 5 94 - 6 - 10463/3.0=1 HD2 LYS 53 - HB2 GLU 23 lone 5 100 - 5 - 10463/3.0=1 HG2 LYS 20 - HB3 GLU 35 lone 5 72 - 7 - HD2 LYS 40 - HB3 GLU 35 lone 4 70 - 6 - 8781/4.7=2 HD3 LYS 40 - HB3 GLU 35 lone 4 68 - 6 - 8781/4.7=2 HD2 LYS 82 - HB2 GLU 23 lone 4 100 - 4 - HG13 ILE 52 - HB3 GLU 35 lone 4 72 - 5 - HG2 LYS 12 - HB2 GLU 23 lone 3 81 - 4 - HD2 LYS 53 - HB3 GLU 35 lone 2 73 - 3 - HG2 LYS 53 - HB3 GLU 35 lone 2 71 - 3 - HB2 LEU 27 - HB3 GLU 35 lone 2 72 - 3 - HG3 LYS 39 - HB2 GLU 23 lone 2 65 - 3 - HD2 LYS 82 - HB3 GLU 35 lone 2 73 - 2 - HG3 LYS 53 - HB3 GLU 35 lone 2 63 - 2 - HG2 LYS 12 - HB3 GLU 35 lone 1 51 - 2 - Peak 10463 from cnoeabs.peaks (1.46, 4.15, 59.00 ppm; 3.70 A): 0 out of 14 assignments used, low quality = 0.30: HG3 ARG 91 - HA GLU 23 OK 20 90 - 23 - 2.9/1017=4, 10462/3.0=4...(8) HB2 LEU 27 - HA GLU 23 OK 12 98 - 12 - 4.0/8637=7, 10462/3.0=1...(4) HG LEU 38 - HA GLU 23 lone 10 99 - 10 - 10462/3.0=2, 10461/3.0=1...(4) HB2 LEU 38 - HA GLU 23 lone 10 96 - 10 - 10462/3.0=2, 1.8/1014=2 HG2 LYS 20 - HA GLU 23 lone 7 98 - 7 - 10462/3.0=2, 10461/3.0=1 HD2 LYS 40 - HA GLU 23 lone 4 100 - 4 - HD3 LYS 40 - HA GLU 23 lone 4 100 - 4 - HG13 ILE 52 - HA GLU 23 lone 4 98 - 4 - HG2 LYS 53 - HA GLU 23 lone 4 100 - 4 - HG3 LYS 53 - HA GLU 23 lone 3 99 - 3 - HD2 LYS 53 - HA GLU 23 lone 3 99 - 3 - HD2 LYS 82 - HA GLU 23 lone 3 99 - 3 - HG2 LYS 12 - HA GLU 23 lone 2 65 - 4 - HG LEU 64 - HA GLU 23 lone 1 70 - 2 - Peak 10464 from cnoeabs.peaks (1.58, 2.49, 36.23 ppm; 4.37 A): 5 out of 12 assignments used, quality = 0.57: HG2 ARG 19 + HG3 GLU 23 OK 23 98 - 24 - 12291=15, 4.0/12338=3, ~8525=2 HD3 LYS 94 + HG3 GLU 23 OK 20 61 - 33 - 3.0/10465=11...(8) HG2 LYS 24 + HG3 GLU 23 OK 13 97 - 14 - 5.1/1048=8, 10458/5.0=2 HB2 LEU 103 + HG3 GLU 23 OK 10 98 - 10 - 4474/5.0=5, 4.0/1042=3 HG3 LYS 90 + HG3 GLU 23 OK 10 99 - 10 - 10311/2.9=2, ~11077=1, ~10308=1 HG LEU 103 - HG3 GLU 23 lone 10 100 - 10 - 4490/5.0=5, 5.3/1042=2 HG LEU 27 - HG3 GLU 23 lone 6 61 - 9 - 3.0/10465=2, 10458/5.0=1 HB3 LEU 29 - HG3 GLU 23 lone 5 70 - 7 - 3.0/10459=2, 10458/5.0=2 HG3 LYS 12 - HG3 GLU 23 lone 4 77 - 5 - 1.8/10459=1 HD3 LYS 82 - HG3 GLU 23 lone 3 84 - 4 - HG3 LYS 73 - HG3 GLU 23 lone 3 61 - 5 - HB3 GLU 28 - HG3 GLU 23 lone 1 73 - 1 - Peak 10465 from cnoeabs.peaks (1.33, 2.49, 36.23 ppm; 4.72 A): 3 out of 9 assignments used, quality = 0.62: HG2 LYS 94 + HG3 GLU 23 OK 42 94 - 45 - 1.8/12257=14, 12255=10...(10) QB ALA 89 + HG3 GLU 23 OK 22 94 - 23 - 9933/2.9=5, ~7404=4...(6) QB ALA 25 + HG3 GLU 23 OK 17 94 - 18 - 1154/12338=5, ~8612=4...(5) HB3 LEU 27 - HG3 GLU 23 poor 9 81 - 12 - 1006/12338=3...(5) QB ALA 67 - HG3 GLU 23 lone 5 97 - 5 - 4.9/8513=2 HB3 LEU 2 - HG3 GLU 23 lone 4 100 - 4 - HG2 LYS 39 - HG3 GLU 23 lone 4 77 - 5 - 1.8/10459=1 HB2 LYS 82 - HG3 GLU 23 lone 3 84 - 4 - HG3 LYS 68 - HG3 GLU 23 lone 3 61 - 5 - 4.0/8513=2 Peak 10470 from cnoeabs.peaks (4.04, 2.27, 36.23 ppm; 3.41 A): 6 out of 28 assignments used, quality = 0.85: HA GLU 95 + HG2 GLU 95 OK 51 60 - 85 - 4.1=57, 4308/1.8=14...(13) HA GLU 16 + HG2 GLU 23 OK 33 97 - 34 - 1027/2.9=7, 10471/1.8=7...(14) HA GLU 95 + HG2 GLU 23 OK 28 77 - 37 - 3.0/4289=6, 4278=6...(13) HB3 SER 59 + HG2 GLU 23 OK 16 100 - 16 - 1.8/1036=2, ~1043=2...(8) HA LYS 20 + HG2 GLU 23 OK 13 81 - 16 - 1027/2.9=4, 1019/2.9=4...(4) HA GLU 17 + HG2 GLU 23 OK 11 77 - 15 - 1027/2.9=3, 10471/1.8=3...(6) HA GLU 16 - HG2 GLU 95 lone 7 81 - 9 - 688/2.9=1 HA GLU 95 - HG3 GLU 62 poor 7 25 - 28 - 4278=4, 3.0/7541=4...(13) HA GLU 95 - HG2 GLU 62 poor 7 25 - 28 - 4278=4, 3.0/7541=4...(13) HB3 SER 59 - HG2 GLU 95 lone 7 86 - 8 - 4308/1.8=1, 4.6/9412=1 HA LEU 70 - HG2 GLU 95 poor 6 50 - 12 - 4308/1.8=3, 4286/2.9=3...(4) HB2 SER 49 - HG2 GLU 23 lone 2 57 - 4 - HA GLU 17 - HG2 GLU 62 lone 2 25 - 9 - 729/1.8=1 HA GLU 17 - HG3 GLU 62 lone 2 25 - 9 - 729/1.8=1 HA LEU 70 - HG2 GLU 23 lone 2 65 - 3 - HA LYS 20 - HG2 GLU 95 lone 2 63 - 3 - HA GLU 16 - HG3 GLU 62 lone 1 36 - 4 - HA GLU 16 - HG2 GLU 62 lone 1 36 - 4 - HA GLU 17 - HG2 GLU 95 lone 1 60 - 2 - HB3 SER 59 - HG2 GLU 62 lone 1 40 - 1 - HB3 SER 59 - HG3 GLU 62 lone 1 40 - 1 - HA LYS 20 - HG2 GLU 62 lone 1 27 - 2 - HA LYS 20 - HG3 GLU 62 lone 1 27 - 2 - HB2 SER 49 - HG2 GLU 95 lone 0 43 - 1 - HA LEU 70 - HG2 GLU 62 lone 0 20 - 2 - HA LEU 70 - HG3 GLU 62 lone 0 20 - 2 - HB2 SER 49 - HG2 GLU 62 lone 0 17 - 1 - HB2 SER 49 - HG3 GLU 62 lone 0 17 - 1 - Peak 10471 from cnoeabs.peaks (4.05, 2.49, 36.23 ppm; 4.07 A): 4 out of 5 assignments used, quality = 0.79: HA GLU 16 + HG3 GLU 23 OK 51 97 - 54 - 1027/2.9=15, 1019/2.9=13...(17) HA LYS 20 + HG3 GLU 23 OK 29 100 - 30 - 1027/2.9=8, 1019/2.9=8...(5) HA GLU 17 + HG3 GLU 23 OK 24 100 - 24 - 1027/2.9=7, 1019/2.9=6...(6) HB3 SER 59 + HG3 GLU 23 OK 18 77 - 23 - 1.8/1043=5, 1027/2.9=4...(9) HB2 SER 49 - HG3 GLU 23 lone 7 98 - 6 - 1027/2.9=2, 1019/2.9=2 Peak 10472 from cnoeabs.peaks (1.57, 4.41, 51.21 ppm; 4.54 A): 2 out of 7 assignments used, quality = 0.73: HG2 LYS 24 + HA ALA 25 OK 67 87 - 78 - 1.8/8595=14, ~1105=12...(21) HD3 LYS 82 + HA ALA 25 OK 16 96 - 17 - 10933/3.0=4, 3705/2.1=2...(8) HG3 LYS 90 - HA ALA 25 poor 10 92 - 11 - 1085/4.8=2, 1094/3.0=2, 8594=1 HG LEU 103 - HA ALA 25 lone 7 96 - 7 - 6401/3.0=2 HB2 LEU 103 - HA ALA 25 lone 7 90 - 7 - 6401/3.0=2 HB3 GLU 28 - HA ALA 25 lone 4 90 - 4 - ~12294=3 HG2 ARG 19 - HA ALA 25 lone 3 90 - 4 - Peak 10473 from cnoeabs.peaks (4.12, 1.34, 18.52 ppm; 4.85 A): 2 out of 4 assignments used, quality = 0.79: HA LYS 24 + QB ALA 25 OK 73 73 - 100 - 4.8=100 HA GLU 62 + QB ALA 25 OK 22 99 - 22 - 10742/2.9=6, 8609/3.6=3...(7) HA GLU 104 - QB ALA 25 lone 7 94 - 8 - 8609/3.6=1 HA GLU 99 - QB ALA 25 lone 6 98 - 6 - 4.1/8625=1 Peak 10474 from cnoeabs.peaks (4.10, 4.41, 51.21 ppm; 5.12 A): 1 out of 3 assignments used, quality = 1.00: HA LYS 24 + HA ALA 25 OK 100 100 - 100 - 4.8=100 HA PRO 86 - HA ALA 25 OK 40 84 - 48 - 3.6/10131=11...(7) HA GLU 62 - HA ALA 25 OK 11 65 - 17 - 10473/2.1=5, 10742/3.0=3...(6) Peak 10475 from cnoeabs.peaks (4.67, 1.34, 18.52 ppm; 5.23 A): 0 out of 2 assignments used, low quality = 0.44: HA LEU 27 - QB ALA 25 OK 44 57 - 76 - 3.0/10476=28, ~8605=26...(13) HA LEU 55 - QB ALA 25 lone 6 100 - 6 - 3.6/9318=1 Peak 10476 from cnoeabs.peaks (8.25, 1.34, 18.52 ppm; 3.84 A): 3 out of 4 assignments used, quality = 0.82: H LEU 27 + QB ALA 25 OK 72 97 - 75 - 6419/3.6=26, 8605/2.1=19...(15) H LYS 94 + QB ALA 25 OK 26 73 - 36 - 3.0/10334=12, 4.3/8621=5...(13) H ALA 71 + QB ALA 25 OK 13 87 - 14 - 3.0/10334=3, 6419/3.6=3 H PHE 45 - QB ALA 25 lone 6 87 - 6 - 4.6/8607=1 Peak 10477 from cnoeabs.peaks (7.71, 4.36, 54.31 ppm; 4.54 A): 2 out of 4 assignments used, quality = 0.84: H ALA 25 + HA ASN 26 OK 66 99 - 66 - 6411/3.0=32...(8) H LEU 64 + HA ASN 26 OK 55 90 - 61 - 9470=11, 6411/3.0=10...(14) H SER 49 - HA ASN 26 lone 6 61 - 9 - 6411/3.0=2, 10489/3.6=1 H SER 85 - HA ASN 26 lone 2 65 - 3 - 9863/9712=1 Peak 10478 from cnoeabs.peaks (4.14, 4.36, 54.31 ppm; 4.36 A): 4 out of 9 assignments used, quality = 0.68: HA GLU 23 + HA ASN 26 OK 28 98 - 29 - 8609/3.0=12, 8637/3.6=10...(5) HA LYS 47 + HA ASN 26 OK 28 100 - 28 - 8609/3.0=8, 8637/3.6=7...(9) HA GLN 72 + HA ASN 26 OK 25 81 - 31 - 8637/3.6=10, 8609/3.0=8...(6) HA GLU 62 + HA ASN 26 OK 18 61 - 30 - 3.0/7002=7, 3.6/9456=5...(8) HA GLU 104 - HA ASN 26 lone 5 81 - 6 - 8609/3.0=2, 8637/3.6=1 HA LYS 13 - HA ASN 26 lone 5 81 - 6 - 8637/3.6=2, 8609/3.0=1 HA MET 1 - HA ASN 26 lone 2 70 - 3 - HB2 SER 59 - HA ASN 26 lone 2 65 - 3 - 8637/3.6=1 HA GLU 99 - HA ASN 26 lone 2 70 - 2 - Peak 10481 from cnoeabs.peaks (3.88, 3.07, 36.97 ppm; 6.03 A): 0 out of 10 assignments used, low quality = 0.14: HA ARG 91 - HB3 ASN 26 OK 14 92 - 15 - 3.0/1178=5, ~1171=4...(4) HA LEU 38 - HB3 ASN 26 lone 8 99 - 8 - 1623/3.8=4, ~8626=1 HA LYS 40 - HB3 ASN 26 lone 6 84 - 7 - 1778/3.8=3, 3.6/1173=1 HA LYS 94 - HB3 ASN 26 lone 6 87 - 7 - 3.7/8630=2 HA GLU 43 - HB3 ASN 26 lone 3 99 - 3 - HA GLU 35 - HB3 ASN 26 lone 3 94 - 3 - HA2 GLY 101 - HB3 ASN 26 lone 2 87 - 3 - HA2 GLY 100 - HB3 ASN 26 lone 2 87 - 3 - HB2 SER 102 - HB3 ASN 26 lone 2 73 - 3 - HA3 GLY 101 - HB3 ASN 26 lone 2 77 - 3 - Peak 10482 from cnoeabs.peaks (1.15, 1.46, 44.09 ppm; 4.95 A): 3 out of 5 assignments used, quality = 0.98: HB3 LEU 3 + HB2 LEU 27 OK 91 100 - 91 - ~10136=20, ~8080=20...(19) HG3 LYS 82 + HB2 LEU 27 OK 55 77 - 72 - 10133/3.1=10...(28) HG2 LYS 40 + HB2 LEU 27 OK 49 99 - 50 - 10134/3.1=7, 10133/3.1=6...(23) HB2 LEU 29 - HB2 LEU 27 OK 42 97 - 43 - 10134/3.1=6, 1.8/1192=5...(17) QG2 THR 31 - HB2 LEU 27 lone 8 87 - 9 - 10133/3.1=2, 10134/3.1=1 Peak 10483 from cnoeabs.peaks (3.83, 1.60, 26.52 ppm; 4.84 A): 3 out of 4 assignments used, quality = 0.95: HA ALA 22 + HG LEU 27 OK 76 100 - 76 - 8641/2.1=18, 8636/3.0=16...(15) HA SER 97 + HG LEU 27 OK 70 84 - 83 - 8641/2.1=21, ~8642=19...(15) HA ALA 71 + HG LEU 27 OK 32 73 - 43 - 8639/3.0=8, 3.0/1204=7...(11) HB3 SER 102 - HG LEU 27 lone 4 61 - 7 - 8641/2.1=2, 8640/2.1=1 Peak 10484 from cnoeabs.peaks (1.86, 0.77, 26.59 ppm; 4.69 A): 6 out of 7 assignments used, quality = 0.93: HB VAL 5 + QD1 LEU 27 OK 60 100 - 60 - ~8634=14, ~8633=13...(16) HB2 LYS 12 + QD1 LEU 27 OK 43 100 - 43 - 3.0/8381=5, 4.8/10392=5...(24) HB3 LYS 12 + QD1 LEU 27 OK 42 99 - 43 - 3.0/8381=5, 4.8/10392=5...(24) HB3 LYS 39 + QD1 LEU 27 OK 20 100 - 20 - 3.0/1223=2, 3.0/1222=1...(6) HB3 LYS 68 + QD1 LEU 27 OK 20 92 - 22 - ~8640=3, 3.0/8641=3...(6) HB3 LYS 66 + QD1 LEU 27 OK 20 100 - 20 - 2897/4.7=4, 4.0/1227=4...(7) HB3 GLU 104 - QD1 LEU 27 lone 3 94 - 4 - 4.0/10043=1 Peak 10485 from cnoeabs.peaks (2.02, 0.77, 26.59 ppm; 5.29 A): 2 out of 7 assignments used, quality = 0.82: HB3 LYS 94 + QD1 LEU 27 OK 62 100 - 63 - 4204/2.1=7, 3.5/1224=6...(23) HG12 ILE 93 + QD1 LEU 27 OK 51 81 - 64 - ~1210=7, 1.8/4160=7...(20) HB2 GLN 50 - QD1 LEU 27 lone 8 100 - 8 - 4.6/9107=2, 2.9/9100=1 HB3 GLU 99 - QD1 LEU 27 lone 6 81 - 8 - 3.9/1227=5 HB3 GLU 17 - QD1 LEU 27 lone 4 70 - 6 - 4.6/8332=2 HB2 GLU 62 - QD1 LEU 27 lone 4 96 - 4 - HB2 GLU 35 - QD1 LEU 27 lone 3 73 - 4 - Peak 10487 from cnoeabs.peaks (5.13, 0.77, 26.59 ppm; 5.44 A): 2 out of 4 assignments used, quality = 0.94: HA LEU 3 + QD1 LEU 27 OK 89 97 - 91 - 3.9/10137=38...(17) HA TYR 4 + QD1 LEU 27 OK 47 96 - 49 - 8123/4.7=15...(11) HA SER 85 - QD1 LEU 27 OK 23 100 - 23 - 3.8/8642=6, 3.8/8642=6...(6) HA ILE 7 - QD1 LEU 27 OK 21 99 - 21 - 10488/2.1=6, 133/10137=3...(5) Peak 10488 from cnoeabs.peaks (5.13, 0.73, 25.25 ppm; 4.64 A): 4 out of 4 assignments used, quality = 0.91: HA LEU 3 + QD2 LEU 27 OK 80 100 - 80 - 3.9/10136=32...(15) HA TYR 4 + QD2 LEU 27 OK 33 84 - 39 - 8123/4.7=9, 10487/2.1=7...(12) HA ILE 7 + QD2 LEU 27 OK 18 100 - 18 - 125/10136=3, 10487/2.1=3...(7) HA SER 85 + QD2 LEU 27 OK 17 98 - 17 - 3.8/8643=4, 3.8/8643=4...(4) Peak 10490 from cnoeabs.peaks (8.93, 1.56, 30.51 ppm; 4.96 A): 2 out of 2 assignments used, quality = 0.66: H VAL 5 + HB3 GLU 28 OK 59 92 - 64 - 8650/4.0=21, 3.6/8657=20...(8) H LEU 57 + HB3 GLU 28 OK 18 100 - 18 - 10685/4.6=6, 8650/4.0=6...(4) Peak 10491 from cnoeabs.peaks (5.68, 4.31, 55.46 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.62: HA LEU 29 + HA GLU 28 OK 62 81 - 77 - 2.9/1234=38, 2.9/8662=20...(9) Peak 10496 from cnoeabs.peaks (0.74, 1.16, 44.91 ppm; 4.88 A): 5 out of 10 assignments used, quality = 0.94: QG1 VAL 5 + HB2 LEU 29 OK 61 65 - 94 - ~8173=27, ~8175=24...(21) HG13 ILE 15 + HB2 LEU 29 OK 41 92 - 45 - ~8469=10, ~10501=5...(14) QG1 VAL 54 + HB2 LEU 29 OK 40 70 - 57 - 2.1/1277=8, ~2490=7...(18) QD1 ILE 15 + HB2 LEU 29 OK 35 77 - 45 - 8469/3.1=9, ~10501=6...(14) QD2 LEU 27 + HB2 LEU 29 OK 32 77 - 41 - 2.1/10134=6, 8667/2.9=5...(14) HG3 ARG 81 - HB2 LEU 29 OK 26 99 - 26 - 2.9/10498=8, ~8666=5...(6) QG2 ILE 93 - HB2 LEU 29 OK 22 98 - 23 - 10322/10498=4...(9) QG1 VAL 78 - HB2 LEU 29 OK 22 100 - 22 - 10497/1.8=3, ~8174=3...(8) HG13 ILE 93 - HB2 LEU 29 OK 18 100 - 19 - 10018/10498=3, ~10327=2...(7) QD1 LEU 64 - HB2 LEU 29 lone 4 100 - 4 - Peak 10497 from cnoeabs.peaks (0.74, 1.60, 44.91 ppm; 4.98 A): 5 out of 10 assignments used, quality = 0.94: QG1 VAL 5 + HB3 LEU 29 OK 61 65 - 93 - ~8173=29, ~8175=25...(20) HG13 ILE 15 + HB3 LEU 29 OK 41 92 - 45 - ~8469=10, ~8467=6...(12) QG1 VAL 54 + HB3 LEU 29 OK 40 70 - 58 - 2.1/1285=8, ~2490=7...(18) QD2 LEU 27 + HB3 LEU 29 OK 35 77 - 46 - ~10134=5, 8667/2.9=5...(16) QD1 ILE 15 + HB3 LEU 29 OK 33 77 - 43 - 8469/3.1=10, ~10501=6...(12) HG3 ARG 81 - HB3 LEU 29 OK 24 99 - 24 - ~10498=6, ~8666=6...(5) QG2 ILE 93 - HB3 LEU 29 OK 23 98 - 24 - 10496/1.8=3, 10326/3.0=2...(10) QG1 VAL 78 - HB3 LEU 29 OK 23 100 - 23 - 10496/1.8=3, ~8174=3...(7) HG13 ILE 93 - HB3 LEU 29 OK 15 100 - 15 - 10496/1.8=3, ~10327=3...(6) QD1 LEU 64 - HB3 LEU 29 lone 5 100 - 5 - Peak 10498 from cnoeabs.peaks (0.94, 1.16, 44.91 ppm; 5.94 A): 2 out of 2 assignments used, quality = 0.97: QG2 VAL 5 + HB2 LEU 29 OK 94 96 - 99 - 8175/2.9=42...(21) HB2 ARG 81 + HB2 LEU 29 OK 42 98 - 43 - 8666/2.9=13, 10500/3.1=9...(11) Peak 10499 from cnoeabs.peaks (1.74, 0.65, 26.64 ppm; 4.66 A): 5 out of 6 assignments used, quality = 0.94: HG3 ARG 19 + QD1 LEU 29 OK 67 73 - 91 - 1.8/8518=27, 4.0/8688=20...(28) HB2 GLU 28 + QD1 LEU 29 OK 49 100 - 49 - 6463/4.8=15, ~8662=9...(10) HB ILE 15 + QD1 LEU 29 OK 46 77 - 60 - 3.0/8689=24, ~8459=10...(15) HD2 LYS 90 + QD1 LEU 29 OK 23 99 - 23 - 6463/4.8=3, ~10285=2...(9) HD2 ARG 81 + QD1 LEU 29 OK 10 61 - 17 - 3.4/10500=7, ~10498=4...(5) HB ILE 56 - QD1 LEU 29 poor 6 61 - 10 - ~9326=1, 2.9/10141=1...(5) Peak 10500 from cnoeabs.peaks (0.94, 0.65, 26.64 ppm; 3.82 A): 2 out of 2 assignments used, quality = 0.77: QG2 VAL 5 + QD1 LEU 29 OK 73 99 - 73 - 8175/4.1=18, 2.1/8192=14...(19) HB2 ARG 81 + QD1 LEU 29 OK 16 92 - 17 - 8666/4.1=5, 10498/3.1=4...(5) Peak 10501 from cnoeabs.peaks (0.80, 0.64, 24.70 ppm; 2.99 A): 3 out of 9 assignments used, quality = 0.62: QG2 ILE 7 + QD2 LEU 29 OK 33 100 - 34 - 4.0/1295=4, 253/2.1=4...(13) QG2 ILE 15 + QD2 LEU 29 OK 26 81 - 32 - 3.2/8459=6, ~8689=6...(11) QD1 ILE 76 + QD2 LEU 29 OK 24 99 - 24 - 2.1/1299=4, 3454/2.1=3...(8) QG2 ILE 8 - QD2 LEU 29 lone 5 94 - 6 - QD2 LEU 57 - QD2 LEU 29 lone 5 100 - 5 - QD2 LEU 2 - QD2 LEU 29 lone 3 84 - 3 - QG2 ILE 52 - QD2 LEU 29 lone 2 70 - 3 - 4.3/1295=1 QD2 LEU 70 - QD2 LEU 29 lone 2 87 - 2 - QD1 LEU 70 - QD2 LEU 29 lone 1 57 - 2 - Peak 10502 from cnoeabs.peaks (3.81, 1.44, 27.00 ppm; 5.06 A): 4 out of 10 assignments used, quality = 0.99: HA ARG 19 + HG LEU 29 OK 89 100 - 89 - 8685/2.1=22, 8688/2.1=21...(22) HA ALA 22 + HG LEU 29 OK 64 73 - 88 - ~8577=22, ~8692=22...(16) HA LYS 68 + HG LEU 29 OK 53 99 - 53 - 8685/2.1=10, 8688/2.1=10...(13) HA ARG 19 + HG13 ILE 76 OK 50 84 - 59 - ~3456=10, ~3440=9...(19) HA LYS 68 - HG13 ILE 76 OK 16 82 - 19 - 3.0/10284=2, 787=1...(5) HA SER 97 - HG LEU 29 OK 15 98 - 15 - 8679/3.0=3, 8677/3.0=2...(5) HA ALA 22 - HG13 ILE 76 OK 14 55 - 25 - 9648/3.0=5, 8590/4.5=3...(9) HB3 SER 102 - HG LEU 29 OK 11 100 - 11 - 8688/2.1=3, 8685/2.1=2...(4) HA SER 97 - HG13 ILE 76 lone 4 80 - 5 - HB3 SER 102 - HG13 ILE 76 lone 3 85 - 3 - Peak 10503 from cnoeabs.peaks (8.29, 0.65, 26.64 ppm; 5.93 A): 2 out of 2 assignments used, quality = 0.59: H GLU 23 + QD1 LEU 29 OK 42 84 - 50 - 4.7/8690=29, 3.6/8580=15...(6) H LEU 103 + QD1 LEU 29 OK 29 100 - 29 - ~8678=7, ~8676=7...(8) Peak 10504 from cnoeabs.peaks (8.65, 0.65, 26.64 ppm; 5.64 A): 3 out of 3 assignments used, quality = 0.92: H ALA 18 + QD1 LEU 29 OK 84 99 - 85 - 2.9/8672=48, 4.7/8691=21...(11) H LEU 55 + QD1 LEU 29 OK 45 81 - 55 - 3.6/2484=12, 4.6/6897=11...(11) H ASN 10 + QD1 LEU 29 OK 10 94 - 11 - 8161/8183=1, 773/8672=1 Peak 10506 from cnoeabs.peaks (7.79, 2.67, 42.61 ppm; 4.61 A): 1 out of 6 assignments used, quality = 0.99: HE ARG 30 + HD2 ARG 30 OK 99 99 - 100 - 2.9=100 H SER 9 - HD2 ARG 30 OK 15 65 - 23 - 8338/5.2=9, 10508/3.0=4...(5) H GLU 28 - HD2 ARG 30 OK 11 99 - 11 - 10507/1.8=5, 10508/3.0=2...(4) H LYS 66 - HD2 ARG 30 lone 8 94 - 9 - 10507/1.8=2, 7073/3.6=1 H LYS 20 - HD2 ARG 30 lone 6 100 - 6 - 10507/1.8=2, ~844=1 H GLU 99 - HD2 ARG 30 lone 3 100 - 3 - 10507/1.8=1 Peak 10507 from cnoeabs.peaks (7.79, 3.08, 42.61 ppm; 4.79 A): 1 out of 6 assignments used, quality = 0.99: HE ARG 30 + HD3 ARG 30 OK 99 99 - 100 - 2.9=100 H GLU 28 - HD3 ARG 30 OK 20 99 - 20 - 4.7/10139=5, 4.7/10138=5...(6) H SER 9 - HD3 ARG 30 OK 17 65 - 25 - 8338/5.2=10, 10508/3.0=5...(5) H LYS 66 - HD3 ARG 30 poor 10 94 - 10 - 10506/1.8=2, 7073/3.6=1 H LYS 20 - HD3 ARG 30 lone 7 100 - 7 - 10506/1.8=2, ~844=1 H GLU 99 - HD3 ARG 30 lone 4 100 - 4 - Peak 10508 from cnoeabs.peaks (7.81, 1.29, 26.44 ppm; 5.31 A): 4 out of 5 assignments used, quality = 0.77: H SER 9 + HG2 ARG 30 OK 53 100 - 53 - 8338/3.9=33, 8315/1.8=9...(7) H TYR 41 + HG2 ARG 30 OK 27 90 - 30 - 7.4/8703=7, 7.4/8703=6...(7) H GLU 28 + HG2 ARG 30 OK 26 81 - 32 - 4.5/8665=9, 5.0/10511=6...(8) H LYS 66 + HG2 ARG 30 OK 11 92 - 12 - 7073/2.9=2, 4.7/1346=1 H GLU 99 - HG2 ARG 30 lone 3 65 - 5 - Peak 10509 from cnoeabs.peaks (7.83, 1.60, 32.55 ppm; 6.13 A): 5 out of 5 assignments used, quality = 0.72: H TYR 41 + HB2 ARG 30 OK 32 97 - 33 - 5.4/8697=7, 7.4/8697=7...(8) H LEU 3 + HB2 ARG 30 OK 29 81 - 36 - 5.0/1324=6, 6027/2.9=6...(8) H SER 9 + HB2 ARG 30 OK 23 61 - 38 - 8338/3.0=19, 10508/2.9=8...(5) H LYS 73 + HB2 ARG 30 OK 14 90 - 16 - 9576/1.8=3, 4.6/10845=2...(5) H ASN 26 + HB2 ARG 30 OK 11 92 - 12 - 4.6/6442=2, 8618=2 Peak 10511 from cnoeabs.peaks (2.06, 1.29, 26.44 ppm; 5.74 A): 0 out of 10 assignments used, low quality = 0.37: HG2 GLU 28 - HG2 ARG 30 OK 21 100 - 21 - 5.0/8665=10, 5.0/10508=6 HG3 GLU 28 - HG2 ARG 30 OK 21 100 - 21 - 5.0/8665=10, 5.0/10508=6 HB3 GLU 43 - HG2 ARG 30 lone 9 100 - 9 - 4.0/6688=5 HB2 MET 21 - HG2 ARG 30 lone 6 81 - 8 - 4.0/8561=3, ~8565=1, 8549/3915=1 HB3 LEU 38 - HG2 ARG 30 lone 5 96 - 5 - HB3 GLU 88 - HG2 ARG 30 lone 4 84 - 4 - HB3 GLU 35 - HG2 ARG 30 lone 3 73 - 4 - HB2 MET 74 - HG2 ARG 30 lone 3 100 - 3 - HB3 GLU 48 - HG2 ARG 30 lone 2 70 - 3 - HB2 GLU 16 - HG2 ARG 30 lone 2 90 - 2 - Peak 10515 from cnoeabs.peaks (7.81, 1.14, 22.10 ppm; 5.31 A): 3 out of 5 assignments used, quality = 0.80: H SER 9 + QG2 THR 31 OK 73 100 - 74 - 8337/2.1=30, 8314=26...(10) H LYS 66 + QG2 THR 31 OK 14 92 - 15 - 7077/4.0=6, 7077/4.0=2 H TYR 41 + QG2 THR 31 OK 13 90 - 15 - 10516/4.0=3, 8249/8280=2...(4) H GLU 28 - QG2 THR 31 lone 8 81 - 9 - 4.7/10133=1, 4.7/10134=1 H GLU 99 - QG2 THR 31 lone 2 65 - 3 - Peak 10518 from cnoeabs.peaks (0.71, 1.94, 34.49 ppm; 4.02 A): 5 out of 8 assignments used, quality = 0.85: QD1 ILE 8 + HB VAL 32 OK 55 98 - 56 - 4.1/12055=15...(8) HG13 ILE 56 + HB VAL 32 OK 28 100 - 29 - ~10674=6, 9313/4.4=6...(8) QD2 LEU 14 + HB VAL 32 OK 27 97 - 28 - ~8942=6, 2.1/10338=5...(8) QD1 ILE 56 + HB VAL 32 OK 26 96 - 27 - ~10674=7, 12200=5...(7) QG1 VAL 5 + HB VAL 32 OK 13 90 - 14 - 4.1/1400=9, 178/4.4=3 QG1 VAL 58 - HB VAL 32 lone 10 99 - 10 - ~8942=2, 10514/3.9=1 QG2 VAL 78 - HB VAL 32 lone 6 98 - 6 - 178/4.4=2, 10514/3.9=1 QD2 LEU 27 - HB VAL 32 lone 4 81 - 5 - 4.7/10153=1 Peak 10519 from cnoeabs.peaks (0.91, 4.53, 56.85 ppm; 4.23 A): 2 out of 2 assignments used, quality = 0.82: QG1 VAL 32 + HA LYS 33 OK 80 100 - 80 - 8749/3.6=30, 6517/3.0=30...(10) HG13 ILE 7 + HA LYS 33 OK 12 77 - 16 - 6517/3.0=7, 8749/3.6=4...(4) Peak 10522 from cnoeabs.peaks (1.17, 1.55, 24.85 ppm; 4.33 A): 3 out of 5 assignments used, quality = 0.80: QG2 THR 34 + HG2 LYS 33 OK 72 97 - 74 - 1522/4.9=18, 8757/2.8=17...(10) HB2 LEU 6 + HG2 LYS 33 OK 20 87 - 23 - 4.0/1446=7, 193/4.9=6...(5) HB3 LEU 3 + HG2 LYS 33 OK 13 65 - 19 - 3.0/94=2, ~1461=2...(12) HB2 LEU 29 - HG2 LYS 33 lone 9 96 - 9 - 8745/4.9=2, 3.1/10141=2...(4) HG2 LYS 40 - HG2 LYS 33 lone 7 92 - 7 - 8745/4.9=3, 6542/4.9=1 Peak 10523 from cnoeabs.peaks (-0.17, 1.72, 28.64 ppm; 5.69 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10524 from cnoeabs.peaks (8.19, 4.59, 73.02 ppm; 3.59 A): 2 out of 3 assignments used, quality = 0.69: H ASP 36 + HB THR 34 OK 63 100 - 63 - 8794=25, 8782/2.1=23...(7) H GLU 43 + HB THR 34 OK 16 98 - 16 - 8767/2.1=6, 6554/4.4=5...(5) H LYS 68 - HB THR 34 lone 6 100 - 6 - 8767/2.1=2, 6554/4.4=1 Peak 10525 from cnoeabs.peaks (7.74, 4.59, 73.02 ppm; 5.10 A): 2 out of 5 assignments used, quality = 0.84: H GLU 37 + HB THR 34 OK 79 100 - 79 - 8830/2.1=29, 8805/4.0=26...(9) H MET 74 + HB THR 34 OK 21 98 - 22 - 8766/2.1=7, 8770/4.0=6...(4) H ASN 60 - HB THR 34 lone 7 92 - 8 - 8766/2.1=3, 8770/4.0=2 H VAL 78 - HB THR 34 lone 7 81 - 8 - 8770/4.0=3, 8766/2.1=2 H SER 49 - HB THR 34 lone 3 77 - 4 - 8766/2.1=1, 8770/4.0=1 Peak 10526 from cnoeabs.peaks (0.81, 2.19, 36.31 ppm; 3.29 A): 13 out of 33 assignments used, quality = 0.93: QD2 LEU 38 + HG2 GLU 43 OK 37 90 - 42 - 10606/1.8=6, ~10549=4...(18) QD2 LEU 2 + HG2 GLU 43 OK 28 100 - 28 - ~8055=7, 10606/1.8=6...(8) QD2 LEU 2 + HG2 GLU 35 OK 18 70 - 26 - 8057/2.9=4, 8058=3...(10) QD2 LEU 2 + HG3 GLU 35 OK 18 70 - 26 - 8057/2.9=4, 8058=3...(10) QD1 LEU 70 + HG2 GLU 35 OK 17 69 - 25 - ~10278=3, 9549/2.9=3...(10) QD1 LEU 70 + HG3 GLU 35 OK 17 69 - 25 - ~10278=3, 9549/2.9=3...(10) QD2 LEU 70 + HG3 GLU 35 OK 16 69 - 24 - 10278/2.9=6, 2.1/9548=3...(9) QD2 LEU 70 + HG2 GLU 35 OK 16 69 - 24 - 10278/2.9=6, 2.1/9548=3...(9) QD2 LEU 70 + HG2 GLU 43 OK 15 99 - 15 - 10606/1.8=3, 10608/3.0=3...(6) QD1 LEU 70 + HG2 GLU 43 OK 14 99 - 14 - 10606/1.8=2, ~10606=2...(5) QD1 ILE 76 + HG2 GLU 43 OK 13 90 - 15 - 10608/3.0=3, 10606/1.8=3...(5) QD2 LEU 38 + HG3 GLU 35 OK 12 57 - 21 - 10420/2.9=2, 10167/4.1=2...(11) QD2 LEU 38 + HG2 GLU 35 OK 12 57 - 21 - 10420/2.9=2, 10167/4.1=2...(11) QD1 ILE 76 - HG3 GLU 35 lone 4 57 - 8 - QD1 ILE 76 - HG2 GLU 35 lone 4 57 - 8 - QG2 ILE 15 - HG2 GLU 43 lone 4 100 - 4 - 10606/1.8=1, 10608/3.0=1 QG2 ILE 7 - HG2 GLU 43 lone 4 84 - 4 - QD1 LEU 57 - HG3 GLU 35 lone 3 44 - 6 - 10698/4.1=1 QD1 LEU 57 - HG2 GLU 35 lone 3 44 - 6 - 10698/4.1=1 QD2 LEU 57 - HG2 GLU 43 lone 2 73 - 3 - QD2 LEU 57 - HG2 GLU 35 lone 2 44 - 5 - QD2 LEU 57 - HG3 GLU 35 lone 2 44 - 5 - QD1 LEU 57 - HG2 GLU 43 lone 2 73 - 3 - QG2 ILE 15 - HG3 GLU 35 lone 2 70 - 3 - QG2 ILE 15 - HG2 GLU 35 lone 2 70 - 3 - QG2 VAL 32 - HG2 GLU 35 lone 2 33 - 5 - 8775/4.9=1, ~10158=1 QG2 VAL 32 - HG3 GLU 35 lone 2 33 - 5 - 8775/4.9=1, ~10158=1 QD2 LEU 103 - HG2 GLU 43 lone 1 77 - 2 - QG2 ILE 7 - HG2 GLU 35 lone 1 52 - 3 - QG2 ILE 7 - HG3 GLU 35 lone 1 52 - 3 - QD2 LEU 103 - HG3 GLU 35 lone 1 47 - 2 - QD2 LEU 103 - HG2 GLU 35 lone 1 47 - 2 - QG2 VAL 32 - HG2 GLU 43 lone 1 57 - 2 - Peak 10527 from cnoeabs.peaks (0.80, 2.08, 29.38 ppm; 3.95 A): 6 out of 27 assignments used, quality = 0.78: QD2 LEU 70 + HB3 GLU 35 OK 32 92 - 36 - 10278=10, ~9549=4...(17) QD2 LEU 2 + HB3 GLU 35 OK 26 90 - 29 - 8057/1.8=6, ~8053=4...(9) QG2 ILE 15 + HB2 GLU 16 OK 21 66 - 32 - 10122/3.0=11...(8) QD1 ILE 76 + HB2 GLU 16 OK 20 82 - 24 - 9630/4.0=5, 8530/3.0=4...(8) QD1 LEU 70 + HB3 GLU 35 OK 19 65 - 30 - 2.1/10278=8, 9549/1.8=3...(14) QD2 LEU 57 + HB3 GLU 35 OK 13 100 - 13 - 10697/3.0=3, ~10698=3...(4) QD1 ILE 76 - HB3 GLU 35 lone 10 100 - 10 - QG2 ILE 8 - HB2 GLU 16 lone 6 68 - 9 - 8310/3.0=2, 10421/1.8=1...(4) QG2 ILE 8 - HB3 GLU 35 lone 6 90 - 7 - QD1 ILE 76 - HB2 GLU 23 lone 6 72 - 8 - 10887/4.0=2, 3449/4.6=2 QG2 ILE 15 - HB3 GLU 35 lone 5 87 - 6 - 4.4/6237=2 QG2 ILE 52 - HB2 GLU 16 poor 5 44 - 11 - 10421/1.8=2 QD2 LEU 70 - HB2 GLU 16 lone 5 71 - 6 - 10278=1, 6232/4.0=1, 8530/3.0=1 QG2 ILE 7 - HB2 GLU 16 lone 4 83 - 5 - 8530/3.0=2, 6232/4.0=2 QD2 LEU 2 - HB2 GLU 16 lone 4 68 - 6 - ~8055=1, 6232/4.0=1 QG2 ILE 15 - HB2 GLU 23 lone 3 57 - 6 - 4.4/6237=4 QG2 ILE 7 - HB3 GLU 35 lone 3 100 - 3 - QG2 ILE 52 - HB3 GLU 35 lone 3 61 - 5 - QD1 LEU 70 - HB2 GLU 16 lone 3 47 - 6 - 6232/4.0=1, 2.1/10278=1 QD2 LEU 57 - HB2 GLU 16 lone 3 82 - 3 - QD2 LEU 57 - HB2 GLU 23 lone 2 72 - 3 - QD2 LEU 2 - HB2 GLU 23 lone 2 59 - 4 - QD2 LEU 70 - HB2 GLU 23 lone 2 61 - 3 - 10278=1 QG2 ILE 52 - HB2 GLU 23 lone 1 37 - 4 - QG2 ILE 7 - HB2 GLU 23 lone 1 73 - 2 - QG2 ILE 8 - HB2 GLU 23 lone 1 59 - 2 - QD1 LEU 70 - HB2 GLU 23 lone 1 40 - 3 - Peak 10528 from cnoeabs.peaks (2.88, 2.20, 36.41 ppm; 3.92 A): 9 out of 15 assignments used, quality = 0.82: HE3 LYS 39 + HG2 GLU 35 OK 23 97 - 24 - 3.5/10575=5, 3.0/10578=5...(7) HE3 LYS 39 + HG3 GLU 35 OK 23 97 - 24 - 3.5/10575=5, 3.0/10578=5...(7) HE2 LYS 39 + HG2 GLU 35 OK 20 84 - 24 - 3.5/10575=5, 3.0/10578=5...(7) HE2 LYS 39 + HG3 GLU 35 OK 20 84 - 24 - 3.5/10575=5, 3.0/10578=5...(7) HE2 LYS 66 + HG3 GLU 35 OK 16 90 - 19 - 2.9/12308=5, ~12308=3...(7) HE2 LYS 66 + HG2 GLU 35 OK 16 90 - 19 - 2.9/12308=5, ~12308=3...(7) HE3 LYS 66 + HG2 GLU 35 OK 12 70 - 18 - 2.9/12308=5, ~12308=3...(7) HE3 LYS 66 + HG3 GLU 35 OK 12 70 - 18 - 2.9/12308=5, ~12308=3...(7) HE3 LYS 39 + HG2 GLU 43 OK 11 65 - 17 - 3.0/10578=4, 3.5/10575=3...(7) HE2 LYS 39 - HG2 GLU 43 poor 9 52 - 17 - 3.0/10578=4, 3.5/10575=3...(7) HB2 ASN 60 - HG3 GLU 35 lone 3 96 - 3 - 4.0/9413=1 HB2 ASN 60 - HG2 GLU 35 lone 3 96 - 3 - 4.0/9413=1 HE2 LYS 66 - HG2 GLU 43 lone 2 57 - 3 - HB2 ASN 60 - HG2 GLU 43 lone 1 63 - 2 - 4.0/9413=1 HE3 LYS 66 - HG2 GLU 43 lone 1 42 - 2 - Peak 10529 from cnoeabs.peaks (2.92, 2.12, 29.31 ppm; 5.04 A): 0 out of 18 assignments used, low quality = 0.41: HE2 LYS 68 - HB2 GLU 69 OK 14 63 - 22 - ~10794=9, 7130/4.0=4...(6) HE2 LYS 68 - HB3 GLU 69 OK 14 63 - 22 - ~10794=9, 7130/4.0=4...(6) HE3 LYS 68 - HB2 GLU 69 OK 11 57 - 19 - ~10794=9, 7130/4.0=4...(4) HE3 LYS 68 - HB3 GLU 69 OK 11 57 - 19 - ~10794=9, 7130/4.0=4...(4) HE2 LYS 94 - HB2 GLU 69 lone 4 85 - 5 - 7130/4.0=1 HE2 LYS 94 - HB3 GLU 69 lone 4 85 - 5 - 7130/4.0=1 HE3 LYS 20 - HB2 GLU 69 lone 4 72 - 5 - 7130/4.0=1 HE3 LYS 20 - HB3 GLU 69 lone 4 72 - 5 - 7130/4.0=1 HE2 LYS 20 - HB2 GLU 69 lone 4 69 - 5 - 7130/4.0=1 HE2 LYS 20 - HB3 GLU 69 lone 4 69 - 5 - 7130/4.0=1 HE3 LYS 94 - HB3 GLU 69 lone 3 66 - 5 - 7130/4.0=1 HE3 LYS 94 - HB2 GLU 69 lone 3 66 - 5 - 7130/4.0=1 HB2 ASN 10 - HB2 GLU 69 lone 3 85 - 3 - 12281/3.0=1 HB2 ASN 10 - HB3 GLU 69 lone 3 85 - 3 - 12281/3.0=1 HE3 LYS 90 - HB2 GLU 69 lone 2 69 - 3 - HE3 LYS 90 - HB3 GLU 69 lone 2 69 - 3 - HG2 MET 21 - HB2 GLU 69 lone 1 57 - 2 - HG2 MET 21 - HB3 GLU 69 lone 1 57 - 2 - Peak 10530 from cnoeabs.peaks (2.91, 2.07, 29.31 ppm; 4.86 A): 6 out of 30 assignments used, quality = 0.68: HE2 LYS 20 + HB2 GLU 16 OK 23 96 - 24 - 10234/3.0=3, 6.3/697=2...(14) HE3 LYS 20 + HB2 GLU 16 OK 23 96 - 24 - 10234/3.0=3, 6.3/697=2...(14) HE3 LYS 66 + HB3 GLU 35 OK 18 72 - 25 - 3.6/12156=4, 3.6/12156=4...(7) HE2 LYS 66 + HB3 GLU 35 OK 14 57 - 25 - 3.6/12158=4, 3.6/12158=4...(8) HE3 LYS 94 + HB3 GLU 35 OK 13 79 - 16 - ~4244=2, ~4233=2...(8) HE3 LYS 94 + HB3 GLU 43 OK 12 64 - 19 - ~4243=2, ~4232=2...(11) HE2 LYS 94 - HB3 GLU 35 poor 10 65 - 15 - ~4244=2, ~4233=2...(8) HE2 LYS 94 - HB3 GLU 43 poor 9 52 - 18 - ~4243=2, ~4232=2...(10) HE2 LYS 20 - HB3 GLU 35 lone 7 78 - 8 - HE3 LYS 20 - HB3 GLU 35 lone 7 77 - 8 - HE3 LYS 68 - HB3 GLU 35 lone 6 79 - 8 - 3076/4.7=2 HE2 LYS 20 - HB3 GLU 43 lone 6 63 - 9 - ~10603=1 HE2 LYS 68 - HB3 GLU 35 lone 6 79 - 7 - 3076/4.7=2 HE3 LYS 20 - HB3 GLU 43 lone 6 62 - 9 - ~10603=1 HE3 LYS 68 - HB3 GLU 43 lone 5 64 - 8 - 3076/4.0=1 HE2 LYS 68 - HB3 GLU 43 lone 5 64 - 8 - 3076/4.0=1 HB2 ASN 10 - HB3 GLU 43 poor 5 32 - 14 - ~1968=4, ~1990=3...(5) HE3 LYS 94 - HB2 GLU 16 lone 4 97 - 4 - HE3 LYS 68 - HB2 GLU 16 lone 4 97 - 4 - HE2 LYS 68 - HB2 GLU 16 lone 4 97 - 4 - HE3 LYS 66 - HB2 GLU 16 lone 4 91 - 4 - HE3 LYS 66 - HB3 GLU 43 lone 3 57 - 6 - HE2 LYS 94 - HB2 GLU 16 lone 3 84 - 4 - HE2 LYS 66 - HB2 GLU 16 lone 3 75 - 4 - HB2 ASN 60 - HB2 GLU 16 lone 3 64 - 5 - 10234/3.0=2 HE2 LYS 66 - HB3 GLU 43 lone 3 45 - 6 - HB2 ASN 10 - HB2 GLU 16 lone 2 56 - 3 - 10617/701=1 HB2 ASN 60 - HB3 GLU 35 lone 1 48 - 3 - HB2 ASN 10 - HB3 GLU 35 lone 1 42 - 2 - HB2 ASN 60 - HB3 GLU 43 lone 1 37 - 1 - Peak 10531 from cnoeabs.peaks (1.33, 2.19, 36.31 ppm; 4.39 A): 10 out of 24 assignments used, quality = 0.92: HB3 LEU 2 + HG2 GLU 43 OK 34 99 - 34 - ~8055=10, 10605/1.8=8...(7) HG2 LYS 39 + HG2 GLU 43 OK 27 73 - 36 - 10605/1.8=7, 3.0/10578=6...(9) HG2 LYS 94 + HG2 GLU 43 OK 25 92 - 28 - 10605/1.8=6, 4.9/11007=3...(12) HG2 LYS 39 + HG3 GLU 35 OK 25 44 - 56 - 3.0/10578=7, 1.8/10575=7...(19) HG2 LYS 39 + HG2 GLU 35 OK 25 44 - 56 - 3.0/10578=7, 1.8/10575=7...(19) HB3 LEU 2 + HG3 GLU 35 OK 22 69 - 32 - 3.1/8058=5, ~8054=4...(12) HB3 LEU 2 + HG2 GLU 35 OK 22 69 - 32 - 3.1/8058=5, ~8054=4...(12) QB ALA 67 + HG2 GLU 43 OK 14 96 - 14 - 10605/1.8=4, 2985/5.0=3 HG2 LYS 94 + HG3 GLU 35 OK 12 59 - 20 - 4211/2.9=2, 4.9/11007=2...(7) HG2 LYS 94 + HG2 GLU 35 OK 12 59 - 20 - 4211/2.9=2, 4.9/11007=2...(7) QB ALA 89 - HG2 GLU 43 lone 7 92 - 8 - 10605/1.8=2 QB ALA 89 - HG3 GLU 35 lone 6 59 - 9 - 9933/2.9=2, ~7403=1 QB ALA 89 - HG2 GLU 35 lone 6 59 - 9 - 9933/2.9=2, ~7403=1 QB ALA 67 - HG3 GLU 35 lone 4 63 - 6 - QB ALA 67 - HG2 GLU 35 lone 4 63 - 6 - QB ALA 25 - HG2 GLU 43 lone 4 92 - 4 - 10605/1.8=1 HB3 LEU 27 - HG2 GLU 43 lone 4 77 - 5 - 10605/1.8=1 HB2 LYS 82 - HG2 GLU 43 lone 3 81 - 4 - 10605/1.8=1 QB ALA 25 - HG3 GLU 35 lone 2 59 - 4 - QB ALA 25 - HG2 GLU 35 lone 2 59 - 4 - HB3 LEU 27 - HG2 GLU 35 lone 2 47 - 4 - HB3 LEU 27 - HG3 GLU 35 lone 2 47 - 4 - HB2 LYS 82 - HG3 GLU 35 lone 2 50 - 3 - HB2 LYS 82 - HG2 GLU 35 lone 2 50 - 3 - Peak 10532 from cnoeabs.peaks (1.45, 2.19, 36.31 ppm; 3.83 A): 5 out of 51 assignments used, quality = 0.93: HB2 LEU 38 + HG2 GLU 43 OK 63 100 - 63 - 1629/3.0=7, ~1987=6...(26) HG LEU 38 + HG2 GLU 43 OK 50 97 - 52 - ~10549=6, ~10606=6...(18) HG3 LYS 39 + HG2 GLU 43 OK 28 90 - 31 - 3.0/10578=5, ~10572=4...(9) HG3 LYS 39 + HG2 GLU 35 OK 27 57 - 48 - 3.0/10578=6, 3.0/10576=5...(19) HG3 LYS 39 + HG3 GLU 35 OK 27 57 - 48 - 3.0/10578=6, 3.0/10576=5...(19) HB2 LEU 38 - HG3 GLU 35 OK 23 70 - 33 - 1629/2.9=4, 1627/4.1=2...(18) HB2 LEU 38 - HG2 GLU 35 OK 23 70 - 33 - 1629/2.9=4, 1627/4.1=2...(18) HG LEU 38 - HG2 GLU 35 OK 17 65 - 26 - 10462/2.9=3, ~1661=2...(13) HG LEU 38 - HG3 GLU 35 OK 17 65 - 26 - 10462/2.9=3, ~1661=2...(13) HG13 ILE 52 - HG2 GLU 43 OK 14 99 - 14 - ~10607=3, ~10603=2...(5) HG13 ILE 76 - HG2 GLU 43 OK 11 73 - 16 - 1.8/9663=3, ~10608=3...(7) HG3 ARG 91 - HG2 GLU 43 lone 9 100 - 9 - 4054/3.7=1, ~10603=1 HG3 ARG 91 - HG2 GLU 35 poor 8 71 - 12 - 10462/2.9=2, 4054/4.1=2...(4) HG3 ARG 91 - HG3 GLU 35 poor 8 71 - 12 - 10462/2.9=2, 4054/4.1=2...(4) HG2 LYS 20 - HG2 GLU 43 lone 8 99 - 8 - ~10603=1 HD2 LYS 40 - HG2 GLU 43 lone 8 87 - 9 - 3.5/10533=2, ~10603=2...(4) HD3 LYS 40 - HG2 GLU 43 lone 7 84 - 9 - 3.5/10533=2, ~10603=2...(4) HG13 ILE 76 - HG2 GLU 35 lone 4 44 - 9 - 1.8/9663=1, ~9663=1 HG13 ILE 76 - HG3 GLU 35 lone 4 44 - 9 - 1.8/9663=1, ~9663=1 HG13 ILE 52 - HG3 GLU 35 lone 4 68 - 5 - HG13 ILE 52 - HG2 GLU 35 lone 4 68 - 5 - HB2 LEU 27 - HG2 GLU 43 lone 3 99 - 3 - HG2 LYS 20 - HG2 GLU 35 lone 3 68 - 4 - HG2 LYS 20 - HG3 GLU 35 lone 3 68 - 4 - HD2 LYS 40 - HG3 GLU 35 lone 2 55 - 5 - HD2 LYS 40 - HG2 GLU 35 lone 2 55 - 5 - HD3 LYS 40 - HG3 GLU 35 lone 2 52 - 4 - HD3 LYS 40 - HG2 GLU 35 lone 2 52 - 4 - HD2 LYS 82 - HG2 GLU 43 lone 2 97 - 2 - HB2 LEU 27 - HG3 GLU 35 lone 2 68 - 3 - HB2 LEU 27 - HG2 GLU 35 lone 2 68 - 3 - HG2 LYS 12 - HG2 GLU 43 lone 2 97 - 2 - HG2 LYS 12 - HG2 GLU 35 lone 2 65 - 3 - HG2 LYS 12 - HG3 GLU 35 lone 2 65 - 3 - HD2 LYS 53 - HG2 GLU 43 lone 2 97 - 2 - HG2 LYS 53 - HG2 GLU 43 lone 2 90 - 2 - HD2 LYS 53 - HG3 GLU 35 lone 1 65 - 2 - HD2 LYS 53 - HG2 GLU 35 lone 1 65 - 2 - HD2 LYS 82 - HG3 GLU 35 lone 1 65 - 2 - HD2 LYS 82 - HG2 GLU 35 lone 1 65 - 2 - HG2 LYS 53 - HG2 GLU 35 lone 1 57 - 2 - HG2 LYS 53 - HG3 GLU 35 lone 1 57 - 2 - HG3 LYS 53 - HG2 GLU 43 lone 1 73 - 2 - HG LEU 29 - HG2 GLU 43 lone 1 70 - 1 - QB ALA 22 - HG2 GLU 43 lone 1 70 - 1 - HG3 LYS 53 - HG3 GLU 35 lone 1 44 - 2 - HG3 LYS 53 - HG2 GLU 35 lone 1 44 - 2 - QB ALA 22 - HG2 GLU 35 lone 1 42 - 2 - QB ALA 22 - HG3 GLU 35 lone 1 42 - 2 - HG LEU 29 - HG3 GLU 35 lone 1 42 - 2 - HG LEU 29 - HG2 GLU 35 lone 1 42 - 2 - Peak 10533 from cnoeabs.peaks (1.64, 2.19, 36.31 ppm; 3.95 A): 10 out of 33 assignments used, quality = 0.92: HD3 LYS 39 + HG2 GLU 43 OK 31 100 - 31 - 10578=7, ~10572=4...(9) HD3 LYS 39 + HG2 GLU 35 OK 31 70 - 44 - 10578=9, 10578/1.8=7...(16) HD3 LYS 39 + HG3 GLU 35 OK 31 70 - 44 - 10578=9, 10578/1.8=7...(16) HB2 LYS 40 + HG2 GLU 43 OK 25 99 - 26 - ~1781=5, ~1780=4...(8) HD2 LYS 39 + HG2 GLU 43 OK 25 87 - 29 - 1.8/10578=6, ~10572=4...(9) HD2 LYS 39 + HG2 GLU 35 OK 22 55 - 41 - 1.8/10578=7, ~10578=5...(15) HD2 LYS 39 + HG3 GLU 35 OK 22 55 - 41 - 1.8/10578=7, ~10578=5...(15) HB ILE 76 + HG2 GLU 43 OK 14 100 - 14 - 3.0/9663=3, ~10606=2...(6) HD2 LYS 94 + HG2 GLU 43 OK 13 65 - 20 - ~10605=3, 3.0/10531=2...(10) HG2 LYS 68 + HG2 GLU 43 OK 10 100 - 10 - 3021/5.0=3, ~10605=1, 4.6/1977=1 HD3 LYS 68 - HG2 GLU 43 lone 8 94 - 8 - ~10605=1, ~10603=1 HD2 LYS 68 - HG2 GLU 43 lone 7 92 - 8 - ~10605=1, ~10603=1 HD2 LYS 94 - HG2 GLU 35 poor 6 39 - 16 - ~12308=2, ~4244=1...(5) HD2 LYS 94 - HG3 GLU 35 poor 6 39 - 16 - ~12308=2, ~4244=1...(5) HB ILE 76 - HG2 GLU 35 lone 5 70 - 7 - 3.0/9663=1 HB ILE 76 - HG3 GLU 35 lone 5 70 - 7 - 3.0/9663=1 HB3 ARG 79 - HG3 GLU 35 lone 5 55 - 9 - 9699/4.9=8 HB3 ARG 79 - HG2 GLU 35 lone 5 55 - 9 - 9699/4.9=8 HG3 LYS 47 - HG2 GLU 43 lone 4 57 - 8 - HG2 LYS 68 - HG3 GLU 35 lone 4 71 - 6 - HG2 LYS 68 - HG2 GLU 35 lone 4 71 - 6 - HB2 LYS 40 - HG3 GLU 35 lone 4 69 - 5 - HB2 LYS 40 - HG2 GLU 35 lone 4 69 - 5 - HD3 LYS 68 - HG2 GLU 35 lone 3 61 - 5 - HD3 LYS 68 - HG3 GLU 35 lone 3 61 - 5 - HD2 LYS 68 - HG2 GLU 35 lone 3 59 - 5 - HD2 LYS 68 - HG3 GLU 35 lone 3 59 - 5 - HB3 LEU 6 - HG2 GLU 43 lone 3 98 - 3 - HG3 LYS 47 - HG3 GLU 35 lone 2 33 - 7 - HG3 LYS 47 - HG2 GLU 35 lone 2 33 - 7 - HB3 ARG 79 - HG2 GLU 43 lone 1 87 - 2 - HB3 LEU 6 - HG2 GLU 35 lone 1 66 - 1 - HB3 LEU 6 - HG3 GLU 35 lone 1 66 - 1 - Peak 10534 from cnoeabs.peaks (2.19, 4.29, 56.96 ppm; 4.48 A): 4 out of 11 assignments used, quality = 0.94: HG3 GLU 35 + HA ASP 36 OK 66 98 - 67 - 2.9/10536=13...(17) HG2 GLU 35 + HA ASP 36 OK 66 98 - 67 - 2.9/10536=13...(17) HG2 GLU 43 + HA ASP 36 OK 34 100 - 35 - 6560/3.0=7, ~1984=7...(10) HB2 GLU 63 + HA ASP 36 OK 15 97 - 16 - 2777/3.0=2, 2777/3.0=2...(6) HG3 PRO 86 - HA ASP 36 lone 10 99 - 10 - 2.3/10535=3, 2.3/10535=2 HG2 MET 1 - HA ASP 36 poor 10 96 - 10 - 6560/3.0=2, 3.0/10536=2, ~6558=1 HB3 GLU 75 - HA ASP 36 lone 7 100 - 7 - 6561/3.0=2 HB2 GLU 95 - HA ASP 36 lone 4 81 - 5 - HG3 GLU 75 - HA ASP 36 lone 3 73 - 4 - ~6561=1, ~6560=1 HB3 GLN 50 - HA ASP 36 lone 3 73 - 4 - 4.5/10540=2 HG2 GLU 75 - HA ASP 36 lone 3 65 - 4 - ~6561=1, ~6560=1 Peak 10535 from cnoeabs.peaks (2.11, 4.29, 56.96 ppm; 4.32 A): 2 out of 12 assignments used, quality = 0.54: HG3 GLU 37 + HA ASP 36 OK 34 100 - 35 - 1608/3.6=18...(5) HB3 GLU 37 + HA ASP 36 OK 30 65 - 45 - 4.6/10541=18...(7) HB2 LEU 64 - HA ASP 36 lone 9 99 - 9 - ~10249=2, 6575/3.6=2 HB3 PRO 86 - HA ASP 36 lone 9 100 - 9 - 6575/3.6=2, 2.3/10534=1 HG3 GLU 104 - HA ASP 36 lone 9 92 - 9 - 3.0/10537=2 HB2 PRO 86 - HA ASP 36 lone 6 87 - 7 - 2.3/10534=1 HB VAL 83 - HA ASP 36 lone 6 99 - 6 - 6575/3.6=1, 9829/4.9=1 HB3 GLU 62 - HA ASP 36 lone 3 61 - 5 - 1.8/10536=1, ~6558=1 QE MET 21 - HA ASP 36 lone 3 94 - 3 - HB2 GLU 69 - HA ASP 36 lone 1 61 - 2 - HB3 GLU 69 - HA ASP 36 lone 1 61 - 2 - HG2 GLU 69 - HA ASP 36 lone 1 61 - 1 - Peak 10536 from cnoeabs.peaks (2.01, 4.29, 56.96 ppm; 4.87 A): 3 out of 9 assignments used, quality = 0.87: HB2 GLU 35 + HA ASP 36 OK 74 100 - 74 - 6558/3.0=22, ~1547=16...(18) QE MET 74 + HA ASP 36 OK 41 99 - 41 - 9585/3.0=10, 3366/3.6=9...(13) HB3 MET 1 + HA ASP 36 OK 12 99 - 12 - 6558/3.0=3, 1529/4.9=2...(5) HB3 GLU 44 - HA ASP 36 lone 8 98 - 8 - 6558/3.0=3, ~6558=2 HB2 GLU 44 - HA ASP 36 lone 8 98 - 8 - 6558/3.0=3, ~6558=2 HB3 LYS 94 - HA ASP 36 lone 7 73 - 9 - 4196/4.9=3, 6558/3.0=2...(4) HB2 GLU 62 - HA ASP 36 lone 7 94 - 7 - 6558/3.0=2, 1.8/10535=1, ~6559=1 HB3 GLU 17 - HA ASP 36 lone 6 100 - 5 - 6558/3.0=2 HB2 GLN 50 - HA ASP 36 lone 3 70 - 4 - 4.5/10540=2 Peak 10537 from cnoeabs.peaks (1.80, 4.29, 56.96 ppm; 3.62 A): 2 out of 7 assignments used, quality = 0.84: HB2 LYS 39 + HA ASP 36 OK 78 99 - 79 - 10560=32, 3.6/10563=16...(18) HB2 LEU 42 + HA ASP 36 OK 28 99 - 28 - 1917/3.0=5, 4.6/1562=3...(10) HB2 GLU 104 - HA ASP 36 lone 9 98 - 9 - 3.0/10535=2, 8779/3.0=1 HB2 GLU 88 - HA ASP 36 lone 7 98 - 7 - 8779/3.0=2, ~6559=1 HB ILE 93 - HA ASP 36 lone 5 100 - 5 - HB2 LYS 90 - HA ASP 36 lone 5 94 - 5 - HG3 ARG 46 - HA ASP 36 lone 4 73 - 5 - Peak 10539 from cnoeabs.peaks (3.89, 2.50, 40.10 ppm; 4.66 A): 4 out of 32 assignments used, quality = 0.95: HA ARG 91 + HB3 ASP 87 OK 66 100 - 66 - ~9963=16, ~9896=12...(19) HA ARG 91 + HB2 ASP 87 OK 66 100 - 66 - ~9963=16, ~9896=12...(19) HA ALA 89 + HB3 ASP 87 OK 37 87 - 43 - ~9924=16, 3.0/10975=8...(6) HA ALA 89 + HB2 ASP 87 OK 37 87 - 43 - ~9924=16, 3.0/10975=8...(6) HA GLU 35 - HB2 ASP 36 OK 37 69 - 53 - 3.6/6563=17, 4.9/1564=12...(12) HA GLU 35 - HB3 ASP 36 OK 33 62 - 53 - 3.6/6563=17, 4.9/1564=12...(12) HB2 SER 85 - HB2 ASP 87 OK 30 81 - 37 - 9846/4.0=9, ~9872=7...(8) HB2 SER 85 - HB3 ASP 87 OK 30 81 - 37 - 9846/4.0=9, ~9872=7...(8) HA LEU 38 - HB2 ASP 36 OK 21 46 - 45 - ~10541=16, ~8940=12...(7) HA LEU 38 - HB3 ASP 36 OK 18 41 - 45 - ~10541=16, ~8940=12...(7) HA GLU 43 - HB2 ASP 36 OK 14 66 - 22 - 6557/3.6=8, 8821/4.0=5...(5) HA GLU 43 - HB3 ASP 36 OK 13 58 - 22 - 6557/3.6=8, 8821/4.0=5...(5) HA GLU 35 - HB2 ASP 87 OK 11 100 - 11 - 3.6/6563=2, 8599/4.6=1 HA GLU 35 - HB3 ASP 87 OK 11 100 - 11 - 3.6/6563=2, 8599/4.6=1 HA ARG 91 - HB2 ASP 36 poor 10 70 - 14 - 8821/4.0=3, 6557/3.6=3 HA ARG 91 - HB3 ASP 36 poor 9 62 - 14 - 8821/4.0=3, 6557/3.6=3 HA GLU 43 - HB3 ASP 87 lone 5 98 - 5 - HA GLU 43 - HB2 ASP 87 lone 5 98 - 5 - HA ALA 89 - HB2 ASP 36 lone 3 54 - 6 - HA3 GLY 101 - HB2 ASP 87 lone 3 99 - 3 - HA3 GLY 101 - HB3 ASP 87 lone 3 99 - 3 - HA ALA 89 - HB3 ASP 36 lone 3 48 - 6 - HB2 SER 102 - HB3 ASP 87 lone 2 99 - 2 - HB2 SER 102 - HB2 ASP 87 lone 2 99 - 2 - HA3 GLY 101 - HB2 ASP 36 lone 2 68 - 3 - 8821/4.0=1 HA LEU 38 - HB3 ASP 87 lone 2 77 - 3 - HA LEU 38 - HB2 ASP 87 lone 2 77 - 3 - HA3 GLY 101 - HB3 ASP 36 lone 2 60 - 3 - 8821/4.0=1 HB2 SER 85 - HB2 ASP 36 lone 2 49 - 3 - HB2 SER 85 - HB3 ASP 36 lone 1 43 - 3 - HB2 SER 102 - HB2 ASP 36 lone 1 67 - 2 - HB2 SER 102 - HB3 ASP 36 lone 1 59 - 2 - Peak 10540 from cnoeabs.peaks (7.64, 4.29, 56.96 ppm; 4.43 A): 1 out of 3 assignments used, quality = 0.64: H LYS 40 + HA ASP 36 OK 64 92 - 70 - 8863=36, 4.6/10560=21...(10) HE22 GLN 50 - HA ASP 36 lone 5 61 - 8 - 1690/10560=2...(3) H GLU 98 - HA ASP 36 lone 1 84 - 1 - Peak 10541 from cnoeabs.peaks (7.53, 4.29, 56.96 ppm; 4.86 A): 1 out of 2 assignments used, quality = 0.88: H LEU 38 + HA ASP 36 OK 88 100 - 88 - 6576/3.6=42, 8940=33...(13) H LEU 14 - HA ASP 36 lone 4 57 - 7 - 8772/3.0=4 Peak 10543 from cnoeabs.peaks (3.87, 3.71, 58.70 ppm; 3.88 A): 2 out of 11 assignments used, quality = 0.92: HA LYS 40 + HA GLU 37 OK 75 99 - 76 - 2.9/1584=25, 3.0/1585=18...(15) HA LEU 38 + HA GLU 37 OK 68 99 - 68 - ~6576=14, ~1600=12...(20) HA GLU 43 - HA GLU 37 OK 23 84 - 27 - 2.9/6686=7, 3.6/6703=5...(6) HA GLU 35 - HA GLU 37 OK 21 70 - 31 - ~8803=9, 3.6/8795=7...(5) HA2 GLY 100 - HA GLU 37 OK 21 99 - 21 - 4437=3, 2.9/7626=2...(9) HA2 GLY 101 - HA GLU 37 lone 9 99 - 9 - 3.0/7631=2 HB3 SER 49 - HA GLU 37 lone 8 84 - 10 - HA ARG 91 - HA GLU 37 poor 8 65 - 12 - 3.0/1586=2, 12057/3.6=2 HA LYS 94 - HA GLU 37 lone 7 99 - 7 - HA LYS 12 - HA GLU 37 lone 4 77 - 6 - 6628/1584=1 HA ALA 67 - HA GLU 37 lone 4 73 - 6 - 8934/8935=1 Peak 10545 from cnoeabs.peaks (1.79, 2.07, 40.84 ppm; 5.40 A): 3 out of 9 assignments used, quality = 0.93: HB2 LEU 42 + HB3 LEU 38 OK 67 84 - 80 - ~8921=20, 6604/4.6=12...(21) HB2 LYS 39 + HB3 LEU 38 OK 62 99 - 62 - 1680/4.6=20, 10561/3.0=9...(21) HG3 ARG 46 + HB3 LEU 38 OK 49 97 - 51 - 10173/3.0=7, 10177/1.8=6...(16) HB2 GLU 88 - HB3 LEU 38 OK 19 77 - 25 - 10550/1.8=3, 3.0/3865=2...(14) HB ILE 93 - HB3 LEU 38 OK 16 94 - 17 - 10029/3.0=3, ~12249=2...(6) HB VAL 78 - HB3 LEU 38 OK 11 81 - 14 - ~10906=4, ~8855=3...(5) HB2 GLU 104 - HB3 LEU 38 poor 10 77 - 12 - ~11076=4, 6604/4.6=2...(4) HB3 GLU 63 - HB3 LEU 38 lone 7 73 - 10 - HB2 LYS 90 - HB3 LEU 38 lone 5 65 - 8 - 10550/1.8=1, 6604/4.6=1 Peak 10546 from cnoeabs.peaks (1.88, 2.07, 40.84 ppm; 5.38 A): 7 out of 10 assignments used, quality = 0.90: HG LEU 42 + HB3 LEU 38 OK 54 77 - 71 - 8921/3.1=22, 2.1/8857=10...(15) HB3 LYS 39 + HB3 LEU 38 OK 36 61 - 58 - 4.0/1641=18...(13) HB2 LYS 20 + HB3 LEU 38 OK 25 96 - 25 - ~12070=2, 863/1.8=2...(12) HB3 LYS 12 + HB3 LEU 38 OK 20 77 - 26 - 4.2/1641=7, 6605/4.6=4...(7) HB2 LYS 12 + HB3 LEU 38 OK 18 70 - 26 - 4.2/1641=7, 6605/4.6=4...(7) HB ILE 8 + HB3 LEU 38 OK 17 81 - 21 - 3.2/12202=5, ~8856=4...(4) HB3 LYS 68 + HB3 LEU 38 OK 14 92 - 16 - ~12320=4, 6605/4.6=4...(4) HB3 GLU 104 - HB3 LEU 38 poor 9 90 - 10 - ~11076=4, ~10550=2...(4) HB VAL 54 - HB3 LEU 38 lone 6 99 - 6 - HB2 ARG 19 - HB3 LEU 38 lone 3 90 - 4 - Peak 10548 from cnoeabs.peaks (2.64, 0.86, 23.57 ppm; 4.85 A): 4 out of 4 assignments used, quality = 0.89: HB3 TYR 41 + QD1 LEU 38 OK 70 99 - 71 - 8875=39, 1625/3.8=16...(7) HB3 ASP 77 + QD1 LEU 38 OK 36 97 - 37 - 1.8/10894=14, 9496=7...(8) HB3 ASP 65 + QD1 LEU 38 OK 27 100 - 26 - 9496=6, 4.0/7052=6...(6) HG3 MET 74 + QD1 LEU 38 OK 23 61 - 37 - 1625/3.8=8, ~3352=4...(14) Peak 10549 from cnoeabs.peaks (2.31, 0.86, 23.57 ppm; 4.94 A): 4 out of 7 assignments used, quality = 0.92: HG3 GLU 43 + QD1 LEU 38 OK 66 87 - 76 - 3.0/12068=13...(23) HB2 TYR 41 + QD1 LEU 38 OK 63 99 - 63 - 1.8/8875=33...(6) HD3 ARG 81 + QD1 LEU 38 OK 25 100 - 25 - 9746/2.1=7, ~9744=3...(7) HG3 GLU 16 + QD1 LEU 38 OK 18 87 - 21 - 3.0/1661=3, 10426=2...(11) HB2 GLU 48 - QD1 LEU 38 lone 8 87 - 9 - 1624/3.8=1 HG2 GLU 63 - QD1 LEU 38 lone 7 77 - 9 - ~10746=1 HB2 TYR 4 - QD1 LEU 38 lone 3 61 - 5 - 3.7/14599=1, 3.7/14599=1 Peak 10550 from cnoeabs.peaks (1.81, 1.46, 40.84 ppm; 5.36 A): 3 out of 8 assignments used, quality = 0.95: HB2 LEU 42 + HB2 LEU 38 OK 81 100 - 81 - ~8921=20, 8922/3.1=12...(22) HB2 LYS 39 + HB2 LEU 38 OK 62 94 - 66 - 1680/4.6=18, 10561/3.0=8...(20) HG2 ARG 46 + HB2 LEU 38 OK 34 65 - 52 - 8853/3.8=8, 1.8/10177=6...(19) HB2 GLU 88 - HB2 LEU 38 OK 24 100 - 23 - 8853/3.8=3, 10545/1.8=2...(12) HB ILE 93 - HB2 LEU 38 OK 19 99 - 19 - 10029/3.0=3, ~12249=2...(7) HB3 LEU 57 - HB2 LEU 38 OK 14 70 - 20 - 8853/3.8=3, ~2615=2...(8) HB2 LYS 90 - HB2 LEU 38 OK 13 99 - 13 - 4.1/7445=4, 8853/3.8=1 HB2 GLU 104 - HB2 LEU 38 OK 13 100 - 13 - ~11076=4, 6604/4.6=2...(5) Peak 10551 from cnoeabs.peaks (1.90, 1.46, 40.84 ppm; 5.33 A): 2 out of 12 assignments used, quality = 0.98: HB2 GLU 43 + HB2 LEU 38 OK 90 100 - 90 - 12068/3.1=14...(40) HG LEU 42 + HB2 LEU 38 OK 76 96 - 80 - 8921/3.1=32...(18) HB3 LYS 13 - HB2 LEU 38 OK 32 92 - 35 - ~8385=9, 4.0/1633=8...(8) HB2 LYS 13 - HB2 LEU 38 OK 30 87 - 35 - ~8385=9, 4.0/1633=8...(8) HB2 LYS 20 - HB2 LEU 38 OK 27 77 - 34 - 12068/3.1=4, ~12070=2...(18) HB ILE 8 - HB2 LEU 38 OK 25 94 - 27 - 3.2/8856=5, ~12202=4...(7) HB3 LEU 14 - HB2 LEU 38 OK 24 100 - 24 - 4.4/1633=5, 3.1/8856=4...(6) HB2 LYS 94 - HB2 LEU 38 OK 11 65 - 17 - ~4196=2, ~4198=2...(7) HB2 ARG 19 - HB2 LEU 38 lone 7 87 - 8 - 4.1/6309=1 HB VAL 54 - HB2 LEU 38 lone 5 61 - 9 - 2.1/10208=1 HB3 LYS 33 - HB2 LEU 38 lone 4 90 - 4 - HB2 LYS 33 - HB2 LEU 38 lone 3 84 - 4 - Peak 10552 from cnoeabs.peaks (3.72, 3.86, 58.99 ppm; 3.92 A): 3 out of 3 assignments used, quality = 0.93: HA GLU 37 + HA LYS 40 OK 68 94 - 72 - 1584/2.9=22, 1585/3.0=16...(15) HA LEU 42 + HA LYS 40 OK 58 84 - 69 - 3.6/1779=14, 6615/2.9=10...(19) HA3 GLY 100 + HA LYS 40 OK 49 100 - 49 - 4440=7, 1794/3.0=7...(17) Peak 10557 from cnoeabs.peaks (8.20, 3.61, 60.29 ppm; 4.91 A): 3 out of 6 assignments used, quality = 0.97: H GLU 43 + HA LYS 39 OK 88 97 - 91 - 6681=47, 4.6/6663=30...(19) H ASP 36 + HA LYS 39 OK 55 77 - 71 - ~10560=19, ~8949=17...(16) H LYS 68 + HA LYS 39 OK 48 81 - 60 - 4.6/1703=9, 10556/3.0=8...(22) H GLU 104 - HA LYS 39 OK 13 73 - 18 - 4.0/1678=3, ~4517=3...(7) H PHE 96 - HA LYS 39 lone 6 87 - 7 - 9585/9609=1, 10556/3.0=1 H SER 97 - HA LYS 39 lone 2 73 - 3 - Peak 10558 from cnoeabs.peaks (7.53, 3.61, 60.29 ppm; 5.62 A): 1 out of 1 assignment used, quality = 0.93: H LEU 38 + HA LYS 39 OK 93 100 - 93 - 10547=50, 6596/3.0=49...(14) Peak 10559 from cnoeabs.peaks (7.84, 3.61, 60.29 ppm; 5.61 A): 4 out of 4 assignments used, quality = 0.77: H TYR 41 + HA LYS 39 OK 59 70 - 85 - 4.6/6663=38, 6643=26...(17) H LYS 73 + HA LYS 39 OK 21 100 - 21 - 6613/3.0=4, 9577/10822=3...(6) H LEU 3 + HA LYS 39 OK 18 99 - 18 - 5.0/1679=4, 6027/1918=3...(7) H ASN 26 + HA LYS 39 OK 13 100 - 13 - 6637/3.6=2, 6613/3.0=2...(5) Peak 10560 from cnoeabs.peaks (4.28, 1.80, 32.18 ppm; 3.94 A): 2 out of 2 assignments used, quality = 0.84: HA ASP 36 + HB2 LYS 39 OK 81 99 - 82 - 10537=27, 8949/4.0=17...(18) HA LEU 103 + HB2 LYS 39 OK 12 70 - 17 - 8949/4.0=5, 10563/3.6=3...(7) Peak 10561 from cnoeabs.peaks (3.87, 1.80, 32.18 ppm; 4.34 A): 4 out of 12 assignments used, quality = 0.97: HA LYS 40 + HB2 LYS 39 OK 73 94 - 78 - 2.9/1690=26, ~6621=11...(22) HA LEU 38 + HB2 LYS 39 OK 62 100 - 62 - 3.6/1680=19, ~10547=14...(15) HA GLU 43 + HB2 LYS 39 OK 43 94 - 46 - ~6681=15, 2.9/6687=7...(10) HA GLU 35 + HB2 LYS 39 OK 40 84 - 48 - 4.9/10560=19, 3.6/8779=7...(10) HA LYS 12 - HB2 LYS 39 OK 31 61 - 51 - 3.6/1680=7, 3.0/1683=7...(24) HA LYS 94 - HB2 LYS 39 OK 25 96 - 25 - 3.0/7507=3, 4174/3.0=3...(10) HA2 GLY 100 - HB2 LYS 39 lone 9 96 - 10 - 6617/4.6=2, 8950/3.0=1 HA ARG 91 - HB2 LYS 39 poor 9 81 - 11 - HA2 GLY 101 - HB2 LYS 39 lone 7 96 - 7 - HB3 SER 49 - HB2 LYS 39 lone 5 70 - 8 - 9080/4.6=1, 8950/3.0=1 HA3 GLY 101 - HB2 LYS 39 lone 3 61 - 5 - HB2 SER 102 - HB2 LYS 39 lone 1 57 - 2 - Peak 10562 from cnoeabs.peaks (4.28, 1.34, 25.61 ppm; 5.17 A): 2 out of 4 assignments used, quality = 0.95: HA ASP 36 + HG2 LYS 39 OK 92 99 - 93 - 10560/3.0=38...(21) HA ASP 36 + HG3 LYS 68 OK 36 58 - 63 - 10266/3.0=12...(24) HA LEU 103 - HG2 LYS 39 OK 18 70 - 25 - 8949/5.2=6, 10560/3.0=6...(6) HA LEU 103 - HG3 LYS 68 poor 5 35 - 14 - 10268/1.8=2, 10115/4.0=2...(4) Peak 10563 from cnoeabs.peaks (4.29, 1.64, 29.36 ppm; 3.83 A): 2 out of 4 assignments used, quality = 0.73: HA ASP 36 + HD3 LYS 39 OK 69 99 - 70 - 10560/3.6=18...(16) HA LEU 103 + HD3 LYS 39 OK 13 96 - 13 - 10560/3.6=3, 8949/6.0=2...(5) HA ASP 65 - HD3 LYS 39 poor 8 57 - 14 - 3.0/9491=1, 9500=1...(6) HA GLU 28 - HD3 LYS 39 lone 3 70 - 4 - Peak 10564 from cnoeabs.peaks (4.29, 2.87, 41.80 ppm; 4.21 A): 4 out of 8 assignments used, quality = 0.94: HA ASP 36 + HE2 LYS 39 OK 76 99 - 77 - 10563/3.0=25, 8788=21...(13) HA ASP 36 + HE3 LYS 39 OK 65 85 - 77 - 10563/3.0=25, 8788=21...(13) HA LEU 103 + HE2 LYS 39 OK 14 96 - 15 - 10563/3.0=5, 10560/4.9=2...(6) HA LEU 103 + HE3 LYS 39 OK 12 79 - 15 - 10563/3.0=5, 10560/4.9=2...(6) HA ASP 65 - HE2 LYS 39 lone 5 57 - 10 - 10563/3.0=3, 10267/3.5=1 HA ASP 65 - HE3 LYS 39 lone 4 44 - 9 - 10563/3.0=3, 10267/3.5=1 HA GLU 28 - HE2 LYS 39 lone 2 70 - 3 - 10563/3.0=1 HA GLU 28 - HE3 LYS 39 lone 2 54 - 3 - 10563/3.0=1 Peak 10565 from cnoeabs.peaks (4.28, 1.44, 25.61 ppm; 5.69 A): 1 out of 1 assignment used, quality = 0.74: HA ASP 36 + HG3 LYS 39 OK 74 81 - 92 - 10560/3.0=36...(21) Peak 10566 from cnoeabs.peaks (0.69, 1.80, 32.18 ppm; 5.26 A): 2 out of 9 assignments used, quality = 0.94: QD1 LEU 42 + HB2 LYS 39 OK 91 97 - 94 - 8966/3.0=38, ~8967=23...(26) QD2 LEU 14 + HB2 LYS 39 OK 36 84 - 43 - ~10570=8, 8953/3.0=7...(13) QD1 ILE 52 - HB2 LYS 39 OK 32 100 - 32 - 8953/3.0=6, 8947/4.0=5...(7) QD1 LEU 14 - HB2 LYS 39 OK 24 65 - 37 - 4.9/1680=5, ~8953=5...(13) QD2 LEU 6 - HB2 LYS 39 OK 23 94 - 24 - 8953/3.0=4, 220/3.6=2...(5) QD1 ILE 8 - HB2 LYS 39 OK 17 81 - 21 - 8947/4.0=3, 8953/3.0=3 QD1 ILE 56 - HB2 LYS 39 OK 16 87 - 18 - 8947/4.0=3, 8953/3.0=3...(5) HG13 ILE 56 - HB2 LYS 39 poor 9 61 - 15 - ~8953=2, 8947/4.0=2...(4) QG2 VAL 58 - HB2 LYS 39 lone 6 57 - 10 - 10570/3.0=2 Peak 10567 from cnoeabs.peaks (0.71, 1.87, 32.18 ppm; 4.36 A): 8 out of 32 assignments used, quality = 0.90: QG2 VAL 78 + HB3 LYS 68 OK 50 97 - 52 - 2.1/10351=11...(15) QG1 VAL 5 + HB3 LYS 68 OK 31 87 - 36 - 8182/3.0=4, ~10368=4...(15) QD2 LEU 27 + HB3 LYS 12 OK 20 55 - 36 - 2.1/10484=6, ~10484=5...(14) QD2 LEU 14 + HB3 LYS 39 OK 19 61 - 31 - ~10570=5, 8953/3.0=4...(12) QD2 LEU 14 + HB3 LYS 68 OK 19 98 - 19 - ~10570=2, 10403/10258=2...(6) QG1 VAL 5 + HB3 LYS 12 OK 18 64 - 28 - 2.1/181=3, ~181=3...(12) QD2 LEU 27 + HB2 LYS 12 OK 16 46 - 36 - 2.1/10484=6, ~10484=5...(14) QD2 LEU 27 + HB3 LYS 68 OK 16 77 - 21 - 2.1/10484=3, 8640/3.0=3...(7) QG1 VAL 5 - HB2 LYS 12 OK 15 53 - 28 - 2.1/181=3, 3.2/163=3...(12) HG13 ILE 56 - HB3 LYS 68 OK 14 100 - 14 - 10677/2.9=1, ~10672=1...(4) QG1 VAL 58 - HB3 LYS 68 OK 14 98 - 14 - 10223/9731=3, 9531/4.0=2...(5) QG1 VAL 5 - HB3 LYS 39 OK 14 50 - 27 - 2.1/181=3, 3.2/163=3...(12) QD1 ILE 56 - HB3 LYS 68 OK 12 97 - 12 - ~10672=1, 10682/9731=1 QG2 VAL 78 - HB3 LYS 39 OK 11 60 - 19 - 2.1/10351=3, 10291/3.6=2...(7) QD2 LEU 14 - HB3 LYS 12 OK 11 76 - 14 - 633/4.2=6 QD2 LEU 14 - HB2 LYS 12 poor 9 65 - 13 - 633/4.2=6 QG2 VAL 78 - HB3 LYS 12 poor 8 75 - 11 - 2.1/10351=2, 8384/4.2=1...(4) QD1 ILE 8 - HB3 LYS 68 lone 8 99 - 8 - HG13 ILE 56 - HB3 LYS 39 poor 8 65 - 13 - ~8953=1, ~10566=1, 10677/3.0=1 QD1 ILE 8 - HB3 LYS 39 poor 8 63 - 13 - 8947/4.0=2, 8953/3.0=2, ~8956=1 QD1 ILE 56 - HB3 LYS 39 poor 8 60 - 13 - 8947/4.0=2, 8953/3.0=1 QD2 LEU 27 - HB3 LYS 39 poor 8 43 - 17 - 2.1/10484=3, 1215/3.0=1...(5) QG2 VAL 78 - HB2 LYS 12 poor 7 63 - 11 - 2.1/10351=2, 8384/4.2=1...(4) QD1 ILE 8 - HB3 LYS 12 lone 7 77 - 8 - 8384/4.2=3, 8306/3.0=1 QD1 ILE 8 - HB2 LYS 12 lone 5 66 - 8 - 8384/4.2=3, 8306/3.0=1 QG1 VAL 58 - HB3 LYS 39 lone 5 61 - 9 - ~10570=3, ~9378=1 HG13 ILE 56 - HB3 LYS 12 lone 5 80 - 7 - 8384/4.2=2 QD1 ILE 56 - HB3 LYS 12 lone 5 75 - 6 - 8384/4.2=1 QG1 VAL 58 - HB3 LYS 12 lone 4 76 - 6 - 8384/4.2=2 HG13 ILE 56 - HB2 LYS 12 lone 4 69 - 7 - 8384/4.2=2 QD1 ILE 56 - HB2 LYS 12 lone 4 63 - 6 - 8384/4.2=1 QG1 VAL 58 - HB2 LYS 12 lone 4 65 - 6 - 8384/4.2=2 Peak 10568 from cnoeabs.peaks (0.66, 1.44, 25.61 ppm; 4.42 A): 2 out of 3 assignments used, quality = 0.58: QD1 LEU 29 + HG3 LYS 39 OK 39 100 - 39 - 1307=4, 8671/3.0=4...(15) QD2 LEU 29 + HG3 LYS 39 OK 31 84 - 37 - 2.1/1307=4, 3.1/1275=4...(15) QG2 VAL 54 - HG3 LYS 39 lone 10 100 - 10 - Peak 10569 from cnoeabs.peaks (0.80, 1.34, 25.61 ppm; 3.58 A): 7 out of 16 assignments used, quality = 0.89: QD1 ILE 76 + HG2 LYS 39 OK 54 100 - 54 - 8956/3.0=7, 3454/1.8=7...(23) QD2 LEU 70 + HG2 LYS 39 OK 40 98 - 41 - 10822/3.9=19...(6) QG2 ILE 7 + HG2 LYS 39 OK 22 100 - 22 - 3.0/12172=3, 8956/3.0=3...(5) QD2 LEU 2 + HG2 LYS 39 OK 21 97 - 22 - 79=3, 8956/3.0=2...(8) QD1 LEU 70 + HG2 LYS 39 OK 17 81 - 21 - 8952/3.9=4, ~8956=3...(7) QG2 ILE 15 + HG2 LYS 39 OK 15 96 - 16 - 4.0/1702=3, 8956/3.0=2...(5) QD1 ILE 76 + HG3 LYS 68 OK 11 61 - 17 - 3451/1.8=2, 3451/3.0=2...(4) QD2 LEU 57 - HG2 LYS 39 lone 8 98 - 8 - 8956/3.0=1 QD2 LEU 57 - HG3 LYS 68 poor 7 57 - 13 - ~10263=2, 2636/2.9=2...(4) QG2 ILE 8 - HG2 LYS 39 lone 7 77 - 8 - 8956/3.0=1 QD2 LEU 70 - HG3 LYS 68 lone 4 57 - 8 - 10822/1703=2 QG2 ILE 7 - HG3 LYS 68 lone 3 60 - 5 - QG2 ILE 15 - HG3 LYS 68 lone 3 54 - 6 - QD2 LEU 2 - HG3 LYS 68 lone 3 56 - 5 - QD1 LEU 70 - HG3 LYS 68 lone 2 42 - 5 - QG2 ILE 8 - HG3 LYS 68 lone 2 40 - 4 - Peak 10570 from cnoeabs.peaks (0.68, 1.34, 25.61 ppm; 3.18 A): 3 out of 10 assignments used, quality = 0.52: QD1 LEU 42 + HG2 LYS 39 OK 32 90 - 35 - 8966/3.9=10, 1937/3.0=4...(13) QD1 LEU 14 + HG2 LYS 39 OK 22 100 - 22 - 622=3, 2.1/630=2...(8) QG2 VAL 58 + HG2 LYS 39 OK 10 100 - 10 - 9378=2 QD2 LEU 6 - HG2 LYS 39 lone 8 94 - 9 - 220/3.0=1, 220/3.0=1 QD1 LEU 14 - HG3 LYS 68 poor 8 61 - 13 - 622=2, 2.1/630=1, 10402/9732=1 QG2 VAL 58 - HG3 LYS 68 poor 6 60 - 10 - 9378=2 QD1 ILE 52 - HG2 LYS 39 lone 5 70 - 7 - QD2 LEU 6 - HG3 LYS 68 lone 5 52 - 9 - 220/1.8=1, 220/3.0=1, 220/3.0=1 QD1 LEU 42 - HG3 LYS 68 lone 3 49 - 5 - 8966/1703=1 QD1 ILE 52 - HG3 LYS 68 lone 1 35 - 2 - Peak 10571 from cnoeabs.peaks (2.52, 1.34, 25.61 ppm; 5.88 A): 3 out of 12 assignments used, quality = 0.98: HB3 ASP 36 + HG2 LYS 39 OK 81 90 - 91 - ~10565=29, ~10560=27...(16) HB2 ASP 36 + HG2 LYS 39 OK 79 87 - 91 - ~10565=29, ~10560=27...(16) HG2 MET 74 + HG2 LYS 39 OK 59 92 - 64 - ~12073=17, ~9602=14...(11) HG3 GLU 63 - HG2 LYS 39 OK 41 100 - 41 - ~10574=9, 1.8/10572=8...(9) HB3 ASP 36 - HG3 LYS 68 OK 20 49 - 41 - 3.0/10562=10, ~10266=8...(12) HB2 ASP 36 - HG3 LYS 68 OK 19 47 - 40 - 3.0/10562=10, ~10266=8...(12) HG3 GLU 95 - HG2 LYS 39 OK 16 96 - 16 - 4.8/7532=2, 8955/5.2=2...(6) HB2 ASP 61 - HG2 LYS 39 lone 8 96 - 8 - 3.0/9446=2 HG3 GLU 63 - HG3 LYS 68 lone 6 60 - 10 - 3.0/10748=2, 10768/9490=1 HG2 MET 74 - HG3 LYS 68 lone 5 51 - 9 - ~9600=1, 3.4/12072=1 HG3 GLU 95 - HG3 LYS 68 lone 4 54 - 7 - 4.8/7532=2 HB2 ASP 61 - HG3 LYS 68 lone 4 54 - 7 - 3.0/9446=1 Peak 10572 from cnoeabs.peaks (2.31, 1.34, 25.61 ppm; 5.06 A): 4 out of 14 assignments used, quality = 0.69: HG3 GLU 43 + HG2 LYS 39 OK 38 87 - 44 - 10574/1.8=10, 10605=6...(10) HB2 TYR 41 + HG2 LYS 39 OK 25 99 - 25 - 10574/1.8=7, 8891/1712=3...(9) HG2 GLU 63 + HG2 LYS 39 OK 24 77 - 31 - 10574/1.8=9, 3.0/10748=5...(8) HB2 GLU 48 + HG2 LYS 39 OK 11 87 - 13 - 10574/1.8=4, 4.0/1712=2 HD3 ARG 81 - HG2 LYS 39 lone 10 100 - 10 - 10574/1.8=2, 3636/7332=2...(4) HB2 TYR 41 - HG3 LYS 68 poor 7 59 - 13 - 4.0/6649=2, 3.0/10586=2 HG3 GLU 43 - HG3 LYS 68 poor 7 47 - 16 - 1984/4.6=4, 10605=2...(7) HB2 TYR 4 - HG2 LYS 39 poor 7 61 - 11 - 10574/1.8=4, 4.6/8185=3...(4) HG3 GLU 16 - HG2 LYS 39 lone 5 87 - 6 - 10574/1.8=2 HD3 ARG 81 - HG3 LYS 68 lone 4 60 - 6 - 6.2/9738=2, 5.3/9743=1 HB2 GLU 48 - HG3 LYS 68 lone 4 47 - 8 - HG2 GLU 63 - HG3 LYS 68 lone 3 40 - 8 - 3.0/10748=2 HG3 GLU 16 - HG3 LYS 68 lone 2 47 - 3 - HB2 TYR 4 - HG3 LYS 68 lone 1 30 - 5 - 4.6/8185=2 Peak 10573 from cnoeabs.peaks (2.19, 1.34, 25.61 ppm; 4.90 A): 4 out of 22 assignments used, quality = 0.95: HG2 GLU 35 + HG2 LYS 39 OK 64 98 - 66 - 10575/1.8=9, 10578/3.0=8...(20) HG3 GLU 35 + HG2 LYS 39 OK 64 98 - 66 - 10575/1.8=9, 10578/3.0=8...(20) HG2 GLU 43 + HG2 LYS 39 OK 46 100 - 46 - 1.8/10572=10, ~10574=7...(12) HB2 GLU 63 + HG2 LYS 39 OK 36 97 - 37 - ~10574=6, 1.8/10748=5...(11) HB3 GLU 75 - HG2 LYS 39 OK 18 100 - 18 - 4.0/1702=3, 10578/3.0=3...(5) HG3 PRO 86 - HG2 LYS 39 OK 12 99 - 12 - 9889/10570=1, 3.8/9880=1...(4) HG2 MET 1 - HG2 LYS 39 OK 11 96 - 12 - 10575/1.8=2, 10576/3.0=2...(5) HB2 GLU 95 - HG2 LYS 39 OK 10 81 - 12 - 4.0/7532=2, 10575/1.8=1...(5) HG3 GLU 75 - HG2 LYS 39 poor 9 73 - 13 - 5.0/1702=3, ~10575=2...(6) HG2 GLU 43 - HG3 LYS 68 poor 9 60 - 15 - 1.8/10605=3, 1977/4.6=2...(5) HG2 GLU 75 - HG2 LYS 39 poor 8 65 - 12 - 5.0/1702=3, ~10575=2...(5) HB3 GLN 50 - HG2 LYS 39 lone 6 73 - 9 - 4.5/1712=4, 1.8/12072=1 HG3 GLU 35 - HG3 LYS 68 poor 6 57 - 11 - HG2 GLU 35 - HG3 LYS 68 poor 6 57 - 11 - HB2 GLU 63 - HG3 LYS 68 poor 6 56 - 11 - 4.6/9469=2, 1.8/10748=2, ~2771=2 HG3 PRO 86 - HG3 LYS 68 lone 4 58 - 7 - 3.8/9880=1 HB3 GLU 75 - HG3 LYS 68 lone 3 61 - 5 - HG2 MET 1 - HG3 LYS 68 lone 2 54 - 4 - HB2 GLU 95 - HG3 LYS 68 lone 2 42 - 5 - 4.0/7532=2 HB3 GLN 50 - HG3 LYS 68 lone 1 37 - 3 - HG3 GLU 75 - HG3 LYS 68 lone 1 37 - 3 - HG2 GLU 75 - HG3 LYS 68 lone 1 33 - 3 - Peak 10574 from cnoeabs.peaks (2.31, 1.44, 25.61 ppm; 5.21 A): 4 out of 7 assignments used, quality = 0.62: HG3 GLU 43 + HG3 LYS 39 OK 28 70 - 40 - 10572/1.8=10...(9) HG2 GLU 63 + HG3 LYS 39 OK 26 92 - 28 - 10572/1.8=7, 3.0/10575=5...(8) HB2 TYR 41 + HG3 LYS 39 OK 19 94 - 20 - 10572/1.8=7, 8891/1723=4...(5) HB2 GLU 48 + HG3 LYS 39 OK 12 97 - 13 - 4.0/1723=3, 10572/1.8=3 HB2 TYR 4 - HG3 LYS 39 poor 10 81 - 12 - 4.6/8186=3, 3.0/8139=3...(5) HG3 GLU 16 - HG3 LYS 39 lone 6 97 - 6 - 10572/1.8=1 HD3 ARG 81 - HG3 LYS 39 lone 6 100 - 6 - 10572/1.8=3 Peak 10575 from cnoeabs.peaks (2.20, 1.44, 25.61 ppm; 4.78 A): 4 out of 9 assignments used, quality = 0.93: HG3 GLU 35 + HG3 LYS 39 OK 61 100 - 61 - 2.9/12073=7, 12061/3.0=7...(19) HG2 GLU 35 + HG3 LYS 39 OK 61 100 - 61 - 2.9/12073=7, 12061/3.0=7...(19) HG2 GLU 43 + HG3 LYS 39 OK 39 90 - 44 - 1.8/10574=9, ~10572=7...(12) HB2 GLU 63 + HG3 LYS 39 OK 29 100 - 29 - 3.0/10574=7, ~10748=4...(10) HB3 GLU 75 - HG3 LYS 39 OK 19 92 - 20 - 4.0/1713=4, 4.1/7257=4...(7) HG2 MET 1 - HG3 LYS 39 OK 12 100 - 12 - 3.0/12073=2, 3.3/12073=2...(6) HB2 GLU 95 - HG3 LYS 39 lone 8 99 - 8 - ~11012=1, 8954/5.2=1 HG3 PRO 86 - HG3 LYS 39 lone 7 99 - 7 - 10573/1.8=1 HG2 GLU 98 - HG3 LYS 39 lone 1 73 - 1 - Peak 10576 from cnoeabs.peaks (2.19, 1.80, 32.18 ppm; 4.67 A): 6 out of 11 assignments used, quality = 0.94: HG3 GLU 35 + HB2 LYS 39 OK 58 98 - 59 - 1.8/12061=8, 12061=8...(19) HG2 GLU 35 + HB2 LYS 39 OK 58 98 - 59 - 1.8/12061=8, 12060=8...(19) HG2 GLU 43 + HB2 LYS 39 OK 43 100 - 44 - 10578/3.6=6, ~10572=5...(13) HB2 GLU 63 + HB2 LYS 39 OK 25 97 - 26 - ~10574=4, 10575/3.0=3...(9) HB3 GLU 75 + HB2 LYS 39 OK 17 100 - 16 - 4.0/1680=4, 10578/3.6=3...(6) HG2 MET 1 + HB2 LYS 39 OK 11 96 - 11 - 10575/3.0=1, 10573/3.0=1 HG3 PRO 86 - HB2 LYS 39 lone 8 99 - 7 - 10573/3.0=1 HG3 GLU 75 - HB2 LYS 39 lone 7 73 - 10 - 5.0/1680=3, ~10575=1 HB2 GLU 95 - HB2 LYS 39 lone 7 81 - 8 - 10575/3.0=1 HB3 GLN 50 - HB2 LYS 39 lone 7 73 - 9 - 4.5/1690=5 HG2 GLU 75 - HB2 LYS 39 lone 6 65 - 9 - 5.0/1680=3, ~10575=1 Peak 10577 from cnoeabs.peaks (2.51, 1.64, 29.36 ppm; 4.65 A): 3 out of 8 assignments used, quality = 0.94: HB3 ASP 36 + HD3 LYS 39 OK 71 97 - 73 - 3.0/10563=29, ~10565=14...(15) HB2 ASP 36 + HD3 LYS 39 OK 70 96 - 73 - 3.0/10563=29, ~10565=14...(15) HG2 MET 74 + HD3 LYS 39 OK 32 81 - 40 - ~12073=8, ~9600=8...(8) HG3 GLU 63 - HD3 LYS 39 OK 22 100 - 22 - ~10574=5, 3.0/10578=3...(7) HG3 GLU 95 - HD3 LYS 39 lone 6 87 - 7 - 10571/3.0=1 HB2 ASP 61 - HD3 LYS 39 lone 4 99 - 4 - HB3 ASP 87 - HD3 LYS 39 lone 2 73 - 2 - HB2 ASP 87 - HD3 LYS 39 lone 2 73 - 2 - Peak 10578 from cnoeabs.peaks (2.19, 1.64, 29.36 ppm; 4.34 A): 5 out of 11 assignments used, quality = 0.86: HG3 GLU 35 + HD3 LYS 39 OK 43 90 - 48 - 10576/3.6=6, 10573/3.0=5...(18) HG2 GLU 35 + HD3 LYS 39 OK 43 90 - 48 - 10576/3.6=6, 10573/3.0=5...(18) HG2 GLU 43 + HD3 LYS 39 OK 36 100 - 36 - 10533=5, ~10572=5...(13) HB2 GLU 63 + HD3 LYS 39 OK 18 87 - 21 - ~10574=3, 3.0/10577=3...(8) HB3 GLU 75 + HD3 LYS 39 OK 16 99 - 16 - 4.1/7254=4, 4.0/1735=4...(7) HG3 GLU 75 - HD3 LYS 39 lone 8 90 - 8 - 5.0/1735=3, ~10575=1 HG2 GLU 75 - HD3 LYS 39 lone 7 84 - 8 - 5.0/1735=3, ~10575=1 HG2 MET 1 - HD3 LYS 39 lone 5 84 - 6 - 10576/3.6=1 HG3 PRO 86 - HD3 LYS 39 lone 5 92 - 5 - HB2 GLU 95 - HD3 LYS 39 lone 4 61 - 7 - HB3 GLN 50 - HD3 LYS 39 lone 3 90 - 3 - Peak 10579 from cnoeabs.peaks (2.01, 1.16, 24.65 ppm; 5.64 A): 4 out of 9 assignments used, quality = 0.84: HB2 GLU 44 + HG2 LYS 40 OK 52 92 - 56 - 3.0/10580=25, ~10185=11...(14) HB3 GLU 44 + HG2 LYS 40 OK 52 92 - 56 - 3.0/10580=25, ~10185=11...(14) QE MET 74 + HG2 LYS 40 OK 22 94 - 24 - 9610/3.8=6, 12193/1.8=6...(5) HB3 LYS 94 + HG2 LYS 40 OK 14 87 - 16 - 4198/3.8=3, 3.0/1807=2...(5) HB3 MET 1 - HG2 LYS 40 poor 10 96 - 10 - 8013/135=3, 8014/127=1, ~8019=1 HB2 GLU 35 - HG2 LYS 40 lone 9 100 - 9 - HB2 GLN 50 - HG2 LYS 40 poor 9 84 - 10 - 4.5/1806=8 HB2 GLU 62 - HG2 LYS 40 lone 6 99 - 6 - HB3 GLU 17 - HG2 LYS 40 lone 6 99 - 6 - Peak 10580 from cnoeabs.peaks (2.34, 1.16, 24.65 ppm; 5.81 A): 1 out of 4 assignments used, quality = 0.54: HG3 GLU 44 + HG2 LYS 40 OK 54 90 - 61 - 10185/1.8=14...(10) HG2 GLU 48 - HG2 LYS 40 poor 10 94 - 10 - 4.9/1806=4, ~12315=2, ~10183=1 HG3 GLU 69 - HG2 LYS 40 lone 7 100 - 7 - ~10801=1, ~10799=1, ~10802=1 HG2 GLU 16 - HG2 LYS 40 lone 3 99 - 3 - Peak 10581 from cnoeabs.peaks (4.80, 1.46, 28.90 ppm; 4.07 A): 2 out of 9 assignments used, quality = 0.85: HA VAL 83 + HD2 LYS 82 OK 70 99 - 71 - 10938/1.8=24, ~3713=12...(10) HA ASN 60 + HD2 LYS 82 OK 51 92 - 56 - 10938/1.8=16, ~9417=10...(9) HA VAL 83 - HD2 LYS 40 poor 9 89 - 10 - 3.0/3702=3, ~3702=2...(4) HA VAL 83 - HD3 LYS 40 poor 8 84 - 10 - 3.0/3702=3, ~3702=2...(4) HA TRP 92 - HD2 LYS 82 lone 6 70 - 8 - 2.9/7460=2, ~7459=2...(4) HA ASN 60 - HD2 LYS 40 lone 4 80 - 5 - HA ASN 60 - HD3 LYS 40 lone 4 75 - 5 - HA TRP 92 - HD2 LYS 40 lone 2 58 - 3 - HA TRP 92 - HD3 LYS 40 lone 2 54 - 3 - Peak 10583 from cnoeabs.peaks (8.19, 3.93, 59.76 ppm; 5.07 A): 3 out of 4 assignments used, quality = 0.94: H GLU 43 + HA TYR 41 OK 87 100 - 87 - 6683/3.0=29, 6685/3.6=28...(17) H LYS 68 + HA TYR 41 OK 39 97 - 40 - 7116/3.6=14, 6660/3.0=9...(7) H ASP 36 + HA TYR 41 OK 31 96 - 33 - 1779/4.8=9, 6678/3.6=8...(6) H PHE 96 - HA TYR 41 lone 4 61 - 6 - 1779/4.8=1 Peak 10584 from cnoeabs.peaks (8.26, 3.93, 59.76 ppm; 4.72 A): 3 out of 5 assignments used, quality = 0.82: H PHE 45 + HA TYR 41 OK 65 100 - 65 - 4.6/1879=19, 6718=13...(14) H ALA 71 + HA TYR 41 OK 37 100 - 37 - 7157/3.6=10, 4.6/1878=8...(8) H LYS 94 + HA TYR 41 OK 20 97 - 21 - 6715/1879=3, 6698/6684=3...(8) H LEU 27 - HA TYR 41 lone 5 73 - 7 - 4.7/8871=1, 4.6/1872=1 H GLU 23 - HA TYR 41 lone 2 61 - 3 - Peak 10585 from cnoeabs.peaks (1.16, 3.93, 59.76 ppm; 5.12 A): 3 out of 5 assignments used, quality = 0.89: HG2 LYS 40 + HA TYR 41 OK 83 100 - 83 - 6648/3.0=21, ~1805=16...(16) HB3 LEU 3 + HA TYR 41 OK 25 92 - 27 - 6648/3.0=8, 3.1/8089=7...(6) HB2 LEU 29 + HA TYR 41 OK 17 100 - 17 - 6648/3.0=6, 1772/4.8=5...(4) QG2 THR 34 - HA TYR 41 lone 7 77 - 9 - 6648/3.0=2, 1772/4.8=1...(5) QG2 THR 31 - HA TYR 41 lone 6 61 - 9 - 6648/3.0=2, 8314/6110=2 Peak 10586 from cnoeabs.peaks (1.36, 3.93, 59.76 ppm; 5.11 A): 3 out of 12 assignments used, quality = 0.96: HG3 LYS 40 + HA TYR 41 OK 88 100 - 88 - 1.8/10585=24, ~1805=16...(18) HG12 ILE 8 + HA TYR 41 OK 48 98 - 49 - 3.1/8871=6, 312/3.0=5...(16) HB2 LEU 70 + HA TYR 41 OK 35 87 - 41 - 3133/3.6=11, 3.9/1878=10...(9) HG2 LYS 39 - HA TYR 41 OK 33 87 - 38 - ~8883=8, 6649/3.0=6...(7) HG LEU 14 - HA TYR 41 OK 32 97 - 33 - 2.1/10409=10, ~8870=4...(8) HG3 LYS 68 - HA TYR 41 OK 27 96 - 29 - 4.6/10583=6, 1773/4.8=4...(9) HB3 ARG 30 - HA TYR 41 OK 25 81 - 31 - 8700/4.2=6, ~10509=6...(8) HB3 LEU 27 - HA TYR 41 OK 14 84 - 16 - 3.1/8871=2, 1773/4.8=2...(6) HG2 LYS 94 - HA TYR 41 poor 9 65 - 13 - 4.9/10584=4, 2.9/2145=2...(4) HB2 LYS 82 - HA TYR 41 lone 7 81 - 9 - 6649/3.0=1 QB ALA 25 - HA TYR 41 poor 7 65 - 10 - 3.6/1872=2, 10334/4.8=1 QB ALA 89 - HA TYR 41 lone 4 65 - 5 - Peak 10588 from cnoeabs.peaks (1.67, 3.93, 59.76 ppm; 4.68 A): 8 out of 15 assignments used, quality = 0.95: HB3 LYS 40 + HA TYR 41 OK 64 77 - 83 - ~1793=18, 2.9/10585=17...(21) HB ILE 52 + HA TYR 41 OK 48 100 - 48 - 2.1/8871=7, 10645/3.0=7...(15) HD2 LYS 47 + HA TYR 41 OK 30 87 - 35 - 3.0/10615=8, 3.0/10616=5...(10) HD3 LYS 47 + HA TYR 41 OK 29 84 - 35 - 3.0/10615=8, 3.0/10616=5...(10) HD2 LYS 39 + HA TYR 41 OK 17 81 - 21 - ~6646=4, 3.0/10586=3...(7) HD2 LYS 68 + HA TYR 41 OK 12 73 - 16 - 5.9/10583=4, 3.0/10586=2...(6) HD3 LYS 68 + HA TYR 41 OK 11 70 - 16 - 5.9/10583=4, 3.0/10586=2...(6) HG3 LYS 20 + HA TYR 41 OK 11 98 - 11 - 6647/3.0=1, ~8882=1...(5) HD2 LYS 73 - HA TYR 41 lone 9 100 - 9 - 3.0/10616=2 HD3 LYS 73 - HA TYR 41 lone 9 100 - 9 - 3.0/10616=2 HD2 LYS 20 - HA TYR 41 lone 8 94 - 9 - 6647/3.0=1 HD3 LYS 20 - HA TYR 41 lone 8 98 - 8 - 6647/3.0=1, ~6647=1 HB3 ARG 91 - HA TYR 41 lone 6 81 - 8 - 6647/3.0=1 HB3 LYS 53 - HA TYR 41 lone 5 70 - 8 - 6647/3.0=1, 1771/4.8=1 HB3 ARG 79 - HA TYR 41 lone 2 81 - 2 - Peak 10592 from cnoeabs.peaks (0.88, 3.70, 58.24 ppm; 4.60 A): 5 out of 7 assignments used, quality = 0.88: QG2 ILE 76 + HA LEU 42 OK 70 96 - 74 - 10883/3.0=14...(21) QD1 LEU 38 + HA LEU 42 OK 27 77 - 35 - 8922/3.0=9, 4.5/6580=8...(9) HG13 ILE 7 + HA LEU 42 OK 20 65 - 31 - 8912/3.0=8, ~8913=7...(10) HG13 ILE 8 + HA LEU 42 OK 20 87 - 23 - 8912/3.0=5, 2.9/1902=3...(9) QD1 LEU 2 + HA LEU 42 OK 15 97 - 15 - 8912/3.0=6, 8922/3.0=2...(5) QD2 LEU 64 - HA LEU 42 lone 6 84 - 7 - 8922/3.0=2 QD1 LEU 103 - HA LEU 42 lone 5 90 - 6 - 8922/3.0=1, 6602/6595=1 Peak 10594 from cnoeabs.peaks (2.63, 0.69, 25.64 ppm; 5.33 A): 3 out of 4 assignments used, quality = 0.96: HG3 MET 74 + QD1 LEU 42 OK 77 94 - 82 - 10595/2.1=22...(13) HB3 TYR 41 + QD1 LEU 42 OK 72 98 - 73 - 6669/4.7=21, 8877=11...(19) HB3 ASP 77 + QD1 LEU 42 OK 30 100 - 30 - 8919/3.1=6, 3.9/10897=5...(8) HB3 ASP 65 - QD1 LEU 42 OK 14 94 - 15 - 6669/4.7=3, 8919/3.1=2...(4) Peak 10595 from cnoeabs.peaks (2.62, 0.77, 21.93 ppm; 5.11 A): 2 out of 2 assignments used, quality = 0.83: HG3 MET 74 + QD2 LEU 42 OK 81 99 - 82 - 9599/2.1=26, 8917/3.1=15...(14) HB3 ASP 77 + QD2 LEU 42 OK 13 70 - 19 - 8917/3.1=4, 10596/2.1=4...(6) Peak 10596 from cnoeabs.peaks (2.62, 1.90, 26.36 ppm; 6.50 A): 2 out of 4 assignments used, quality = 0.97: HG3 MET 74 + HG LEU 42 OK 93 100 - 93 - 10595/2.1=41...(12) HB3 TYR 41 + HG LEU 42 OK 59 77 - 77 - 4.1/1927=31...(14) HB3 ASP 77 - HG LEU 42 OK 32 87 - 36 - 10595/2.1=7, 10594/2.1=7...(9) HB3 ASP 65 - HG LEU 42 OK 11 65 - 17 - 10594/2.1=3, 6669/4.9=3...(5) Peak 10597 from cnoeabs.peaks (3.87, 0.69, 25.64 ppm; 3.99 A): 6 out of 9 assignments used, quality = 0.94: HA LYS 40 + QD1 LEU 42 OK 45 100 - 45 - 1780/2.1=9, 10552/4.0=8...(10) HA LEU 38 + QD1 LEU 42 OK 45 97 - 47 - 3.0/12082=6, 3.6/8947=6...(17) HA GLU 43 + QD1 LEU 42 OK 44 73 - 61 - 2.9/6690=11, ~6688=8...(19) HA2 GLY 100 + QD1 LEU 42 OK 35 100 - 34 - 1.8/1936=8, ~1944=5...(10) HA LYS 94 + QD1 LEU 42 OK 28 100 - 28 - 3.0/10414=7, ~7511=3...(8) HB3 SER 49 + QD1 LEU 42 OK 26 92 - 29 - 3.0/9058=5, 9072/2.1=4...(9) HA ALA 67 - QD1 LEU 42 OK 12 84 - 14 - 2978/4.7=3, 8924/2.1=2...(4) HA LYS 12 - QD1 LEU 42 OK 10 87 - 12 - 8924/2.1=2, 8950/8966=1 HA2 GLY 101 - QD1 LEU 42 lone 8 100 - 8 - 4437/4.0=1 Peak 10598 from cnoeabs.peaks (3.88, 1.90, 26.36 ppm; 5.59 A): 3 out of 11 assignments used, quality = 0.98: HA GLU 43 + HG LEU 42 OK 80 97 - 83 - ~6688=18, 2.9/1934=17...(21) HA LEU 38 + HG LEU 42 OK 78 100 - 78 - 3.8/8921=33, 3.0/10551=8...(20) HA LYS 40 + HG LEU 42 OK 51 90 - 57 - 3.6/8882=11...(16) HA2 GLY 100 - HG LEU 42 OK 44 92 - 48 - 1.8/1928=11, ~1936=8...(9) HA GLU 35 - HG LEU 42 OK 34 90 - 38 - 3.6/1934=9, 3.0/10340=6...(12) HA LYS 94 - HG LEU 42 OK 32 92 - 35 - ~10414=9, ~7511=5...(8) HB3 SER 49 - HG LEU 42 OK 21 61 - 34 - ~9067=7, ~9058=6...(7) HA ARG 91 - HG LEU 42 OK 16 87 - 19 - ~9955=4, ~7435=4...(4) HA2 GLY 101 - HG LEU 42 lone 9 92 - 10 - 10597/2.1=1, 4437/4.3=1 HA3 GLY 101 - HG LEU 42 lone 7 70 - 10 - ~8970=2, ~8969=2...(4) HB2 SER 102 - HG LEU 42 lone 1 65 - 2 - Peak 10599 from cnoeabs.peaks (1.05, 0.77, 21.93 ppm; 3.97 A): 2 out of 3 assignments used, quality = 0.57: HG12 ILE 52 + QD2 LEU 42 OK 48 87 - 56 - 2.1/1948=9, 1.8/12083=7...(19) HG2 LYS 82 + QD2 LEU 42 OK 17 94 - 18 - 1.8/9762=3, 9760/2.1=2...(8) HB3 ARG 81 - QD2 LEU 42 lone 3 99 - 3 - Peak 10600 from cnoeabs.peaks (6.67, 0.77, 21.93 ppm; 3.65 A): 2 out of 2 assignments used, quality = 0.56: HD1 PHE 45 + QD2 LEU 42 OK 34 97 - 35 - 8928/4.0=10, 3.7/8923=5...(11) HD2 PHE 45 + QD2 LEU 42 OK 34 97 - 35 - 8928/4.0=10, 3.7/8923=5...(11) Peak 10601 from cnoeabs.peaks (4.55, 3.70, 58.24 ppm; 5.31 A): 0 out of 2 assignments used, low quality = 0.21: HA LYS 33 - HA LEU 42 OK 21 73 - 28 - 9244/10657=11...(7) HA ASP 77 - HA LEU 42 poor 8 61 - 13 - ~8919=3, ~6669=3...(4) Peak 10602 from cnoeabs.peaks (8.06, 3.70, 58.24 ppm; 5.06 A): 4 out of 6 assignments used, quality = 0.68: H SER 102 + HA LEU 42 OK 34 100 - 34 - 10113/3.0=23...(4) H LYS 90 + HA LEU 42 OK 29 81 - 36 - 7419/3.0=5, 4.1/1900=5...(10) H ILE 15 + HA LEU 42 OK 21 81 - 26 - 6214/4.0=4, 4.4/1902=4...(10) H GLU 17 + HA LEU 42 OK 13 100 - 13 - 5.1/10345=4, 4.6/6737=2 H LYS 13 - HA LEU 42 lone 7 77 - 9 - 8383/4.0=1 H GLU 75 - HA LEU 42 lone 3 73 - 5 - Peak 10603 from cnoeabs.peaks (1.66, 2.32, 36.31 ppm; 4.49 A): 6 out of 16 assignments used, quality = 0.74: HD2 LYS 39 + HG3 GLU 43 OK 29 92 - 32 - 3.0/10605=6, ~10578=6...(11) HB3 LYS 40 + HG3 GLU 43 OK 23 61 - 38 - ~1781=7, 4.3/6655=6...(13) HB2 LYS 40 + HG3 GLU 43 OK 23 65 - 35 - ~1781=7, 4.3/6655=6...(12) HB ILE 52 + HG3 GLU 43 OK 19 98 - 20 - 3.2/10607=5, 10645=3...(6) HB3 ARG 91 + HG3 GLU 43 OK 15 65 - 22 - 3.0/1985=3, 1.8/10604=2...(5) HG3 LYS 20 + HG3 GLU 43 OK 11 92 - 12 - 1.8/10604=2, 3.0/1986=1 HD3 LYS 20 - HG3 GLU 43 poor 10 92 - 11 - 2.8/10604=2, 3.5/1986=1 HD2 LYS 68 - HG3 GLU 43 poor 9 87 - 10 - 5.9/1984=3, 3.0/10605=2 HD2 LYS 20 - HG3 GLU 43 poor 9 84 - 10 - 2.8/10604=2, 3.5/1986=1 HD3 LYS 68 - HG3 GLU 43 poor 9 84 - 10 - 5.9/1984=3, 3.0/10605=2 HD2 LYS 47 - HG3 GLU 43 poor 8 73 - 12 - 8972/1990=1, 3.9/1986=1 HD3 LYS 47 - HG3 GLU 43 poor 8 70 - 12 - 8972/1990=1, 3.9/1986=1 HD2 LYS 73 - HG3 GLU 43 lone 3 100 - 3 - HB3 LEU 6 - HG3 GLU 43 lone 4 73 - 5 - 3.1/10607=2 HD3 LYS 73 - HG3 GLU 43 lone 3 100 - 3 - HB3 ARG 79 - HG3 GLU 43 lone 2 92 - 2 - Peak 10604 from cnoeabs.peaks (1.47, 2.32, 36.31 ppm; 4.49 A): 3 out of 14 assignments used, quality = 0.89: HG LEU 38 + HG3 GLU 43 OK 65 96 - 68 - 2.1/10606=11...(21) HB2 LEU 38 + HG3 GLU 43 OK 64 87 - 74 - 3.0/1624=11, 1.8/1987=10...(26) HG13 ILE 52 + HG3 GLU 43 OK 18 92 - 20 - 2.1/10607=6, 3.0/10603=3...(4) HD2 LYS 40 - HG3 GLU 43 OK 16 100 - 17 - 3.5/10603=4, 3.5/10603=4...(4) HD3 LYS 40 - HG3 GLU 43 OK 16 100 - 16 - 3.5/10603=4, 3.5/10603=4...(4) HB2 ARG 91 - HG3 GLU 43 OK 14 61 - 23 - 1.8/10603=3, 3.0/1985=3...(7) HG2 LYS 20 - HG3 GLU 43 OK 13 92 - 14 - 1.8/10603=2, 2.8/10603=2...(4) HG3 ARG 91 - HG3 GLU 43 OK 10 77 - 13 - 2.8/10603=3, 4.0/1985=2 HB2 LEU 27 - HG3 GLU 43 lone 5 92 - 6 - 1.8/10605=1 HD2 LYS 82 - HG3 GLU 43 lone 5 96 - 5 - 3.5/10605=1 HG2 LYS 53 - HG3 GLU 43 lone 3 99 - 3 - HG3 LYS 53 - HG3 GLU 43 lone 3 100 - 3 - HD2 LYS 53 - HG3 GLU 43 lone 3 96 - 3 - HG LEU 64 - HG3 GLU 43 lone 2 84 - 2 - Peak 10605 from cnoeabs.peaks (1.33, 2.32, 36.31 ppm; 4.59 A): 6 out of 10 assignments used, quality = 0.83: HB3 LEU 2 + HG3 GLU 43 OK 41 100 - 42 - 3.1/8055=16, 3.1/10606=8...(8) HG2 LYS 39 + HG3 GLU 43 OK 34 92 - 38 - 10572=6, 3.0/10603=5...(11) HG2 LYS 94 + HG3 GLU 43 OK 28 99 - 29 - 10531/1.8=4, 2.9/1986=3...(14) QB ALA 67 + HG3 GLU 43 OK 19 100 - 19 - 3.6/1984=5, 2985/5.0=3...(7) HG LEU 14 + HG3 GLU 43 OK 13 77 - 17 - 2.1/10607=5, 3.0/1986=3 HG3 LYS 68 + HG3 GLU 43 OK 12 81 - 14 - 4.6/1984=4, 3.0/10603=2...(6) QB ALA 89 - HG3 GLU 43 lone 9 99 - 9 - 10531/1.8=1, 9933/3.0=1 HB2 LYS 82 - HG3 GLU 43 lone 6 96 - 7 - HB3 LEU 27 - HG3 GLU 43 lone 5 94 - 6 - QB ALA 25 - HG3 GLU 43 lone 5 99 - 5 - 9603/10280=1 Peak 10606 from cnoeabs.peaks (0.81, 2.32, 36.31 ppm; 4.17 A): 5 out of 9 assignments used, quality = 0.84: QD2 LEU 38 + HG3 GLU 43 OK 46 73 - 63 - 2.1/10604=9, 3.8/1624=8...(20) QD2 LEU 2 + HG3 GLU 43 OK 42 100 - 43 - 2.1/8055=16, 10608/3.0=8...(7) QD2 LEU 70 + HG3 GLU 43 OK 23 100 - 23 - 10608/3.0=5, 10526/1.8=3...(7) QD1 ILE 76 + HG3 GLU 43 OK 21 98 - 21 - 10608/3.0=5, ~9663=3...(7) QD1 LEU 70 + HG3 GLU 43 OK 18 94 - 19 - 10608/3.0=4, ~10608=3...(5) QG2 ILE 15 - HG3 GLU 43 lone 8 100 - 8 - 10608/3.0=2 QG2 ILE 7 - HG3 GLU 43 lone 7 96 - 8 - 10608/3.0=1 QD2 LEU 57 - HG3 GLU 43 lone 6 90 - 6 - 10608/3.0=1 QD2 LEU 103 - HG3 GLU 43 lone 2 57 - 3 - Peak 10607 from cnoeabs.peaks (0.70, 2.32, 36.31 ppm; 4.23 A): 4 out of 9 assignments used, quality = 0.58: QD1 ILE 8 + HG3 GLU 43 OK 25 99 - 25 - 12202/3.0=4, 8308/1.8=4...(9) QD1 LEU 42 + HG3 GLU 43 OK 22 70 - 32 - 6690/5.0=6, 4.7/6668=5...(11) QD1 ILE 52 + HG3 GLU 43 OK 17 90 - 19 - 3.2/10603=3, 6690/5.0=3...(5) QD2 LEU 14 + HG3 GLU 43 OK 14 100 - 14 - 2.1/10605=2, 3.1/1986=2 QD1 ILE 56 - HG3 GLU 43 lone 9 100 - 9 - 8308/1.8=2, 12202/3.0=2 HG13 ILE 56 - HG3 GLU 43 lone 6 94 - 7 - ~8308=1, ~12202=1 QG1 VAL 58 - HG3 GLU 43 lone 6 77 - 8 - 9381/1.8=1 QD2 LEU 6 - HG3 GLU 43 lone 5 61 - 8 - 6690/5.0=2, 2.1/8228=1 QG2 VAL 78 - HG3 GLU 43 lone 1 73 - 2 - Peak 10608 from cnoeabs.peaks (0.80, 2.06, 29.24 ppm; 3.90 A): 5 out of 8 assignments used, quality = 0.66: QD2 LEU 2 + HB3 GLU 43 OK 29 97 - 30 - ~8055=7, 10606/3.0=6...(9) QD1 ILE 76 + HB3 GLU 43 OK 19 100 - 19 - 10606/3.0=3, 2.1/9664=2...(8) QD2 LEU 70 + HB3 GLU 43 OK 19 98 - 19 - 10606/3.0=3, 9541/3.0=2...(5) QG2 ILE 8 + HB3 GLU 43 OK 16 77 - 21 - 3.0/12202=3, 2.1/1972=3...(9) QD1 LEU 70 + HB3 GLU 43 OK 13 81 - 16 - 10606/3.0=3, ~10606=2...(7) QG2 ILE 15 - HB3 GLU 43 lone 7 96 - 7 - 4.4/6237=1, 10606/3.0=1 QD2 LEU 57 - HB3 GLU 43 lone 5 98 - 5 - QG2 ILE 7 - HB3 GLU 43 lone 5 100 - 5 - 10606/3.0=1 Peak 10609 from cnoeabs.peaks (0.81, 3.88, 59.12 ppm; 3.45 A): 13 out of 27 assignments used, quality = 0.94: QD1 ILE 76 + HA ARG 91 OK 31 87 - 35 - 3453/4.0=6, 2.1/4016=4...(12) QD2 LEU 38 + HA GLU 43 OK 30 73 - 41 - 2.1/1659=5, 10606/3.7=5...(17) QD2 LEU 70 + HA GLU 35 OK 22 92 - 24 - 10278/3.0=6, 9541=2...(10) QD1 LEU 70 + HA GLU 35 OK 21 83 - 25 - ~10278=3, 9549/3.0=3...(11) QD2 LEU 2 + HA GLU 43 OK 21 100 - 21 - 10608/3.0=6, 10606/3.7=4...(5) QD2 LEU 2 + HA GLU 35 OK 20 92 - 22 - 8057/3.0=4, 2.1/10124=3...(9) QD1 ILE 76 + HA GLU 43 OK 19 98 - 19 - 10608/3.0=4, 10606/3.7=2...(6) QD2 LEU 70 + HA GLU 43 OK 18 100 - 18 - 10608/3.0=4, 10606/3.7=2...(6) QD2 LEU 38 + HA GLU 35 OK 18 62 - 29 - 4.5/12057=4, 2.1/10168=4...(14) QD1 LEU 70 + HA GLU 43 OK 16 94 - 17 - 10608/3.0=3, ~10608=2...(7) QD2 LEU 57 + HA ARG 91 OK 15 77 - 19 - 2.1/10698=4, 9983/3.6=4...(4) QD2 LEU 38 + HA ARG 91 OK 13 61 - 22 - 2.1/10168=3, ~12070=2...(11) QD2 LEU 57 + HA GLU 35 OK 11 78 - 15 - 2.1/10698=4, ~8775=2...(5) QG2 ILE 15 - HA ARG 91 poor 9 90 - 10 - ~7437=3, ~3989=1 QD1 ILE 76 - HA GLU 35 poor 9 88 - 10 - 10538/3.6=1 QG2 ILE 15 - HA GLU 43 lone 9 100 - 9 - 4.4/1958=2, 10608/3.0=1 QD2 LEU 2 - HA ARG 91 lone 8 91 - 9 - 2.1/10124=1 QD2 LEU 57 - HA GLU 43 lone 6 90 - 7 - 2.1/10698=1, 10608/3.0=1 QD2 LEU 70 - HA ARG 91 lone 5 91 - 6 - QG2 ILE 7 - HA GLU 43 lone 5 96 - 5 - QG2 ILE 15 - HA GLU 35 lone 4 91 - 5 - QD1 LEU 70 - HA ARG 91 lone 4 82 - 5 - QG2 ILE 7 - HA ARG 91 lone 3 84 - 4 - QG2 ILE 7 - HA GLU 35 lone 2 85 - 3 - QD2 LEU 103 - HA GLU 35 lone 2 48 - 4 - 10538/3.6=1 QD2 LEU 103 - HA GLU 43 lone 1 57 - 3 - QD2 LEU 103 - HA ARG 91 lone 1 47 - 2 - Peak 10611 from cnoeabs.peaks (1.34, 4.08, 58.43 ppm; 4.70 A): 4 out of 20 assignments used, quality = 0.93: QB ALA 67 + HA LYS 66 OK 72 100 - 73 - 3.6/7102=17, ~7077=13...(11) HG3 LYS 68 + HA LYS 66 OK 43 92 - 48 - 4.6/7102=14, 2.9/2873=5...(13) HB3 LEU 27 + HA LYS 66 OK 35 99 - 35 - 1203/3.0=6, ~1195=4...(13) HG LEU 14 + HA LYS 66 OK 29 90 - 33 - 2.1/9512=7, ~10412=6...(8) HB2 LYS 82 - HA LYS 66 OK 25 99 - 25 - 3651/3.0=3, 9505/3.0=3...(10) HG2 LYS 94 - HA LYS 66 OK 23 100 - 23 - 7095/3.6=4, 3.0/2876=3...(8) HB3 LEU 2 - HA LYS 66 OK 22 98 - 23 - 3.1/9513=3, 9505/3.0=3...(10) HG2 LYS 39 - HA LYS 66 OK 21 98 - 21 - 9505/3.0=2, 7095/3.6=2...(7) HG2 LYS 39 - HA ARG 46 OK 20 76 - 27 - ~12073=4, ~2072=3...(11) QB ALA 25 - HA LYS 66 OK 18 100 - 18 - ~7062=5, 9505/3.0=3...(5) QB ALA 89 - HA LYS 66 OK 17 100 - 17 - ~7061=3, ~2884=2...(5) QB ALA 67 - HA ARG 46 OK 17 79 - 21 - 2.9/7085=8, 3.6/7102=7 HG3 LYS 68 - HA ARG 46 OK 12 68 - 17 - 4.6/7102=6, 2.9/2873=1...(5) HB3 LEU 2 - HA ARG 46 poor 8 76 - 10 - ~10614=2, 3.1/9025=1 QB ALA 25 - HA ARG 46 lone 7 80 - 9 - 8623/3.0=1, 8623/3.0=1 HG LEU 14 - HA ARG 46 poor 7 66 - 11 - 2.1/9027=2, 2.1/9512=2, ~8474=1 QB ALA 89 - HA ARG 46 lone 5 80 - 7 - HG2 LYS 94 - HA ARG 46 lone 5 80 - 6 - HB2 LYS 82 - HA ARG 46 lone 4 78 - 5 - HB3 LEU 27 - HA ARG 46 lone 4 77 - 5 - Peak 10612 from cnoeabs.peaks (2.65, 4.07, 58.19 ppm; 5.16 A): 7 out of 8 assignments used, quality = 0.82: HB3 ASP 65 + HA LYS 66 OK 60 78 - 77 - ~7066=34, 7067/3.0=33...(10) HD3 ARG 91 + HA ARG 46 OK 15 70 - 22 - 4.8/10174=5, 4071/3.6=5...(7) HB3 ASP 65 + HA ARG 46 OK 14 99 - 14 - 4.6/7068=7, 9538/7119=2 HB3 TYR 41 + HA LYS 66 OK 13 74 - 18 - 7067/3.0=5, ~7061=3...(6) HB3 TYR 41 + HA ARG 46 OK 12 97 - 12 - ~6740=5 HB3 ASP 77 + HA LYS 66 OK 11 68 - 16 - 7067/3.0=8, 9680/3.6=2...(4) HB3 ASP 77 + HA ARG 46 OK 10 92 - 11 - 1.8/2064=2, ~2074=1...(5) HD3 ARG 91 - HA LYS 66 poor 7 48 - 15 - 4073/3.7=2, 4073/3.7=2 Peak 10613 from cnoeabs.peaks (2.97, 1.96, 29.74 ppm; 5.25 A): 4 out of 10 assignments used, quality = 0.77: HE2 LYS 47 + HB3 ARG 46 OK 36 97 - 37 - 6.6/2085=7, ~12306=5...(14) HE3 LYS 47 + HB3 ARG 46 OK 36 97 - 37 - 6.6/2085=7, ~12306=5...(14) HB3 PHE 45 + HB3 ARG 46 OK 28 100 - 28 - 4.5/2077=22, 6776/4.7=4 HB2 PHE 45 + HB3 ARG 46 OK 20 73 - 27 - 4.5/2077=22, 6777/4.7=3 HE3 LYS 24 - HB3 ARG 46 lone 10 99 - 10 - 6777/4.7=2 HE2 LYS 24 - HB3 ARG 46 lone 10 99 - 10 - 6777/4.7=2 HE2 LYS 13 - HB3 ARG 46 lone 7 97 - 7 - 6776/4.7=2 HE3 LYS 13 - HB3 ARG 46 lone 6 94 - 7 - 6777/4.7=2 HE3 LYS 12 - HB3 ARG 46 lone 6 100 - 6 - HE2 LYS 73 - HB3 ARG 46 lone 3 73 - 4 - Peak 10615 from cnoeabs.peaks (3.93, 1.62, 25.00 ppm; 4.90 A): 3 out of 5 assignments used, quality = 0.87: HA GLU 44 + HG3 LYS 47 OK 71 98 - 73 - 1999/3.0=18, 1998/4.9=17...(18) HA TYR 41 + HG3 LYS 47 OK 38 99 - 39 - 2133/3.0=7, 6758/4.9=5...(13) HB3 SER 9 + HG3 LYS 47 OK 26 99 - 26 - 2133/3.0=5, 6758/4.9=4...(7) HB2 SER 97 - HG3 LYS 47 lone 5 61 - 8 - 4182/4176=2, 2133/3.0=1 HA GLU 63 - HG3 LYS 47 lone 4 70 - 5 - 10616/1.8=1 Peak 10616 from cnoeabs.peaks (3.92, 1.49, 25.00 ppm; 5.03 A): 5 out of 18 assignments used, quality = 0.75: HA GLU 44 + HG2 LYS 47 OK 40 61 - 65 - 10615/1.8=14...(17) HA TYR 41 + HG2 LYS 47 OK 33 94 - 35 - 10615/1.8=7, 12106/3.8=4...(12) HB3 SER 9 + HG2 LYS 47 OK 23 96 - 23 - 10615/1.8=5, 12105/3.8=3...(8) HA TYR 41 + HG2 LYS 73 OK 12 94 - 12 - 10588/3.0=1, 1872/4.9=1 HB3 SER 9 + HG3 LYS 13 OK 11 79 - 13 - ~8321=3, 8326/3.0=2...(4) HA GLU 63 - HG2 LYS 47 lone 8 99 - 8 - 3.0/10747=1 HA GLU 63 - HG2 LYS 73 lone 7 99 - 7 - HB2 SER 85 - HG2 LYS 47 lone 5 77 - 7 - ~9866=2 HA GLU 63 - HG3 LYS 13 lone 5 85 - 6 - HA GLU 44 - HG2 LYS 73 lone 5 61 - 8 - 4.0/10798=1 HA GLU 44 - HG3 LYS 13 poor 5 47 - 10 - 4.0/10798=2 HB2 SER 85 - HG3 LYS 13 lone 4 61 - 7 - ~9866=2 HA TYR 41 - HG3 LYS 13 lone 4 77 - 5 - HA ALA 89 - HG2 LYS 47 lone 4 70 - 6 - HB3 SER 9 - HG2 LYS 73 lone 3 95 - 3 - HB2 SER 85 - HG2 LYS 73 lone 2 77 - 3 - HA ALA 89 - HG2 LYS 73 lone 2 69 - 4 - HA ALA 89 - HG3 LYS 13 lone 2 54 - 3 - Peak 10617 from cnoeabs.peaks (2.92, 2.30, 29.70 ppm; 5.76 A): 3 out of 9 assignments used, quality = 0.69: HB2 ASN 10 + HB2 GLU 48 OK 61 96 - 65 - 8354/3.0=15, 8360/3.0=13...(11) HE3 LYS 20 + HB2 GLU 48 OK 11 97 - 11 - 3.0/12315=3, 3.6/12315=2...(4) HE2 LYS 20 + HB2 GLU 48 OK 11 96 - 11 - 3.0/12315=3, 3.6/12315=2...(4) HE3 LYS 90 - HB2 GLU 48 poor 7 73 - 10 - ~12232=3, ~12236=3, 12281/3.0=1 HE2 LYS 68 - HB2 GLU 48 lone 5 92 - 6 - 3.0/12315=1, 3.0/12315=1 HE3 LYS 68 - HB2 GLU 48 lone 5 87 - 6 - 3.0/12315=1, 3.0/12315=1 HE2 LYS 94 - HB2 GLU 48 lone 3 100 - 3 - HE3 LYS 94 - HB2 GLU 48 lone 3 94 - 3 - HE3 LYS 66 - HB2 GLU 48 lone 2 61 - 3 - Peak 10619 from cnoeabs.peaks (3.86, 4.43, 55.95 ppm; 5.04 A): 4 out of 9 assignments used, quality = 0.88: HB3 SER 49 + HA GLU 48 OK 77 100 - 77 - 3.9/6798=28, ~10189=19...(9) HA LYS 40 + HA GLU 48 OK 26 97 - 26 - 10622/3.0=5, 6805/3.6=4...(10) HA LYS 12 + HA GLU 48 OK 20 100 - 20 - 2.9/12314=9, 6805/3.6=4...(5) HA LYS 94 + HA GLU 48 OK 16 96 - 17 - 10622/3.0=4, ~6783=3...(5) HA LEU 38 - HA GLU 48 poor 8 73 - 10 - 10622/3.0=2, ~6592=2, 6805/3.6=2 HA ALA 71 - HA GLU 48 lone 7 87 - 8 - 10837/3434=2, 6805/3.6=1 HA2 GLY 100 - HA GLU 48 lone 6 96 - 6 - 10622/3.0=1 HA2 GLY 101 - HA GLU 48 lone 6 96 - 6 - ~10103=1, 10622/3.0=1 HA ALA 67 - HA GLU 48 lone 6 99 - 6 - 6805/3.6=1 Peak 10620 from cnoeabs.peaks (4.53, 2.30, 29.70 ppm; 5.15 A): 2 out of 3 assignments used, quality = 0.70: HA PHE 45 + HB2 GLU 48 OK 50 97 - 52 - 10190/4.0=18...(11) HA LYS 33 + HB2 GLU 48 OK 39 97 - 40 - 10190/4.0=15...(8) HA PHE 96 - HB2 GLU 48 poor 9 77 - 11 - 10181/3.0=5, 10182/3.0=2 Peak 10623 from cnoeabs.peaks (7.04, 2.43, 35.74 ppm; 6.05 A): 0 out of 6 assignments used, low quality = 0.00: HD1 PHE 96 - HG3 GLU 48 lone 9 99 - 9 - 4.3/10181=5 HD2 PHE 96 - HG3 GLU 48 lone 9 99 - 9 - 4.2/10181=5 HD1 PHE 96 - HG3 GLU 17 lone 6 82 - 7 - 4.3/10181=2, 8073/8095=1 HD2 PHE 96 - HG3 GLU 17 lone 5 81 - 7 - 4.2/10181=2, 8073/8095=1 HD1 PHE 96 - HG3 GLU 99 lone 5 47 - 10 - 4.3/10181=5, 8073/8095=2 HD2 PHE 96 - HG3 GLU 99 lone 4 46 - 10 - 4.2/10181=5, 8073/8095=2 Peak 10624 from cnoeabs.peaks (6.91, 2.43, 33.91 ppm; 5.47 A): 1 out of 2 assignments used, quality = 0.98: HE21 GLN 50 + HG3 GLN 50 OK 98 98 - 100 - 3.5=100 HE21 GLN 50 - HG2 GLN 72 OK 34 74 - 46 - 3.5/2302=8, 4.5/2286=8...(9) Peak 10625 from cnoeabs.peaks (6.92, 2.40, 33.91 ppm; 5.28 A): 1 out of 1 assignment used, quality = 1.00: HE21 GLN 50 + HG2 GLN 50 OK 100 100 - 100 - 3.5=100 Peak 10626 from cnoeabs.peaks (0.86, 2.43, 33.91 ppm; 5.27 A): 4 out of 6 assignments used, quality = 0.62: QD1 LEU 38 + HG3 GLN 50 OK 29 100 - 30 - 12293/2.9=17, ~9098=6...(4) QD1 LEU 103 + HG3 GLN 50 OK 21 100 - 21 - 12293/2.9=11, ~9098=4...(4) QD2 LEU 64 + HG2 GLN 72 OK 18 78 - 23 - 8385/3.9=8, 2841/4.8=6...(5) QD2 LEU 64 + HG3 GLN 50 OK 17 100 - 17 - 12293/2.9=10...(3) QD1 LEU 38 - HG2 GLN 72 lone 4 78 - 5 - 8385/3.9=2 QD1 LEU 103 - HG2 GLN 72 lone 4 78 - 5 - 8385/3.9=1 Peak 10629 from cnoeabs.peaks (0.87, 2.02, 28.95 ppm; 4.90 A): 6 out of 7 assignments used, quality = 0.79: QD1 LEU 2 + HB2 GLN 50 OK 51 96 - 53 - 2.1/8057=15, 9093/4.5=13...(8) QD1 LEU 38 + HB2 GLN 50 OK 21 81 - 26 - 12293/1.8=10...(6) QD1 LEU 103 + HB2 GLN 50 OK 17 92 - 18 - 12293/1.8=7, 10626/2.9=5...(4) QG2 ILE 76 + HB2 GLN 50 OK 15 94 - 16 - 9093/4.5=4, 9091/4.5=4...(4) QD2 LEU 64 + HB2 GLN 50 OK 14 87 - 16 - 12293/1.8=6, 10626/2.9=4...(5) HG13 ILE 8 + HB2 GLN 50 OK 14 84 - 16 - 2.1/9103=5, 9093/4.5=2...(6) HG13 ILE 7 - HB2 GLN 50 lone 5 61 - 8 - 9093/4.5=2, 9091/4.5=2 Peak 10631 from cnoeabs.peaks (0.87, 2.67, 39.58 ppm; 5.27 A): 2 out of 6 assignments used, quality = 0.72: QD1 LEU 2 + HB3 ASN 51 OK 49 87 - 57 - ~10128=16, 10127/3.5=15...(9) QG2 ILE 76 + HB3 ASN 51 OK 45 84 - 53 - 2.1/10634=21, 3.2/9116=8...(12) HG13 ILE 8 - HB3 ASN 51 poor 9 70 - 14 - 3.1/9116=4, ~10636=3...(4) QD1 LEU 38 - HB3 ASN 51 lone 6 92 - 7 - ~9121=1, ~9169=1 QD1 LEU 103 - HB3 ASN 51 lone 4 98 - 4 - QD2 LEU 64 - HB3 ASN 51 lone 3 96 - 3 - Peak 10632 from cnoeabs.peaks (2.30, 2.95, 39.58 ppm; 5.10 A): 2 out of 6 assignments used, quality = 0.69: HB2 GLU 48 + HB2 ASN 51 OK 62 100 - 62 - 9114/1.8=26, 3.0/9132=10...(12) HG3 GLU 16 + HB2 ASN 51 OK 18 100 - 18 - 9114/1.8=7, 1.8/12281=5, ~9123=3 HG2 GLU 63 - HB2 ASN 51 lone 5 100 - 5 - 9114/1.8=2 HD3 ARG 81 - HB2 ASN 51 lone 5 87 - 5 - 9114/1.8=2 HB2 TYR 41 - HB2 ASN 51 lone 4 65 - 7 - 9114/1.8=3, 9123/3.5=1 HB2 TYR 4 - HB2 ASN 51 lone 3 99 - 3 - 9114/1.8=1 Peak 10633 from cnoeabs.peaks (2.43, 2.95, 39.58 ppm; 5.29 A): 3 out of 7 assignments used, quality = 0.93: HG3 MET 1 + HB2 ASN 51 OK 71 90 - 80 - 4.2/9131=23, ~8032=23...(12) HG3 GLU 48 + HB2 ASN 51 OK 64 100 - 64 - 3.0/10632=23, ~9114=18...(9) HG3 GLN 50 + HB2 ASN 51 OK 32 100 - 32 - 2312/4.0=14, 5.1/2320=7...(7) HG3 GLU 17 - HB2 ASN 51 OK 25 100 - 25 - 3.0/9111=4, 6832/4.0=4...(12) HG2 GLN 72 - HB2 ASN 51 OK 14 99 - 14 - 6832/4.0=5, 3.9/9131=3, 6/9131=1 HG3 GLU 99 - HB2 ASN 51 lone 6 94 - 6 - 6832/4.0=2, 2235/10632=1 HB2 ASP 11 - HB2 ASN 51 lone 6 100 - 6 - 6832/4.0=2 Peak 10634 from cnoeabs.peaks (1.65, 2.67, 39.58 ppm; 5.50 A): 2 out of 10 assignments used, quality = 0.62: HB ILE 76 + HB3 ASN 51 OK 56 100 - 56 - 2.1/10631=16, 3.2/9116=9...(11) HD3 LYS 73 + HB3 ASN 51 OK 14 65 - 21 - 5.1/9134=3, 3.0/2329=2...(8) HB3 ARG 79 - HB3 ASN 51 lone 6 97 - 6 - HB3 LEU 6 - HB3 ASN 51 lone 5 100 - 5 - ~10636=1 HG2 LYS 68 - HB3 ASN 51 lone 4 99 - 4 - HD2 LYS 39 - HB3 ASN 51 lone 3 97 - 3 - HD3 LYS 39 - HB3 ASN 51 lone 3 98 - 3 - HD3 LYS 68 - HB3 ASN 51 lone 3 99 - 3 - HD2 LYS 68 - HB3 ASN 51 lone 3 99 - 3 - HB2 LYS 40 - HB3 ASN 51 lone 3 100 - 3 - Peak 10636 from cnoeabs.peaks (0.78, 2.95, 39.58 ppm; 5.29 A): 6 out of 9 assignments used, quality = 0.87: QG2 ILE 52 + HB2 ASN 51 OK 57 99 - 57 - 4.0/2326=31, 9107/4.0=14...(10) QD1 ILE 76 + HB2 ASN 51 OK 32 65 - 48 - ~10634=13, ~10631=10...(8) QD2 LEU 57 + HB2 ASN 51 OK 22 84 - 26 - ~9121=6, 9116/1.8=5...(7) QG2 ILE 8 + HB2 ASN 51 OK 22 99 - 22 - 6861/4.6=5, 9107/4.0=4...(7) QD1 ILE 93 + HB2 ASN 51 OK 18 84 - 22 - 9107/4.0=4, 10024=4...(6) QG2 ILE 7 + HB2 ASN 51 OK 12 73 - 16 - 9116/1.8=3, ~9126=3...(5) QD1 LEU 6 - HB2 ASN 51 poor 10 87 - 11 - 6861/4.6=4, 9107/4.0=2...(4) QD2 LEU 42 - HB2 ASN 51 poor 8 73 - 12 - 6861/4.6=4, 9107/4.0=2 QD1 LEU 27 - HB2 ASN 51 lone 5 81 - 7 - 9107/4.0=2, 6861/4.6=2 Peak 10637 from cnoeabs.peaks (5.02, 0.78, 17.78 ppm; 5.40 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10639 from cnoeabs.peaks (1.53, 5.33, 59.69 ppm; 5.17 A): 4 out of 20 assignments used, quality = 1.00: HG12 ILE 56 + HA THR 80 OK 91 100 - 91 - 2.9/9302=32, ~9734=23...(19) HG2 ARG 79 + HA THR 80 OK 76 99 - 76 - ~7299=13, 3540/2.9=13...(21) HG3 ARG 79 + HA THR 80 OK 75 99 - 76 - ~7299=13, 3540/2.9=13...(21) HB2 LEU 14 + HA THR 80 OK 75 96 - 79 - ~10403=14, ~10402=13...(20) HG LEU 2 - HA THR 80 OK 41 77 - 53 - 3.0/8046=15, 3.0/8047=15...(12) HG3 ARG 30 - HA THR 80 OK 35 100 - 35 - ~10919=14, 7302/2.9=6...(7) HB ILE 7 - HA THR 80 OK 28 96 - 29 - ~10373=12, 12206/3.2=3...(7) HG LEU 2 - HA ILE 52 OK 26 36 - 72 - 3.0/8046=25, 3.0/8047=21...(11) HG LEU 6 - HA ILE 52 OK 25 53 - 46 - 216/3.6=8, 215/3.2=5...(13) HG12 ILE 56 - HA ILE 52 OK 24 55 - 42 - 2.9/9302=12, 3.2/9307=11...(10) HG LEU 6 - HA THR 80 OK 21 99 - 22 - 2565/9302=2, 12206/3.2=2...(9) HB3 LEU 103 - HA THR 80 OK 15 97 - 15 - ~9723=3, 12206/3.2=2...(5) HB ILE 7 - HA ILE 52 OK 11 49 - 22 - 241/3.6=5, ~9153=3...(7) HB2 LEU 14 - HA ILE 52 poor 10 49 - 20 - 595/3565=1, 12206/3570=1...(4) HG2 ARG 79 - HA ILE 52 poor 8 54 - 14 - 3540/7305=2, 4.7/11126=1 HG3 ARG 79 - HA ILE 52 poor 7 53 - 14 - 3540/7305=2, 4.7/11126=1 HG3 ARG 30 - HA ILE 52 poor 6 56 - 11 - ~6856=3, ~8721=1, 8027/8033=1 HB3 LEU 103 - HA ILE 52 lone 3 51 - 6 - HG2 LYS 33 - HA THR 80 lone 2 65 - 3 - HG2 LYS 33 - HA ILE 52 lone 1 30 - 3 - Peak 10640 from cnoeabs.peaks (0.89, 0.69, 14.38 ppm; 3.86 A): 5 out of 5 assignments used, quality = 0.87: QD1 LEU 2 + QD1 ILE 52 OK 54 92 - 59 - 8049/4.1=14, ~8051=10...(11) HG13 ILE 8 + QD1 ILE 52 OK 42 99 - 42 - 316/3.1=4, 3.1/2377=4...(20) QG2 ILE 76 + QD1 ILE 52 OK 32 94 - 34 - 10877=7, 2.1/9646=3...(13) HG13 ILE 7 + QD1 ILE 52 OK 17 100 - 17 - 4.5/2381=4, 9153/4.8=2 QG1 VAL 32 + QD1 ILE 52 OK 12 77 - 16 - 4.0/2381=2, 9153/4.8=2...(6) Peak 10641 from cnoeabs.peaks (2.04, 1.46, 27.19 ppm; 3.92 A): 5 out of 30 assignments used, quality = 0.81: HB3 GLU 48 + HG13 ILE 52 OK 60 100 - 61 - 9177/2.1=12, ~9176=7...(16) HB2 MET 21 + HG13 ILE 52 OK 23 98 - 23 - ~9167=4, 9177/2.1=4...(10) HB3 GLU 99 + HG13 ILE 52 OK 16 97 - 16 - 9177/2.1=3, ~9177=2...(6) HB2 GLU 99 + HG13 ILE 52 OK 14 100 - 14 - 9177/2.1=3, ~9177=2...(6) HG12 ILE 93 + HG13 ILE 52 OK 14 97 - 14 - 9177/2.1=3, 10643/3.2=2...(5) HB3 GLU 98 - HG13 ILE 52 lone 10 100 - 9 - 9177/2.1=2, ~9177=2, 10643/3.2=1 HB2 GLU 98 - HG13 ILE 52 lone 10 100 - 9 - 9177/2.1=2, ~9177=2, 10643/3.2=1 HB2 MET 74 - HG LEU 38 poor 8 54 - 15 - ~3344=2, ~10548=2...(8) HB2 MET 74 - HG13 ILE 52 lone 6 65 - 9 - ~12317=2, ~9615=2, ~9598=2 HB3 GLU 48 - HG LEU 38 lone 4 90 - 4 - HG12 ILE 93 - HG LEU 38 lone 3 85 - 4 - HB2 MET 21 - HG LEU 38 lone 3 87 - 3 - HG3 GLU 28 - HG LEU 38 lone 2 50 - 5 - HG2 GLU 28 - HG LEU 38 lone 2 50 - 5 - HG3 GLU 28 - HG13 ILE 52 lone 2 61 - 4 - HG2 GLU 28 - HG13 ILE 52 lone 2 61 - 4 - HB2 GLU 98 - HG3 ARG 91 lone 2 48 - 4 - HB3 GLU 98 - HG3 ARG 91 lone 2 48 - 4 - HB2 MET 21 - HG3 ARG 91 lone 2 45 - 5 - 4.0/6326=1 HB3 GLU 48 - HG3 ARG 91 lone 2 48 - 4 - HB2 GLU 99 - HG3 ARG 91 lone 1 48 - 3 - HB3 GLU 99 - HG3 ARG 91 lone 1 44 - 3 - HB2 GLU 99 - HG LEU 38 lone 1 91 - 1 - HB3 GLU 99 - HG LEU 38 lone 1 85 - 1 - HB2 GLU 98 - HG LEU 38 lone 1 91 - 1 - HB3 GLU 98 - HG LEU 38 lone 1 91 - 1 - HG12 ILE 93 - HG3 ARG 91 lone 1 44 - 2 - HB2 MET 74 - HG3 ARG 91 lone 1 25 - 3 - HG2 GLU 28 - HG3 ARG 91 lone 0 24 - 1 - HG3 GLU 28 - HG3 ARG 91 lone 0 24 - 1 - Peak 10642 from cnoeabs.peaks (2.30, 1.46, 27.19 ppm; 5.54 A): 3 out of 18 assignments used, quality = 0.95: HB2 GLU 48 + HG13 ILE 52 OK 85 100 - 86 - 1.8/10641=15, ~9177=15...(19) HB2 TYR 4 + HG13 ILE 52 OK 44 99 - 44 - 3.7/9146=10, 3.7/9146=10...(11) HD3 ARG 81 + HG13 ILE 52 OK 43 87 - 49 - ~3622=7, 10645/3.0=6...(12) HG2 GLU 63 - HG13 ILE 52 OK 32 100 - 32 - 10424/2.1=6, 10425/3.2=6...(7) HB2 TYR 41 - HG LEU 38 OK 30 54 - 56 - ~8875=30, ~10548=16...(7) HB2 TYR 41 - HG13 ILE 52 OK 28 65 - 43 - 9176/2.1=7, ~8877=7...(9) HG3 GLU 16 - HG LEU 38 OK 24 91 - 26 - 10426/2.1=4, ~12063=2...(11) HG3 GLU 16 - HG13 ILE 52 OK 20 100 - 20 - 10425/3.2=4, 10424/2.1=4...(6) HD3 ARG 81 - HG LEU 38 OK 18 74 - 24 - 9746/2.1=6, ~9744=4...(7) HB2 GLU 48 - HG LEU 38 OK 10 91 - 12 - 10549/2.1=1, 1.8/10641=1 HG2 GLU 63 - HG LEU 38 OK 10 91 - 11 - 10426/2.1=2, ~10746=1 HB2 TYR 4 - HG LEU 38 lone 7 88 - 8 - 3.7/9146=1, 3.7/9146=1 HB2 GLU 48 - HG3 ARG 91 poor 6 48 - 12 - 9030/4.8=3, 12315/2.8=2 HG3 GLU 16 - HG3 ARG 91 lone 3 48 - 7 - 5.1/8473=1 HD3 ARG 81 - HG3 ARG 91 lone 2 37 - 6 - 9749/4.8=2 HB2 TYR 4 - HG3 ARG 91 lone 2 46 - 4 - HG2 GLU 63 - HG3 ARG 91 lone 2 48 - 4 - HB2 TYR 41 - HG3 ARG 91 lone 1 25 - 5 - Peak 10643 from cnoeabs.peaks (2.04, 0.78, 17.78 ppm; 4.23 A): 8 out of 18 assignments used, quality = 0.93: HB3 GLU 48 + QG2 ILE 52 OK 67 96 - 70 - 9177/3.1=12, 1.8/9039=11...(17) HB2 MET 21 + QG2 ILE 52 OK 31 90 - 34 - 1.8/9167=8, 3.0/9167=6...(14) HB2 GLN 50 + QG2 ILE 52 OK 26 73 - 35 - 4.6/9107=8, 2.9/9167=7...(7) HG12 ILE 93 + QG2 ILE 52 OK 20 100 - 20 - 9177/3.1=3, 10641/3.2=2...(7) HB3 GLU 99 + QG2 ILE 52 OK 19 100 - 19 - 9177/3.1=3, 10641/3.2=2...(9) HB2 GLU 99 + QG2 ILE 52 OK 17 99 - 17 - 9177/3.1=3, 10641/3.2=2...(7) HB3 GLU 98 + QG2 ILE 52 OK 12 99 - 12 - 9177/3.1=2, 10641/3.2=2...(4) HB2 GLU 98 + QG2 ILE 52 OK 12 99 - 12 - 9177/3.1=2, 10641/3.2=2...(5) HB3 GLU 48 - QG2 ILE 8 poor 9 40 - 21 - ~9038=3, 1.8/9039=3...(9) HB3 LYS 94 - QG2 ILE 8 poor 4 25 - 17 - ~11008=5, ~8306=1...(4) HB3 LYS 94 - QG2 ILE 52 lone 4 70 - 6 - 3.0/9165=1, 4.0/7511=1 HB2 GLN 50 - QG2 ILE 8 poor 3 27 - 12 - 4.6/9107=3, 9103/3.0=2...(7) HB2 MET 21 - QG2 ILE 8 lone 2 36 - 5 - 967/4.0=2 HG12 ILE 93 - QG2 ILE 8 lone 2 45 - 4 - HB3 GLU 99 - QG2 ILE 8 lone 1 45 - 3 - HB2 GLU 99 - QG2 ILE 8 lone 1 44 - 3 - HB3 GLU 98 - QG2 ILE 8 lone 1 44 - 2 - HB2 GLU 98 - QG2 ILE 8 lone 1 43 - 2 - Peak 10644 from cnoeabs.peaks (2.05, 1.67, 42.16 ppm; 5.97 A): 3 out of 12 assignments used, quality = 0.95: HB3 GLU 48 + HB ILE 52 OK 84 98 - 86 - 1.8/12315=18...(17) HB2 MET 21 + HB ILE 52 OK 48 100 - 48 - ~9167=11, 3.0/12042=8...(14) HB3 LEU 38 + HB ILE 52 OK 39 61 - 64 - ~8856=8, 3.1/12070=7...(26) HB2 MET 74 - HB ILE 52 OK 28 94 - 30 - ~12317=7, ~9598=6...(8) HB2 GLU 99 - HB ILE 52 OK 26 92 - 28 - ~9177=4, ~10643=4...(10) HB3 GLU 43 - HB ILE 52 OK 23 90 - 26 - ~10607=5, 3.0/10603=5...(8) HB3 GLU 99 - HB ILE 52 OK 21 73 - 29 - ~9177=4, 10641/3.0=3...(11) HB2 GLU 98 - HB ILE 52 OK 18 94 - 19 - ~9177=3, ~10643=2...(9) HB3 GLU 98 - HB ILE 52 OK 18 92 - 19 - ~9177=2, ~10643=2...(9) HG12 ILE 93 - HB ILE 52 OK 18 73 - 24 - 10641/3.0=3, 10643/2.1=3...(11) HG3 GLU 28 - HB ILE 52 lone 8 92 - 9 - 5.0/2349=2, 1262/4.5=1 HG2 GLU 28 - HB ILE 52 lone 8 92 - 9 - 5.0/2349=2, 1262/4.5=1 Peak 10645 from cnoeabs.peaks (2.31, 1.67, 42.16 ppm; 4.14 A): 6 out of 7 assignments used, quality = 0.89: HB2 GLU 48 + HB ILE 52 OK 55 87 - 64 - 9176/3.2=9, 1.8/12316=9...(17) HD3 ARG 81 + HB ILE 52 OK 40 100 - 40 - 3.4/2346=6, ~9156=5...(15) HB2 TYR 41 + HB ILE 52 OK 34 99 - 34 - 8873/2.1=9, 9176/3.2=6...(8) HB2 TYR 4 + HB ILE 52 OK 18 61 - 30 - 3.7/9142=6, 3.7/9142=6...(8) HG2 GLU 63 + HB ILE 52 OK 14 77 - 18 - 10425/2.1=4, 9176/3.2=3...(7) HG3 GLU 43 + HB ILE 52 OK 14 87 - 16 - 10607/3.2=3, 10603=3...(4) HG3 GLU 16 - HB ILE 52 poor 10 87 - 11 - 10425/2.1=3, 9176/3.2=2 Peak 10646 from cnoeabs.peaks (4.25, 1.67, 42.16 ppm; 5.32 A): 2 out of 2 assignments used, quality = 0.88: HA SER 49 + HB ILE 52 OK 85 97 - 88 - 9172/3.2=25, 9078/3.8=15...(23) HB THR 31 + HB ILE 52 OK 20 90 - 23 - 9172/3.2=6, 12109/2.1=5...(6) Peak 10647 from cnoeabs.peaks (4.54, 0.78, 17.78 ppm; 4.04 A): 0 out of 2 assignments used, low quality = 0.10: HA LYS 33 - QG2 ILE 52 OK 10 90 - 12 - 9170/3.1=9 HA LYS 33 - QG2 ILE 8 lone 1 36 - 4 - ~9314=2 Peak 10648 from cnoeabs.peaks (6.46, 5.16, 60.16 ppm; 5.31 A): 2 out of 2 assignments used, quality = 0.65: HE2 TYR 4 + HA VAL 54 OK 42 81 - 53 - 5.4/10204=16...(14) HE1 TYR 4 + HA VAL 54 OK 38 73 - 53 - 5.4/10204=16...(14) Peak 10649 from cnoeabs.peaks (8.93, 0.65, 22.12 ppm; 5.56 A): 2 out of 2 assignments used, quality = 0.93: H VAL 5 + QG2 VAL 54 OK 89 96 - 93 - 3.0/12128=32, ~12127=28...(17) H LEU 57 + QG2 VAL 54 OK 38 100 - 38 - 10650/2.1=14...(8) Peak 10650 from cnoeabs.peaks (8.94, 0.76, 21.39 ppm; 6.03 A): 2 out of 2 assignments used, quality = 0.86: H VAL 5 + QG1 VAL 54 OK 67 70 - 96 - 3.0/12127=40...(17) H LEU 57 + QG1 VAL 54 OK 58 98 - 59 - 4.5/10662=20...(14) Peak 10651 from cnoeabs.peaks (1.71, 5.16, 60.16 ppm; 5.02 A): 5 out of 16 assignments used, quality = 0.56: HB2 LEU 2 + HA VAL 54 OK 28 96 - 29 - ~11070=3, 52/3.0=3...(13) HG12 ILE 15 + HA VAL 54 OK 13 73 - 18 - ~8465=2, 2.1/2485=2...(7) HD3 LYS 66 + HA VAL 54 OK 12 96 - 12 - 2951/3.0=4, ~2940=3...(4) HD2 LYS 12 + HA VAL 54 OK 11 94 - 11 - ~10392=1, 3.6/2483=1, ~10853=1 HD3 LYS 12 + HA VAL 54 OK 11 94 - 11 - ~10392=1, 3.6/2483=1, ~10853=1 HD2 ARG 81 - HA VAL 54 poor 8 73 - 11 - 1.8/10204=3, ~10654=2...(4) HD3 LYS 13 - HA VAL 54 lone 8 97 - 8 - ~10210=2, ~10852=1 HD2 LYS 13 - HA VAL 54 lone 7 94 - 8 - ~10210=2, ~10852=1 HD3 LYS 33 - HA VAL 54 lone 4 77 - 5 - ~10209=2, ~6892=1 HD2 LYS 33 - HA VAL 54 lone 4 77 - 5 - ~10209=2, ~6892=1 HD3 LYS 90 - HA VAL 54 lone 3 84 - 4 - HG2 PRO 86 - HA VAL 54 lone 3 70 - 4 - HD3 LYS 24 - HA VAL 54 lone 3 84 - 3 - HD2 LYS 24 - HA VAL 54 lone 2 81 - 3 - HB3 LEU 70 - HA VAL 54 lone 2 98 - 2 - HG LEU 70 - HA VAL 54 lone 2 90 - 3 - Peak 10653 from cnoeabs.peaks (1.30, 0.76, 21.39 ppm; 3.48 A): 3 out of 4 assignments used, quality = 0.71: HB3 LEU 42 + QG1 VAL 54 OK 61 100 - 61 - 3.0/10657=24, 1925=8...(17) HG2 ARG 30 + QG1 VAL 54 OK 16 87 - 18 - 1.8/10209=3, 8701/9229=3...(7) HG LEU 3 + QG1 VAL 54 OK 11 97 - 11 - 3.7/12127=3, 1901/10657=1 HG2 LYS 90 - QG1 VAL 54 lone 3 61 - 5 - 1901/10657=1 Peak 10654 from cnoeabs.peaks (1.05, 0.76, 21.39 ppm; 3.97 A): 2 out of 3 assignments used, quality = 0.52: HG12 ILE 52 + QG1 VAL 54 OK 39 90 - 44 - 9240/2.1=16, 3.0/10655=6...(13) HG2 LYS 82 + QG1 VAL 54 OK 22 92 - 24 - 9240/2.1=6, ~9763=5...(10) HB3 ARG 81 - QG1 VAL 54 lone 8 99 - 8 - 9240/2.1=3 Peak 10655 from cnoeabs.peaks (1.65, 0.76, 21.39 ppm; 3.80 A): 6 out of 12 assignments used, quality = 0.80: HB3 LEU 6 + QG1 VAL 54 OK 43 98 - 44 - 4.0/10663=11...(12) HB ILE 52 + QG1 VAL 54 OK 31 73 - 42 - 3.0/10654=15, ~9240=8...(13) HB ILE 76 + QG1 VAL 54 OK 25 92 - 28 - ~11070=8, ~10885=7...(6) HB3 ARG 79 + QG1 VAL 54 OK 15 100 - 15 - 4.1/2499=4, 3.0/10209=2...(6) HD2 LYS 68 + QG1 VAL 54 OK 11 100 - 11 - 3.5/2501=1 HD3 LYS 68 + QG1 VAL 54 OK 11 100 - 11 - 3.5/2501=1 HB2 LYS 40 - QG1 VAL 54 poor 10 96 - 10 - 3.0/10658=3, 1782/10657=3 HG2 LYS 68 - QG1 VAL 54 poor 9 87 - 11 - 2.9/2501=1 HD2 LYS 39 - QG1 VAL 54 lone 6 100 - 6 - ~10568=2 HD3 LYS 39 - QG1 VAL 54 lone 5 84 - 6 - ~10568=2 HD3 LYS 73 - QG1 VAL 54 lone 3 90 - 3 - HD2 LYS 73 - QG1 VAL 54 lone 3 84 - 3 - Peak 10656 from cnoeabs.peaks (2.98, 0.76, 21.39 ppm; 4.84 A): 4 out of 7 assignments used, quality = 0.90: HB2 PHE 45 + QG1 VAL 54 OK 67 100 - 67 - 9237/2.1=21, 5.8/9229=19...(10) HB3 PHE 45 + QG1 VAL 54 OK 43 70 - 62 - 5.8/9229=19, ~9237=16...(10) HB2 SER 9 + QG1 VAL 54 OK 29 97 - 29 - 9237/2.1=8, 4.6/2504=7...(7) HB3 ASP 11 + QG1 VAL 54 OK 26 92 - 28 - 9237/2.1=7, ~9238=5...(8) HE3 LYS 12 - QG1 VAL 54 poor 8 61 - 13 - 6.3/10658=3, 1.8/10392=2...(4) HE3 LYS 47 - QG1 VAL 54 lone 7 92 - 8 - 9237/2.1=2, ~9237=1 HE2 LYS 47 - QG1 VAL 54 lone 7 92 - 8 - 9237/2.1=2, ~9237=1 Peak 10657 from cnoeabs.peaks (3.71, 0.76, 21.39 ppm; 3.12 A): 0 out of 3 assignments used, low quality = 0.41: HA LEU 42 - QG1 VAL 54 OK 41 92 - 45 - 3.0/10653=14, 1904=10...(13) HA GLU 37 - QG1 VAL 54 lone 6 98 - 6 - 1920/10653=1 HA3 GLY 100 - QG1 VAL 54 lone 5 100 - 5 - 1.8/10658=2 Peak 10658 from cnoeabs.peaks (3.85, 0.76, 21.39 ppm; 4.02 A): 3 out of 8 assignments used, quality = 0.48: HA ALA 71 + QG1 VAL 54 OK 30 98 - 31 - 2.1/10210=19...(4) HA LYS 12 + QG1 VAL 54 OK 14 100 - 14 - 8381=3, 2.9/8380=2...(4) HA ALA 67 + QG1 VAL 54 OK 13 100 - 13 - 3.0/2499=2, 2974/4.0=2...(5) HA LYS 40 - QG1 VAL 54 poor 9 84 - 11 - 10552/10657=3, 3.0/10655=2 HA2 GLY 100 - QG1 VAL 54 lone 7 81 - 9 - 1.8/10657=4 HA LYS 94 - QG1 VAL 54 lone 6 81 - 8 - 3.6/10039=2, 3.0/7511=2 HB3 SER 49 - QG1 VAL 54 lone 6 99 - 6 - 9072=1 HA2 GLY 101 - QG1 VAL 54 lone 2 81 - 2 - Peak 10662 from cnoeabs.peaks (9.20, 0.76, 21.39 ppm; 4.73 A): 2 out of 2 assignments used, quality = 0.54: H ILE 56 + QG1 VAL 54 OK 35 84 - 41 - 4.7/2504=20, 4.5/10650=8...(8) H THR 84 + QG1 VAL 54 OK 29 100 - 29 - ~9836=14, 6912/4.1=7...(4) Peak 10663 from cnoeabs.peaks (9.32, 0.76, 21.39 ppm; 4.53 A): 2 out of 2 assignments used, quality = 0.83: H LEU 6 + QG1 VAL 54 OK 70 100 - 71 - 3.6/12127=27...(15) H LYS 33 + QG1 VAL 54 OK 41 87 - 48 - 3.0/9244=27, ~9235=9...(9) Peak 10664 from cnoeabs.peaks (1.51, -0.63, 42.07 ppm; 5.90 A): 3 out of 11 assignments used, quality = 0.95: HG LEU 57 + HB2 LEU 55 OK 82 84 - 98 - ~10212=40, ~10217=35...(17) HG12 ILE 56 + HB2 LEU 55 OK 56 70 - 80 - ~9304=26, ~9316=22...(14) HG LEU 2 + HB2 LEU 55 OK 40 100 - 40 - ~8051=12, ~8052=11...(8) HB2 LEU 14 - HB2 LEU 55 OK 20 96 - 21 - 6924/4.5=4, ~10399=3...(8) HG LEU 6 - HB2 LEU 55 OK 16 90 - 18 - 6924/4.5=4, ~9252=3...(6) HB ILE 7 - HB2 LEU 55 OK 13 96 - 13 - 6924/4.5=3, ~9269=2...(5) HG3 ARG 30 - HB2 LEU 55 poor 8 73 - 11 - ~9265=2, ~9254=1...(5) HB3 LEU 103 - HB2 LEU 55 lone 7 94 - 7 - ~9272=2 HG3 LYS 33 - HB2 LEU 55 lone 3 92 - 3 - HG3 LYS 24 - HB2 LEU 55 lone 2 98 - 2 - HG3 LYS 13 - HB2 LEU 55 lone 2 70 - 3 - Peak 10665 from cnoeabs.peaks (3.10, -0.63, 42.07 ppm; 5.79 A): 2 out of 2 assignments used, quality = 0.99: HB2 PHE 96 + HB2 LEU 55 OK 91 98 - 93 - ~9263=37, ~10050=37...(13) HB2 TRP 92 + HB2 LEU 55 OK 90 99 - 90 - 9987/3.1=43, ~9992=34...(12) Peak 10666 from cnoeabs.peaks (1.81, 0.44, 22.30 ppm; 5.57 A): 2 out of 8 assignments used, quality = 0.98: HB ILE 93 + QD1 LEU 55 OK 89 97 - 92 - 10015/2.1=36, ~10014=36...(11) HB3 LEU 57 + QD1 LEU 55 OK 79 81 - 99 - ~10212=37, 3.1/10211=35...(21) HB2 GLU 88 - QD1 LEU 55 OK 25 100 - 25 - 4.3/9276=4...(9) HG2 ARG 46 - QD1 LEU 55 OK 17 77 - 23 - 3.0/9255=6, ~9264=4...(7) HB2 GLU 104 - QD1 LEU 55 OK 17 100 - 17 - 4.0/10045=6...(4) HB2 LYS 90 - QD1 LEU 55 OK 15 100 - 15 - 9267/2.1=2, ~10259=1 HB2 LEU 42 - QD1 LEU 55 lone 8 100 - 8 - 9267/2.1=1 HB2 LYS 39 - QD1 LEU 55 lone 7 87 - 8 - 3.6/9252=1 Peak 10668 from cnoeabs.peaks (4.51, 0.44, 22.30 ppm; 5.38 A): 1 out of 2 assignments used, quality = 0.96: HA PHE 96 + QD1 LEU 55 OK 96 99 - 96 - 9260/2.1=36, ~9263=32...(14) HA PHE 45 - QD1 LEU 55 lone 8 87 - 9 - 4336/10051=2...(3) Peak 10669 from cnoeabs.peaks (6.97, 4.67, 52.29 ppm; 3.93 A): 3 out of 4 assignments used, quality = 0.66: HE2 PHE 96 + HA LEU 55 OK 36 97 - 38 - ~9292=10, 9286/3.0=7...(8) HE1 PHE 96 + HA LEU 55 OK 35 94 - 37 - ~9292=10, 9286/3.0=7...(8) HD21 ASN 10 + HA LEU 55 OK 17 70 - 25 - 9291/2.9=16, ~6130=4...(4) HD21 ASN 51 - HA LEU 55 lone 4 90 - 4 - 9291/2.9=3 Peak 10672 from cnoeabs.peaks (1.65, 0.60, 16.63 ppm; 3.74 A): 6 out of 11 assignments used, quality = 0.94: HB3 LEU 6 + QG2 ILE 56 OK 85 100 - 85 - 8236=36, 1.8/8235=29...(22) HB3 ARG 79 + QG2 ILE 56 OK 35 99 - 36 - 4.1/9309=7, 3.0/9305=7...(15) HG2 LYS 68 + QG2 ILE 56 OK 14 97 - 15 - 10256/9734=6, 1.8/9325=2 HB ILE 76 + QG2 ILE 56 OK 12 99 - 12 - 9646/3.0=2, 9646/3.2=1 HD3 LYS 68 + QG2 ILE 56 OK 11 100 - 11 - 10261/9734=2, 3.0/9325=1 HD2 LYS 68 + QG2 ILE 56 OK 11 100 - 11 - 10261/9734=2, 3.0/9325=1 HD2 LYS 39 - QG2 ILE 56 lone 7 99 - 7 - 3.0/9325=1, 10261/9734=1 HB2 LYS 40 - QG2 ILE 56 lone 7 100 - 7 - 2.9/9326=2 HD3 LYS 39 - QG2 ILE 56 lone 7 96 - 7 - 3.0/9325=1 HD3 LYS 73 - QG2 ILE 56 lone 1 73 - 1 - HD2 LYS 73 - QG2 ILE 56 lone 1 65 - 1 - Peak 10673 from cnoeabs.peaks (1.90, 0.60, 16.63 ppm; 4.51 A): 2 out of 10 assignments used, quality = 0.97: HB3 LEU 14 + QG2 ILE 56 OK 83 99 - 84 - 3.0/11079=30...(34) HB ILE 8 + QG2 ILE 56 OK 80 100 - 80 - 10383=40, 2.9/8312=15...(26) HB2 ARG 19 - QG2 ILE 56 OK 30 99 - 30 - 794/2.1=6, ~804=4...(12) HB VAL 54 - QG2 ILE 56 OK 12 87 - 14 - 12126/3.0=3, 12126/3.2=2...(4) HB3 LYS 33 - QG2 ILE 56 OK 11 65 - 17 - 4.1/9311=7, 10678/3.2=2...(4) HB2 GLU 43 - QG2 ILE 56 lone 7 94 - 8 - ~10607=2, ~12202=1, 10678/3.2=1 HG LEU 42 - QG2 ILE 56 lone 7 100 - 7 - 613/11079=1 HB3 LYS 13 - QG2 ILE 56 lone 5 70 - 7 - 613/11079=1, 10678/3.2=1 HB2 LYS 20 - QG2 ILE 56 lone 4 96 - 5 - HB2 LYS 13 - QG2 ILE 56 lone 4 61 - 7 - 613/11079=1, ~8386=1 Peak 10674 from cnoeabs.peaks (0.83, 0.60, 16.63 ppm; 3.30 A): 2 out of 5 assignments used, quality = 0.65: QD1 LEU 57 + QG2 ILE 56 OK 46 98 - 47 - 4.6/6932=15, 3.1/9353=7...(13) QG2 VAL 32 + QG2 ILE 56 OK 35 100 - 35 - 10165/3.2=8, 4.1/9311=4...(14) QD2 LEU 103 - QG2 ILE 56 lone 9 97 - 9 - 10229/8235=1, 6941/4.1=1 QD2 LEU 38 - QG2 ILE 56 lone 8 90 - 9 - 10667/4.0=1 QD1 LEU 70 - QG2 ILE 56 lone 4 65 - 6 - 6941/4.1=2, 9526/9528=1 Peak 10675 from cnoeabs.peaks (0.97, 0.71, 27.60 ppm; 5.03 A): 3 out of 3 assignments used, quality = 0.98: QG2 THR 80 + HG13 ILE 56 OK 80 90 - 89 - 9734/3.2=36, 9729/2.9=16...(22) HG LEU 55 + HG13 ILE 56 OK 69 99 - 70 - 3.7/9316=18...(17) QG2 VAL 83 + HG13 ILE 56 OK 69 98 - 71 - 9327/3.2=14...(18) Peak 10676 from cnoeabs.peaks (1.19, 0.71, 27.60 ppm; 4.72 A): 3 out of 3 assignments used, quality = 0.94: HB2 LEU 6 + HG13 ILE 56 OK 75 90 - 84 - 8235/3.2=28, ~8236=25...(20) HB2 LEU 57 + HG13 ILE 56 OK 74 99 - 74 - 9353/3.2=16, 3.9/2592=14...(21) QG2 THR 34 + HG13 ILE 56 OK 12 73 - 17 - 4.0/8751=4, 4.2/2585=3...(7) Peak 10677 from cnoeabs.peaks (1.36, 0.71, 27.60 ppm; 3.77 A): 3 out of 12 assignments used, quality = 0.94: HG LEU 14 + HG13 ILE 56 OK 72 97 - 74 - 11079/3.2=19, 616=8...(28) HG12 ILE 8 + HG13 ILE 56 OK 69 98 - 70 - 8312/3.2=10, ~10383=10...(27) HB2 LYS 82 + HG13 ILE 56 OK 33 81 - 41 - 1.8/2587=7, ~2579=5...(13) HB3 LEU 27 - HG13 ILE 56 OK 15 84 - 18 - ~9317=3, 3.0/9316=2...(6) HB3 ARG 30 - HG13 ILE 56 poor 10 81 - 12 - 1334/1.8=1, ~1325=1, 2.9/2589=1 HG3 LYS 68 - HG13 ILE 56 lone 9 96 - 10 - ~10672=1, 12321/10675=1 HG2 LYS 39 - HG13 ILE 56 lone 8 87 - 9 - HG3 LYS 40 - HG13 ILE 56 lone 6 100 - 6 - ~9326=1 QB ALA 89 - HG13 ILE 56 lone 6 65 - 9 - ~9925=2, ~9930=1 HB2 LEU 70 - HG13 ILE 56 lone 6 87 - 6 - QB ALA 25 - HG13 ILE 56 lone 2 65 - 3 - HG2 LYS 94 - HG13 ILE 56 lone 2 65 - 3 - Peak 10678 from cnoeabs.peaks (1.90, 0.71, 27.60 ppm; 4.79 A): 2 out of 11 assignments used, quality = 0.98: HB3 LEU 14 + HG13 ILE 56 OK 90 100 - 90 - ~11079=17, 3.0/10677=13...(35) HB ILE 8 + HG13 ILE 56 OK 84 98 - 85 - 10383/3.2=31...(31) HB2 ARG 19 - HG13 ILE 56 OK 31 94 - 32 - 794/2.9=5, 10673/3.2=4...(11) HB3 LYS 33 - HG13 ILE 56 OK 19 81 - 23 - 4.1/9313=10, 4.4/8751=4...(4) HB2 LYS 33 - HG13 ILE 56 OK 17 73 - 23 - 4.1/9313=10, 4.4/8751=4...(4) HB VAL 54 - HG13 ILE 56 OK 15 73 - 20 - ~10209=4, ~10207=3...(6) HB2 GLU 43 - HG13 ILE 56 OK 13 99 - 13 - ~10607=2, 3.0/10607=2...(6) HB3 LYS 13 - HG13 ILE 56 OK 13 84 - 16 - 4.6/6202=5, 3.0/8386=2...(4) HB2 LYS 13 - HG13 ILE 56 OK 12 77 - 15 - 4.6/6202=5, 3.0/8386=2...(4) HG LEU 42 - HG13 ILE 56 lone 9 99 - 9 - HB2 LYS 20 - HG13 ILE 56 lone 5 87 - 6 - Peak 10679 from cnoeabs.peaks (0.97, 1.53, 27.60 ppm; 4.86 A): 3 out of 4 assignments used, quality = 0.96: QG2 THR 80 + HG12 ILE 56 OK 66 77 - 86 - 9734/3.2=27, ~9302=15...(20) QG2 VAL 83 + HG12 ILE 56 OK 65 100 - 65 - 9328/2.9=14, 9327/3.2=14...(12) HG LEU 55 + HG12 ILE 56 OK 64 100 - 64 - 3.7/9317=15, 9328/2.9=12...(12) QG2 VAL 5 - HG12 ILE 56 OK 32 61 - 52 - 4.0/2584=12, 9328/2.9=11...(15) Peak 10680 from cnoeabs.peaks (1.34, 1.53, 27.60 ppm; 4.50 A): 3 out of 10 assignments used, quality = 0.98: QB ALA 67 + HG12 ILE 56 OK 83 100 - 83 - 9528/3.2=41...(13) HG LEU 14 + HG12 ILE 56 OK 68 87 - 78 - 11079/3.2=22, 2.1/628=7...(26) HB2 LYS 82 + HG12 ILE 56 OK 58 99 - 59 - 1.8/2579=10, 9757/2.1=9...(14) HB3 LEU 27 - HG12 ILE 56 OK 29 98 - 30 - 3.0/9317=7, ~9316=3...(10) HB3 LEU 2 - HG12 ILE 56 OK 22 99 - 23 - 9325/3.2=3, ~12275=2...(5) QB ALA 89 - HG12 ILE 56 OK 17 100 - 17 - 9931/10679=3, ~9925=2...(7) HG2 LYS 39 - HG12 ILE 56 OK 12 97 - 12 - 10681/2.1=1, 9325/3.2=1...(4) HG3 LYS 68 - HG12 ILE 56 OK 11 90 - 12 - ~10672=2, 9325/3.2=1...(4) QB ALA 25 - HG12 ILE 56 lone 7 100 - 7 - 10475/9317=2 HG2 LYS 94 - HG12 ILE 56 lone 6 100 - 6 - Peak 10681 from cnoeabs.peaks (1.33, 0.71, 13.82 ppm; 2.98 A): 8 out of 20 assignments used, quality = 0.93: QB ALA 67 + QD1 ILE 56 OK 60 100 - 60 - 9528/3.0=21, 9527=15...(14) HG LEU 14 + QD1 ILE 56 OK 37 73 - 50 - 11079/3.0=7, 2.1/624=6...(28) HB2 LYS 82 + QD1 ILE 56 OK 29 94 - 31 - 9325/3.0=4, 3651/3.2=4...(12) HG LEU 14 + QD1 ILE 8 OK 26 67 - 39 - 2.1/624=5, 616=4...(20) QB ALA 67 + QD1 ILE 8 OK 17 95 - 17 - 9527=4, 9528/8313=2...(7) HB3 LEU 2 + QD1 ILE 8 OK 15 96 - 16 - 66/2.1=3, 1.8/12275=2...(4) HB3 LEU 27 + QD1 ILE 56 OK 12 92 - 13 - ~9317=2, 1.8/12201=1...(6) HB3 LEU 2 + QD1 ILE 56 OK 12 100 - 12 - 9325/3.0=2, 1.8/12275=1 QB ALA 89 - QD1 ILE 56 lone 10 99 - 10 - 9931/9806=2, 2.9/9925=1 HG2 LYS 94 - QD1 ILE 8 lone 8 94 - 8 - HG2 LYS 39 - QD1 ILE 56 lone 7 90 - 8 - HG2 LYS 39 - QD1 ILE 8 lone 6 83 - 7 - HG3 LYS 68 - QD1 ILE 56 lone 5 77 - 6 - HB3 LEU 27 - QD1 ILE 8 lone 5 85 - 5 - HB2 LYS 82 - QD1 ILE 8 lone 4 88 - 5 - QB ALA 89 - QD1 ILE 8 lone 4 94 - 4 - HG2 LYS 94 - QD1 ILE 56 lone 3 99 - 3 - QB ALA 25 - QD1 ILE 56 lone 3 99 - 3 - HG3 LYS 68 - QD1 ILE 8 lone 2 70 - 3 - QB ALA 25 - QD1 ILE 8 lone 2 94 - 2 - Peak 10682 from cnoeabs.peaks (0.99, 0.71, 13.82 ppm; 3.55 A): 3 out of 4 assignments used, quality = 0.71: QG2 THR 80 + QD1 ILE 56 OK 56 87 - 64 - 9734/3.0=21, 9729/3.2=9...(16) QG1 VAL 83 + QD1 ILE 56 OK 25 65 - 38 - 2.1/9806=9, ~9328=5...(10) QG2 THR 80 + QD1 ILE 8 OK 12 80 - 15 - 9734/2596=3, 9366/6954=2...(4) QG1 VAL 83 - QD1 ILE 8 lone 6 59 - 9 - 2.1/9806=2, 10373/10272=1 Peak 10687 from cnoeabs.peaks (5.12, 1.50, 26.28 ppm; 5.57 A): 4 out of 4 assignments used, quality = 0.95: HA ILE 7 + HG LEU 57 OK 71 84 - 84 - 8271/3.0=33, 9332/4.9=21...(16) HA VAL 5 + HG LEU 57 OK 71 87 - 81 - 9346/2.1=22, 3.0/2625=17...(17) HA LEU 3 + HG LEU 57 OK 25 92 - 27 - 10688/2.1=6, 9344/3.0=6...(6) HA SER 85 + HG LEU 57 OK 21 65 - 33 - ~9861=9, 9344/3.0=5...(7) Peak 10688 from cnoeabs.peaks (5.12, 0.80, 25.48 ppm; 5.18 A): 3 out of 4 assignments used, quality = 0.94: HA ILE 7 + QD2 LEU 57 OK 72 84 - 86 - 8271/3.1=30, 9332/4.6=20...(21) HA VAL 5 + QD2 LEU 57 OK 68 87 - 78 - 9346/2.1=18, 3.0/2633=16...(18) HA LEU 3 + QD2 LEU 57 OK 29 92 - 31 - 9332/4.6=5, 9344/3.1=5...(8) HA SER 85 - QD2 LEU 57 OK 23 65 - 34 - ~9861=7, 3.0/10697=5...(8) Peak 10689 from cnoeabs.peaks (0.70, 5.39, 52.09 ppm; 3.94 A): 4 out of 9 assignments used, quality = 0.97: QD1 ILE 56 + HA LEU 57 OK 70 100 - 70 - ~6932=14, ~2576=9...(22) HG13 ILE 56 + HA LEU 57 OK 63 92 - 69 - ~6932=13, 2592/3.0=10...(22) QG1 VAL 58 + HA LEU 57 OK 49 73 - 67 - 4.0/6945=29...(10) QD1 ILE 8 + HA LEU 57 OK 40 99 - 40 - ~10693=7, 2600/3.0=6...(14) QD2 LEU 14 - HA LEU 57 OK 30 99 - 30 - 6935/3.0=3, 6954/3.6=3...(15) QD2 LEU 6 - HA LEU 57 OK 29 65 - 44 - 3.1/2603=9, ~8203=6...(12) QD1 ILE 52 - HA LEU 57 lone 9 92 - 10 - 10696/4.0=2, 2.1/12132=1 QG2 VAL 78 - HA LEU 57 lone 6 70 - 9 - 6934/3.0=1, 2559/4.9=1...(4) QD1 LEU 42 - HA LEU 57 lone 6 73 - 8 - 10696/4.0=1 Peak 10690 from cnoeabs.peaks (0.71, 1.20, 42.45 ppm; 4.48 A): 5 out of 9 assignments used, quality = 1.00: QG1 VAL 58 + HB2 LEU 57 OK 79 97 - 81 - 10706/2.9=31...(13) HG13 ILE 56 + HB2 LEU 57 OK 73 100 - 73 - 10676=19, 3.2/9353=15...(19) QD1 ILE 56 + HB2 LEU 57 OK 67 98 - 69 - 2.1/10676=15...(18) QD1 ILE 8 + HB2 LEU 57 OK 54 99 - 54 - 5.0/8288=12, 2600/3.9=6...(21) QG1 VAL 5 + HB2 LEU 57 OK 49 84 - 58 - 4.0/2609=11, ~9346=10...(15) QD2 LEU 14 - HB2 LEU 57 OK 37 99 - 38 - 8427/8271=4, 10691/1.8=4...(17) QG2 VAL 78 - HB2 LEU 57 lone 9 96 - 10 - 6934/3.9=1, 6954/4.6=1 QD1 ILE 52 - HB2 LEU 57 poor 8 61 - 13 - 10691/1.8=1, 10695/3.0=1...(4) QD2 LEU 27 - HB2 LEU 57 lone 4 73 - 5 - Peak 10691 from cnoeabs.peaks (0.71, 1.82, 42.45 ppm; 4.79 A): 4 out of 8 assignments used, quality = 0.99: HG13 ILE 56 + HB3 LEU 57 OK 74 99 - 75 - 10676/1.8=18...(20) QG1 VAL 58 + HB3 LEU 57 OK 73 90 - 82 - 10706/2.9=30, ~10705=24...(14) QD1 ILE 56 + HB3 LEU 57 OK 72 100 - 73 - 3.0/9355=14, ~10676=13...(18) QD1 ILE 8 + HB3 LEU 57 OK 59 100 - 59 - 5.0/8289=14, 2600/3.9=7...(19) QD2 LEU 14 - HB3 LEU 57 OK 44 100 - 44 - 10690/1.8=4...(17) QG1 VAL 5 - HB3 LEU 57 OK 42 70 - 61 - ~9346=12, 4.0/2617=12...(15) QD1 ILE 52 - HB3 LEU 57 OK 13 77 - 17 - 10696/3.1=2, 10689/2.9=1...(4) QG2 VAL 78 - HB3 LEU 57 OK 10 87 - 12 - 6934/3.9=2, 6954/4.6=1...(4) Peak 10695 from cnoeabs.peaks (0.71, 1.50, 26.28 ppm; 4.05 A): 5 out of 8 assignments used, quality = 0.94: HG13 ILE 56 + HG LEU 57 OK 53 99 - 54 - 10676/3.0=11, ~10674=8...(16) QD1 ILE 56 + HG LEU 57 OK 51 100 - 51 - ~10674=9, ~10676=7...(13) QG1 VAL 58 + HG LEU 57 OK 47 90 - 52 - 10706/4.3=17...(10) QD1 ILE 8 + HG LEU 57 OK 34 100 - 34 - 2600/4.9=4, 10696/2.1=4...(13) QG1 VAL 5 + HG LEU 57 OK 31 70 - 44 - ~9346=10, 4.0/2625=8...(12) QD2 LEU 14 - HG LEU 57 OK 25 100 - 25 - 10696/2.1=3, 10691/3.0=3...(10) QD1 ILE 52 - HG LEU 57 lone 8 77 - 10 - 10696/2.1=2 QG2 VAL 78 - HG LEU 57 lone 5 87 - 5 - Peak 10696 from cnoeabs.peaks (0.69, 0.80, 25.48 ppm; 2.65 A): 5 out of 9 assignments used, quality = 0.58: QD1 ILE 56 + QD2 LEU 57 OK 22 87 - 25 - ~10674=3, 324=3...(11) QD2 LEU 6 + QD2 LEU 57 OK 19 94 - 21 - 3.1/2635=4, 219/3.1=2...(9) QD1 ILE 8 + QD2 LEU 57 OK 14 81 - 18 - 324=2, 2.1/308=2...(10) HG13 ILE 56 + QD2 LEU 57 OK 13 61 - 22 - ~10674=3, 2.1/324=2...(10) QG2 VAL 58 + QD2 LEU 57 OK 11 57 - 20 - 4.0/6949=3, 10705/4.0=3...(10) QD2 LEU 14 - QD2 LEU 57 poor 10 84 - 11 - QD1 LEU 14 - QD2 LEU 57 poor 7 65 - 10 - QD1 ILE 52 - QD2 LEU 57 lone 6 100 - 6 - QD1 LEU 42 - QD2 LEU 57 lone 5 97 - 5 - Peak 10697 from cnoeabs.peaks (3.90, 0.80, 25.48 ppm; 3.69 A): 5 out of 7 assignments used, quality = 0.76: HA ALA 89 + QD2 LEU 57 OK 57 100 - 58 - 9929=25, 10698/2.1=9...(15) HA ARG 91 + QD2 LEU 57 OK 17 77 - 22 - 3.6/9983=7, 10698/2.1=4...(4) HB2 SER 85 + QD2 LEU 57 OK 15 100 - 15 - 10698/2.1=3, 3.0/10688=2...(6) HA GLU 63 + QD2 LEU 57 OK 13 90 - 14 - 10745=4, 3.0/10746=2 HA GLU 35 + QD2 LEU 57 OK 11 73 - 15 - 10698/2.1=4, ~8775=2...(4) HA3 GLY 101 - QD2 LEU 57 lone 6 92 - 6 - 10107/10213=2, 10698/2.1=1 HB2 SER 102 - QD2 LEU 57 lone 5 94 - 5 - 10110/10213=2, 10698/2.1=2 Peak 10698 from cnoeabs.peaks (3.89, 0.83, 23.91 ppm; 3.92 A): 4 out of 8 assignments used, quality = 0.68: HA ALA 89 + QD1 LEU 57 OK 44 96 - 47 - 9929/2.1=19, 3.0/9341=11...(11) HA ARG 91 + QD1 LEU 57 OK 20 99 - 21 - 10697/2.1=4, 10167=3...(5) HA GLU 35 + QD1 LEU 57 OK 19 98 - 19 - 3.0/8775=3, 10167=3...(5) HB2 SER 85 + QD1 LEU 57 OK 12 92 - 13 - 10697/2.1=4, ~10688=2...(5) HB2 SER 102 - QD1 LEU 57 lone 7 100 - 7 - 10110/10211=2...(4) HA LEU 38 - QD1 LEU 57 poor 6 61 - 10 - 2.9/6589=2, 3.0/1631=1...(4) HA GLU 43 - QD1 LEU 57 lone 6 92 - 7 - HA3 GLY 101 - QD1 LEU 57 lone 6 100 - 6 - 10107/10211=2, 10697/2.1=1 Peak 10699 from cnoeabs.peaks (1.77, 5.25, 58.24 ppm; 4.88 A): 2 out of 7 assignments used, quality = 0.99: HB3 GLU 63 + HA VAL 58 OK 95 100 - 95 - 10233/3.0=40, ~10236=22...(22) HB3 LYS 82 + HA VAL 58 OK 80 90 - 89 - ~10222=18, ~9372=18...(18) HB ILE 56 - HA VAL 58 OK 35 87 - 40 - ~8307=5, 9380/3.2=5...(16) HB VAL 78 - HA VAL 58 OK 28 99 - 29 - 9399/3.6=5, 10225/3.2=5...(11) HB2 LYS 66 - HA VAL 58 OK 25 94 - 27 - 9380/3.2=3, 10225/3.2=3...(10) HG3 ARG 19 - HA VAL 58 OK 18 77 - 23 - 3.0/9374=3, 9380/3.2=2...(11) HG3 ARG 46 - HA VAL 58 lone 7 87 - 8 - ~6947=2 Peak 10700 from cnoeabs.peaks (2.20, 2.60, 33.16 ppm; 3.97 A): 2 out of 9 assignments used, quality = 0.94: HB2 GLU 63 + HB VAL 58 OK 91 100 - 91 - 1.8/10233=37, 10236=32...(21) HB2 GLU 95 + HB VAL 58 OK 37 99 - 37 - 4.0/9394=7, 10220/2.1=5...(12) HG3 PRO 86 - HB VAL 58 OK 27 99 - 28 - 9889/2.1=5, ~9883=5...(10) HG2 GLU 35 - HB VAL 58 OK 16 99 - 16 - ~9382=2, 10220/2.1=2...(7) HG3 GLU 35 - HB VAL 58 OK 16 99 - 16 - ~9382=2, 10220/2.1=2...(7) HG2 GLU 43 - HB VAL 58 lone 7 87 - 8 - ~10607=1 HB3 GLU 75 - HB VAL 58 lone 6 90 - 6 - 9889/2.1=1 HG2 MET 1 - HB VAL 58 lone 6 100 - 5 - HG2 GLU 98 - HB VAL 58 lone 1 77 - 2 - Peak 10701 from cnoeabs.peaks (1.89, 2.60, 33.16 ppm; 4.38 A): 2 out of 7 assignments used, quality = 0.97: HB ILE 8 + HB VAL 58 OK 90 100 - 90 - 8300/3.0=37, 8301=25...(20) HB3 LEU 14 + HB VAL 58 OK 66 92 - 72 - 3.1/2658=11...(23) HG LEU 42 - HB VAL 58 OK 25 99 - 25 - 10224/2.1=4, 2.1/2658=4...(10) HB2 ARG 19 - HB VAL 58 OK 22 100 - 22 - 10224/2.1=4, 9374/3.0=3...(8) HB VAL 54 - HB VAL 58 OK 13 97 - 13 - 10224/2.1=3, 10218/2.1=2...(5) HB2 LYS 20 - HB VAL 58 OK 10 100 - 10 - 10224/2.1=2, 9374/3.0=1...(4) HB2 GLU 43 - HB VAL 58 lone 8 81 - 10 - 3.0/10700=1, 10224/2.1=1...(5) Peak 10702 from cnoeabs.peaks (0.81, 2.60, 33.16 ppm; 4.46 A): 9 out of 9 assignments used, quality = 0.95: QG2 ILE 8 + HB VAL 58 OK 53 61 - 86 - ~8300=23, 2.1/8301=21...(20) QD2 LEU 57 + HB VAL 58 OK 46 92 - 50 - ~9368=11, 6949/4.0=9...(13) QG2 ILE 7 + HB VAL 58 OK 42 97 - 44 - 4.4/8290=19, 256/4.4=8...(10) QD2 LEU 70 + HB VAL 58 OK 23 100 - 23 - 10703/3.0=4, ~9544=3...(11) QD1 LEU 70 + HB VAL 58 OK 21 92 - 22 - 10703/3.0=4, ~9544=3...(11) QD1 ILE 76 + HB VAL 58 OK 16 99 - 16 - 9396/4.4=3...(8) QD2 LEU 2 + HB VAL 58 OK 15 100 - 15 - 6949/4.0=3, 9396/4.4=2...(6) QG2 ILE 15 + HB VAL 58 OK 13 99 - 13 - ~12021=3, ~12020=2...(5) QD2 LEU 38 + HB VAL 58 OK 10 70 - 15 - ~9382=3, ~9383=2...(7) Peak 10703 from cnoeabs.peaks (0.81, 5.25, 58.24 ppm; 3.91 A): 7 out of 10 assignments used, quality = 0.91: QD2 LEU 57 + HA VAL 58 OK 49 77 - 64 - 3.1/9368=13, ~2648=11...(16) QD1 LEU 57 + HA VAL 58 OK 40 70 - 58 - 3.1/9368=13, 6950/3.0=12...(14) QG2 ILE 7 + HA VAL 58 OK 34 87 - 39 - 4.4/8298=22, 9396/3.6=7...(7) QD1 LEU 70 + HA VAL 58 OK 23 99 - 23 - 4.0/9390=4, 6950/3.0=3...(10) QD2 LEU 70 + HA VAL 58 OK 23 100 - 23 - 4.0/9390=4, 3.1/9369=2...(10) QD2 LEU 2 + HA VAL 58 OK 12 100 - 12 - 6949/3.0=2, 9396/3.6=2...(4) QD1 ILE 76 + HA VAL 58 OK 10 92 - 11 - 9396/3.6=3, 10702/3.0=2...(4) QG2 ILE 15 - HA VAL 58 lone 9 100 - 9 - ~12021=2, 9396/3.6=2 QD2 LEU 38 - HA VAL 58 poor 9 87 - 10 - ~9382=2, 6950/3.0=1...(4) QD2 LEU 103 - HA VAL 58 lone 2 73 - 2 - 6950/3.0=1 Peak 10704 from cnoeabs.peaks (2.51, 0.72, 21.78 ppm; 4.92 A): 3 out of 8 assignments used, quality = 0.94: HG3 GLU 63 + QG1 VAL 58 OK 89 96 - 93 - ~10233=26, ~10236=21...(18) HB2 ASP 61 + QG1 VAL 58 OK 28 100 - 28 - ~9448=11, ~9387=9...(5) HG3 GLU 95 + QG1 VAL 58 OK 24 65 - 37 - 1.8/10716=9, ~11013=7...(9) HG3 GLU 23 - QG1 VAL 58 poor 10 70 - 14 - 2.9/9382=4, 1.8/10716=4...(4) HB3 ASP 36 - QG1 VAL 58 lone 5 100 - 5 - HB2 ASP 36 - QG1 VAL 58 lone 5 100 - 5 - HB3 ASP 87 - QG1 VAL 58 lone 2 92 - 2 - HB2 ASP 87 - QG1 VAL 58 lone 2 92 - 2 - Peak 10705 from cnoeabs.peaks (5.38, 0.68, 19.32 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.72: HA LEU 57 + QG2 VAL 58 OK 72 92 - 79 - 10706/2.1=37...(15) Peak 10706 from cnoeabs.peaks (5.38, 0.72, 21.78 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.57: HA LEU 57 + QG1 VAL 58 OK 57 77 - 73 - 10705/2.1=35...(11) Peak 10708 from cnoeabs.peaks (7.73, 5.25, 58.24 ppm; 4.61 A): 2 out of 6 assignments used, quality = 0.94: H ASN 60 + HA VAL 58 OK 85 100 - 85 - 9422=48, 9410/3.0=41...(9) H LEU 64 + HA VAL 58 OK 64 87 - 74 - 10237/3.0=20, ~9388=19...(10) H SER 49 - HA VAL 58 OK 31 99 - 31 - 6806/3.0=7, 6965/3.6=6...(8) H ALA 25 - HA VAL 58 lone 6 61 - 9 - 9392/3.2=2, 10709/3.0=2, ~9384=1 H MET 74 - HA VAL 58 lone 4 70 - 6 - 6965/3.6=2 H GLU 37 - HA VAL 58 lone 2 87 - 3 - Peak 10709 from cnoeabs.peaks (7.72, 2.60, 33.16 ppm; 3.90 A): 2 out of 5 assignments used, quality = 0.95: H LEU 64 + HB VAL 58 OK 78 97 - 81 - 10237=20, 4.6/10233=19...(13) H ASN 60 + HB VAL 58 OK 75 98 - 77 - 9410=48, 9422/3.0=27...(9) H SER 49 - HB VAL 58 OK 26 100 - 26 - 9392/2.1=4, 6806/4.0=4...(9) H ALA 25 - HB VAL 58 poor 8 81 - 10 - 9392/2.1=3, 2785/10233=1 H GLU 37 - HB VAL 58 lone 1 70 - 2 - Peak 10710 from cnoeabs.peaks (9.11, 0.68, 19.32 ppm; 4.10 A): 1 out of 1 assignment used, quality = 0.79: H VAL 83 + QG2 VAL 58 OK 79 100 - 79 - 9395/4.0=25...(15) Peak 10711 from cnoeabs.peaks (8.71, 0.68, 19.32 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.92: H LYS 82 + QG2 VAL 58 OK 92 98 - 94 - 3.0/10228=35...(17) Peak 10713 from cnoeabs.peaks (8.72, 0.72, 21.78 ppm; 5.89 A): 1 out of 1 assignment used, quality = 0.91: H LYS 82 + QG1 VAL 58 OK 91 100 - 91 - 10711/2.1=48...(10) Peak 10714 from cnoeabs.peaks (8.94, 0.72, 21.78 ppm; 5.34 A): 2 out of 2 assignments used, quality = 0.88: H LEU 57 + QG1 VAL 58 OK 84 98 - 86 - 3.0/10706=42, ~10705=29...(14) H VAL 5 + QG1 VAL 58 OK 23 70 - 33 - 6944/4.0=10...(11) Peak 10716 from cnoeabs.peaks (2.28, 0.72, 21.78 ppm; 4.50 A): 6 out of 6 assignments used, quality = 0.85: HG2 GLU 63 + QG1 VAL 58 OK 62 70 - 89 - ~10233=22, 1.8/10704=18...(18) HG2 GLU 95 + QG1 VAL 58 OK 29 97 - 30 - 1.8/10042=9, 11013/2.1=7...(6) HG3 GLU 62 + QG1 VAL 58 OK 15 77 - 19 - 2.9/9382=8, 4.9/10720=4...(5) HG2 GLU 62 + QG1 VAL 58 OK 15 77 - 19 - 2.9/9382=8, 4.9/10720=4...(5) HB2 TYR 4 + QG1 VAL 58 OK 14 84 - 16 - 4.6/10714=4, 8145/2.1=4...(4) HG2 GLU 23 + QG1 VAL 58 OK 12 96 - 12 - 2.9/9382=4, 11013/2.1=3...(4) Peak 10717 from cnoeabs.peaks (2.30, 0.68, 19.32 ppm; 5.61 A): 2 out of 6 assignments used, quality = 0.97: HG2 GLU 63 + QG2 VAL 58 OK 94 100 - 94 - ~10233=33, ~10236=26...(17) HB2 GLU 48 + QG2 VAL 58 OK 46 100 - 46 - 3.0/9037=14, 9040=10...(11) HD3 ARG 81 - QG2 VAL 58 OK 40 87 - 46 - 5.3/9387=14, ~9367=13...(12) HB2 TYR 4 - QG2 VAL 58 OK 30 99 - 30 - 8145=5, 3.8/9391=5...(7) HG3 GLU 16 - QG2 VAL 58 OK 24 100 - 24 - 10718/2.1=4, ~9382=3...(9) HB2 TYR 41 - QG2 VAL 58 OK 16 65 - 24 - 3.0/10227=10, ~10226=4...(5) Peak 10718 from cnoeabs.peaks (2.29, 2.60, 33.16 ppm; 5.12 A): 3 out of 6 assignments used, quality = 0.95: HG2 GLU 63 + HB VAL 58 OK 89 96 - 93 - 3.0/10233=43...(16) HG2 GLU 95 + HB VAL 58 OK 34 73 - 47 - 4.8/9394=12, ~10042=9...(9) HB2 GLU 48 + HB VAL 58 OK 32 90 - 35 - ~9037=8, 9040/2.1=7...(10) HB2 TYR 4 - HB VAL 58 OK 25 99 - 24 - 3.8/9394=7, 8145/2.1=6...(4) HG3 GLU 16 - HB VAL 58 OK 19 90 - 22 - 2783/10233=4...(9) HG2 GLU 23 - HB VAL 58 poor 9 70 - 13 - 10716/2.1=3, ~9382=3...(4) Peak 10720 from cnoeabs.peaks (8.39, 0.72, 21.78 ppm; 5.10 A): 2 out of 2 assignments used, quality = 0.84: H GLU 63 + QG1 VAL 58 OK 80 99 - 81 - 2.9/10226=22, ~10235=18...(11) H GLU 62 + QG1 VAL 58 OK 23 73 - 31 - 4.5/9457=9, 4.0/9382=9...(7) Peak 10721 from cnoeabs.peaks (9.11, 5.06, 59.32 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.68: H VAL 83 + HA SER 59 OK 68 100 - 68 - 9772=44, 3.6/10723=15...(7) Peak 10723 from cnoeabs.peaks (4.71, 5.06, 59.32 ppm; 4.50 A): 2 out of 2 assignments used, quality = 0.79: HA LYS 82 + HA SER 59 OK 73 96 - 76 - 3.6/10721=34...(9) HA ARG 79 + HA SER 59 OK 24 100 - 24 - 9421/3.6=7, 10724/3.0=6...(7) Peak 10726 from cnoeabs.peaks (0.70, 5.06, 59.32 ppm; 3.86 A): 6 out of 9 assignments used, quality = 0.87: QG1 VAL 58 + HA SER 59 OK 46 73 - 62 - ~6959=18, ~6958=12...(11) QD1 ILE 8 + HA SER 59 OK 39 99 - 39 - 9420/3.6=8, 321/3.0=7...(9) QD2 LEU 14 + HA SER 59 OK 28 99 - 28 - 9420/3.6=5, ~6960=5...(11) QG2 VAL 78 + HA SER 59 OK 20 70 - 29 - 3.2/11102=23, ~9399=2...(4) QD1 ILE 56 + HA SER 59 OK 18 100 - 18 - 9420/3.6=5, 321/3.0=4...(8) HG13 ILE 56 + HA SER 59 OK 14 92 - 16 - 9420/3.6=3, 6961/3.0=2...(8) QD1 ILE 52 - HA SER 59 lone 9 92 - 9 - 9420/3.6=4, 9409/3.0=2 QD1 LEU 42 - HA SER 59 lone 6 73 - 8 - 9420/3.6=3, ~9400=1...(4) QD2 LEU 6 - HA SER 59 lone 4 65 - 6 - 9420/3.6=2, 9803/10721=1 Peak 10727 from cnoeabs.peaks (1.12, 5.06, 59.32 ppm; 4.53 A): 1 out of 2 assignments used, quality = 0.46: HG3 LYS 82 + HA SER 59 OK 46 73 - 63 - 1.8/10935=25...(8) QG2 THR 31 - HA SER 59 lone 3 61 - 4 - 7347/10721=2 Peak 10728 from cnoeabs.peaks (0.98, 5.06, 59.32 ppm; 3.90 A): 2 out of 3 assignments used, quality = 0.48: QG2 VAL 83 + HA SER 59 OK 37 77 - 48 - 4.0/10721=24, 9784=10...(8) QG2 THR 80 + HA SER 59 OK 18 100 - 18 - 9397/3.0=7, 9711/10723=3...(7) HG LEU 55 - HA SER 59 lone 6 81 - 7 - 9397/3.0=3, 7354/10721=2 Peak 10736 from cnoeabs.peaks (7.94, 4.37, 57.35 ppm; 4.29 A): 0 out of 1 assignment used, low quality = 0.00: H LEU 70 - HA ASP 61 lone 4 65 - 7 - 4.6/9449=3, 4.6/9449=3 Peak 10737 from cnoeabs.peaks (7.72, 2.73, 40.38 ppm; 5.46 A): 5 out of 5 assignments used, quality = 0.94: H LEU 64 + HB3 ASP 61 OK 80 97 - 82 - 7027/4.4=31, 9441/3.0=26...(13) H ASN 60 + HB3 ASP 61 OK 52 98 - 53 - 4.6/6998=20, 9435/4.4=18...(8) H ALA 25 + HB3 ASP 61 OK 22 81 - 28 - 4.6/6415=7, 9441/3.0=6...(6) H SER 49 + HB3 ASP 61 OK 15 100 - 15 - 9441/3.0=4, 6990/4.0=3...(4) H GLU 37 + HB3 ASP 61 OK 12 70 - 18 - 4.0/2721=5, 4.0/2721=5 Peak 10742 from cnoeabs.peaks (7.72, 4.12, 59.59 ppm; 4.82 A): 4 out of 4 assignments used, quality = 0.93: H LEU 64 + HA GLU 62 OK 84 100 - 84 - 7029/3.6=41, 7027/3.0=36...(10) H ALA 25 + HA GLU 62 OK 28 94 - 30 - 2.9/10473=7, 7011/3.0=5...(10) H ASN 60 + HA GLU 62 OK 26 90 - 29 - 9435/3.0=16, 7024/3.6=9...(5) H SER 49 + HA GLU 62 OK 14 98 - 14 - 7024/3.6=5, 7011/3.0=3 Peak 10743 from cnoeabs.peaks (4.35, 4.12, 59.59 ppm; 4.48 A): 3 out of 3 assignments used, quality = 0.73: HA ASP 61 + HA GLU 62 OK 56 81 - 70 - ~7001=18, ~6999=15...(11) HA ASN 26 + HA GLU 62 OK 28 98 - 29 - 7002/3.0=7, 9456/3.6=5...(8) HA ARG 81 + HA GLU 62 OK 13 90 - 14 - 9456/3.6=5, 7002/3.0=4...(4) Peak 10744 from cnoeabs.peaks (0.78, 2.20, 29.93 ppm; 4.70 A): 7 out of 9 assignments used, quality = 0.83: QG2 ILE 8 + HB2 GLU 63 OK 41 99 - 41 - 4.0/10753=8, 8309=7...(14) QG2 ILE 52 + HB2 GLU 63 OK 33 99 - 33 - 3.1/9461=5, 10425/3.0=4...(11) QD1 LEU 6 + HB2 GLU 63 OK 24 87 - 28 - 2.1/9461=6, ~8230=5...(7) QG2 ILE 7 + HB2 GLU 63 OK 17 73 - 23 - 4.4/10753=7, 8265/3.0=3...(7) QD2 LEU 42 + HB2 GLU 63 OK 14 73 - 19 - 2.1/9461=5, 4.7/10591=3...(6) QD1 ILE 76 + HB2 GLU 63 OK 13 65 - 20 - 10745/3.0=3, 2.1/9663=3...(6) QD2 LEU 57 + HB2 GLU 63 OK 11 84 - 13 - 10697/3.0=3, ~10746=2, ~10747=2 QD1 ILE 93 - HB2 GLU 63 lone 6 84 - 7 - QD1 LEU 27 - HB2 GLU 63 lone 4 81 - 5 - Peak 10745 from cnoeabs.peaks (0.80, 3.91, 58.27 ppm; 4.20 A): 6 out of 8 assignments used, quality = 0.71: QD1 ILE 76 + HA GLU 63 OK 26 100 - 26 - 10746/3.0=5, 10880/3.8=3...(9) QG2 ILE 7 + HA GLU 63 OK 23 100 - 23 - 8265=5, 10746/3.0=4...(7) QG2 ILE 8 + HA GLU 63 OK 19 81 - 24 - 3.0/9460=4, 4.1/2769=3...(7) QD2 LEU 57 + HA GLU 63 OK 18 99 - 18 - 10697=4, 10746/3.0=3...(6) QD2 LEU 2 + HA GLU 63 OK 13 96 - 13 - 10746/3.0=3, 8058/3.0=2, ~8054=1 QD2 LEU 70 + HA GLU 63 OK 12 97 - 13 - 10746/3.0=2, ~10746=2...(4) QD1 LEU 70 - HA GLU 63 poor 9 77 - 11 - 10746/3.0=2, ~10746=2...(4) QG2 ILE 15 - HA GLU 63 lone 6 94 - 6 - 10746/3.0=2 Peak 10746 from cnoeabs.peaks (0.81, 1.78, 29.93 ppm; 4.50 A): 6 out of 10 assignments used, quality = 0.70: QD1 ILE 76 + HB3 GLU 63 OK 27 94 - 29 - 10745/3.0=6, 10880/3.0=4...(6) QG2 ILE 7 + HB3 GLU 63 OK 22 90 - 25 - 10745/3.0=6, 4.4/10752=5...(8) QD2 LEU 2 + HB3 GLU 63 OK 18 100 - 18 - 10745/3.0=3, 8058/1.8=3...(6) QD2 LEU 57 + HB3 GLU 63 OK 14 81 - 18 - 10745/3.0=4...(3) QD2 LEU 70 + HB3 GLU 63 OK 13 100 - 13 - 10745/3.0=3, ~10745=1...(4) QD1 LEU 70 + HB3 GLU 63 OK 13 98 - 13 - ~10745=2, 10745/3.0=2...(4) QD1 LEU 57 - HB3 GLU 63 poor 9 65 - 14 - ~10745=3, ~10697=2...(4) QG2 ILE 15 - HB3 GLU 63 lone 8 100 - 8 - 10745/3.0=1 QD2 LEU 38 - HB3 GLU 63 lone 5 84 - 6 - QD2 LEU 103 - HB3 GLU 63 lone 2 70 - 3 - Peak 10747 from cnoeabs.peaks (1.50, 1.78, 29.93 ppm; 4.53 A): 3 out of 12 assignments used, quality = 0.98: HG3 LYS 66 + HB3 GLU 63 OK 82 99 - 83 - ~2771=13, ~2896=12...(29) HG2 LYS 66 + HB3 GLU 63 OK 81 98 - 83 - ~2771=13, ~2896=12...(29) HB3 LEU 64 + HB3 GLU 63 OK 45 97 - 46 - 3.9/2785=14, 3.0/10759=7...(11) HG LEU 64 - HB3 GLU 63 OK 25 70 - 36 - 4.8/2785=11, 2.1/10255=6...(10) HG LEU 57 - HB3 GLU 63 OK 19 99 - 20 - 2.1/10746=4, ~10745=3...(6) HG LEU 2 - HB3 GLU 63 OK 11 65 - 16 - 2.1/10746=5, ~10745=2...(6) HG2 LYS 47 - HB3 GLU 63 lone 8 98 - 8 - 4.9/6766=2, 10616/3.0=1 HG2 LYS 73 - HB3 GLU 63 lone 6 99 - 6 - 10616/3.0=1 HG3 LYS 24 - HB3 GLU 63 lone 5 90 - 6 - 1105/4.6=3 HG3 LYS 13 - HB3 GLU 63 lone 5 100 - 5 - HB2 ARG 91 - HB3 GLU 63 lone 4 90 - 4 - HG3 LYS 33 - HB3 GLU 63 lone 2 97 - 2 - Peak 10748 from cnoeabs.peaks (1.34, 1.78, 29.93 ppm; 5.11 A): 6 out of 11 assignments used, quality = 0.93: QB ALA 67 + HB3 GLU 63 OK 41 99 - 42 - ~10750=14, ~7080=13...(6) HG LEU 14 + HB3 GLU 63 OK 40 96 - 42 - ~9461=6, ~10409=6...(12) HB2 LYS 82 + HB3 GLU 63 OK 39 100 - 39 - 9469/4.6=4, ~2775=3...(20) HG2 LYS 39 + HB3 GLU 63 OK 37 100 - 37 - ~10574=6, 10572/3.0=6...(10) QB ALA 89 + HB3 GLU 63 OK 32 100 - 32 - 2.1/2780=5, 9939/4.0=5...(11) QB ALA 25 + HB3 GLU 63 OK 24 100 - 24 - 1155/4.6=7, 2.9/2785=5...(6) HB3 LEU 2 - HB3 GLU 63 OK 18 94 - 19 - 3.1/10746=5, ~10745=2...(6) HG3 LYS 68 - HB3 GLU 63 OK 13 97 - 13 - 9469/4.6=2, ~2771=2 HB3 LEU 27 - HB3 GLU 63 OK 12 100 - 12 - 9469/4.6=2 HG2 LYS 94 - HB3 GLU 63 lone 6 100 - 6 - HG3 LYS 40 - HB3 GLU 63 lone 3 70 - 5 - Peak 10750 from cnoeabs.peaks (8.49, 3.91, 58.27 ppm; 4.62 A): 1 out of 6 assignments used, quality = 0.69: H ALA 67 + HA GLU 63 OK 69 94 - 74 - 7080=26, 3.6/10240=21...(8) H VAL 32 - HA GLU 63 lone 9 94 - 10 - 7077/7061=2, 2907/2771=2 H ARG 79 - HA GLU 63 lone 9 92 - 10 - 4.4/2765=2, 7285/3.0=2 H VAL 54 - HA GLU 63 lone 8 100 - 8 - 7077/7061=1, 2907/2771=1 H THR 31 - HA GLU 63 lone 7 97 - 7 - H LEU 2 - HA GLU 63 lone 3 57 - 5 - 4.7/10745=3 Peak 10751 from cnoeabs.peaks (7.93, 3.91, 58.27 ppm; 5.46 A): 2 out of 2 assignments used, quality = 0.87: H ASP 65 + HA GLU 63 OK 85 96 - 89 - 7045/2.9=40, 7041/3.6=31...(12) H GLN 72 + HA GLU 63 OK 11 57 - 20 - 7041/3.6=8, 7025/2.9=5...(5) Peak 10752 from cnoeabs.peaks (8.81, 1.78, 29.93 ppm; 5.04 A): 2 out of 3 assignments used, quality = 0.56: H SER 59 + HB3 GLU 63 OK 47 65 - 72 - 4.4/10233=32...(9) H ILE 8 + HB3 GLU 63 OK 17 65 - 26 - 10753/1.8=8...(7) H ALA 22 - HB3 GLU 63 lone 7 100 - 7 - 10753/1.8=1, 8604/2785=1 Peak 10753 from cnoeabs.peaks (8.80, 2.20, 29.93 ppm; 5.24 A): 2 out of 3 assignments used, quality = 0.88: H SER 59 + HB2 GLU 63 OK 79 99 - 80 - 4.4/10236=27, 9401=21...(10) H ILE 8 + HB2 GLU 63 OK 41 99 - 41 - 8290/10236=10...(10) H ALA 22 - HB2 GLU 63 lone 7 81 - 9 - 10752/1.8=3, ~10456=1 Peak 10754 from cnoeabs.peaks (8.42, 0.74, 24.36 ppm; 5.44 A): 2 out of 2 assignments used, quality = 0.95: H THR 80 + QD1 LEU 64 OK 87 100 - 87 - 4.0/10244=34...(13) H GLU 62 + QD1 LEU 64 OK 60 90 - 67 - 7027/4.5=29...(8) Peak 10755 from cnoeabs.peaks (8.54, 0.74, 24.36 ppm; 5.32 A): 2 out of 4 assignments used, quality = 0.57: H VAL 58 + QD1 LEU 64 OK 47 100 - 47 - 9366/10762=16...(9) H GLN 50 + QD1 LEU 64 OK 19 100 - 19 - 4.6/2842=5, 6808/4.5=4...(4) H ASN 51 - QD1 LEU 64 lone 7 90 - 8 - H LYS 12 - QD1 LEU 64 lone 3 70 - 4 - Peak 10756 from cnoeabs.peaks (5.34, 0.74, 24.36 ppm; 4.79 A): 2 out of 2 assignments used, quality = 0.86: HA THR 80 + QD1 LEU 64 OK 83 99 - 84 - 3.0/10244=35...(12) HA ILE 52 + QD1 LEU 64 OK 18 100 - 18 - 3570/10762=4...(5) Peak 10757 from cnoeabs.peaks (2.70, 2.11, 41.70 ppm; 4.89 A): 1 out of 1 assignment used, quality = 0.68: HB2 ASP 65 + HB2 LEU 64 OK 68 92 - 74 - 7055/4.6=29, ~10765=16...(14) Peak 10758 from cnoeabs.peaks (1.35, 1.49, 41.70 ppm; 4.33 A): 5 out of 13 assignments used, quality = 0.96: HB2 LYS 82 + HB3 LEU 64 OK 56 96 - 58 - 9756/3.1=15, ~9486=11...(15) QB ALA 67 + HB3 LEU 64 OK 53 81 - 66 - 2981/3.0=25, ~7081=15...(13) HG LEU 14 + HB3 LEU 64 OK 47 100 - 47 - 2.1/9477=11, ~9474=7...(13) HG3 LYS 68 + HB3 LEU 64 OK 43 100 - 43 - ~12320=12, 9490/4.6=7...(11) QB ALA 25 + HB3 LEU 64 OK 41 87 - 48 - 2.9/2818=9, 8624/1.8=6...(14) HB3 LEU 27 - HB3 LEU 64 OK 23 97 - 24 - 9469/3.9=2, 1201/3.1=2...(9) HG2 LYS 39 - HB3 LEU 64 OK 19 98 - 20 - 10252/3.1=3, ~10242=2...(8) QB ALA 89 - HB3 LEU 64 OK 18 87 - 20 - 9938/3.9=3, 9931/10761=2...(9) HG2 LYS 94 - HB3 LEU 64 OK 15 87 - 17 - 12252/1.8=2, ~12253=2...(7) HG3 LYS 40 - HB3 LEU 64 lone 9 96 - 9 - HB2 LEU 70 - HB3 LEU 64 lone 7 65 - 10 - 3.9/10819=2, 3.0/10813=2 HG12 ILE 8 - HB3 LEU 64 lone 6 87 - 7 - 9490/4.6=2, 8304/9370=2 HB3 LEU 2 - HB3 LEU 64 lone 4 65 - 6 - Peak 10759 from cnoeabs.peaks (1.77, 3.75, 58.94 ppm; 4.94 A): 4 out of 7 assignments used, quality = 0.99: HB2 LYS 66 + HA LEU 64 OK 81 98 - 82 - 4.7/7081=27, 4.0/7063=27...(23) HB3 GLU 63 + HA LEU 64 OK 73 98 - 75 - 2785/3.0=18, ~7031=17...(18) HB3 LYS 82 + HA LEU 64 OK 55 96 - 58 - 9758/4.0=14, 10255/4.0=9...(16) HB VAL 78 + HA LEU 64 OK 47 96 - 50 - 2.1/2806=9, 10255/4.0=8...(12) HB ILE 56 - HA LEU 64 OK 22 94 - 24 - 7086/7081=5, 9329/2981=3...(9) HG3 ARG 19 - HA LEU 64 poor 9 87 - 11 - 7069/7063=2, 10766/3.6=1...(4) HG3 ARG 46 - HA LEU 64 lone 4 77 - 5 - 7032/3.0=2 Peak 10760 from cnoeabs.peaks (0.97, 2.11, 41.70 ppm; 5.46 A): 2 out of 3 assignments used, quality = 0.97: QG2 THR 80 + HB2 LEU 64 OK 90 97 - 93 - 10762/3.1=31, ~10244=28...(16) QG2 VAL 83 + HB2 LEU 64 OK 71 92 - 77 - 9476/3.0=16...(18) HG LEU 55 - HB2 LEU 64 OK 28 94 - 30 - 9476/3.0=7, 10761/1.8=6...(7) Peak 10761 from cnoeabs.peaks (0.96, 1.49, 41.70 ppm; 5.62 A): 3 out of 4 assignments used, quality = 0.94: QG2 VAL 83 + HB3 LEU 64 OK 75 100 - 75 - 9476/3.0=14...(20) QG2 THR 80 + HB3 LEU 64 OK 67 73 - 91 - ~10244=29, 9476/3.0=21...(19) HG LEU 55 + HB3 LEU 64 OK 28 100 - 28 - 9476/3.0=6, 10760/1.8=6...(7) QG2 VAL 5 - HB3 LEU 64 lone 5 65 - 8 - Peak 10762 from cnoeabs.peaks (0.98, 0.74, 24.36 ppm; 3.13 A): 2 out of 3 assignments used, quality = 0.71: QG2 THR 80 + QD1 LEU 64 OK 66 100 - 66 - 2.1/10244=22...(15) QG2 VAL 83 + QD1 LEU 64 OK 17 61 - 28 - 9476/4.0=4, 2.1/2844=4...(12) HG LEU 55 - QD1 LEU 64 poor 8 65 - 12 - 9476/4.0=2, 2.1/9271=1...(5) Peak 10763 from cnoeabs.peaks (2.10, 2.64, 40.20 ppm; 4.81 A): 4 out of 18 assignments used, quality = 0.90: HB2 LEU 64 + HB3 ASP 65 OK 74 94 - 79 - 10757/1.8=34...(13) HB3 GLU 62 + HB3 ASP 65 OK 42 77 - 54 - 3.0/2733=25, ~2732=19...(4) HB2 LEU 64 + HB3 ASP 77 OK 23 77 - 30 - ~10894=9, 4.6/7056=6...(8) HG3 GLU 104 + HB3 ASP 65 OK 14 98 - 14 - 4.1/2864=6, 4543/2733=2...(5) HB3 PRO 86 - HB3 ASP 65 lone 7 100 - 7 - 7049/4.0=2, 12286/4.6=2 HG3 GLU 37 - HB3 ASP 77 lone 7 82 - 9 - 1608/4.4=1, 8849/10166=1 HB VAL 83 - HB3 ASP 65 lone 7 94 - 7 - 7049/4.0=3, 12286/4.6=1 HG3 GLU 37 - HB3 ASP 65 lone 6 98 - 6 - HB2 PRO 86 - HB3 ASP 65 lone 6 73 - 8 - 12286/4.6=3, 7049/4.0=3 QE MET 21 - HB3 ASP 65 lone 5 99 - 5 - HB3 GLU 62 - HB3 ASP 77 lone 5 60 - 7 - 3.0/2733=4, 4.6/10749=1 HB VAL 83 - HB3 ASP 77 lone 3 77 - 4 - HG3 GLU 104 - HB3 ASP 77 lone 2 82 - 3 - QE MET 21 - HB3 ASP 77 lone 2 83 - 3 - HB3 PRO 86 - HB3 ASP 77 lone 2 86 - 3 - HB2 GLU 23 - HB3 ASP 65 lone 2 70 - 3 - HB2 PRO 86 - HB3 ASP 77 lone 1 57 - 2 - HB2 GLU 23 - HB3 ASP 77 lone 1 54 - 2 - Peak 10765 from cnoeabs.peaks (3.77, 4.31, 57.27 ppm; 5.20 A): 1 out of 2 assignments used, quality = 0.60: HA LEU 64 + HA ASP 65 OK 60 65 - 92 - 4.0/9503=21, 7063/3.6=21...(19) HA ALA 18 - HA ASP 65 lone 7 97 - 7 - 8498/3.6=3 Peak 10770 from cnoeabs.peaks (4.43, 2.64, 40.20 ppm; 4.42 A): 5 out of 14 assignments used, quality = 0.72: HA ILE 76 + HB3 ASP 77 OK 50 86 - 58 - 3.6/7270=24, 9672/1.8=11...(9) HA VAL 32 + HB3 ASP 77 OK 16 50 - 32 - ~11114=13, 9672/1.8=6...(7) HA SER 9 + HB3 ASP 77 OK 13 86 - 15 - 7262/3.9=5, 9672/1.8=3...(5) HA ALA 25 + HB3 ASP 65 OK 12 73 - 17 - ~12294=14, ~9502=2 HA ILE 76 + HB3 ASP 65 OK 11 100 - 11 - 3.6/7270=6, 3.0/9494=1 HA SER 9 - HB3 ASP 65 lone 8 100 - 8 - 2.9/2869=2, ~2863=1, 329/4.6=1 HB THR 84 - HB3 ASP 77 lone 7 72 - 10 - ~3463=2, 3766/3.0=2...(5) HA VAL 32 - HB3 ASP 65 lone 7 65 - 10 - 3.2/10161=3, 3.2/10166=2...(4) HA GLU 48 - HB3 ASP 77 lone 5 86 - 5 - 7262/3.9=2, 9672/1.8=1 HB THR 84 - HB3 ASP 65 lone 3 90 - 3 - ~9840=1 HA MET 21 - HB3 ASP 77 lone 2 50 - 3 - HA GLU 48 - HB3 ASP 65 lone 2 100 - 2 - HA ALA 25 - HB3 ASP 77 lone 1 57 - 2 - HA MET 21 - HB3 ASP 65 lone 1 65 - 2 - Peak 10771 from cnoeabs.peaks (8.78, 2.63, 40.23 ppm; 4.99 A): 0 out of 4 assignments used, low quality = 0.29: H ILE 8 - HB3 ASP 77 OK 17 70 - 25 - 10890/1.8=22, 4.6/2869=1 H SER 59 - HB3 ASP 77 OK 14 70 - 20 - 10890/1.8=18 H ILE 8 - HB3 ASP 65 lone 3 54 - 6 - 6099/4.6=2, 10890/3465=1 H SER 59 - HB3 ASP 65 lone 2 54 - 4 - 10890/3465=1 Peak 10772 from cnoeabs.peaks (8.48, 4.31, 57.27 ppm; 5.05 A): 4 out of 6 assignments used, quality = 0.95: H ALA 67 + HA ASP 65 OK 89 100 - 89 - 9523/3.0=29, 7083=26...(14) H VAL 54 + HA ASP 65 OK 26 92 - 29 - 9241/3.0=6, 4.4/2856=5...(8) H VAL 32 + HA ASP 65 OK 20 100 - 20 - 7077/3.6=7, 7058/3.0=5...(5) H LYS 53 + HA ASP 65 OK 20 84 - 23 - 3.9/2856=6, ~9678=6...(8) H ARG 79 - HA ASP 65 poor 9 61 - 14 - 4.3/9504=4, 7058/3.0=3...(4) H THR 31 - HA ASP 65 lone 5 73 - 7 - 7077/3.6=2, 7058/3.0=2 Peak 10774 from cnoeabs.peaks (8.19, 4.08, 58.43 ppm; 4.70 A): 5 out of 6 assignments used, quality = 0.92: H LYS 68 + HA LYS 66 OK 77 99 - 78 - 7096/3.6=28, 7102=27...(18) H LYS 68 + HA ARG 46 OK 24 77 - 32 - 7102=11, 4.6/7119=6...(8) H GLU 43 + HA ARG 46 OK 22 79 - 28 - ~1958=5, ~6738=3...(9) H GLU 43 + HA LYS 66 OK 21 100 - 21 - 7078/3.0=6, 7096/3.6=6...(4) H ASP 36 + HA LYS 66 OK 19 98 - 20 - 7078/3.0=7, 7096/3.6=5...(4) H ASP 36 - HA ARG 46 lone 6 76 - 8 - 3.6/10174=1 Peak 10776 from cnoeabs.peaks (7.92, 1.77, 31.73 ppm; 5.21 A): 3 out of 3 assignments used, quality = 0.93: H ASP 65 + HB2 LYS 66 OK 85 100 - 85 - 7064/4.0=29...(18) H GLU 69 + HB2 LYS 66 OK 41 73 - 56 - 7119/3.0=14, 7097/4.7=11...(11) H GLN 72 + HB2 LYS 66 OK 25 92 - 27 - 9557/1.8=6, 7082/4.7=5...(5) Peak 10777 from cnoeabs.peaks (7.93, 1.86, 31.73 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.60: H ASP 65 + HB3 LYS 66 OK 60 87 - 69 - 7064/4.0=24, 7082/4.7=15...(14) Peak 10778 from cnoeabs.peaks (7.94, 1.49, 24.58 ppm; 5.00 A): 2 out of 2 assignments used, quality = 0.45: H LEU 70 + HG3 LYS 66 OK 26 61 - 43 - 3.0/10813=7, 7139/3.7=6...(13) H LEU 70 + HG2 LYS 66 OK 25 60 - 43 - 3.0/10813=7, 7139/3.7=6...(13) Peak 10779 from cnoeabs.peaks (8.49, 2.64, 40.20 ppm; 4.84 A): 5 out of 12 assignments used, quality = 0.93: H VAL 54 + HB3 ASP 77 OK 58 85 - 69 - 9242/1.8=41, 3.6/9678=18...(6) H ALA 67 + HB3 ASP 65 OK 55 81 - 68 - 4.7/7067=22, 9523/1.8=21...(9) H ARG 79 + HB3 ASP 77 OK 35 83 - 43 - 10331/3.0=22...(4) H VAL 54 + HB3 ASP 65 OK 27 99 - 27 - 9241=6, 3.6/9678=6...(7) H VAL 32 + HB3 ASP 77 OK 24 63 - 38 - 11114/3.0=20, ~9672=5...(7) H VAL 32 - HB3 ASP 65 OK 16 81 - 20 - 7077/4.6=5, 7058/4.0=3...(7) H ARG 79 - HB3 ASP 65 OK 15 99 - 15 - 4.6/7276=4, 7058/4.0=2...(7) H ALA 67 - HB3 ASP 77 OK 12 63 - 19 - 4.7/7067=6, 4.6/9488=2...(6) H THR 31 - HB3 ASP 65 lone 6 100 - 6 - 7077/4.6=1 H THR 31 - HB3 ASP 77 lone 5 86 - 6 - 7281/4.4=1 H LEU 2 - HB3 ASP 77 lone 2 60 - 4 - 7281/4.4=1 H LEU 2 - HB3 ASP 65 lone 1 77 - 2 - Peak 10781 from cnoeabs.peaks (1.08, 1.70, 27.82 ppm; 6.32 A): 2 out of 2 assignments used, quality = 0.49: HG2 ARG 91 + HD3 LYS 66 OK 38 98 - 38 - 4046/2.9=4, 4046/2.9=4...(12) HG12 ILE 76 + HD3 LYS 66 OK 17 99 - 17 - ~12319=6, 2.1/10782=5, ~9517=2 Peak 10782 from cnoeabs.peaks (0.81, 1.70, 27.82 ppm; 4.63 A): 5 out of 11 assignments used, quality = 0.92: QD1 LEU 70 + HD3 LYS 66 OK 60 100 - 61 - ~12319=8, ~10821=7...(23) QD2 LEU 70 + HD3 LYS 66 OK 59 98 - 61 - 10821/2.9=10...(22) QD1 ILE 76 + HD3 LYS 66 OK 23 84 - 27 - 2.1/10781=6, 9639/5.1=4...(9) QD1 LEU 57 + HD3 LYS 66 OK 22 81 - 28 - ~12319=5, ~2637=3...(11) QD2 LEU 2 + HD3 LYS 66 OK 22 99 - 22 - 12319/1.8=3, 9514/3.6=2...(10) QG2 ILE 15 - HD3 LYS 66 OK 20 99 - 20 - 12319/1.8=2, 9514/3.6=2...(7) QD2 LEU 57 - HD3 LYS 66 OK 20 65 - 30 - 12319/1.8=5, 9514/3.6=4...(12) QG2 ILE 7 - HD3 LYS 66 lone 8 77 - 10 - 9514/3.6=1, 12319/1.8=1 QG2 VAL 32 - HD3 LYS 66 poor 7 65 - 10 - 4.0/2951=4, 9506/6.1=2, ~10145=1 QD2 LEU 103 - HD3 LYS 66 lone 6 84 - 7 - 9506/6.1=2 QD2 LEU 38 - HD3 LYS 66 lone 4 94 - 5 - Peak 10783 from cnoeabs.peaks (1.75, 1.34, 17.79 ppm; 3.83 A): 3 out of 6 assignments used, quality = 0.78: HB ILE 56 + QB ALA 67 OK 60 81 - 75 - 2.1/9528=41, 2.9/9527=12...(15) HB2 LYS 66 + QB ALA 67 OK 34 70 - 49 - ~2907=10, 1.8/10784=10...(12) HB3 LYS 82 + QB ALA 67 OK 15 77 - 19 - 7086/2.9=2, 3661=2...(9) HG3 ARG 19 - QB ALA 67 lone 8 90 - 9 - 818/4.9=2, 7086/2.9=2 HB2 GLU 28 - QB ALA 67 lone 6 97 - 6 - ~7083=2, 4.0/6450=2 HD2 LYS 90 - QB ALA 67 lone 3 92 - 3 - Peak 10784 from cnoeabs.peaks (1.86, 1.34, 17.79 ppm; 4.06 A): 6 out of 8 assignments used, quality = 0.92: HB3 LYS 66 + QB ALA 67 OK 61 100 - 61 - 2907/2.9=18, ~2895=12...(13) HB3 LYS 68 + QB ALA 67 OK 42 87 - 49 - 4.0/2985=21, 7087/2.9=7...(13) HB2 LYS 12 + QB ALA 67 OK 26 99 - 26 - 7087/2.9=4, 7108/3.6=3...(13) HB3 LYS 12 + QB ALA 67 OK 26 97 - 26 - 7087/2.9=4, 7108/3.6=3...(12) HB3 LYS 39 + QB ALA 67 OK 25 100 - 25 - 7108/3.6=4, 7087/2.9=3...(11) HB VAL 5 + QB ALA 67 OK 16 100 - 16 - 10368/4.9=3, 2.1/10194=3...(6) HB2 LYS 53 - QB ALA 67 poor 10 65 - 15 - ~2414=2, 7107/3.6=2...(7) HB3 GLU 104 - QB ALA 67 lone 4 90 - 4 - Peak 10785 from cnoeabs.peaks (7.93, 1.34, 17.79 ppm; 4.75 A): 2 out of 2 assignments used, quality = 0.78: H ASP 65 + QB ALA 67 OK 75 96 - 78 - 3.6/2981=38, 7082/2.9=21...(15) H GLN 72 + QB ALA 67 OK 14 57 - 24 - 7082/2.9=6, 3.6/2983=4...(6) Peak 10787 from cnoeabs.peaks (3.67, 1.34, 17.35 ppm; 3.95 A): 4 out of 4 assignments used, quality = 0.95: HA GLU 88 + QB ALA 89 OK 72 96 - 76 - 3.6/7407=18, 3.0/9933=15...(21) HA LYS 90 + QB ALA 89 OK 67 100 - 67 - 3.0/3910=29, 7401/2.9=12...(14) HA LEU 14 + QB ALA 89 OK 24 77 - 32 - 3.0/9937=8, 7416/3.6=3...(13) HB THR 80 + QB ALA 89 OK 21 87 - 25 - ~9927=5, 7416/3.6=3...(8) Peak 10788 from cnoeabs.peaks (3.69, 1.64, 25.26 ppm; 4.93 A): 3 out of 4 assignments used, quality = 0.81: HB THR 80 + HG2 LYS 68 OK 75 90 - 83 - 2.1/10256=27, ~12321=15...(19) HA LEU 14 + HG2 LYS 68 OK 15 96 - 15 - 587/1.8=2, 3571/10256=2...(5) HA LEU 42 + HG2 LYS 68 OK 14 81 - 17 - 3.6/3021=6, 1905/4.6=4 HA GLU 37 - HG2 LYS 68 lone 5 65 - 8 - Peak 10790 from cnoeabs.peaks (4.15, 1.64, 25.26 ppm; 5.38 A): 2 out of 6 assignments used, quality = 0.68: HA GLN 72 + HG2 LYS 68 OK 63 98 - 65 - ~9557=15, 3.0/3031=13...(16) HA LYS 13 + HG2 LYS 68 OK 13 98 - 13 - ~6166=1, ~6165=1...(4) HA LYS 47 - HG2 LYS 68 lone 7 99 - 7 - ~6765=1, ~3945=1 HA MET 1 - HG2 LYS 68 lone 5 94 - 5 - HA GLU 23 - HG2 LYS 68 lone 4 100 - 4 - HB2 SER 59 - HG2 LYS 68 lone 3 92 - 3 - Peak 10791 from cnoeabs.peaks (4.17, 3.81, 59.98 ppm; 5.20 A): 3 out of 10 assignments used, quality = 0.56: HA GLN 72 + HA LYS 68 OK 46 76 - 61 - ~9557=13, 3.9/12324=13...(11) HB2 SER 59 + HA ARG 19 OK 10 94 - 11 - ~788=2, ~798=2...(5) HA GLN 72 + HA ARG 19 OK 10 84 - 12 - 3.9/12324=4, 3.9/12325=3 HA LYS 13 - HA LYS 68 poor 8 76 - 10 - 10790/4.0=1, ~6166=1, ~6165=1 HA MET 1 - HA ARG 19 lone 7 92 - 7 - HA LYS 13 - HA ARG 19 lone 6 84 - 7 - ~6279=2 HA LYS 73 - HA LYS 68 lone 6 94 - 6 - HA MET 1 - HA LYS 68 lone 6 84 - 7 - 8009/4.9=1 HA LYS 73 - HA ARG 19 lone 4 99 - 4 - HB2 SER 59 - HA LYS 68 lone 4 87 - 4 - Peak 10792 from cnoeabs.peaks (4.00, 1.35, 25.26 ppm; 5.73 A): 5 out of 8 assignments used, quality = 0.95: HA GLU 69 + HG3 LYS 68 OK 89 97 - 92 - ~7124=23, 4.9/3033=20...(20) HA GLU 69 + HG2 LYS 39 OK 25 56 - 46 - 4.9/3033=8, 3.0/7127=7...(15) HA GLU 75 + HG2 LYS 39 OK 18 61 - 29 - ~1713=5, ~1735=4...(11) HA LEU 70 + HG3 LYS 68 OK 12 65 - 18 - 10789/4.6=12 HB3 SER 97 + HG3 LYS 68 OK 11 65 - 16 - 3.0/10069=3, ~3022=3...(6) HA GLU 75 - HG3 LYS 68 lone 10 100 - 10 - 10789/4.6=3, 9554/3042=2 HA LEU 70 - HG2 LYS 39 poor 3 33 - 10 - 4.0/10569=3, 4.0/10569=1 HB3 SER 97 - HG2 LYS 39 lone 2 33 - 6 - 3.0/10069=1, 4.5/11020=1 Peak 10793 from cnoeabs.peaks (1.86, 4.00, 59.02 ppm; 4.35 A): 5 out of 8 assignments used, quality = 0.86: HB3 LYS 68 + HA GLU 69 OK 62 87 - 71 - ~7124=18, 7125/3.0=16...(18) HB3 LYS 66 + HA GLU 69 OK 41 100 - 41 - ~7119=9, ~2881=8...(10) HB3 LYS 39 + HA GLU 69 OK 20 100 - 20 - 7125/3.0=4, 3.6/10794=4...(6) HB2 LYS 12 + HA GLU 69 OK 12 99 - 12 - 7125/3.0=3, ~7125=2...(5) HB3 LYS 12 + HA GLU 69 OK 12 97 - 12 - 7125/3.0=3, ~7125=2...(5) HB VAL 5 - HA GLU 69 lone 7 100 - 7 - 10368/4.9=4, 7125/3.0=1 HB2 LYS 53 - HA GLU 69 lone 4 65 - 6 - 7124/3.0=2, 1.8/10794=1 HB3 GLU 104 - HA GLU 69 lone 2 90 - 2 - Peak 10794 from cnoeabs.peaks (1.67, 4.00, 59.02 ppm; 4.39 A): 3 out of 14 assignments used, quality = 0.57: HD2 LYS 68 + HA GLU 69 OK 43 61 - 70 - 3.5/10793=11, ~7124=10...(23) HD2 LYS 39 + HA GLU 69 OK 15 70 - 21 - 3.6/10793=3, 3.0/10795=3...(9) HB3 LYS 40 + HA GLU 69 OK 11 87 - 13 - 2.9/10795=3, ~7121=2...(6) HB ILE 52 - HA GLU 69 lone 5 100 - 5 - ~9536=2, ~9535=2 HD3 LYS 20 - HA GLU 69 lone 4 100 - 4 - HD2 LYS 20 - HA GLU 69 lone 4 98 - 4 - HB3 ARG 91 - HA GLU 69 lone 4 90 - 4 - ~9538=1 HB3 LYS 53 - HA GLU 69 lone 4 81 - 5 - ~7124=2 HD2 LYS 73 - HA GLU 69 lone 3 99 - 3 - ~9537=1 HD3 LYS 73 - HA GLU 69 lone 3 98 - 3 - ~9537=1 HD2 LYS 47 - HA GLU 69 lone 2 94 - 3 - HD3 LYS 47 - HA GLU 69 lone 2 92 - 3 - HG3 LYS 20 - HA GLU 69 lone 2 100 - 2 - HB3 ARG 79 - HA GLU 69 lone 1 70 - 1 - Peak 10795 from cnoeabs.peaks (1.36, 4.00, 59.02 ppm; 5.02 A): 3 out of 9 assignments used, quality = 0.92: HG3 LYS 68 + HA GLU 69 OK 76 90 - 85 - ~7124=18, 3.0/10794=16...(20) HB2 LEU 70 + HA GLU 69 OK 54 94 - 57 - 3.9/7144=28...(10) HG2 LYS 39 + HA GLU 69 OK 29 77 - 37 - 7127/3.0=6, 3.0/10794=5...(14) HG3 LYS 40 - HA GLU 69 OK 21 100 - 21 - 7150/3.6=5, 2.9/10794=4...(8) HG LEU 14 - HA GLU 69 OK 16 92 - 17 - 7127/3.0=3, ~9536=3...(6) HG12 ILE 8 - HA GLU 69 OK 12 100 - 12 - 7150/3.6=3, ~9536=2...(4) HB3 ARG 30 - HA GLU 69 lone 6 90 - 7 - 7150/3.6=3 HB3 LEU 27 - HA GLU 69 lone 4 73 - 6 - 7127/3.0=1, 2991/4.9=1 HB2 LYS 82 - HA GLU 69 lone 3 70 - 4 - 7127/3.0=1 Peak 10797 from cnoeabs.peaks (1.69, 2.13, 35.75 ppm; 4.11 A): 6 out of 44 assignments used, quality = 0.79: HB3 LYS 40 + HG2 GLU 44 OK 35 100 - 35 - ~10580=10, 10187/1.8=9...(6) HG LEU 70 + HG2 GLU 44 OK 33 84 - 39 - ~8981=11, 10187/1.8=8...(11) HD3 LYS 47 + HG2 GLU 44 OK 19 99 - 20 - 3.0/10798=5, 10187/1.8=4...(6) HD2 LYS 47 + HG2 GLU 44 OK 19 99 - 20 - 3.0/10798=5, 10187/1.8=4...(6) HG2 PRO 86 + HG2 GLU 69 OK 17 61 - 28 - 10802/3.0=6, 10802/3.0=6...(13) HG LEU 70 + HG2 GLU 69 OK 12 49 - 24 - 3.7/10816=5, 4.9/3116=5...(7) HB3 ARG 91 - HG2 GLU 44 lone 7 100 - 7 - 1.8/10798=2, 10187/1.8=2 HD2 LYS 13 - HG2 GLU 44 lone 6 77 - 7 - 3.0/10798=1, 10187/1.8=1 HB3 LYS 40 - HG2 GLU 69 lone 6 65 - 8 - 10794/4.1=2, ~10580=1...(4) HD3 LYS 66 - HG2 GLU 44 lone 5 73 - 7 - 2.9/10798=2, 2.9/10798=2 HB ILE 52 - HG2 GLU 44 lone 5 77 - 7 - ~8981=2, 10187/1.8=1...(4) HD3 LYS 66 - HG2 GLU 69 poor 5 41 - 13 - 5.1/2882=2, 2.9/10798=2...(5) HD3 LYS 13 - HG2 GLU 44 lone 5 70 - 7 - 3.0/10798=1, 2.9/12280=1 HD2 LYS 24 - HG2 GLU 44 lone 5 92 - 5 - HD3 LYS 24 - HG2 GLU 44 lone 5 90 - 5 - HG3 LYS 20 - HG2 GLU 44 lone 4 90 - 4 - ~10186=1, 10187/1.8=1 HD2 LYS 20 - HG2 GLU 44 lone 4 96 - 4 - HD3 LYS 20 - HG2 GLU 44 lone 4 90 - 4 - HG12 ILE 15 - HG2 GLU 44 lone 4 96 - 4 - 10187/1.8=1 HG2 PRO 86 - HG2 GLU 44 lone 4 97 - 4 - HB3 LYS 53 - HG2 GLU 44 lone 3 100 - 3 - 10187/1.8=1 HB2 LEU 2 - HG2 GLU 44 lone 3 73 - 4 - ~8981=1 HD2 LYS 73 - HG2 GLU 44 lone 3 65 - 4 - 3.0/10798=1 HD3 LYS 47 - HG2 GLU 69 lone 2 64 - 4 - HB3 ARG 91 - HG2 GLU 69 lone 2 65 - 4 - HD2 LYS 47 - HG2 GLU 69 lone 2 63 - 4 - HD2 LYS 12 - HG2 GLU 44 lone 2 77 - 3 - HD3 LYS 12 - HG2 GLU 44 lone 2 77 - 3 - HD2 LYS 20 - HG2 GLU 69 lone 2 59 - 3 - HD3 LYS 90 - HG2 GLU 44 lone 2 90 - 2 - HD3 LYS 20 - HG2 GLU 69 lone 2 53 - 3 - HD3 LYS 90 - HG2 GLU 69 lone 1 53 - 3 - HB3 LYS 53 - HG2 GLU 69 lone 1 66 - 2 - HG12 ILE 15 - HG2 GLU 69 lone 1 59 - 2 - HD2 LYS 24 - HG2 GLU 69 lone 1 55 - 2 - HD3 LYS 24 - HG2 GLU 69 lone 1 53 - 2 - HD2 LYS 13 - HG2 GLU 69 lone 1 44 - 3 - HD2 LYS 73 - HG2 GLU 69 lone 1 36 - 3 - HB2 LEU 2 - HG2 GLU 69 lone 1 41 - 3 - HG3 LYS 20 - HG2 GLU 69 lone 1 53 - 2 - HD3 LYS 13 - HG2 GLU 69 lone 1 38 - 3 - HD2 LYS 12 - HG2 GLU 69 lone 1 44 - 2 - HD3 LYS 12 - HG2 GLU 69 lone 1 44 - 2 - HB ILE 52 - HG2 GLU 69 lone 1 44 - 2 - Peak 10798 from cnoeabs.peaks (1.49, 2.13, 35.75 ppm; 4.86 A): 4 out of 20 assignments used, quality = 0.47: HG2 LYS 47 + HG2 GLU 44 OK 26 100 - 26 - 10616/4.0=6, 2167/4.8=4...(9) HB3 LEU 64 + HG2 GLU 69 OK 11 65 - 17 - 2825/5.1=4, 2820/3.0=2...(5) HG2 LYS 66 + HG2 GLU 69 OK 10 65 - 16 - 9537/5.1=5, 3.7/2883=4...(5) HG3 LYS 66 + HG2 GLU 69 OK 10 63 - 16 - 9537/5.1=5, 3.7/2883=4...(5) HG LEU 64 - HG2 GLU 69 poor 8 59 - 14 - 2833/5.1=3, 2828/3.0=2...(6) HG2 LYS 66 - HG2 GLU 44 lone 8 100 - 8 - HG3 LYS 66 - HG2 GLU 44 lone 8 99 - 8 - HG3 LYS 13 - HG2 GLU 44 lone 8 94 - 8 - 3.8/12280=1, 3.8/12280=1 HB2 ARG 91 - HG2 GLU 44 lone 8 100 - 8 - ~10187=1, 1.8/10797=1, ~10186=1 HG2 LYS 73 - HG2 GLU 44 lone 6 99 - 6 - HG2 LYS 73 - HG2 GLU 69 lone 3 64 - 5 - 9537/5.1=1 HG2 LYS 47 - HG2 GLU 69 lone 3 65 - 5 - HB3 LEU 64 - HG2 GLU 44 lone 3 100 - 3 - HB2 ARG 91 - HG2 GLU 69 lone 3 65 - 4 - HG LEU 57 - HG2 GLU 44 lone 2 84 - 3 - ~8981=1 HG3 LYS 13 - HG2 GLU 69 lone 2 57 - 4 - HG LEU 64 - HG2 GLU 44 lone 2 96 - 2 - HG LEU 57 - HG2 GLU 69 lone 2 49 - 4 - 9537/5.1=2 HG3 LYS 33 - HG2 GLU 44 lone 1 73 - 2 - HG3 LYS 33 - HG2 GLU 69 lone 1 41 - 2 - Peak 10799 from cnoeabs.peaks (1.35, 2.13, 35.75 ppm; 5.29 A): 4 out of 26 assignments used, quality = 0.85: HG3 LYS 40 + HG2 GLU 44 OK 52 100 - 52 - ~10580=20, 10185/1.8=13...(7) HB2 LEU 70 + HG2 GLU 44 OK 50 84 - 59 - 10185/1.8=14, ~8981=14...(14) HB2 LEU 70 + HG2 GLU 69 OK 22 49 - 45 - 3.9/3116=9, 3.0/10816=8...(12) HG3 LYS 68 + HG2 GLU 69 OK 22 61 - 36 - 10792/4.1=13...(5) HG3 LYS 40 - HG2 GLU 69 poor 10 65 - 15 - 10795/4.1=3, ~10580=3...(6) QB ALA 67 - HG2 GLU 69 poor 8 33 - 25 - 3.6/9533=7, 7127/5.1=6...(6) HG12 ILE 8 - HG2 GLU 44 lone 8 97 - 8 - ~8981=2, 10185/1.8=2 HG3 LYS 68 - HG2 GLU 44 lone 8 97 - 8 - 4.6/9533=2, 8973/4.8=1 HG2 LYS 94 - HG2 GLU 44 poor 8 70 - 11 - 8973/4.8=4, 4.9/2023=3, ~10185=2 HG LEU 14 - HG2 GLU 69 poor 8 62 - 12 - 7127/5.1=2, 10795/4.1=2...(4) HG2 LYS 39 - HG2 GLU 69 poor 8 53 - 14 - 7127/5.1=4, 10795/4.1=4...(4) HG2 LYS 39 - HG2 GLU 44 lone 6 90 - 7 - 8973/4.8=2 HG LEU 14 - HG2 GLU 44 lone 6 98 - 6 - 8973/4.8=1, 10185/1.8=1 HB3 LEU 27 - HG2 GLU 44 lone 5 87 - 5 - 8973/4.8=1, ~10186=1 QB ALA 67 - HG2 GLU 44 lone 5 61 - 8 - 3.6/9533=2, 8973/4.8=2 HG12 ILE 8 - HG2 GLU 69 lone 4 61 - 6 - 10795/4.1=2 HB3 ARG 30 - HG2 GLU 44 lone 3 77 - 4 - 10185/1.8=1 HB3 LEU 27 - HG2 GLU 69 lone 3 51 - 5 - 7127/5.1=1 HG2 LYS 94 - HG2 GLU 69 lone 3 38 - 7 - 7127/5.1=2 QB ALA 25 - HG2 GLU 44 lone 2 70 - 3 - 8973/4.8=1 HB2 LYS 82 - HG2 GLU 69 lone 2 49 - 5 - QB ALA 89 - HG2 GLU 44 lone 2 70 - 3 - HB2 LYS 82 - HG2 GLU 44 lone 2 84 - 2 - QB ALA 89 - HG2 GLU 69 lone 2 38 - 5 - QB ALA 25 - HG2 GLU 69 lone 2 38 - 4 - HB3 ARG 30 - HG2 GLU 69 lone 1 44 - 3 - Peak 10801 from cnoeabs.peaks (1.34, 2.13, 29.27 ppm; 4.57 A): 10 out of 24 assignments used, quality = 0.90: HG3 LYS 68 + HB2 GLU 69 OK 41 100 - 41 - 10792/3.0=12...(8) HG3 LYS 68 + HB3 GLU 69 OK 41 100 - 41 - 10792/3.0=12...(8) QB ALA 67 + HB2 GLU 69 OK 21 94 - 23 - 3.6/9533=6, 7127/4.0=6...(5) QB ALA 67 + HB3 GLU 69 OK 21 94 - 23 - 3.6/9533=6, 7127/4.0=6...(5) HG2 LYS 39 + HB2 GLU 69 OK 15 100 - 15 - 7127/4.0=4, 10792/3.0=3...(4) HG2 LYS 39 + HB3 GLU 69 OK 15 100 - 15 - 7127/4.0=4, 10792/3.0=3...(4) HG LEU 14 + HB2 GLU 69 OK 12 99 - 12 - 7127/4.0=2, ~12018=1...(4) HG LEU 14 + HB3 GLU 69 OK 12 99 - 12 - 7127/4.0=2, ~12018=1...(4) HG3 LYS 40 + HB3 GLU 69 OK 11 84 - 13 - ~10794=2, 7127/4.0=2...(6) HG3 LYS 40 + HB2 GLU 69 OK 11 84 - 13 - ~10794=2, 7127/4.0=2...(6) HG2 LYS 94 - HB3 GLU 69 lone 6 97 - 6 - 7127/4.0=2 HG2 LYS 94 - HB2 GLU 69 lone 6 97 - 6 - 7127/4.0=2 HB2 LYS 82 - HB2 GLU 69 lone 5 100 - 5 - HB2 LYS 82 - HB3 GLU 69 lone 5 100 - 5 - QB ALA 89 - HB3 GLU 69 lone 5 97 - 5 - QB ALA 89 - HB2 GLU 69 lone 5 97 - 5 - HB3 LEU 27 - HB2 GLU 69 lone 4 100 - 4 - 7127/4.0=1 HB3 LEU 27 - HB3 GLU 69 lone 4 100 - 4 - 7127/4.0=1 QB ALA 25 - HB3 GLU 69 lone 4 97 - 4 - QB ALA 25 - HB2 GLU 69 lone 4 97 - 4 - HB3 LEU 2 - HB3 GLU 69 lone 3 84 - 4 - HB3 LEU 2 - HB2 GLU 69 lone 3 84 - 4 - HG12 ILE 8 - HB3 GLU 69 lone 3 70 - 5 - 7150/4.6=1 HG12 ILE 8 - HB2 GLU 69 lone 3 70 - 5 - 7150/4.6=1 Peak 10802 from cnoeabs.peaks (1.69, 2.13, 29.27 ppm; 3.49 A): 4 out of 40 assignments used, quality = 0.74: HG2 PRO 86 + HB3 GLU 69 OK 34 100 - 34 - 3.8/3094=4, 3832=3...(20) HG2 PRO 86 + HB2 GLU 69 OK 34 100 - 34 - 3.8/3094=4, 3832=3...(20) HG LEU 70 + HB2 GLU 69 OK 23 96 - 24 - 3150/4.6=8, 3.7/10816=4...(10) HG LEU 70 + HB3 GLU 69 OK 23 96 - 24 - 3150/4.6=8, 3.7/10816=4...(10) HD3 LYS 66 - HB2 GLU 69 poor 9 90 - 10 - 5.1/3102=3, 7152/4.6=1 HD3 LYS 66 - HB3 GLU 69 poor 9 90 - 10 - 5.1/3102=3, 7152/4.6=1 HB3 LYS 40 - HB2 GLU 69 lone 7 97 - 7 - 7152/4.6=1 HB3 LYS 40 - HB3 GLU 69 lone 7 97 - 7 - 7152/4.6=1 HD2 LYS 20 - HB3 GLU 69 lone 3 84 - 3 - HD2 LYS 20 - HB2 GLU 69 lone 3 84 - 3 - HB3 ARG 91 - HB2 GLU 69 lone 2 96 - 2 - HB3 ARG 91 - HB3 GLU 69 lone 2 96 - 2 - HB2 LEU 2 - HB3 GLU 69 lone 2 90 - 2 - HB2 LEU 2 - HB2 GLU 69 lone 2 90 - 2 - HG12 ILE 15 - HB3 GLU 69 lone 2 100 - 2 - 7152/4.6=1 HG12 ILE 15 - HB2 GLU 69 lone 2 100 - 2 - 7152/4.6=1 HD3 LYS 20 - HB3 GLU 69 lone 2 73 - 3 - HD3 LYS 20 - HB2 GLU 69 lone 2 73 - 3 - HD3 LYS 90 - HB2 GLU 69 lone 2 98 - 2 - HD3 LYS 90 - HB3 GLU 69 lone 2 98 - 2 - HD3 LYS 47 - HB2 GLU 69 lone 2 94 - 2 - HD3 LYS 47 - HB3 GLU 69 lone 2 94 - 2 - HD2 LYS 47 - HB2 GLU 69 lone 2 92 - 2 - HD2 LYS 47 - HB3 GLU 69 lone 2 92 - 2 - HG3 LYS 20 - HB2 GLU 69 lone 2 73 - 2 - HG3 LYS 20 - HB3 GLU 69 lone 2 73 - 2 - HB3 LYS 53 - HB3 GLU 69 lone 2 99 - 2 - HB3 LYS 53 - HB2 GLU 69 lone 2 99 - 2 - HD3 LYS 12 - HB2 GLU 69 lone 1 92 - 2 - HD2 LYS 12 - HB3 GLU 69 lone 1 92 - 2 - HD2 LYS 12 - HB2 GLU 69 lone 1 92 - 2 - HD3 LYS 12 - HB3 GLU 69 lone 1 92 - 2 - HD2 LYS 13 - HB3 GLU 69 lone 1 92 - 2 - HD2 LYS 13 - HB2 GLU 69 lone 1 92 - 2 - HD2 LYS 24 - HB3 GLU 69 lone 1 99 - 1 - HD2 LYS 24 - HB2 GLU 69 lone 1 99 - 1 - HD3 LYS 24 - HB3 GLU 69 lone 1 98 - 1 - HD3 LYS 24 - HB2 GLU 69 lone 1 98 - 1 - HD3 LYS 13 - HB2 GLU 69 lone 1 87 - 2 - HD3 LYS 13 - HB3 GLU 69 lone 1 87 - 2 - Peak 10803 from cnoeabs.peaks (7.45, 4.00, 59.02 ppm; 5.52 A): 1 out of 6 assignments used, quality = 0.75: HE22 GLN 72 + HA GLU 69 OK 75 94 - 80 - 1.7/10804=32, 9571=20...(10) HE ARG 19 - HA GLU 69 lone 4 100 - 4 - HE3 TRP 92 - HA GLU 69 lone 3 61 - 5 - 3225/9562=1 H ARG 91 - HA GLU 69 lone 3 57 - 6 - 3.9/10794=1 HD22 ASN 26 - HA GLU 69 lone 1 65 - 2 - HE ARG 46 - HA GLU 69 lone 1 57 - 3 - Peak 10804 from cnoeabs.peaks (6.85, 4.00, 59.02 ppm; 5.99 A): 1 out of 4 assignments used, quality = 0.83: HE21 GLN 72 + HA GLU 69 OK 83 99 - 84 - 1.7/10803=39, 9570=22...(10) HE2 TYR 41 - HA GLU 69 lone 3 98 - 3 - HE1 TYR 41 - HA GLU 69 lone 3 96 - 3 - HD1 TYR 41 - HA GLU 69 lone 3 61 - 4 - 6670/3093=2 Peak 10806 from cnoeabs.peaks (8.26, 4.00, 59.02 ppm; 4.80 A): 4 out of 4 assignments used, quality = 0.87: H ALA 71 + HA GLU 69 OK 71 99 - 71 - 4.6/7144=22, 7166/3.0=15...(18) H PHE 45 + HA GLU 69 OK 31 99 - 31 - 7155/3.6=9, 6727/4.1=4...(7) H LYS 94 + HA GLU 69 OK 26 100 - 26 - 7155/3.6=9, 12163/4.9=4...(8) H GLU 23 + HA GLU 69 OK 11 87 - 13 - 10805/3.0=5, 6357/4.9=3 Peak 10807 from cnoeabs.peaks (8.54, 2.34, 35.91 ppm; 5.76 A): 4 out of 9 assignments used, quality = 0.65: H GLN 50 + HG2 GLU 48 OK 27 54 - 50 - 4.6/6801=17, 9031/3.0=12...(9) H GLN 50 + HG2 GLU 16 OK 26 79 - 33 - 4.6/6801=11, 10630/1.8=5...(10) H ASN 51 + HG2 GLU 48 OK 22 72 - 31 - 9031/3.0=9, 4.0/12281=8...(6) H ASN 51 + HG2 GLU 16 OK 16 98 - 17 - 4.0/12281=5, 6830/3.0=4...(5) H VAL 58 - HG2 GLU 48 poor 8 67 - 12 - 9031/3.0=5, 12314/4.1=2...(4) H GLN 50 - HG3 GLU 69 lone 6 84 - 7 - 4.6/6801=3 H ASN 51 - HG3 GLU 69 lone 4 100 - 4 - 4.0/12281=1 H VAL 58 - HG2 GLU 16 lone 4 93 - 4 - H VAL 58 - HG3 GLU 69 lone 2 97 - 2 - Peak 10808 from cnoeabs.peaks (7.87, 1.37, 41.70 ppm; 5.42 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10809 from cnoeabs.peaks (7.87, 1.72, 41.70 ppm; 5.64 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10810 from cnoeabs.peaks (7.86, 4.02, 57.49 ppm; 4.23 A): 2 out of 3 assignments used, quality = 0.53: H LYS 73 + HA LEU 70 OK 46 77 - 60 - 9578=17, 4.7/10857=9...(16) H LEU 3 + HA LEU 70 OK 11 87 - 13 - 6022/4.0=2, 9588/10282=1...(7) H ASN 26 - HA LEU 70 lone 6 73 - 8 - 8608/4.9=3, 6419/3.6=2 Peak 10812 from cnoeabs.peaks (8.07, 0.81, 25.21 ppm; 5.00 A): 9 out of 12 assignments used, quality = 0.91: H ILE 15 + QD1 LEU 70 OK 46 97 - 47 - 6217/3.1=5, 4.0/648=5...(15) H LYS 39 + QD1 LEU 70 OK 45 73 - 62 - ~10822=28, 3.0/9546=15...(14) H GLU 75 + QD1 LEU 70 OK 22 94 - 23 - 4.6/9592=4, 4.3/9596=3...(9) H LYS 39 + QD2 LEU 38 OK 20 30 - 69 - 6596/4.5=20, 3.6/1620=16...(10) H LYS 13 + QD1 LEU 70 OK 16 96 - 16 - 3.6/9540=2, 4.8/10394=2 H LYS 13 + QD2 LEU 38 OK 15 43 - 36 - ~8385=10, 6167/3.1=4...(8) H GLU 17 + QD1 LEU 70 OK 13 99 - 13 - 6247/637=2, 4.6/6232=2 H GLU 75 + QD2 LEU 38 OK 12 42 - 29 - 7235/3.1=5, 6591/4.5=5...(8) H ILE 15 + QD2 LEU 38 OK 11 45 - 25 - 6591/4.5=3, 1633/3.1=3...(9) H GLU 17 - QD2 LEU 38 poor 5 48 - 11 - 4.6/10420=2, 6250/3.1=2 H SER 102 - QD1 LEU 70 lone 5 96 - 5 - H SER 102 - QD2 LEU 38 lone 4 43 - 9 - 4.6/7652=5 Peak 10813 from cnoeabs.peaks (1.49, 4.02, 57.49 ppm; 4.56 A): 7 out of 11 assignments used, quality = 0.94: HG2 LYS 73 + HA LEU 70 OK 58 100 - 59 - 4.9/10810=17...(13) HG3 LYS 66 + HA LEU 70 OK 48 100 - 48 - 10778/3.0=14, ~10778=10...(16) HG2 LYS 66 + HA LEU 70 OK 47 100 - 48 - 10778/3.0=14, ~10778=10...(16) HG LEU 57 + HA LEU 70 OK 20 94 - 21 - 2631/4.0=3, 10959/3.7=3...(11) HG3 LYS 13 + HA LEU 70 OK 14 99 - 14 - 10959/3.7=2, 10395/4.0=1...(4) HB3 LEU 64 + HA LEU 70 OK 13 100 - 13 - 10819/3.0=2, ~10819=1 HG2 LYS 47 + HA LEU 70 OK 11 100 - 11 - 3.0/10815=2, 3260/9578=1 HG LEU 64 - HA LEU 70 lone 8 87 - 9 - 10819/3.0=2, ~10819=1 HG3 LYS 24 - HA LEU 70 poor 8 73 - 10 - 2.9/10815=2, 2.9/10815=2 HB2 ARG 91 - HA LEU 70 lone 6 98 - 6 - HG3 LYS 33 - HA LEU 70 lone 6 87 - 6 - Peak 10814 from cnoeabs.peaks (0.69, 4.02, 57.49 ppm; 5.00 A): 7 out of 8 assignments used, quality = 0.93: QD1 LEU 42 + HA LEU 70 OK 66 98 - 67 - 1935/3.0=16...(11) QD2 LEU 14 + HA LEU 70 OK 37 81 - 46 - ~9544=11, 9543/3.0=9...(13) QD1 LEU 14 + HA LEU 70 OK 30 70 - 43 - 9544/3.0=13, 9543/3.0=7...(11) QD1 ILE 52 + HA LEU 70 OK 23 100 - 23 - 9152/3.6=5, 9542/3.0=5...(6) QD1 ILE 8 + HA LEU 70 OK 21 77 - 26 - 9543/3.0=5, 2.1/3126=5...(8) QG2 VAL 58 + HA LEU 70 OK 13 61 - 22 - 3.2/9390=7, 9544/3.0=4...(5) QD2 LEU 6 + HA LEU 70 OK 12 96 - 13 - 9543/3.0=3, 9542/3.0=3...(4) QD1 ILE 56 - HA LEU 70 lone 8 84 - 9 - 9542/3.0=2, 9543/3.0=2 Peak 10815 from cnoeabs.peaks (1.96, 4.02, 57.49 ppm; 3.71 A): 3 out of 12 assignments used, quality = 0.69: HB2 LYS 73 + HA LEU 70 OK 38 100 - 39 - 4.1/10810=14, 2.9/9581=7...(10) HB3 LYS 73 + HA LEU 70 OK 38 100 - 39 - 4.1/10810=14, 2.9/9581=7...(10) HB3 MET 74 + HA LEU 70 OK 19 98 - 19 - 4.0/10857=8, 4.2/10282=6 HB3 LYS 24 - HA LEU 70 lone 6 98 - 6 - HB2 LYS 24 - HA LEU 70 lone 6 98 - 6 - HB2 LYS 47 - HA LEU 70 lone 5 87 - 6 - HB3 ARG 46 - HA LEU 70 lone 5 100 - 5 - ~7139=2 HB VAL 32 - HA LEU 70 lone 4 73 - 6 - ~10335=1 HB2 GLU 17 - HA LEU 70 lone 3 77 - 3 - HB2 ARG 46 - HA LEU 70 lone 3 65 - 4 - ~7139=2 HB2 MET 1 - HA LEU 70 lone 2 77 - 2 - HG3 GLU 88 - HA LEU 70 lone 1 84 - 1 - Peak 10816 from cnoeabs.peaks (2.13, 4.02, 57.49 ppm; 4.39 A): 3 out of 10 assignments used, quality = 0.95: HB2 GLU 69 + HA LEU 70 OK 67 96 - 70 - 3109/3.0=15, ~7144=13...(19) HB3 GLU 69 + HA LEU 70 OK 67 96 - 70 - 3109/3.0=15, ~7144=13...(19) HG2 GLU 69 + HA LEU 70 OK 56 96 - 59 - 3116/3.0=18, ~3123=13...(13) HG2 GLU 44 - HA LEU 70 OK 34 100 - 34 - ~10185=7, 2023/3.6=6...(8) HB2 PRO 86 - HA LEU 70 OK 21 77 - 27 - ~7139=5, 2.3/3151=3...(13) HB3 GLU 37 - HA LEU 70 OK 20 94 - 21 - 8840/4.0=4, 8840/4.0=4...(9) HB2 GLU 75 - HA LEU 70 OK 12 100 - 11 - ~7144=2, 6726/3.6=1, 7145/3.0=1 HB3 GLU 23 - HA LEU 70 lone 2 61 - 4 - HG2 GLU 104 - HA LEU 70 lone 2 84 - 3 - HG2 GLU 88 - HA LEU 70 lone 2 97 - 2 - Peak 10817 from cnoeabs.peaks (3.87, 4.02, 57.49 ppm; 4.60 A): 6 out of 11 assignments used, quality = 0.92: HA LYS 94 + HA LEU 70 OK 68 99 - 68 - 3.0/11006=11...(18) HA LYS 40 + HA LEU 70 OK 42 99 - 43 - ~6638=6, 9541/4.0=5...(16) HA ALA 67 + HA LEU 70 OK 27 73 - 37 - 3.6/10789=10, 2978/3.0=8...(9) HA GLU 43 + HA LEU 70 OK 21 84 - 24 - ~6685=7, ~7141=6...(7) HA LEU 38 + HA LEU 70 OK 16 99 - 16 - 9541/4.0=4, 1620/4.0=4...(4) HA LYS 12 + HA LEU 70 OK 16 77 - 20 - 392/3.0=3, 3.7/9581=2...(7) HA GLU 35 - HA LEU 70 poor 9 70 - 14 - 9541/4.0=3, ~10276=3...(4) HA2 GLY 100 - HA LEU 70 lone 9 99 - 9 - HB3 SER 49 - HA LEU 70 lone 8 84 - 9 - 7140/3.0=1 HA2 GLY 101 - HA LEU 70 lone 7 99 - 7 - HA ARG 91 - HA LEU 70 lone 6 65 - 9 - 6721/3.6=1 Peak 10818 from cnoeabs.peaks (2.94, 4.02, 57.49 ppm; 5.52 A): 4 out of 7 assignments used, quality = 0.80: HE3 LYS 73 + HA LEU 70 OK 47 94 - 51 - 7.0/10810=15...(7) HE2 LYS 73 + HA LEU 70 OK 40 81 - 50 - 7.0/10810=15...(7) HE2 LYS 94 + HA LEU 70 OK 24 70 - 34 - 7.3/11006=8, 6.0/10817=7...(8) HG2 MET 21 + HA LEU 70 OK 15 100 - 15 - 8534/3.6=6, 8534/11006=3 HE3 LYS 90 - HA LEU 70 lone 6 100 - 6 - HB2 ASN 51 - HA LEU 70 lone 3 94 - 3 - HB2 ASN 10 - HA LEU 70 lone 2 94 - 2 - Peak 10821 from cnoeabs.peaks (2.88, 0.81, 24.20 ppm; 3.94 A): 3 out of 4 assignments used, quality = 0.71: HE3 LYS 39 + QD2 LEU 70 OK 37 100 - 37 - 6.3/10822=11, 8958=8...(9) HE2 LYS 39 + QD2 LEU 70 OK 36 97 - 37 - 6.3/10822=11, 1.8/8958=7...(10) HE2 LYS 66 + QD2 LEU 70 OK 30 70 - 43 - 2.9/12319=7, 2.9/10782=5...(17) HB2 ASN 60 - QD2 LEU 70 lone 3 81 - 3 - 4.0/9419=2 Peak 10822 from cnoeabs.peaks (3.60, 0.81, 24.20 ppm; 4.00 A): 1 out of 1 assignment used, quality = 0.46: HA LYS 39 + QD2 LEU 70 OK 46 92 - 50 - 8952=10, 9546/2.1=7...(16) Peak 10824 from cnoeabs.peaks (8.28, 2.23, 28.06 ppm; 5.50 A): 3 out of 5 assignments used, quality = 0.78: H ALA 71 + HB3 GLN 72 OK 55 65 - 85 - 2.9/10842=39...(10) H GLU 23 + HB3 GLN 72 OK 32 100 - 32 - 6364/3.0=5, 3.0/3201=5...(10) H LYS 94 + HB3 GLN 72 OK 28 81 - 35 - 10035/3.0=7, 6.3/10841=6...(9) H PHE 45 - HB3 GLN 72 lone 7 65 - 10 - 7168/3.9=4, 10825/1.8=1 H LEU 103 - HB3 GLN 72 lone 6 94 - 6 - 10805/3200=4 Peak 10825 from cnoeabs.peaks (8.26, 2.16, 28.06 ppm; 6.29 A): 2 out of 5 assignments used, quality = 0.96: H ALA 71 + HB2 GLN 72 OK 91 100 - 91 - 2.9/10846=42, ~10842=36...(10) H LYS 94 + HB2 GLN 72 OK 52 99 - 53 - 10035/3.0=12, 7168/3.9=8...(16) H GLU 23 - HB2 GLN 72 OK 27 73 - 37 - 3.0/3192=6, 10824/1.8=5...(12) H LEU 27 - HB2 GLN 72 OK 20 61 - 32 - 10856/4.6=11, 4.6/3199=9...(5) H PHE 45 - HB2 GLN 72 OK 17 100 - 17 - 7168/3.9=6, 10856/4.6=2...(5) Peak 10828 from cnoeabs.peaks (7.74, 3.85, 55.14 ppm; 4.04 A): 3 out of 10 assignments used, quality = 0.80: H MET 74 + HA ALA 71 OK 65 99 - 66 - ~10871=12, 4.0/10279=10...(15) H VAL 78 + HA ALA 71 OK 32 84 - 39 - ~9688=12, 9683/2.1=9...(8) H GLU 37 + HA ALA 71 OK 14 100 - 14 - 10826/3.6=2, 3358/9552=1...(5) H MET 74 - HA ALA 67 poor 9 52 - 17 - 4.8/9611=3, 4.8/9613=3...(7) H GLU 37 - HA ALA 67 lone 5 54 - 10 - 6567/3.6=3, 8831/8934=1 H ASN 60 - HA ALA 71 lone 4 90 - 5 - H SER 49 - HA ALA 71 lone 3 73 - 4 - H VAL 78 - HA ALA 67 lone 3 39 - 6 - 4.0/10838=1 H ASN 60 - HA ALA 67 lone 2 43 - 4 - 9416/2.1=1 H SER 49 - HA ALA 67 lone 1 33 - 4 - Peak 10829 from cnoeabs.peaks (7.56, 3.85, 55.14 ppm; 4.58 A): 3 out of 8 assignments used, quality = 0.68: H ILE 76 + HA ALA 71 OK 57 100 - 57 - 9649=20, 4.5/10837=19...(9) H LEU 14 + HA ALA 71 OK 16 98 - 16 - 6186=3, 4.6/6206=2...(6) H LYS 24 + HA ALA 71 OK 12 77 - 15 - ~12295=3, 4.0/10347=2 H ILE 76 - HA ALA 67 poor 8 54 - 15 - 9649=3, 4.5/10837=2...(4) H GLU 88 - HA ALA 71 lone 7 84 - 9 - 3433/10837=2 H LEU 14 - HA ALA 67 poor 7 51 - 13 - 6186=2, 4.6/6206=2...(4) H GLU 88 - HA ALA 67 lone 2 39 - 4 - H LYS 24 - HA ALA 67 lone 2 35 - 4 - Peak 10830 from cnoeabs.peaks (7.76, 1.41, 18.49 ppm; 4.48 A): 2 out of 3 assignments used, quality = 0.88: H VAL 78 + QB ALA 71 OK 76 98 - 77 - 3.8/9685=31, 3.0/9688=23...(9) H MET 74 + QB ALA 71 OK 50 81 - 62 - 3.0/10871=22...(13) H GLU 37 - QB ALA 71 poor 9 61 - 14 - 10826/3.6=3, 10848/5.0=2...(6) Peak 10831 from cnoeabs.peaks (4.01, 3.85, 55.14 ppm; 4.20 A): 6 out of 8 assignments used, quality = 0.94: HA LEU 70 + HA ALA 71 OK 73 84 - 87 - 4.9=64, 3.0/3141=9...(17) HA GLU 69 + HA ALA 71 OK 41 87 - 48 - 9554/3.6=12...(8) HA GLU 75 + HA ALA 71 OK 40 98 - 41 - 9616/2.1=17...(5) HA GLU 69 + HA ALA 67 OK 19 41 - 45 - 10789/3.6=11...(10) HA LEU 70 + HA ALA 67 OK 14 39 - 35 - 10789/3.6=9, 3.0/7140=7...(8) HA GLU 95 + HA ALA 71 OK 13 73 - 18 - 7158/3.0=5, ~7528=4...(5) HA GLU 75 - HA ALA 67 lone 4 51 - 8 - 10789/3.6=2, 3.5/10829=2 HA GLU 95 - HA ALA 67 poor 4 33 - 13 - 11012/2.1=2, 10789/3.6=2...(5) Peak 10832 from cnoeabs.peaks (4.00, 1.41, 18.49 ppm; 4.76 A): 3 out of 4 assignments used, quality = 0.92: HA GLU 69 + QB ALA 71 OK 61 99 - 62 - 10806/2.9=16...(12) HA GLU 75 + QB ALA 71 OK 57 100 - 57 - 9616=26, 9554/3.6=12...(12) HA LEU 70 + QB ALA 71 OK 49 57 - 86 - 3.6/7165=38...(19) HB3 SER 97 - QB ALA 71 lone 5 73 - 6 - Peak 10833 from cnoeabs.peaks (3.99, 4.15, 58.53 ppm; 4.01 A): 5 out of 10 assignments used, quality = 0.76: HA GLU 69 + HA GLN 72 OK 38 64 - 60 - 9560/3.0=16, 3087/3.0=12...(14) HA GLU 75 + HA GLN 72 OK 31 52 - 60 - 9619=12, 9560/3.0=9...(16) HA GLU 75 + HA LYS 13 OK 28 84 - 34 - 3.5/9650=7, 9619=7...(9) HD2 PRO 86 + HA LYS 13 OK 12 90 - 13 - ~10953=2, 9851/3.6=1...(4) HD3 PRO 86 + HA LYS 13 OK 12 87 - 13 - ~10953=2, 9851/3.6=1...(4) HB3 SER 97 - HA GLN 72 lone 6 68 - 8 - 9560/3.0=3, 9562/3.9=1 HA GLU 69 - HA LYS 13 lone 4 97 - 5 - HB3 SER 97 - HA LYS 13 lone 2 99 - 2 - HD2 PRO 86 - HA GLN 72 lone 2 57 - 4 - 9560/3.0=1 HD3 PRO 86 - HA GLN 72 lone 2 54 - 4 - 9560/3.0=1 Peak 10834 from cnoeabs.peaks (1.64, 1.41, 18.49 ppm; 3.89 A): 5 out of 10 assignments used, quality = 0.73: HB ILE 76 + QB ALA 71 OK 47 100 - 47 - 9648/2.1=15, ~10837=12...(13) HG2 LYS 68 + QB ALA 71 OK 24 100 - 25 - 10790/5.0=8, 3031/3.6=6...(6) HD2 LYS 94 + QB ALA 71 OK 15 57 - 26 - 10836/2.1=4, ~4241=3...(12) HD3 LYS 68 + QB ALA 71 OK 12 97 - 12 - 9556/3.6=3, ~10823=2...(4) HD2 LYS 68 + QB ALA 71 OK 11 96 - 12 - 9556/3.6=3, ~10823=2...(4) HB2 LYS 40 - QB ALA 71 lone 9 100 - 9 - HD3 LYS 39 - QB ALA 71 lone 7 100 - 7 - 9556/3.6=1, 10836/2.1=1 HD2 LYS 39 - QB ALA 71 lone 5 92 - 5 - ~10836=1 HB3 LEU 6 - QB ALA 71 lone 4 99 - 4 - 10655/10210=1 HB3 ARG 79 - QB ALA 71 lone 3 92 - 4 - 10289/10290=1, 10908/10292=1 Peak 10835 from cnoeabs.peaks (1.78, 1.41, 18.49 ppm; 3.65 A): 1 out of 7 assignments used, quality = 0.80: HB VAL 78 + QB ALA 71 OK 80 100 - 81 - 9685=48, 2.1/10292=26...(9) HB2 LYS 66 - QB ALA 71 lone 6 90 - 7 - 10776/3.6=2, ~10823=1 HG3 ARG 46 - QB ALA 71 lone 5 92 - 5 - HB ILE 56 - QB ALA 71 lone 5 81 - 6 - ~9322=1, 3474/9688=1 HB3 GLU 63 - QB ALA 71 lone 5 100 - 4 - HB3 LYS 82 - QB ALA 71 lone 3 84 - 4 - HG3 ARG 19 - QB ALA 71 lone 1 70 - 1 - Peak 10836 from cnoeabs.peaks (1.63, 3.85, 55.14 ppm; 4.09 A): 5 out of 14 assignments used, quality = 0.77: HB ILE 76 + HA ALA 71 OK 45 81 - 56 - 3.0/10837=20...(11) HD2 LYS 94 + HA ALA 71 OK 31 98 - 31 - 4230/3.0=5, ~4241=4...(11) HG2 LYS 68 + HA ALA 71 OK 18 87 - 20 - 9556/3.6=6, 10834/2.1=4...(5) HD2 LYS 94 + HA ALA 67 OK 15 51 - 31 - 4234/2.1=4, ~4245=3...(13) HG2 LYS 68 + HA ALA 67 OK 14 41 - 33 - 3021/3.6=12, ~10784=4...(8) HD3 LYS 39 - HA ALA 71 lone 8 90 - 9 - 9556/3.6=2, 10834/2.1=1 HB2 LYS 40 - HA ALA 71 lone 7 73 - 9 - 10834/2.1=2 HG3 LYS 47 - HA ALA 71 lone 7 96 - 7 - 9556/3.6=3 HD3 LYS 39 - HA ALA 67 poor 6 43 - 15 - 7109/3.6=3, 2990/4.8=2 HB ILE 76 - HA ALA 67 poor 4 37 - 12 - 3.0/10837=2, 2.1/9651=2...(5) HB2 LYS 40 - HA ALA 67 lone 3 33 - 9 - 7109/3.6=2, ~2983=1, ~7094=1 HB3 LEU 6 - HA ALA 71 lone 2 65 - 4 - HG3 LYS 47 - HA ALA 67 lone 2 48 - 4 - HB3 LEU 6 - HA ALA 67 lone 1 29 - 5 - 8236/9322=3 Peak 10837 from cnoeabs.peaks (1.10, 3.85, 55.14 ppm; 4.93 A): 1 out of 2 assignments used, quality = 0.56: HG12 ILE 76 + HA ALA 71 OK 56 94 - 59 - 4.5/10829=14...(12) HG12 ILE 76 - HA ALA 67 poor 7 47 - 14 - 3.2/9651=3, ~10286=2...(5) Peak 10838 from cnoeabs.peaks (0.74, 3.85, 55.14 ppm; 3.17 A): 7 out of 20 assignments used, quality = 0.82: QG1 VAL 78 + HA ALA 71 OK 56 100 - 56 - 10290/2.1=19, ~9685=14...(10) QG2 ILE 93 + HA ALA 71 OK 19 99 - 19 - 4145/3.0=3, 3.2/10998=3...(9) HG13 ILE 15 + HA ALA 71 OK 15 94 - 16 - 3.2/10121=3, 2.9/644=2...(7) HG13 ILE 93 + HA ALA 71 OK 13 100 - 13 - 4.0/10998=2, 9553/2.1=2...(7) QD2 LEU 27 + HA ALA 71 OK 13 73 - 17 - 9553/2.1=3, 3.1/8639=2...(10) QD1 ILE 15 + HA ALA 71 OK 12 81 - 15 - 3.0/10121=3, 3.2/644=2...(4) QG1 VAL 54 + HA ALA 71 OK 11 73 - 15 - 10210/2.1=7, 10658=4...(4) QD1 LEU 64 - HA ALA 67 poor 9 53 - 18 - 10254/2.1=5, 9531/3.6=3...(8) QG1 VAL 78 - HA ALA 67 poor 6 54 - 12 - 10904/4.8=4, 9531/3.6=2 QD1 LEU 64 - HA ALA 71 lone 6 99 - 6 - 2849/3.6=2, 9553/2.1=1 QG2 ILE 93 - HA ALA 67 lone 4 52 - 8 - 10320/2.1=1 QG1 VAL 5 - HA ALA 71 lone 4 61 - 6 - 9553/2.1=2, ~10370=2, ~10823=1 HG13 ILE 15 - HA ALA 67 lone 3 47 - 6 - 3.2/10121=1, 2.9/644=1 HG13 ILE 93 - HA ALA 67 lone 3 54 - 5 - QD1 ILE 15 - HA ALA 67 lone 2 37 - 6 - 3.0/10121=1, 3.2/644=1 QD2 LEU 27 - HA ALA 67 lone 2 33 - 7 - 9531/3.6=1 QG1 VAL 54 - HA ALA 67 lone 2 33 - 7 - 10658=2 HG3 ARG 81 - HA ALA 71 lone 1 98 - 2 - QG1 VAL 5 - HA ALA 67 lone 1 27 - 5 - 9531/3.6=1 HG3 ARG 81 - HA ALA 67 lone 1 51 - 1 - Peak 10839 from cnoeabs.peaks (1.98, 2.23, 28.06 ppm; 4.39 A): 4 out of 8 assignments used, quality = 0.71: HB2 LYS 47 + HB3 GLN 72 OK 34 77 - 45 - 3.0/10841=11...(17) QE MET 1 + HB3 GLN 72 OK 28 97 - 29 - 37/3.0=5, 3.3/3204=5...(10) HB3 MET 1 + HB3 GLN 72 OK 23 61 - 37 - 3.0/3204=5, 3.0/3201=4...(16) QE MET 74 + HB3 GLN 72 OK 20 65 - 30 - 3.4/3205=8, ~3196=5...(10) HB2 GLU 37 - HB3 GLN 72 lone 2 98 - 2 - 8809/4.4=1 HB2 GLU 44 - HB3 GLN 72 lone 2 70 - 3 - HB3 GLU 44 - HB3 GLN 72 lone 2 70 - 3 - HB2 ARG 46 - HB3 GLN 72 lone 2 94 - 2 - Peak 10841 from cnoeabs.peaks (1.63, 2.23, 28.06 ppm; 4.85 A): 3 out of 5 assignments used, quality = 0.81: HG3 LYS 47 + HB3 GLN 72 OK 55 100 - 56 - 1.8/12182=13...(17) HD2 LYS 94 + HB3 GLN 72 OK 36 100 - 37 - ~9565=7, 3.0/12256=5...(10) HG2 LYS 68 + HB3 GLN 72 OK 32 70 - 47 - 10790/3.0=10, ~12167=8...(11) HB ILE 76 - HB3 GLN 72 lone 6 61 - 10 - 9556/3.9=3...(3) HD3 LYS 39 - HB3 GLN 72 lone 5 73 - 7 - 9556/3.9=2 Peak 10842 from cnoeabs.peaks (1.41, 2.23, 28.06 ppm; 4.69 A): 1 out of 2 assignments used, quality = 0.80: QB ALA 71 + HB3 GLN 72 OK 80 99 - 81 - 7170/3.9=35...(10) HG12 ILE 7 - HB3 GLN 72 lone 6 61 - 10 - 10846/1.8=4, 7170/3.9=3 Peak 10845 from cnoeabs.peaks (1.61, 2.16, 28.06 ppm; 5.11 A): 6 out of 10 assignments used, quality = 0.91: HG3 LYS 47 + HB2 GLN 72 OK 52 92 - 57 - 10841/1.8=12, ~12182=11...(17) HG3 LYS 73 + HB2 GLN 72 OK 47 81 - 58 - 4.9/3199=20, ~12182=10...(17) HD2 LYS 94 + HB2 GLN 72 OK 32 87 - 37 - ~9565=8, 10841/1.8=8...(10) HD3 LYS 94 + HB2 GLN 72 OK 30 81 - 38 - ~10841=9, ~9565=8...(10) HB2 ARG 30 + HB2 GLN 72 OK 14 94 - 15 - ~9565=5, 8697/4.4=3...(4) HG LEU 27 + HB2 GLN 72 OK 12 81 - 15 - ~9566=3, 7208/4.6=2...(7) HG3 LYS 12 - HB2 GLN 72 poor 8 65 - 12 - 7208/4.6=2, 12183=2...(5) HD2 LYS 66 - HB2 GLN 72 lone 4 90 - 5 - 7208/4.6=2 HB2 ARG 79 - HB2 GLN 72 lone 3 87 - 4 - 7208/4.6=1 HB3 LEU 29 - HB2 GLN 72 lone 2 73 - 3 - Peak 10846 from cnoeabs.peaks (1.41, 2.16, 28.06 ppm; 4.81 A): 1 out of 2 assignments used, quality = 0.84: QB ALA 71 + HB2 GLN 72 OK 84 100 - 84 - 7170/3.9=37...(12) HG12 ILE 7 - HB2 GLN 72 poor 8 81 - 10 - 10842/1.8=3, 7170/3.9=3 Peak 10848 from cnoeabs.peaks (7.75, 4.15, 58.19 ppm; 3.92 A): 3 out of 6 assignments used, quality = 0.69: H MET 74 + HA GLN 72 OK 50 94 - 54 - 7213/3.6=19...(12) H VAL 78 + HA GLN 72 OK 23 100 - 23 - 10830/5.0=9, 10826/3.0=8 H MET 74 + HA LYS 13 OK 19 61 - 31 - 9583/3.6=5, 7231/2.9=5...(14) H GLU 37 - HA GLN 72 poor 10 81 - 12 - 7213/3.6=4, 10826/3.0=3 H VAL 78 - HA LYS 13 lone 5 70 - 7 - 9683/3.9=1 H GLU 37 - HA LYS 13 lone 3 49 - 6 - 6577/2.9=2 Peak 10850 from cnoeabs.peaks (0.73, 4.17, 57.87 ppm; 5.06 A): 0 out of 12 assignments used, low quality = 0.26: QG2 VAL 78 - HA LYS 73 OK 14 99 - 14 - 3484/3.6=7, 4.0/3237=5 QD2 LEU 27 - HA LYS 73 OK 14 100 - 14 - 2.1/3232=3, ~7208=2...(5) QD1 ILE 8 - HA LYS 73 poor 9 70 - 13 - 9593/3.6=3, ~9576=2...(5) QD2 LEU 14 - HA LYS 73 lone 6 65 - 10 - 9593/3.6=4, ~9576=1, 4.9/6208=1 QG1 VAL 78 - HA LYS 73 lone 6 61 - 10 - 4.0/3237=5, 3490/3.6=3 QD1 LEU 64 - HA LYS 73 lone 5 77 - 7 - ~7207=1, 3.1/3231=1 QG1 VAL 58 - HA LYS 73 lone 5 98 - 5 - 4.2/6963=1, 9593/3.6=1 QG1 VAL 5 - HA LYS 73 lone 3 100 - 3 - HG13 ILE 56 - HA LYS 73 lone 3 87 - 4 - 9593/3.6=1 QD1 ILE 56 - HA LYS 73 lone 2 61 - 4 - 9593/3.6=2 HG13 ILE 93 - HA LYS 73 lone 2 70 - 2 - HG3 ARG 81 - HA LYS 73 lone 1 84 - 2 - Peak 10851 from cnoeabs.peaks (0.78, 1.96, 32.28 ppm; 4.35 A): 6 out of 36 assignments used, quality = 0.50: QD1 LEU 27 + HB2 LYS 73 OK 11 94 - 12 - ~10850=3, 1224/2.9=1, ~3232=1 QD1 LEU 27 + HB3 LYS 73 OK 11 94 - 12 - ~10850=3, 1224/2.9=1, ~3232=1 QG2 ILE 52 + HB3 LYS 73 OK 11 100 - 11 - 2352/3.6=2, 2352/3.6=2 QG2 ILE 52 + HB2 LYS 73 OK 11 100 - 11 - 2352/3.6=2, 2352/3.6=2 QG2 ILE 8 + HB2 LYS 73 OK 10 94 - 11 - ~10850=2, 12205/1.8=1 QG2 ILE 8 + HB3 LYS 73 OK 10 94 - 11 - ~10850=2, 12205/1.8=1 QD1 LEU 27 - HB3 LYS 24 poor 7 66 - 10 - 8613/4.4=3 QD1 LEU 27 - HB2 LYS 24 poor 7 66 - 10 - 8613/4.4=3 QD1 ILE 93 - HB2 LYS 24 lone 6 68 - 9 - 11001/4.4=4 QD1 ILE 93 - HB3 LYS 24 lone 6 68 - 9 - 11001/4.4=4 QD2 LEU 57 - HB3 LYS 73 lone 5 65 - 7 - QD2 LEU 57 - HB2 LYS 73 lone 5 65 - 7 - QD1 ILE 93 - HB3 LYS 73 lone 4 96 - 5 - QD1 ILE 93 - HB2 LYS 73 lone 4 95 - 5 - QG2 ILE 52 - HB3 LYS 24 lone 4 75 - 5 - QG2 ILE 52 - HB2 LYS 24 lone 4 75 - 5 - QD1 ILE 15 - HB3 LYS 73 lone 4 65 - 6 - ~12297=1 QD1 ILE 15 - HB2 LYS 73 lone 4 65 - 6 - ~12297=1 QD2 LEU 42 - HB3 LYS 24 lone 4 61 - 6 - 10341/1.8=1 QD2 LEU 42 - HB2 LYS 24 lone 4 61 - 6 - 10341/1.8=1 QD1 ILE 15 - HB2 LYS 24 lone 4 42 - 8 - 8613/4.4=1 QD1 ILE 15 - HB3 LYS 24 lone 4 42 - 8 - 8613/4.4=1 QD1 LEU 6 - HB3 LYS 73 lone 3 97 - 3 - QD1 LEU 6 - HB2 LYS 73 lone 3 97 - 3 - QD2 LEU 42 - HB2 LYS 73 lone 3 89 - 3 - 10595/12188=1 QD2 LEU 42 - HB3 LYS 73 lone 3 90 - 3 - 10595/12188=1 QG1 VAL 54 - HB3 LYS 73 lone 2 73 - 3 - QG1 VAL 54 - HB2 LYS 73 lone 2 73 - 3 - QD1 LEU 6 - HB2 LYS 24 lone 2 69 - 3 - QD1 LEU 6 - HB3 LYS 24 lone 2 69 - 3 - QD2 LEU 57 - HB2 LYS 24 lone 2 42 - 4 - QD2 LEU 57 - HB3 LYS 24 lone 2 42 - 4 - QG1 VAL 54 - HB2 LYS 24 lone 1 48 - 3 - QG1 VAL 54 - HB3 LYS 24 lone 1 48 - 3 - QG2 ILE 8 - HB3 LYS 24 lone 1 66 - 2 - QG2 ILE 8 - HB2 LYS 24 lone 1 66 - 2 - Peak 10852 from cnoeabs.peaks (0.76, 1.49, 25.00 ppm; 3.91 A): 2 out of 36 assignments used, quality = 0.52: QD1 ILE 15 + HG3 LYS 13 OK 31 92 - 35 - 677/4.8=5, ~10394=4...(13) HG13 ILE 15 + HG3 LYS 13 OK 29 90 - 33 - 669/4.8=4, ~10394=4...(13) QD2 LEU 42 - HG3 LYS 13 poor 9 84 - 11 - ~8915=1, ~8918=1, ~8387=1 QG1 VAL 54 - HG3 LYS 13 lone 9 91 - 10 - 10210/1.8=4, 8383/4.8=1 QD1 LEU 27 - HG2 LYS 73 lone 7 92 - 8 - 1224/1.8=1 QD1 ILE 15 - HG2 LYS 47 lone 7 100 - 7 - HG13 ILE 15 - HG2 LYS 47 lone 7 99 - 7 - QD1 ILE 15 - HG2 LYS 73 lone 6 100 - 6 - HG13 ILE 15 - HG2 LYS 73 lone 6 99 - 6 - QD2 LEU 42 - HG2 LYS 47 lone 4 95 - 4 - 10341/3.0=1 QG1 VAL 78 - HG3 LYS 13 lone 4 72 - 5 - 10290/1.8=1 QD1 ILE 93 - HG3 LYS 13 lone 4 78 - 5 - 10327/1.8=1 QG1 VAL 54 - HG2 LYS 47 lone 4 100 - 4 - QG2 ILE 93 - HG3 LYS 13 lone 4 84 - 4 - QD1 LEU 64 - HG2 LYS 73 lone 4 70 - 5 - QG1 VAL 54 - HG2 LYS 73 lone 4 100 - 4 - QD1 ILE 93 - HG2 LYS 73 lone 4 90 - 4 - QD1 LEU 64 - HG2 LYS 47 lone 3 69 - 5 - QG1 VAL 78 - HG2 LYS 73 lone 3 84 - 4 - 4.0/3270=2 QG2 ILE 93 - HG2 LYS 73 lone 3 96 - 3 - QD1 LEU 27 - HG3 LYS 13 lone 3 80 - 3 - 8383/4.8=1 QD1 ILE 93 - HG2 LYS 47 lone 3 89 - 3 - QG2 ILE 93 - HG2 LYS 47 lone 2 95 - 3 - QD1 LEU 27 - HG2 LYS 47 lone 2 91 - 3 - QD1 LEU 6 - HG2 LYS 73 lone 2 87 - 2 - QD1 LEU 64 - HG3 LYS 13 lone 2 58 - 4 - QD2 LEU 42 - HG2 LYS 73 lone 2 96 - 2 - HG13 ILE 93 - HG3 LYS 13 lone 2 65 - 3 - QG1 VAL 78 - HG2 LYS 47 lone 2 83 - 2 - HG13 ILE 93 - HG2 LYS 73 lone 2 77 - 2 - QD1 LEU 6 - HG3 LYS 13 lone 1 75 - 2 - HG13 ILE 93 - HG2 LYS 47 lone 1 77 - 2 - QD1 LEU 6 - HG2 LYS 47 lone 1 86 - 1 - HG3 ARG 81 - HG2 LYS 73 lone 1 61 - 1 - HG3 ARG 81 - HG3 LYS 13 lone 0 51 - 1 - HG3 ARG 81 - HG2 LYS 47 lone 0 61 - 1 - Peak 10853 from cnoeabs.peaks (0.75, 1.60, 25.00 ppm; 4.50 A): 7 out of 24 assignments used, quality = 0.95: QD1 ILE 15 + HG3 LYS 12 OK 66 93 - 71 - 8438/4.7=13, 8446/3.7=12...(22) HG13 ILE 15 + HG3 LYS 12 OK 61 96 - 64 - 8381/3.7=10, 8380/4.7=8...(27) QD1 LEU 27 + HG3 LYS 12 OK 32 73 - 45 - 10484/3.0=4, 10484/3.0=4...(21) QG1 VAL 54 + HG3 LYS 12 OK 15 90 - 17 - 10658/3.7=5, 8380/4.7=2 QG2 ILE 93 + HG3 LYS 12 OK 13 94 - 14 - 10326/1.8=2, 12249/3.7=2...(5) QD1 LEU 27 + HG3 LYS 73 OK 13 81 - 16 - 10852/1.8=2, 2.1/1216=2...(6) QD1 ILE 15 + HG3 LYS 73 OK 10 99 - 10 - 10852/1.8=2 QD2 LEU 42 - HG3 LYS 12 poor 9 79 - 12 - 8924/3.7=2, ~8915=1, 8923/4.0=1 HG13 ILE 15 - HG3 LYS 73 lone 9 100 - 9 - 10852/1.8=1, ~10852=1 QG1 VAL 78 - HG3 LYS 12 lone 9 87 - 10 - 10351/3.0=1, 10351/3.0=1 QG2 ILE 93 - HG3 LYS 73 lone 8 99 - 8 - 4.3/7518=1 QG1 VAL 78 - HG3 LYS 73 lone 8 94 - 8 - 4.0/3281=3, 4.3/7289=1 QD1 ILE 93 - HG3 LYS 12 poor 8 70 - 11 - 10327/1.8=2, 8381/3.7=1 QD1 LEU 64 - HG3 LYS 73 lone 6 84 - 7 - HG13 ILE 93 - HG3 LYS 12 lone 6 82 - 7 - ~10327=2 QG1 VAL 54 - HG3 LYS 73 lone 6 97 - 6 - QD1 ILE 93 - HG3 LYS 73 lone 5 77 - 6 - HG13 ILE 93 - HG3 LYS 73 lone 4 90 - 5 - QD1 LEU 64 - HG3 LYS 12 lone 3 76 - 4 - QD2 LEU 42 - HG3 LYS 73 lone 3 87 - 3 - QD1 LEU 6 - HG3 LYS 73 lone 3 73 - 3 - QD1 LEU 6 - HG3 LYS 12 lone 2 66 - 3 - HG3 ARG 81 - HG3 LYS 12 lone 1 70 - 2 - HG3 ARG 81 - HG3 LYS 73 lone 1 77 - 2 - Peak 10854 from cnoeabs.peaks (0.80, 1.67, 28.90 ppm; 3.83 A): 0 out of 27 assignments used, low quality = 0.24: QG2 ILE 52 - HD3 LYS 73 OK 13 70 - 19 - 3.1/2376=2, 3.2/2360=2...(8) QG2 ILE 52 - HD2 LYS 73 OK 13 68 - 19 - 3.1/2376=2, 3.2/2360=2...(8) QD1 ILE 76 - HD3 LYS 73 lone 10 99 - 10 - 9670/3.6=2, 10395/3.0=2...(5) QD1 ILE 76 - HD2 LYS 73 lone 10 98 - 10 - 9670/3.6=2, 10395/3.0=2...(5) QD2 LEU 70 - HD3 LYS 73 poor 9 87 - 10 - 4.0/9580=2, 9577/6.4=2...(4) QD2 LEU 70 - HD2 LYS 73 poor 9 85 - 11 - 4.0/9580=2, 9577/6.4=2...(4) QD2 LEU 2 - HD3 LYS 73 lone 8 84 - 9 - 9577/6.4=3, 12297/5.1=3 QD2 LEU 2 - HD2 LYS 73 lone 7 82 - 9 - 9577/6.4=3, 12297/5.1=3 QG2 ILE 8 - HD3 LYS 20 poor 7 38 - 18 - 12205/3.5=5, 299/3.5=2...(6) QD2 LEU 57 - HD3 LYS 73 lone 6 100 - 6 - 2637/3.0=1 QG2 ILE 52 - HD3 LYS 20 poor 6 25 - 26 - 3.1/2376=2, 3.2/2360=2...(12) QD2 LEU 57 - HD2 LYS 73 lone 6 99 - 6 - 2637/3.0=1 QD1 LEU 70 - HD3 LYS 73 lone 5 57 - 9 - 4.0/9580=2, 9577/6.4=1 QD1 LEU 70 - HD2 LYS 73 lone 5 56 - 9 - 4.0/9580=2, 9577/6.4=1 QG2 ILE 8 - HD3 LYS 73 lone 4 94 - 4 - 12205/3.6=1 QG2 ILE 8 - HD2 LYS 73 lone 4 92 - 4 - 12205/3.6=1 QG2 ILE 15 - HD3 LYS 73 lone 4 81 - 5 - QG2 ILE 15 - HD2 LYS 73 lone 4 79 - 5 - QG2 ILE 7 - HD3 LYS 73 lone 3 100 - 3 - QG2 ILE 7 - HD2 LYS 73 lone 3 99 - 3 - QD1 ILE 76 - HD3 LYS 20 lone 1 42 - 2 - QG2 ILE 15 - HD3 LYS 20 lone 1 30 - 3 - QD2 LEU 2 - HD3 LYS 20 lone 1 32 - 2 - QG2 ILE 7 - HD3 LYS 20 lone 1 43 - 2 - QD2 LEU 57 - HD3 LYS 20 lone 1 44 - 1 - QD2 LEU 70 - HD3 LYS 20 lone 1 33 - 2 - QD1 LEU 70 - HD3 LYS 20 lone 0 20 - 1 - Peak 10859 from cnoeabs.peaks (4.17, 4.40, 55.19 ppm; 4.39 A): 2 out of 7 assignments used, quality = 0.93: HA LYS 73 + HA MET 74 OK 90 100 - 90 - 4.8=74, ~7213=12...(17) HA GLN 72 + HA MET 74 OK 34 65 - 52 - 5.0/10871=15, ~10826=9...(10) HA MET 1 - HA MET 74 OK 26 77 - 33 - 3.0/3332=6, 7216/3.0=4...(12) HA LYS 13 - HA MET 74 OK 18 65 - 28 - 9618/3.6=5, 2.9/3333=5...(9) HB2 SER 59 - HA MET 74 OK 12 81 - 14 - ~2687=2, ~10857=2...(7) HA GLU 98 - HA MET 74 lone 2 77 - 3 - HB3 SER 85 - HA MET 74 lone 1 65 - 2 - Peak 10860 from cnoeabs.peaks (3.85, 2.06, 33.37 ppm; 5.95 A): 3 out of 8 assignments used, quality = 0.95: HA ALA 71 + HB2 MET 74 OK 86 98 - 87 - ~10871=27, 9552/2.9=25...(11) HB3 SER 49 + HB2 MET 74 OK 44 99 - 45 - ~10863=8, 9068/4.2=7...(10) HA ALA 67 + HB2 MET 74 OK 36 100 - 36 - ~9597=9, 9611/2.9=8...(7) HA LYS 12 - HB2 MET 74 OK 26 100 - 26 - 3.6/3341=6, 9611/2.9=4...(7) HA LYS 40 - HB2 MET 74 OK 15 84 - 17 - 10858/4.0=4, 9611/2.9=3...(4) HA LYS 94 - HB2 MET 74 OK 12 81 - 14 - ~10035=4, 10858/4.0=2 HA2 GLY 100 - HB2 MET 74 poor 9 81 - 11 - 9611/2.9=3, 10091/4.2=3 HA2 GLY 101 - HB2 MET 74 lone 7 81 - 8 - 9611/2.9=1, 10858/4.0=1 Peak 10861 from cnoeabs.peaks (3.84, 1.96, 33.37 ppm; 5.79 A): 5 out of 5 assignments used, quality = 0.93: HA ALA 71 + HB3 MET 74 OK 81 96 - 85 - ~10871=25, 9552/2.9=24...(12) HA ALA 67 + HB3 MET 74 OK 24 73 - 33 - ~9597=8, 9613/2.9=8...(7) HB3 SER 49 + HB3 MET 74 OK 24 61 - 39 - ~10863=8, 1.8/9062=8...(9) HA ALA 22 + HB3 MET 74 OK 24 90 - 26 - 9613/2.9=4, 10448/3.0=4...(9) HA LYS 12 + HB3 MET 74 OK 15 70 - 21 - 3.6/3349=5, 9613/2.9=4...(7) Peak 10862 from cnoeabs.peaks (4.17, 2.62, 33.04 ppm; 6.06 A): 3 out of 5 assignments used, quality = 0.96: HA LYS 73 + HG3 MET 74 OK 84 99 - 85 - 3.6/7229=31, 4.8/3331=27...(16) HA GLN 72 + HG3 MET 74 OK 53 84 - 63 - 10848/4.8=13...(10) HA MET 1 + HG3 MET 74 OK 48 92 - 53 - 9612/1.8=8, 3.0/3364=7...(16) HA LYS 13 - HG3 MET 74 OK 37 84 - 44 - 9618/4.8=8, 9612/1.8=7...(10) HB2 SER 59 - HG3 MET 74 OK 25 94 - 26 - 1.8/10863=5, 9612/1.8=4...(7) Peak 10863 from cnoeabs.peaks (4.05, 2.62, 33.04 ppm; 6.50 A): 4 out of 5 assignments used, quality = 0.80: HB2 SER 49 + HG3 MET 74 OK 43 92 - 47 - ~9068=8, 9074/4.0=8...(12) HA GLU 17 + HG3 MET 74 OK 39 99 - 39 - 2.9/3365=5, 2.9/3364=4...(14) HA GLU 16 + HG3 MET 74 OK 30 100 - 30 - 3.6/3365=4, 3.0/3360=3...(13) HB3 SER 59 + HG3 MET 74 OK 19 90 - 21 - 1.8/10862=5, ~9612=4...(5) HA LYS 20 - HG3 MET 74 lone 7 99 - 7 - 3.7/12123=1 Peak 10865 from cnoeabs.peaks (2.17, 4.40, 55.19 ppm; 4.17 A): 6 out of 8 assignments used, quality = 0.89: HB2 GLN 72 + HA MET 74 OK 47 100 - 48 - 3.0/3330=8, ~10848=7...(13) HG2 GLU 75 + HA MET 74 OK 34 98 - 35 - 4.0/9624=8, 7243/3.6=8...(8) HG3 GLU 75 + HA MET 74 OK 33 96 - 35 - 4.0/9624=8, 7243/3.6=8...(8) HB3 GLN 50 + HA MET 74 OK 26 96 - 27 - 2290=5, 1.8/2282=4...(12) HB3 GLU 95 + HA MET 74 OK 20 96 - 21 - 2.9/3330=4, ~10857=3...(7) HB3 GLU 16 + HA MET 74 OK 18 100 - 18 - 1.8/3328=2, 710/3.6=2...(8) HB3 GLU 23 - HA MET 74 lone 4 84 - 5 - 4.0/6360=1, 4.6/6373=1 HG2 GLU 104 - HA MET 74 lone 1 61 - 1 - Peak 10868 from cnoeabs.peaks (0.89, 2.00, 17.28 ppm; 4.40 A): 5 out of 5 assignments used, quality = 0.88: QG2 ILE 76 + QE MET 74 OK 61 96 - 64 - 3.2/9606=29, 3.2/9604=13...(13) QD1 LEU 2 + QE MET 74 OK 46 94 - 49 - 3.1/9603=16, 5.0/9588=8...(11) HG13 ILE 7 + QE MET 74 OK 20 100 - 20 - 3.2/9604=3, 1.8/9602=3...(6) HG13 ILE 8 + QE MET 74 OK 19 99 - 19 - 1.8/12193=3, 3.1/9604=3...(6) QG1 VAL 32 + QE MET 74 OK 14 73 - 19 - 3.2/3367=3, ~10161=3...(7) Peak 10869 from cnoeabs.peaks (2.89, 2.00, 17.28 ppm; 4.17 A): 3 out of 5 assignments used, quality = 0.69: HE3 LYS 39 + QE MET 74 OK 45 94 - 48 - 6.3/9609=13, 3.5/9602=12...(7) HE2 LYS 39 + QE MET 74 OK 36 77 - 47 - 6.3/9609=13, 3.5/9602=12...(7) HB2 ASN 60 + QE MET 74 OK 12 98 - 12 - 3.5/9429=6, 4.0/3366=2 HE2 LYS 66 - QE MET 74 lone 3 94 - 4 - HE3 LYS 66 - QE MET 74 lone 2 77 - 3 - Peak 10870 from cnoeabs.peaks (3.73, 2.00, 17.28 ppm; 4.63 A): 0 out of 2 assignments used, low quality = 0.30: HA GLU 37 - QE MET 74 OK 21 65 - 33 - 3.0/3366=10, ~3350=4...(10) HA3 GLY 100 - QE MET 74 OK 11 90 - 13 - 1.8/9610=4, 10106=2, ~9611=1 Peak 10871 from cnoeabs.peaks (1.41, 4.40, 55.19 ppm; 5.28 A): 1 out of 2 assignments used, quality = 0.72: QB ALA 71 + HA MET 74 OK 72 100 - 72 - 10830/3.0=15, ~10828=14...(13) HG12 ILE 7 - HA MET 74 poor 10 81 - 12 - 9590/3.0=3, 9594/3.0=2...(5) Peak 10875 from cnoeabs.peaks (3.87, 1.44, 26.75 ppm; 3.98 A): 6 out of 24 assignments used, quality = 0.72: HA ARG 91 + HG13 ILE 76 OK 30 81 - 38 - 4.0/3445=7, ~4029=6...(14) HB3 SER 49 + HG13 ILE 76 OK 27 70 - 39 - ~9065=9, ~9638=6...(10) HA LYS 40 + HG13 ILE 76 OK 17 94 - 18 - 9668/2.1=3, 2.9/6623=2...(6) HA GLU 43 + HG13 ILE 76 OK 14 94 - 15 - ~10608=3, 10609/2.1=2...(6) HA LYS 40 + HG LEU 29 OK 14 75 - 18 - 1772/3.0=4, 3.8/1289=2...(7) HA LYS 94 + HG13 ILE 76 OK 10 96 - 11 - ~10887=2, 9668/2.1=2, 4176/3.0=1 HA LEU 38 - HG13 ILE 76 lone 9 100 - 9 - 3.6/6607=2 HA LYS 12 - HG LEU 29 poor 9 45 - 21 - ~8671=2, ~8670=2...(12) HA LYS 12 - HG13 ILE 76 poor 8 61 - 12 - 3.6/6176=2, 9668/2.1=2 HA GLU 35 - HG13 ILE 76 lone 7 84 - 9 - 10609/2.1=1, 4016/1.8=1 HA2 GLY 101 - HG13 ILE 76 lone 6 96 - 6 - ~9630=2, 9668/2.1=1 HA3 GLY 101 - HG13 ILE 76 lone 4 61 - 6 - ~9630=2, ~9668=1 HA2 GLY 100 - HG13 ILE 76 lone 4 96 - 4 - HA LYS 94 - HG LEU 29 lone 3 77 - 4 - HA LEU 38 - HG LEU 29 lone 3 85 - 3 - HB2 SER 102 - HG LEU 29 lone 3 42 - 6 - ~8688=2, ~8685=1 HA ARG 91 - HG LEU 29 lone 2 62 - 3 - HA GLU 43 - HG LEU 29 lone 1 75 - 2 - HA GLU 35 - HG LEU 29 lone 1 65 - 2 - HA2 GLY 100 - HG LEU 29 lone 1 77 - 1 - HA2 GLY 101 - HG LEU 29 lone 1 77 - 1 - HB3 SER 49 - HG LEU 29 lone 1 52 - 2 - HB2 SER 102 - HG13 ILE 76 lone 1 57 - 1 - HA3 GLY 101 - HG LEU 29 lone 0 45 - 1 - Peak 10876 from cnoeabs.peaks (1.97, 1.44, 26.75 ppm; 4.24 A): 3 out of 20 assignments used, quality = 0.97: HB3 ARG 46 + HG13 ILE 76 OK 71 98 - 73 - ~10176=12, ~9639=10...(22) HB2 ARG 46 + HG13 ILE 76 OK 68 94 - 73 - ~10176=12, ~9639=10...(22) HB3 MET 74 + HG13 ILE 76 OK 62 100 - 62 - ~9595=14, ~9664=10...(13) HB2 GLU 37 - HG13 ILE 76 OK 23 87 - 27 - 8837/2.1=7, ~8844=4...(9) HB2 LYS 73 - HG13 ILE 76 OK 21 96 - 22 - 4.6/9590=4, 9665/1.8=3...(9) HB3 LYS 73 - HG13 ILE 76 OK 21 94 - 22 - 4.6/9590=4, 9665/1.8=3...(9) HB2 LYS 24 - HG13 ILE 76 OK 20 100 - 20 - 10352/2.1=3, ~10352=2...(8) HB3 LYS 24 - HG13 ILE 76 OK 20 100 - 20 - 10352/2.1=3, ~10352=2...(8) HB2 LYS 47 - HG13 ILE 76 OK 13 100 - 13 - 10352/2.1=5, ~9654=1...(4) QE MET 1 - HG13 ILE 76 lone 7 90 - 8 - 8028/2.1=3 HB2 GLU 37 - HG LEU 29 lone 4 67 - 6 - ~8848=1, ~8838=1 HB3 MET 74 - HG LEU 29 lone 4 84 - 5 - HB3 LYS 24 - HG LEU 29 lone 4 84 - 4 - HB2 LYS 24 - HG LEU 29 lone 4 84 - 4 - HB3 ARG 46 - HG LEU 29 lone 3 80 - 4 - HB2 LYS 73 - HG LEU 29 lone 3 77 - 4 - HB3 LYS 73 - HG LEU 29 lone 3 75 - 4 - HB2 ARG 46 - HG LEU 29 lone 3 75 - 4 - HB2 LYS 47 - HG LEU 29 lone 2 84 - 2 - QE MET 1 - HG LEU 29 lone 1 70 - 2 - Peak 10877 from cnoeabs.peaks (0.69, 0.88, 17.57 ppm; 3.21 A): 7 out of 8 assignments used, quality = 0.86: QD1 LEU 42 + QG2 ILE 76 OK 43 98 - 44 - 3.1/10883=7, 9667/3.2=7...(16) QD1 ILE 8 + QG2 ILE 76 OK 35 77 - 45 - 2.1/310=6, 9646/2.1=5...(19) QD1 ILE 52 + QG2 ILE 76 OK 26 100 - 26 - 10640=5, 9646/2.1=2...(8) QD2 LEU 14 + QG2 ILE 76 OK 20 81 - 25 - 9646/2.1=4, 626/4.0=3...(8) QD2 LEU 6 + QG2 ILE 76 OK 17 96 - 18 - 9646/2.1=3, 9667/3.2=2...(4) QD1 LEU 14 + QG2 ILE 76 OK 15 70 - 22 - 9667/3.2=4, 4.8/3425=3...(7) QD1 ILE 56 + QG2 ILE 76 OK 10 84 - 12 - 9646/2.1=2, 326=1 QG2 VAL 58 - QG2 ILE 76 lone 5 61 - 7 - 4.2/9629=3 Peak 10878 from cnoeabs.peaks (3.69, 0.80, 13.65 ppm; 4.47 A): 3 out of 4 assignments used, quality = 0.79: HA LEU 42 + QD1 ILE 76 OK 59 92 - 65 - 3.0/10286=12...(16) HA LEU 14 + QD1 ILE 76 OK 36 87 - 41 - 3.0/3449=8, 583/4.7=5...(12) HA GLU 37 + QD1 ILE 76 OK 21 81 - 26 - 3.0/8837=7, 3.0/8840=4...(6) HB THR 80 - QD1 ILE 76 lone 6 77 - 8 - Peak 10879 from cnoeabs.peaks (2.63, 0.80, 13.65 ppm; 5.38 A): 3 out of 4 assignments used, quality = 0.95: HG3 MET 74 + QD1 ILE 76 OK 84 100 - 84 - ~9606=27, 1.8/10880=21...(17) HB3 ASP 77 + QD1 ILE 76 OK 62 92 - 67 - 3.9/3456=18, ~9676=11...(11) HB3 TYR 41 + QD1 ILE 76 OK 12 84 - 15 - 4.0/8869=3, 1.8/8873=2...(4) HB3 ASP 65 - QD1 ILE 76 lone 7 73 - 9 - 7270/3456=2, 10770/4.2=2 Peak 10880 from cnoeabs.peaks (2.52, 0.80, 13.65 ppm; 5.56 A): 4 out of 7 assignments used, quality = 0.94: HG2 MET 74 + QD1 ILE 76 OK 88 100 - 88 - ~9606=28, 1.8/10879=22...(16) HG3 GLU 63 + QD1 ILE 76 OK 31 94 - 33 - 3.8/10745=8, 3.0/10746=8...(7) HG3 GLN 72 + QD1 ILE 76 OK 15 84 - 18 - 12298/12176=4...(6) HG3 GLU 95 + QD1 ILE 76 OK 10 100 - 10 - HB3 ASP 36 - QD1 ILE 76 lone 6 65 - 10 - 3.6/10538=2, ~8802=1, 8796/4.7=1 HB2 ASP 36 - QD1 ILE 76 lone 6 61 - 10 - 3.6/10538=2, ~8802=1, 8796/4.7=1 HB2 ASP 61 - QD1 ILE 76 lone 3 77 - 4 - Peak 10881 from cnoeabs.peaks (3.19, 0.80, 13.65 ppm; 4.82 A): 3 out of 6 assignments used, quality = 0.96: HD3 ARG 46 + QD1 ILE 76 OK 88 99 - 89 - 1.8/10882=37, 9020=17...(18) HD2 ARG 19 + QD1 ILE 76 OK 41 84 - 49 - 3.0/8519=8, 2.9/11048=7...(15) HD3 ARG 19 + QD1 ILE 76 OK 41 84 - 49 - 3.0/8519=8, 2.9/11048=7...(15) HB3 TRP 92 - QD1 ILE 76 OK 35 98 - 36 - 9991=8, 1.8/9985=7...(12) HB2 ASP 77 - QD1 ILE 76 OK 34 61 - 55 - 3.9/3456=15...(9) HB2 HIS 106 - QD1 ILE 76 lone 6 99 - 6 - 2111/10882=1 Peak 10882 from cnoeabs.peaks (3.31, 0.80, 13.65 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.88: HD2 ARG 46 + QD1 ILE 76 OK 88 99 - 89 - 9017=18, 1.8/9020=17...(20) Peak 10883 from cnoeabs.peaks (1.29, 0.88, 17.57 ppm; 4.67 A): 4 out of 4 assignments used, quality = 0.81: HB3 LEU 42 + QG2 ILE 76 OK 62 87 - 71 - 10884/2.1=15...(15) HG2 LYS 90 + QG2 ILE 76 OK 31 99 - 31 - 4.9/9627=10, 10285/3.2=5...(7) HG2 ARG 30 + QG2 ILE 76 OK 19 100 - 19 - 10884/2.1=4, 10285/3.2=3...(5) HG LEU 3 + QG2 ILE 76 OK 14 96 - 14 - 5.0/6023=3, 10884/2.1=2...(4) Peak 10884 from cnoeabs.peaks (1.30, 1.64, 40.34 ppm; 5.43 A): 4 out of 4 assignments used, quality = 0.87: HB3 LEU 42 + HB ILE 76 OK 77 100 - 77 - 10883/2.1=20...(16) HG2 LYS 90 + HB ILE 76 OK 23 84 - 28 - 10883/2.1=10...(6) HG2 ARG 30 + HB ILE 76 OK 19 98 - 19 - 10883/2.1=6, 10285/3.0=3...(5) HG LEU 3 + HB ILE 76 OK 11 100 - 11 - 10883/2.1=4, 10285/3.0=1, 8118=1 Peak 10885 from cnoeabs.peaks (5.17, 0.80, 13.65 ppm; 6.20 A): 0 out of 1 assignment used, low quality = 0.44: HA VAL 54 - QD1 ILE 76 OK 44 96 - 46 - ~11070=11, 3.0/10888=11...(9) Peak 10886 from cnoeabs.peaks (6.99, 1.09, 26.75 ppm; 5.95 A): 2 out of 3 assignments used, quality = 0.72: HE ARG 91 + HG12 ILE 76 OK 54 99 - 55 - 10989=12, 2.9/4075=11...(10) HD21 ASN 51 + HG12 ILE 76 OK 39 77 - 51 - ~10634=13, ~9126=9...(9) HD21 ASN 10 - HG12 ILE 76 lone 3 94 - 3 - Peak 10887 from cnoeabs.peaks (8.27, 0.80, 13.65 ppm; 5.21 A): 4 out of 5 assignments used, quality = 0.90: H ALA 71 + QD1 ILE 76 OK 62 94 - 66 - ~10837=23, ~9648=12...(14) H PHE 45 + QD1 ILE 76 OK 53 94 - 56 - 4.6/9630=16, 5.5/9642=13...(7) H LYS 94 + QD1 ILE 76 OK 28 99 - 28 - 3.0/9668=4, 4.9/10286=2...(9) H GLU 23 + QD1 ILE 76 OK 22 97 - 23 - 6369/4.7=4, 6363/2.1=3...(6) H LEU 103 - QD1 ILE 76 lone 3 65 - 4 - 10805/9535=1 Peak 10888 from cnoeabs.peaks (8.50, 0.80, 13.65 ppm; 5.73 A): 4 out of 4 assignments used, quality = 0.86: H LEU 2 + QD1 ILE 76 OK 57 98 - 58 - 4.0/10286=17...(12) H VAL 54 + QD1 ILE 76 OK 40 84 - 48 - 3.0/10885=32...(7) H ARG 79 + QD1 ILE 76 OK 29 99 - 29 - 9628/3.2=13, 7290/3.2=5...(5) H THR 31 + QD1 ILE 76 OK 25 97 - 26 - 8736=4, 9628/3.2=4...(7) Peak 10890 from cnoeabs.peaks (8.78, 3.21, 40.23 ppm; 5.04 A): 0 out of 2 assignments used, low quality = 0.26: H ILE 8 - HB2 ASP 77 OK 16 61 - 25 - 10771/1.8=19, 4.7/9679=3 H SER 59 - HB2 ASP 77 OK 12 61 - 20 - 10771/1.8=16, 4.2/10895=2 Peak 10892 from cnoeabs.peaks (1.84, 3.21, 40.23 ppm; 5.38 A): 3 out of 5 assignments used, quality = 0.80: HB2 LYS 53 + HB2 ASP 77 OK 74 100 - 74 - 4.4/9242=24, ~9678=23...(10) HB2 LYS 68 + HB2 ASP 77 OK 14 100 - 14 - 3.5/10893=2, 3.5/10893=2...(5) HG2 ARG 46 + HB2 ASP 77 OK 12 73 - 16 - ~3459=2, 1.8/2102=2...(6) HB3 LYS 90 - HB2 ASP 77 lone 7 97 - 7 - 6887/9242=2 HB3 LEU 57 - HB2 ASP 77 lone 5 70 - 7 - 9337/10890=2, 9337/10890=1 Peak 10893 from cnoeabs.peaks (1.66, 3.21, 40.23 ppm; 5.40 A): 6 out of 15 assignments used, quality = 0.75: HB ILE 76 + HB2 ASP 77 OK 51 65 - 79 - 4.4/3462=34, 3.0/9672=15...(12) HB ILE 52 + HB2 ASP 77 OK 16 96 - 16 - 4.5/9679=10 HB3 LEU 6 + HB2 ASP 77 OK 12 81 - 15 - 4.3/9679=3, ~8229=3...(6) HD2 LYS 39 + HB2 ASP 77 OK 12 96 - 13 - 3.0/9674=3, 10899/4.4=2...(5) HD2 LYS 68 + HB2 ASP 77 OK 12 92 - 13 - 3.5/10892=4, 10899/4.4=2 HD3 LYS 68 + HB2 ASP 77 OK 12 90 - 13 - 3.5/10892=4, 10899/4.4=2...(4) HG3 LYS 20 - HB2 ASP 77 lone 9 87 - 10 - 1.8/12122=3, ~12123=2 HB3 ARG 79 - HB2 ASP 77 lone 7 96 - 8 - 10899/4.4=3, 3514/9242=1 HD3 LYS 20 - HB2 ASP 77 lone 7 87 - 8 - 2.8/12122=3, ~12123=1 HD2 LYS 20 - HB2 ASP 77 lone 6 77 - 8 - 2.8/12122=3, ~12123=1 HD3 LYS 73 - HB2 ASP 77 lone 5 100 - 5 - 3303/4.4=3 HD2 LYS 73 - HB2 ASP 77 lone 5 99 - 5 - 3303/4.4=3 HB2 LYS 40 - HB2 ASP 77 lone 3 73 - 5 - HD2 LYS 47 - HB2 ASP 77 lone 2 65 - 2 - HD3 LYS 47 - HB2 ASP 77 lone 1 61 - 2 - Peak 10894 from cnoeabs.peaks (0.86, 3.21, 40.23 ppm; 5.58 A): 2 out of 3 assignments used, quality = 0.51: QD2 LEU 64 + HB2 ASP 77 OK 30 100 - 31 - 9496/1.8=7, 2.1/10895=5...(9) QD1 LEU 38 + HB2 ASP 77 OK 30 100 - 30 - 10548/1.8=11, 3.1/9674=5...(7) QD1 LEU 103 - HB2 ASP 77 lone 8 99 - 8 - 9496/1.8=2 Peak 10895 from cnoeabs.peaks (0.73, 3.21, 40.23 ppm; 5.90 A): 3 out of 10 assignments used, quality = 0.93: QG2 VAL 78 + HB2 ASP 77 OK 71 92 - 78 - 4.0/7275=36...(8) QG1 VAL 78 + HB2 ASP 77 OK 63 81 - 79 - 4.0/7275=36, ~10902=31...(8) QD1 LEU 64 + HB2 ASP 77 OK 37 92 - 41 - 2.1/10894=19, ~9496=6...(8) QG1 VAL 5 - HB2 ASP 77 OK 21 99 - 21 - 8181/3.0=11, 7279/4.4=5...(4) QG1 VAL 58 - HB2 ASP 77 OK 20 90 - 22 - 4.2/10890=16, 7279/4.4=2...(4) QD2 LEU 27 - HB2 ASP 77 lone 8 100 - 8 - 7279/4.4=1 HG3 ARG 81 - HB2 ASP 77 lone 6 96 - 6 - 7280/4.4=1 HG13 ILE 56 - HB2 ASP 77 lone 6 70 - 8 - 7279/4.4=4 HG13 ILE 93 - HB2 ASP 77 lone 6 87 - 6 - QG2 ILE 93 - HB2 ASP 77 lone 4 61 - 7 - Peak 10900 from cnoeabs.peaks (4.69, 0.74, 21.24 ppm; 4.37 A): 2 out of 2 assignments used, quality = 0.74: HA LYS 82 + QG1 VAL 78 OK 50 97 - 52 - 10901/2.1=28, 3640/2.1=5...(12) HA ARG 79 + QG1 VAL 78 OK 47 65 - 72 - 3.0/3495=22, ~7284=17...(15) Peak 10901 from cnoeabs.peaks (4.69, 0.72, 21.10 ppm; 4.46 A): 0 out of 2 assignments used, low quality = 0.39: HA LYS 82 - QG2 VAL 78 OK 39 90 - 43 - 10900/2.1=19, 3640/2.1=5...(11) HA LYS 82 - QG1 VAL 5 poor 9 53 - 17 - ~7325=6, 8217/4.1=3...(6) Peak 10902 from cnoeabs.peaks (4.56, 0.72, 21.10 ppm; 4.52 A): 1 out of 2 assignments used, quality = 0.54: HA ASP 77 + QG2 VAL 78 OK 54 87 - 62 - 7274/4.0=32...(7) HA ASP 77 - QG1 VAL 5 poor 6 51 - 11 - 3.6/7279=5, 3.0/10895=2 Peak 10903 from cnoeabs.peaks (4.55, 0.74, 21.24 ppm; 4.58 A): 2 out of 2 assignments used, quality = 0.59: HA ASP 77 + QG1 VAL 78 OK 47 70 - 68 - 10902/2.1=33...(8) HA LYS 33 + QG1 VAL 78 OK 23 65 - 35 - 9682/2.1=32, ~178=2 Peak 10904 from cnoeabs.peaks (3.81, 0.74, 21.24 ppm; 4.19 A): 4 out of 5 assignments used, quality = 0.73: HA LYS 68 + QG1 VAL 78 OK 42 94 - 46 - 3.0/10351=10...(13) HA SER 97 + QG1 VAL 78 OK 28 100 - 28 - 10905/2.1=7, 9687/2.1=5...(9) HA ARG 19 + QG1 VAL 78 OK 23 99 - 23 - 10905/2.1=5, 9687/2.1=4...(6) HA ALA 22 + QG1 VAL 78 OK 14 87 - 16 - 10905/2.1=4, 2.1/10290=4...(4) HB3 SER 102 - QG1 VAL 78 lone 5 99 - 5 - 11090/2.1=2 Peak 10905 from cnoeabs.peaks (3.82, 0.72, 21.10 ppm; 3.97 A): 6 out of 10 assignments used, quality = 0.72: HA LYS 68 + QG2 VAL 78 OK 32 84 - 39 - 10904/2.1=12, 9687/2.1=5...(12) HA SER 97 + QG2 VAL 78 OK 25 100 - 25 - 10904/2.1=8, 9687/2.1=4...(8) HA ARG 19 + QG2 VAL 78 OK 19 94 - 20 - 10904/2.1=7, 9687/2.1=4...(6) HA ALA 22 + QG2 VAL 78 OK 14 96 - 14 - 10904/2.1=4, 9687/2.1=3...(4) HA ALA 22 + QG1 VAL 5 OK 13 59 - 22 - 8576/2.1=7, ~8582=3...(5) HA LYS 68 + QG1 VAL 5 OK 10 48 - 21 - 10368/2.1=4, 2.9/9531=3...(7) HA SER 97 - QG1 VAL 5 poor 9 65 - 14 - 10068=3, 10368/2.1=2...(5) HA ARG 19 - QG1 VAL 5 poor 8 57 - 13 - 10368/2.1=3, 777/4.0=2...(4) HB3 SER 102 - QG2 VAL 78 lone 5 96 - 5 - 10904/2.1=1, 11090=1 HB3 SER 102 - QG1 VAL 5 lone 2 59 - 4 - 11090=1 Peak 10906 from cnoeabs.peaks (0.86, 0.74, 21.24 ppm; 2.91 A): 0 out of 4 assignments used, low quality = 0.36: QD2 LEU 64 - QG1 VAL 78 OK 36 100 - 36 - 2840=10, 2.1/2832=6...(13) QD1 LEU 103 - QG1 VAL 78 lone 5 100 - 5 - QD1 LEU 38 - QG1 VAL 78 lone 5 100 - 5 - QD1 LEU 2 - QG1 VAL 78 lone 2 61 - 4 - Peak 10907 from cnoeabs.peaks (0.95, 0.72, 21.10 ppm; 2.90 A): 3 out of 6 assignments used, quality = 0.78: QG2 VAL 5 + QG1 VAL 5 OK 59 59 - 100 - 2.1=100 HG LEU 55 + QG1 VAL 5 OK 32 55 - 58 - ~8197=9, 2.1/8195=8...(19) QG2 VAL 5 + QG2 VAL 78 OK 24 96 - 25 - 182=4, 2.1/10350=3...(11) HG LEU 55 - QG2 VAL 78 lone 6 92 - 7 - 2.1/9270=2 QG2 VAL 83 - QG1 VAL 5 lone 5 57 - 10 - 6055/4.0=1 QG2 VAL 83 - QG2 VAL 78 lone 3 94 - 3 - Peak 10908 from cnoeabs.peaks (0.72, 1.65, 31.20 ppm; 5.34 A): 4 out of 8 assignments used, quality = 0.94: QG2 VAL 78 + HB3 ARG 79 OK 58 99 - 58 - 3489/4.1=18, ~10900=14...(13) HG13 ILE 56 + HB3 ARG 79 OK 50 100 - 51 - ~9305=8, 3.2/10672=8...(16) QD2 LEU 27 + HB3 ARG 79 OK 47 87 - 54 - 4.0/12328=21...(12) QD1 ILE 56 + HB3 ARG 79 OK 42 92 - 46 - ~9305=9, 3.0/10672=8...(15) QG1 VAL 5 - HB3 ARG 79 OK 22 94 - 24 - 7286/4.1=4, 4.1/6065=4...(8) QG1 VAL 58 - HB3 ARG 79 OK 17 100 - 17 - ~10228=7, 7286/4.1=3...(4) QD2 LEU 14 - HB3 ARG 79 OK 13 94 - 13 - 7286/4.1=1 QD1 ILE 8 - HB3 ARG 79 lone 7 96 - 7 - 7286/4.1=1, 8313/10672=1 Peak 10909 from cnoeabs.peaks (0.73, 1.60, 31.20 ppm; 5.49 A): 4 out of 12 assignments used, quality = 0.97: QD2 LEU 27 + HB2 ARG 79 OK 65 100 - 66 - 4.0/12329=23...(17) QG2 VAL 78 + HB2 ARG 79 OK 58 99 - 59 - 3489/4.1=19, ~10900=15...(10) HG3 ARG 81 + HB2 ARG 79 OK 53 84 - 63 - 1.8/9693=50, ~9695=8...(7) HG13 ILE 56 + HB2 ARG 79 OK 51 87 - 59 - 4.9/9698=16, ~9305=9...(17) QD1 ILE 56 - HB2 ARG 79 OK 34 61 - 56 - 5.0/9698=16, ~9305=9...(14) QG1 VAL 78 - HB2 ARG 79 OK 33 61 - 54 - 4.3/7289=16, 10900/3.0=9...(12) QG1 VAL 5 - HB2 ARG 79 OK 25 100 - 25 - 7286/4.1=4, 10908/1.8=3...(7) QD1 LEU 64 - HB2 ARG 79 OK 23 77 - 30 - 10754/4.6=10, 9486/3.0=7...(9) QG1 VAL 58 - HB2 ARG 79 OK 18 98 - 18 - ~10228=8, 7286/4.1=3 QD2 LEU 14 - HB2 ARG 79 poor 8 65 - 12 - 10908/1.8=2, 7286/4.1=1 HG13 ILE 93 - HB2 ARG 79 poor 8 70 - 11 - ~10999=3, 1185/12329=1 QD1 ILE 8 - HB2 ARG 79 lone 4 70 - 6 - 7286/4.1=1, 10908/1.8=1 Peak 10910 from cnoeabs.peaks (0.73, 3.07, 43.09 ppm; 4.51 A): 5 out of 20 assignments used, quality = 0.97: QG1 VAL 78 + HD2 ARG 79 OK 54 92 - 59 - 3.2/12197=14...(12) QG1 VAL 78 + HD3 ARG 79 OK 53 90 - 59 - 3.2/12197=14...(12) QG2 VAL 78 + HD2 ARG 79 OK 46 81 - 57 - 3.2/12196=14...(12) HG3 ARG 81 + HD2 ARG 79 OK 46 99 - 46 - 1.8/9696=20, ~9696=14...(8) HG3 ARG 81 + HD3 ARG 79 OK 45 98 - 46 - 1.8/9696=20, ~9696=15...(8) QG2 VAL 78 - HD3 ARG 79 OK 45 79 - 57 - 3.2/12196=14...(12) QD2 LEU 27 - HD2 ARG 79 OK 43 98 - 43 - 4.0/12330=9, 10139=9...(14) QD2 LEU 27 - HD3 ARG 79 OK 42 97 - 43 - 4.0/12330=9, 10139=9...(14) QD1 LEU 64 - HD2 ARG 79 OK 19 98 - 19 - 9486/5.3=5...(6) QD1 LEU 64 - HD3 ARG 79 OK 19 97 - 19 - 9486/5.3=5...(6) QG1 VAL 5 - HD2 ARG 79 OK 14 94 - 15 - 10196/3.0=2, 10196/3.0=2...(6) QG1 VAL 5 - HD3 ARG 79 OK 14 92 - 15 - 10196/3.0=2, 10196/3.0=2...(6) HG13 ILE 93 - HD2 ARG 79 OK 12 96 - 13 - 2.1/10997=3, ~10997=3...(4) HG13 ILE 93 - HD3 ARG 79 OK 12 94 - 13 - 2.1/10997=3, ~10997=3...(4) QG2 ILE 93 - HD2 ARG 79 poor 9 77 - 11 - 3.1/10997=3, ~10997=2...(4) QG2 ILE 93 - HD3 ARG 79 poor 8 75 - 11 - 3.1/10997=3, ~10997=2...(4) QG1 VAL 58 - HD2 ARG 79 lone 5 77 - 7 - 10223/10911=2, 7286/5.8=1 QG1 VAL 58 - HD3 ARG 79 lone 5 75 - 7 - 10223/10911=2, 7286/5.8=1 HG13 ILE 15 - HD2 ARG 79 lone 1 61 - 2 - HG13 ILE 15 - HD3 ARG 79 lone 1 60 - 2 - Peak 10911 from cnoeabs.peaks (0.99, 3.07, 43.09 ppm; 5.61 A): 2 out of 4 assignments used, quality = 0.69: QG2 THR 80 + HD2 ARG 79 OK 45 90 - 51 - 9711/5.3=13, 4.0/7304=12...(8) QG2 THR 80 + HD3 ARG 79 OK 44 88 - 50 - 9711/5.3=13, 4.0/7304=12...(8) QG1 VAL 83 - HD2 ARG 79 lone 3 61 - 6 - 9799/5.3=3 QG1 VAL 83 - HD3 ARG 79 lone 3 60 - 6 - 9799/5.3=3 Peak 10912 from cnoeabs.peaks (6.96, 3.07, 43.09 ppm; 4.35 A): 4 out of 6 assignments used, quality = 0.77: HE2 PHE 96 + HD2 ARG 79 OK 31 99 - 31 - 2.5/9700=10, ~9700=7...(10) HE2 PHE 96 + HD3 ARG 79 OK 31 100 - 31 - 2.5/9700=10, ~9700=7...(9) HE1 PHE 96 + HD2 ARG 79 OK 30 99 - 31 - 2.5/9700=10, ~9700=7...(10) HE1 PHE 96 + HD3 ARG 79 OK 30 100 - 30 - 2.5/9700=10, ~9700=7...(9) HD21 ASN 51 - HD3 ARG 79 lone 1 65 - 1 - HD21 ASN 51 - HD2 ARG 79 lone 1 64 - 1 - Peak 10914 from cnoeabs.peaks (9.20, 0.98, 22.13 ppm; 4.25 A): 2 out of 2 assignments used, quality = 0.93: H ILE 56 + QG2 THR 80 OK 83 97 - 86 - 4.0/9734=30, 9299/3.2=22...(22) H THR 84 + QG2 THR 80 OK 58 99 - 59 - 9701/3.2=9, 9702/2.1=9...(20) Peak 10915 from cnoeabs.peaks (8.91, 0.98, 22.13 ppm; 5.04 A): 2 out of 3 assignments used, quality = 0.68: H ARG 19 + QG2 THR 80 OK 58 98 - 59 - 3.6/9727=42...(8) H VAL 5 + QG2 THR 80 OK 24 87 - 28 - 11120/3.2=6, 3.9/9731=3...(9) H ASP 77 - QG2 THR 80 lone 7 70 - 9 - 768/9727=2, 11120/3.2=2 Peak 10916 from cnoeabs.peaks (3.78, 3.68, 69.77 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.51: HA ALA 18 + HB THR 80 OK 51 97 - 52 - 9727/2.1=43, 2.9/6262=10...(5) Peak 10917 from cnoeabs.peaks (0.41, 0.98, 22.13 ppm; 4.13 A): 0 out of 1 assignment used, low quality = 0.45: HG2 ARG 81 - QG2 THR 80 OK 45 81 - 56 - 4.9/3573=21, 9716/4.0=14...(14) Peak 10923 from cnoeabs.peaks (5.33, 0.74, 25.88 ppm; 5.55 A): 2 out of 2 assignments used, quality = 0.95: HA THR 80 + HG3 ARG 81 OK 87 100 - 87 - 3.6/3610=38, ~10917=33...(11) HA ILE 52 + HG3 ARG 81 OK 61 98 - 63 - 9156/1.8=18, 9741/3.9=12...(14) Peak 10924 from cnoeabs.peaks (5.35, 0.43, 25.88 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.92: HA THR 80 + HG2 ARG 81 OK 75 81 - 93 - 3.6/3601=45...(15) HA ILE 52 + HG2 ARG 81 OK 70 96 - 73 - 9156=16, 10923/1.8=13...(18) Peak 10925 from cnoeabs.peaks (7.48, 1.73, 42.21 ppm; 5.18 A): 2 out of 6 assignments used, quality = 0.59: HZ2 TRP 92 + HD2 ARG 81 OK 42 92 - 46 - 14666/5.3=12...(6) H ILE 52 + HD2 ARG 81 OK 28 84 - 34 - ~9156=8, ~10923=8...(6) HD22 ASN 26 - HD2 ARG 81 poor 10 84 - 12 - 4.4/3620=8, 6428/5.3=3 H ARG 91 - HD2 ARG 81 lone 7 90 - 7 - 7437=1, 3.6/3917=1 HE ARG 46 - HD2 ARG 81 lone 4 90 - 4 - ~12215=2 H LYS 47 - HD2 ARG 81 lone 3 94 - 3 - Peak 10927 from cnoeabs.peaks (8.54, 1.06, 25.00 ppm; 5.82 A): 3 out of 3 assignments used, quality = 0.84: H VAL 58 + HG2 LYS 82 OK 77 100 - 78 - 9372/3.9=36, 4.0/9760=21...(11) H ASN 51 + HG2 LYS 82 OK 22 99 - 22 - 9770/5.1=6, 11123/3.9=6...(5) H GLN 50 + HG2 LYS 82 OK 11 94 - 12 - 4.6/10928=2, 2661/9760=2...(4) Peak 10928 from cnoeabs.peaks (7.74, 1.06, 25.00 ppm; 5.74 A): 2 out of 6 assignments used, quality = 0.94: H ASN 60 + HG2 LYS 82 OK 92 98 - 94 - 9418=39, 9417/1.8=37...(15) H LEU 64 + HG2 LYS 82 OK 26 61 - 42 - 10929/1.8=9, 4.5/9761=7...(14) H SER 49 - HG2 LYS 82 OK 13 90 - 14 - 10929/1.8=3, 4.6/10927=3...(5) H VAL 78 - HG2 LYS 82 OK 11 65 - 17 - 4.0/9761=4, ~3474=4...(6) H GLU 37 - HG2 LYS 82 lone 10 99 - 10 - 10929/1.8=2, 10930/2.9=1 H MET 74 - HG2 LYS 82 lone 6 92 - 7 - 9591=2 Peak 10929 from cnoeabs.peaks (7.73, 1.14, 25.00 ppm; 5.46 A): 2 out of 6 assignments used, quality = 0.95: H ASN 60 + HG3 LYS 82 OK 92 100 - 92 - 9418/1.8=35, 9417=34...(16) H LEU 64 + HG3 LYS 82 OK 41 92 - 45 - 10933/2.9=8, 9469/2.9=6...(12) H ALA 25 - HG3 LYS 82 OK 14 70 - 21 - 10933/2.9=4, ~10472=4...(8) H SER 49 - HG3 LYS 82 OK 12 100 - 12 - 10928/1.8=3, 10933/2.9=1...(5) H GLU 37 - HG3 LYS 82 lone 7 81 - 8 - 10928/1.8=2 H MET 74 - HG3 LYS 82 lone 3 61 - 5 - 10928/1.8=1 Peak 10930 from cnoeabs.peaks (7.75, 1.46, 28.90 ppm; 5.73 A): 3 out of 12 assignments used, quality = 0.97: H GLU 37 + HD2 LYS 40 OK 77 90 - 86 - ~1585=15, ~1794=13...(24) H GLU 37 + HD3 LYS 40 OK 73 85 - 86 - ~1585=15, ~1794=13...(24) H ASN 60 + HD2 LYS 82 OK 59 77 - 76 - 9417/2.9=21, 9418/2.9=20...(11) H MET 74 - HD2 LYS 40 OK 15 92 - 16 - 10858/5.2=4, 7221/3.5=2...(4) H GLU 37 - HD2 LYS 82 OK 14 99 - 14 - 10928/2.9=2, 3.0/12310=1...(4) H MET 74 - HD3 LYS 40 OK 14 87 - 16 - 10858/5.2=4, 7221/3.5=2...(4) H VAL 78 - HD2 LYS 82 OK 12 94 - 12 - 7278/3.5=3, 10928/2.9=2...(4) H ASN 60 - HD2 LYS 40 poor 9 65 - 13 - 9418/3696=1, 9417/3697=1...(5) H ASN 60 - HD3 LYS 40 poor 8 61 - 13 - 9418/3696=1, 9417/3697=1...(5) H MET 74 - HD2 LYS 82 lone 8 100 - 8 - 9591/2.9=2 H VAL 78 - HD2 LYS 40 lone 5 82 - 6 - H VAL 78 - HD3 LYS 40 lone 4 77 - 6 - Peak 10931 from cnoeabs.peaks (8.57, 1.57, 28.90 ppm; 5.47 A): 1 out of 2 assignments used, quality = 0.79: H ASP 61 + HD3 LYS 82 OK 79 97 - 82 - 9443=42, 3.6/10938=17...(11) H LYS 12 - HD3 LYS 82 lone 4 96 - 4 - Peak 10932 from cnoeabs.peaks (8.39, 1.57, 28.90 ppm; 6.16 A): 2 out of 2 assignments used, quality = 0.57: H GLU 62 + HD3 LYS 82 OK 39 70 - 56 - 4.5/9443=33, 3.6/9767=15...(6) H GLU 63 + HD3 LYS 82 OK 30 99 - 31 - 4.6/10933=12, 4.0/3706=4...(9) Peak 10933 from cnoeabs.peaks (7.71, 1.57, 28.90 ppm; 5.65 A): 3 out of 4 assignments used, quality = 0.87: H LEU 64 + HD3 LYS 82 OK 58 99 - 58 - 4.5/10942=13...(16) H ASN 60 + HD3 LYS 82 OK 57 70 - 82 - 4.6/9443=28...(15) H ALA 25 + HD3 LYS 82 OK 28 100 - 28 - 3.0/10472=6, 2.9/3705=3...(10) H SER 49 - HD3 LYS 82 poor 10 87 - 11 - 10929/2.9=2, 9392/9768=1 Peak 10934 from cnoeabs.peaks (4.81, 1.06, 25.00 ppm; 4.83 A): 2 out of 3 assignments used, quality = 0.94: HA ASN 60 + HG2 LYS 82 OK 77 100 - 77 - 3.0/9418=24, ~9417=20...(12) HA VAL 83 + HG2 LYS 82 OK 76 84 - 90 - 3.0/3680=31, ~3691=22...(18) HA TRP 92 - HG2 LYS 82 OK 12 94 - 13 - 2.9/7459=3, 10936/1.8=2...(6) Peak 10935 from cnoeabs.peaks (5.06, 1.06, 25.00 ppm; 4.94 A): 2 out of 2 assignments used, quality = 0.83: HA SER 59 + HG2 LYS 82 OK 77 100 - 77 - 10727/1.8=42...(9) HA LYS 53 + HG2 LYS 82 OK 27 70 - 38 - 10937/1.8=10...(15) Peak 10936 from cnoeabs.peaks (4.80, 1.14, 25.00 ppm; 5.02 A): 2 out of 3 assignments used, quality = 0.98: HA VAL 83 + HG3 LYS 82 OK 89 96 - 93 - 3.0/3691=32, ~3680=24...(18) HA ASN 60 + HG3 LYS 82 OK 78 97 - 81 - 3.0/9417=26...(12) HA TRP 92 - HG3 LYS 82 OK 12 81 - 14 - ~7459=4, 10934/1.8=3...(6) Peak 10937 from cnoeabs.peaks (5.06, 1.14, 25.00 ppm; 5.09 A): 2 out of 2 assignments used, quality = 0.86: HA SER 59 + HG3 LYS 82 OK 81 100 - 81 - 10935/1.8=31, 10727=26...(9) HA LYS 53 + HG3 LYS 82 OK 28 70 - 40 - 10935/1.8=11, 5.3/3688=3...(19) Peak 10938 from cnoeabs.peaks (4.79, 1.57, 28.90 ppm; 3.78 A): 2 out of 3 assignments used, quality = 0.76: HA VAL 83 + HD3 LYS 82 OK 60 100 - 60 - 10581/1.8=14...(10) HA ASN 60 + HD3 LYS 82 OK 40 73 - 54 - 3.6/9443=15...(11) HA THR 34 - HD3 LYS 82 lone 1 77 - 1 - Peak 10940 from cnoeabs.peaks (0.85, 1.46, 28.90 ppm; 4.74 A): 5 out of 9 assignments used, quality = 0.96: QD2 LEU 64 + HD2 LYS 82 OK 60 96 - 62 - 9756/3.5=17, 9758/3.5=16...(10) QD1 LEU 38 + HD2 LYS 40 OK 49 88 - 56 - 12070/3.5=8, 1659/5.2=5...(24) QD1 LEU 38 + HD2 LYS 82 OK 47 98 - 48 - 10942/1.8=11, 9756/3.5=9...(15) QD1 LEU 38 + HD3 LYS 40 OK 46 83 - 56 - 12070/3.5=8, 1659/5.2=5...(24) QD1 LEU 103 + HD2 LYS 82 OK 39 92 - 42 - 10942/1.8=8, 9756/3.5=8...(12) QD2 LEU 64 - HD2 LYS 40 OK 16 84 - 18 - 10247/3692=2...(3) QD2 LEU 64 - HD3 LYS 40 OK 14 79 - 18 - 10247/3692=1, 10242/3.5=1 QD1 LEU 103 - HD2 LYS 40 lone 6 80 - 7 - QD1 LEU 103 - HD3 LYS 40 lone 5 75 - 7 - Peak 10941 from cnoeabs.peaks (0.66, 1.46, 28.90 ppm; 5.63 A): 6 out of 12 assignments used, quality = 0.93: QG2 VAL 58 + HD2 LYS 82 OK 47 65 - 72 - 9763/2.9=22, 9760/2.9=18...(12) QG2 VAL 54 + HD2 LYS 82 OK 40 100 - 39 - ~10654=11, 9240/2.9=10...(7) QD1 LEU 29 + HD2 LYS 40 OK 38 90 - 42 - 1305/3.0=7, ~1297=5...(14) QD1 LEU 29 + HD3 LYS 40 OK 35 85 - 42 - 1305/3.0=7, ~1297=5...(14) QD2 LEU 29 + HD2 LYS 40 OK 26 65 - 39 - ~1305=6, ~1289=5...(14) QD2 LEU 29 + HD3 LYS 40 OK 24 61 - 39 - ~1305=6, ~1289=5...(14) QD1 LEU 29 - HD2 LYS 82 OK 19 99 - 19 - 9763/2.9=5, 4.6/3702=4...(4) QD2 LEU 29 - HD2 LYS 82 OK 15 77 - 19 - ~9763=4, 4.6/3702=4...(5) QG2 VAL 54 - HD2 LYS 40 OK 13 91 - 14 - ~10655=2, 10208=1...(5) QG2 VAL 54 - HD3 LYS 40 OK 12 86 - 14 - ~10655=2, 10208/1.8=1...(5) QG2 VAL 58 - HD2 LYS 40 OK 11 55 - 20 - 2.1/9383=2, ~9383=2...(12) QG2 VAL 58 - HD3 LYS 40 OK 10 50 - 20 - 2.1/9383=2, ~9383=2...(12) Peak 10942 from cnoeabs.peaks (0.85, 1.57, 28.90 ppm; 5.04 A): 3 out of 4 assignments used, quality = 0.83: QD2 LEU 64 + HD3 LYS 82 OK 56 84 - 67 - 9756/3.5=18, 9758/3.5=18...(12) QD1 LEU 38 + HD3 LYS 82 OK 43 90 - 48 - 9758/3.5=10, 9756/3.5=9...(17) QD1 LEU 103 + HD3 LYS 82 OK 32 77 - 42 - 9756/3.5=9, 12331/3.0=8...(10) QG2 VAL 32 - HD3 LYS 82 lone 5 65 - 8 - 2.1/8945=3, 9758/3.5=1, ~8944=1 Peak 10943 from cnoeabs.peaks (3.66, 1.01, 23.61 ppm; 5.80 A): 2 out of 3 assignments used, quality = 0.96: HA GLU 88 + QG1 VAL 83 OK 85 100 - 86 - 3.6/9927=22, 3.0/9917=18...(20) HA LYS 90 + QG1 VAL 83 OK 71 97 - 73 - 4.8/9928=38, ~9941=15...(16) HB THR 80 - QG1 VAL 83 OK 25 70 - 37 - 9826/2.1=10, 9702/4.0=7...(9) Peak 10945 from cnoeabs.peaks (3.19, 1.01, 23.61 ppm; 5.93 A): 2 out of 6 assignments used, quality = 0.94: HB3 TRP 92 + QG1 VAL 83 OK 92 100 - 92 - 5.3/10295=36...(14) HD3 ARG 46 + QG1 VAL 83 OK 25 100 - 25 - 5.2/9823=5, 3906/9928=3...(8) HD2 ARG 19 - QG1 VAL 83 poor 8 70 - 11 - 3.6/9814=5, 2.9/9794=1 HD3 ARG 19 - QG1 VAL 83 poor 8 70 - 11 - 3.6/9814=5, 2.9/9794=1 HB2 ASP 77 - QG1 VAL 83 lone 4 77 - 6 - ~9786=1 HB2 HIS 106 - QG1 VAL 83 lone 4 94 - 5 - Peak 10946 from cnoeabs.peaks (3.10, 1.01, 23.61 ppm; 5.79 A): 2 out of 3 assignments used, quality = 0.93: HB2 TRP 92 + QG1 VAL 83 OK 91 100 - 91 - 5.3/10295=35...(13) HB2 PHE 96 + QG1 VAL 83 OK 21 99 - 21 - 5.8/9795=4, 9971/10295=3...(8) HD3 ARG 30 - QG1 VAL 83 poor 6 61 - 10 - 1365/4.0=3, 6.2/3754=3 Peak 10947 from cnoeabs.peaks (1.78, 1.24, 21.00 ppm; 5.09 A): 3 out of 7 assignments used, quality = 0.63: HB3 LYS 82 + QG2 THR 84 OK 49 87 - 57 - 4.8/9841=26, 4.8/9840=24 HG3 ARG 19 + QG2 THR 84 OK 14 73 - 19 - 4.9/8526=7, 1.8/9838=6...(6) HB ILE 56 + QG2 THR 84 OK 14 84 - 17 - 2561/4.0=7, 3.8/3770=5...(4) HB VAL 78 - QG2 THR 84 lone 5 99 - 5 - 10288/10948=2 HB2 LYS 66 - QG2 THR 84 lone 4 92 - 4 - HB3 GLU 63 - QG2 THR 84 lone 3 100 - 3 - HG3 ARG 46 - QG2 THR 84 lone 3 90 - 3 - Peak 10948 from cnoeabs.peaks (0.97, 1.24, 21.00 ppm; 4.43 A): 3 out of 3 assignments used, quality = 0.71: QG2 VAL 83 + QG2 THR 84 OK 55 94 - 59 - 4.0/7365=29, 9786/3.2=15...(8) QG2 THR 80 + QG2 THR 84 OK 26 96 - 28 - 10914/4.0=10...(5) HG LEU 55 + QG2 THR 84 OK 12 96 - 12 - 7361/4.0=7, 9863/4.3=2 Peak 10953 from cnoeabs.peaks (8.07, 2.10, 31.71 ppm; 4.95 A): 3 out of 6 assignments used, quality = 0.57: H ILE 15 + HB3 PRO 86 OK 30 96 - 32 - 4.9/10407=11, 4.6/9856=7...(6) H GLU 75 + HB3 PRO 86 OK 24 92 - 26 - 4.0/3827=6, 4.6/9856=4...(8) H LYS 13 + HB3 PRO 86 OK 19 94 - 20 - 4.6/9856=7, ~10833=2...(5) H GLU 17 - HB3 PRO 86 lone 7 100 - 7 - H SER 102 - HB3 PRO 86 lone 6 97 - 6 - 10962/4.9=2 H LYS 39 - HB3 PRO 86 lone 5 70 - 7 - 4.6/6584=1 Peak 10954 from cnoeabs.peaks (8.13, 5.14, 55.20 ppm; 5.07 A): 3 out of 3 assignments used, quality = 0.91: H ASP 87 + HA SER 85 OK 77 100 - 77 - 9898=27, 9849/3.0=21...(10) H TRP 92 + HA SER 85 OK 42 99 - 43 - 9846/3.0=12, 9849/3.0=10...(9) H GLY 100 + HA SER 85 OK 29 97 - 30 - 7618/3.0=10, 9846/3.0=7...(5) Peak 10955 from cnoeabs.peaks (0.69, 3.90, 64.38 ppm; 4.45 A): 6 out of 8 assignments used, quality = 0.79: QD1 LEU 14 + HB2 SER 85 OK 39 73 - 54 - 9867/3.0=15, 9864/4.0=11...(10) QD2 LEU 14 + HB2 SER 85 OK 38 77 - 49 - ~9876=12, ~9867=10...(10) QD2 LEU 6 + HB2 SER 85 OK 21 97 - 22 - 9867/3.0=6, 9864/4.0=4...(6) QG2 VAL 58 + HB2 SER 85 OK 12 65 - 18 - 9867/3.0=4, 9864/4.0=3...(4) QD1 LEU 42 + HB2 SER 85 OK 11 99 - 11 - 9867/3.0=3, 9864/4.0=3 QD1 ILE 52 + HB2 SER 85 OK 11 100 - 11 - 9867/3.0=3, 9864/4.0=2 QD1 ILE 8 - HB2 SER 85 lone 6 73 - 8 - ~8303=2, ~8299=2, ~8305=2 QD1 ILE 56 - HB2 SER 85 lone 6 81 - 7 - 9864/4.0=1 Peak 10956 from cnoeabs.peaks (1.70, 5.14, 55.20 ppm; 4.98 A): 5 out of 18 assignments used, quality = 0.92: HG2 PRO 86 + HA SER 85 OK 74 98 - 75 - 2.3/3790=24, 2.3/3790=24...(12) HD3 LYS 90 + HA SER 85 OK 34 100 - 35 - 10315/3.0=18, ~9954=5...(8) HB3 ARG 91 + HA SER 85 OK 24 73 - 33 - 4.3/10954=7, ~9872=3...(16) HD3 LYS 24 + HA SER 85 OK 20 100 - 20 - ~9954=3, 6.3/8600=3...(9) HD2 LYS 24 + HA SER 85 OK 20 100 - 20 - ~9954=3, 6.3/8600=3...(9) HB3 LYS 53 - HA SER 85 OK 18 84 - 20 - ~9861=5, 1.8/9202=4...(5) HD3 LYS 66 - HA SER 85 OK 17 100 - 17 - 2942/4.8=7, ~9509=2...(5) HD2 LYS 12 - HA SER 85 OK 16 100 - 16 - 10315/3.0=5, ~10315=4...(4) HD3 LYS 12 - HA SER 85 OK 16 100 - 16 - 10315/3.0=5, ~10315=4...(4) HD2 LYS 13 - HA SER 85 OK 14 100 - 14 - 3.6/9866=4, 3.6/9866=3 HD3 LYS 13 - HA SER 85 OK 14 99 - 14 - 3.6/9866=4, 3.6/9866=3 HB2 LEU 2 - HA SER 85 OK 13 100 - 13 - 4.6/6024=2, 3810/4.8=1...(5) HG LEU 70 - HA SER 85 OK 13 100 - 13 - 3831/4.8=2, 3837/3.8=2...(5) HG12 ILE 15 - HA SER 85 lone 10 99 - 10 - 10315/3.0=4 HD3 LYS 47 - HA SER 85 poor 7 70 - 10 - 3.9/9866=3 HD2 LYS 47 - HA SER 85 lone 6 65 - 10 - 3.9/9866=3 HB3 LEU 70 - HA SER 85 lone 4 70 - 6 - 9544/9867=2 HB3 LYS 40 - HA SER 85 lone 3 77 - 4 - Peak 10957 from cnoeabs.peaks (1.48, 2.12, 31.71 ppm; 5.18 A): 5 out of 13 assignments used, quality = 0.99: HG2 LYS 66 + HB2 PRO 86 OK 68 94 - 72 - 3.7/3815=8, ~12288=8...(32) HG3 LYS 66 + HB2 PRO 86 OK 64 90 - 72 - 3.7/3815=8, ~12288=8...(32) HB3 LEU 64 + HB2 PRO 86 OK 52 96 - 55 - 2820/1.8=5, 3.0/2828=5...(25) HG LEU 64 + HB2 PRO 86 OK 51 100 - 52 - 2828/1.8=5, 2.1/2844=5...(19) HB2 ARG 91 + HB2 PRO 86 OK 50 99 - 51 - 4033/3.9=11, 4.3/3822=9...(18) HG2 LYS 47 - HB2 PRO 86 OK 17 94 - 18 - ~9894=2, 3.8/12335=2...(5) HG3 LYS 13 - HB2 PRO 86 OK 16 77 - 21 - 3.8/12335=3, 3.8/12335=3...(8) HG3 LYS 53 - HB2 PRO 86 OK 16 81 - 20 - 3.0/10958=6, 9888/2.3=2...(4) HG2 LYS 53 - HB2 PRO 86 OK 11 61 - 19 - 3.0/10958=6, ~9888=2...(4) HD3 LYS 40 - HB2 PRO 86 lone 6 70 - 9 - 9888/2.3=1, ~9888=1 HD2 LYS 40 - HB2 PRO 86 lone 6 65 - 9 - 9888/2.3=1, ~9888=1 HG2 LYS 73 - HB2 PRO 86 lone 5 92 - 5 - HG LEU 57 - HB2 PRO 86 lone 5 61 - 8 - ~10215=2, ~9362=2 Peak 10958 from cnoeabs.peaks (1.55, 2.12, 31.71 ppm; 5.44 A): 0 out of 7 assignments used, low quality = 0.40: HB2 LEU 3 - HB2 PRO 86 OK 32 100 - 32 - ~9891=7, ~9858=6...(10) HD3 LYS 53 - HB2 PRO 86 OK 12 100 - 12 - ~9888=2, 3.0/10957=2...(5) HG2 LYS 33 - HB2 PRO 86 lone 8 100 - 8 - ~1096=1, ~9895=1 HD3 LYS 82 - HB2 PRO 86 lone 7 77 - 9 - 3.5/12220=2, 9768/9883=1 HG3 ARG 79 - HB2 PRO 86 lone 2 73 - 3 - HG2 ARG 79 - HB2 PRO 86 lone 2 70 - 3 - HB3 GLU 28 - HB2 PRO 86 lone 2 87 - 2 - Peak 10959 from cnoeabs.peaks (1.50, 1.70, 27.00 ppm; 3.39 A): 9 out of 24 assignments used, quality = 0.91: HG3 LYS 66 + HG LEU 70 OK 45 100 - 46 - 10778/4.9=5, 9517/2.1=4...(23) HG2 LYS 66 + HG LEU 70 OK 45 99 - 45 - 10778/4.9=5, 9517/2.1=4...(23) HG3 LYS 66 + HG2 PRO 86 OK 20 60 - 33 - ~12288=3, ~12289=3...(22) HG2 LYS 66 + HG2 PRO 86 OK 19 58 - 33 - ~12288=3, ~12289=3...(22) HG LEU 57 + HG LEU 70 OK 19 99 - 19 - 2631/2.1=3, 2630/2.1=2...(9) HG LEU 2 + HG LEU 70 OK 17 61 - 28 - 2.1/86=3, 2.1/78=3...(12) HG3 LYS 13 + HG LEU 70 OK 11 100 - 11 - ~10394=1, 10395/2.1=1 HB3 LEU 64 + HG2 PRO 86 OK 11 57 - 20 - 2820/2.3=3, 2820/2.3=3...(8) HG2 LYS 73 + HG LEU 70 OK 10 99 - 10 - 10813/3.7=4, 10395/2.1=1 HB2 ARG 91 - HG2 PRO 86 poor 8 50 - 16 - ~9962=2, ~3826=1...(7) HB3 LEU 64 - HG LEU 70 lone 5 98 - 5 - HG LEU 64 - HG2 PRO 86 poor 5 37 - 14 - 2828/2.3=2, 2828/2.3=2...(7) HG LEU 2 - HG2 PRO 86 poor 5 30 - 17 - ~8054=2, ~9882=2...(8) HG3 LYS 24 - HG2 PRO 86 poor 5 46 - 10 - 1096/3.8=2, 3.7/1055=2 HG2 LYS 47 - HG LEU 70 lone 4 99 - 4 - HG3 LYS 13 - HG2 PRO 86 lone 4 60 - 6 - HG3 LYS 33 - HG LEU 70 lone 4 96 - 4 - HB2 ARG 91 - HG LEU 70 lone 3 92 - 4 - HG3 LYS 24 - HG LEU 70 lone 3 87 - 3 - HG LEU 64 - HG LEU 70 lone 3 73 - 3 - HG2 LYS 47 - HG2 PRO 86 lone 2 58 - 4 - HG LEU 57 - HG2 PRO 86 lone 2 58 - 3 - HG3 LYS 33 - HG2 PRO 86 lone 2 54 - 3 - ~10958=1 HG2 LYS 73 - HG2 PRO 86 lone 1 59 - 2 - Peak 10962 from cnoeabs.peaks (8.05, 4.22, 57.31 ppm; 3.94 A): 2 out of 3 assignments used, quality = 0.93: H LYS 90 + HA ASP 87 OK 91 100 - 92 - 9951=46, 10963/2.9=18...(21) H SER 102 + HA ASP 87 OK 16 90 - 17 - 10963/2.9=2, 3990/9907=2...(9) H GLU 17 - HA ASP 87 poor 9 77 - 12 - 7398/3.6=1, 3990/9907=1...(4) Peak 10964 from cnoeabs.peaks (4.60, 2.50, 40.10 ppm; 4.39 A): 3 out of 20 assignments used, quality = 0.57: HB THR 34 + HB2 ASP 36 OK 32 69 - 47 - 10524/3.6=25...(6) HB THR 34 + HB3 ASP 36 OK 29 61 - 47 - 10524/3.6=25...(6) HA ILE 8 + HB2 ASP 36 OK 11 52 - 21 - 8822/4.0=14, 8794/3.6=7 HA ILE 8 - HB3 ASP 36 poor 10 45 - 21 - 8822/4.0=14, 8794/3.6=7 HA ASP 11 - HB2 ASP 36 lone 5 69 - 7 - 8822/4.0=4, 8794/3.6=3 HA ASP 11 - HB3 ASP 36 lone 5 62 - 7 - 8822/4.0=4, 8794/3.6=3 HB THR 34 - HB3 ASP 87 lone 3 100 - 3 - HB THR 34 - HB2 ASP 87 lone 3 100 - 3 - HA ILE 8 - HB3 ASP 87 lone 1 84 - 2 - HA ILE 8 - HB2 ASP 87 lone 1 84 - 2 - HA ASP 11 - HB3 ASP 87 lone 1 100 - 1 - HA ASP 11 - HB2 ASP 87 lone 1 100 - 1 - HA HIS 105 - HB2 ASP 36 lone 1 67 - 1 - HA HIS 105 - HB2 ASP 87 lone 1 99 - 1 - HA HIS 105 - HB3 ASP 87 lone 1 99 - 1 - HA HIS 105 - HB3 ASP 36 lone 1 59 - 1 - HA THR 84 - HB2 ASP 87 lone 1 61 - 1 - HA THR 84 - HB3 ASP 87 lone 1 61 - 1 - HA THR 84 - HB2 ASP 36 lone 0 36 - 1 - HA THR 84 - HB3 ASP 36 lone 0 31 - 1 - Peak 10965 from cnoeabs.peaks (1.98, 2.50, 40.10 ppm; 4.40 A): 0 out of 32 assignments used, low quality = 0.44: HB2 GLU 37 - HB2 ASP 36 OK 27 67 - 40 - 6572/4.0=18, 3.0/8833=10...(7) HB2 GLU 37 - HB3 ASP 36 OK 24 59 - 41 - 6572/4.0=18, 3.0/8833=10...(7) HB2 GLU 37 - HB2 ASP 87 lone 9 99 - 9 - 3.0/8833=2, ~8833=2...(4) HB2 GLU 37 - HB3 ASP 87 lone 9 99 - 9 - 3.0/8833=2, ~8833=2...(4) QE MET 74 - HB2 ASP 36 lone 3 36 - 9 - 9585/3.6=3, 3366/4.0=3 HB2 ARG 46 - HB3 ASP 87 lone 3 96 - 3 - HB2 ARG 46 - HB2 ASP 87 lone 3 96 - 3 - HB2 ARG 46 - HB2 ASP 36 lone 3 62 - 5 - 6572/4.0=2 QE MET 74 - HB3 ASP 36 lone 3 31 - 9 - 9585/3.6=3, 3366/4.0=3 HB2 ARG 46 - HB3 ASP 36 lone 3 55 - 5 - 6572/4.0=2 QE MET 1 - HB2 ASP 36 lone 2 66 - 3 - 6572/4.0=1 HB2 LYS 47 - HB3 ASP 87 lone 2 81 - 3 - HB2 LYS 47 - HB2 ASP 87 lone 2 81 - 3 - QE MET 1 - HB3 ASP 36 lone 2 58 - 3 - 6572/4.0=1 HB2 LYS 47 - HB2 ASP 36 lone 2 49 - 3 - 6572/4.0=2 HB2 LYS 47 - HB3 ASP 36 lone 1 43 - 3 - 6572/4.0=2 QE MET 1 - HB2 ASP 87 lone 1 98 - 1 - QE MET 1 - HB3 ASP 87 lone 1 98 - 1 - HB2 GLU 44 - HB2 ASP 36 lone 1 38 - 3 - HB3 GLU 44 - HB2 ASP 36 lone 1 38 - 3 - HB3 GLU 44 - HB3 ASP 36 lone 1 33 - 3 - HB2 GLU 44 - HB3 ASP 36 lone 1 33 - 3 - HB3 MET 1 - HB2 ASP 36 lone 1 33 - 3 - QE MET 74 - HB3 ASP 87 lone 1 61 - 1 - QE MET 74 - HB2 ASP 87 lone 1 61 - 1 - HB3 MET 1 - HB3 ASP 36 lone 1 29 - 3 - HB2 GLU 44 - HB3 ASP 87 lone 1 65 - 1 - HB2 GLU 44 - HB2 ASP 87 lone 1 65 - 1 - HB3 GLU 44 - HB3 ASP 87 lone 1 65 - 1 - HB3 GLU 44 - HB2 ASP 87 lone 1 65 - 1 - HB3 MET 1 - HB2 ASP 87 lone 1 57 - 1 - HB3 MET 1 - HB3 ASP 87 lone 1 57 - 1 - Peak 10967 from cnoeabs.peaks (2.11, 4.22, 57.31 ppm; 4.07 A): 2 out of 11 assignments used, quality = 0.95: HB3 PRO 86 + HA ASP 87 OK 83 99 - 83 - 4.9=56, 7378/2.9=15...(20) HB2 PRO 86 + HA ASP 87 OK 73 90 - 82 - 4.9=56, 7377/2.9=14...(18) QE MET 21 - HA ASP 87 OK 27 92 - 30 - 8538/3.6=7, 8537/9951=6...(7) HB VAL 83 - HA ASP 87 poor 10 99 - 10 - 9775/9924=4, 7378/2.9=2 HG3 GLU 104 - HA ASP 87 lone 8 90 - 9 - 3.0/9908=2, 7378/2.9=1 HG3 GLU 37 - HA ASP 87 lone 4 100 - 4 - ~10965=1 HB3 GLU 37 - HA ASP 87 lone 4 70 - 5 - ~10965=1, ~8833=1 HB2 GLU 69 - HA ASP 87 lone 3 65 - 4 - 7377/2.9=1 HB3 GLU 69 - HA ASP 87 lone 3 65 - 4 - 7377/2.9=1 HB2 LEU 64 - HA ASP 87 lone 3 99 - 3 - HG2 GLU 69 - HA ASP 87 lone 1 65 - 2 - Peak 10968 from cnoeabs.peaks (2.48, 3.66, 58.73 ppm; 4.78 A): 3 out of 5 assignments used, quality = 0.96: HD2 ARG 91 + HA GLU 88 OK 79 99 - 79 - 1.8/9960=28, 9961=25...(16) HG3 GLU 23 + HA GLU 88 OK 67 96 - 71 - 1048/3.0=13, 2.9/3865=11...(25) HB3 ASP 87 + HA GLU 88 OK 43 77 - 56 - 3.0/9904=11, ~3861=8...(14) HB2 ASP 87 - HA GLU 88 OK 43 77 - 56 - 3.0/9904=11, ~3861=8...(14) HG3 GLU 98 - HA GLU 88 lone 2 94 - 2 - Peak 10970 from cnoeabs.peaks (3.89, 3.66, 58.73 ppm; 4.39 A): 2 out of 8 assignments used, quality = 0.95: HA ARG 91 + HA GLU 88 OK 83 100 - 83 - 3.0/3869=21, 3.0/4024=20...(19) HA ALA 89 + HA GLU 88 OK 69 84 - 82 - 3.6/7412=15...(22) HA GLU 35 - HA GLU 88 OK 34 100 - 34 - 9956=7, 10306/3.0=4...(13) HB2 SER 85 - HA GLU 88 OK 28 77 - 37 - ~9847=9, 9845/3.0=8...(7) HA GLU 43 - HA GLU 88 OK 21 99 - 21 - 9956=4, 10306/3.0=2...(4) HA LEU 38 - HA GLU 88 OK 12 81 - 15 - 3.0/3865=2, ~8853=2...(5) HA3 GLY 101 - HA GLU 88 lone 9 99 - 9 - 7406/3.6=1 HB2 SER 102 - HA GLU 88 lone 7 98 - 7 - 7406/3.6=1 Peak 10971 from cnoeabs.peaks (4.10, 1.34, 17.35 ppm; 3.42 A): 2 out of 3 assignments used, quality = 0.60: HA PRO 86 + QB ALA 89 OK 42 96 - 44 - 9854/2.9=12, 9880=12...(7) HA LYS 24 + QB ALA 89 OK 31 100 - 31 - 9923/2.9=9, 9950/3.6=6...(9) HA LYS 66 - QB ALA 89 lone 4 57 - 7 - ~7061=1, ~2884=1...(4) Peak 10972 from cnoeabs.peaks (3.66, 3.90, 55.61 ppm; 5.27 A): 2 out of 2 assignments used, quality = 0.99: HA GLU 88 + HA ALA 89 OK 92 100 - 92 - 7412/3.6=19...(24) HA LYS 90 + HA ALA 89 OK 87 87 - 100 - 4.8=100 Peak 10973 from cnoeabs.peaks (1.82, 3.90, 55.61 ppm; 4.85 A): 3 out of 9 assignments used, quality = 0.98: HB2 GLU 88 + HA ALA 89 OK 87 96 - 91 - ~7403=18, ~9933=17...(25) HB2 LYS 90 + HA ALA 89 OK 59 99 - 59 - 3924/3.6=27, 4.1/7430=11...(11) HB3 LEU 57 + HA ALA 89 OK 59 97 - 61 - 3.1/9929=22...(12) HB ILE 93 - HA ALA 89 OK 45 81 - 56 - 3.2/10325=12...(13) HB3 LYS 90 - HA ALA 89 OK 32 70 - 46 - 7418/3.6=16, 4.1/7430=11...(5) HB2 GLU 104 - HA ALA 89 OK 31 96 - 33 - 3878/3.0=6, ~9923=5...(11) HB2 LEU 42 - HA ALA 89 OK 25 92 - 27 - 7417/3.6=5, 3.1/9930=5...(7) HG2 ARG 46 - HA ALA 89 OK 21 96 - 22 - 3.0/3906=6, 7418/3.6=3...(8) HB2 LYS 39 - HA ALA 89 poor 8 61 - 13 - 3.0/3902=1, 7402/3.0=1 Peak 10974 from cnoeabs.peaks (2.11, 3.90, 55.61 ppm; 4.58 A): 4 out of 9 assignments used, quality = 0.99: HB VAL 83 + HA ALA 89 OK 92 98 - 94 - 2.1/9928=48, ~9931=30...(19) HB3 PRO 86 + HA ALA 89 OK 64 100 - 64 - ~10971=17, ~9854=14...(14) HB2 PRO 86 + HA ALA 89 OK 49 84 - 59 - ~10971=17, ~9854=14...(10) QE MET 21 + HA ALA 89 OK 47 96 - 49 - 8537/3.6=21, 8543/4.8=13...(9) HB2 LEU 64 - HA ALA 89 OK 27 98 - 27 - 3.0/12228=3, 1.8/12228=3...(11) HG3 GLU 104 - HA ALA 89 OK 19 94 - 21 - ~7404=5, 3.0/10307=3...(7) HG3 GLU 37 - HA ALA 89 lone 8 100 - 8 - 8814/8763=1 HB3 GLU 62 - HA ALA 89 lone 6 65 - 9 - 4.6/7019=3, 9944/3.6=2, ~9923=2 HB3 GLU 37 - HA ALA 89 lone 2 61 - 4 - Peak 10978 from cnoeabs.peaks (8.13, 3.67, 60.35 ppm; 5.35 A): 2 out of 4 assignments used, quality = 0.99: H ASP 87 + HA LYS 90 OK 94 99 - 94 - 10963/3.0=32, ~9951=26...(27) H TRP 92 + HA LYS 90 OK 87 100 - 88 - 7453/3.0=38, 7455/3.6=28...(20) H GLY 100 - HA LYS 90 OK 28 100 - 28 - 7448/3.6=5, 7426/3.0=5...(9) H HIS 106 - HA LYS 90 lone 2 61 - 3 - Peak 10979 from cnoeabs.peaks (8.25, 3.67, 60.35 ppm; 4.94 A): 3 out of 4 assignments used, quality = 0.79: H LYS 94 + HA LYS 90 OK 68 92 - 74 - 7501=23, 4.4/4129=17...(18) H PHE 45 + HA LYS 90 OK 20 98 - 20 - 10980/3.6=6, 5.5/14685=2...(6) H ALA 71 + HA LYS 90 OK 17 98 - 17 - 10980/3.6=4, 8536/8543=2...(5) H LEU 27 - HA LYS 90 lone 5 84 - 6 - 4.7/9947=1 Peak 10992 from cnoeabs.peaks (4.04, 1.08, 26.80 ppm; 5.81 A): 0 out of 6 assignments used, low quality = 0.30: HA LYS 20 - HG2 ARG 91 OK 30 77 - 39 - 3.7/4047=4, 3.7/4049=3...(20) HA GLU 16 - HG2 ARG 91 lone 9 96 - 10 - ~8473=1 HB3 SER 59 - HG2 ARG 91 lone 6 100 - 6 - 4.6/9418=1 HA LEU 70 - HG2 ARG 91 lone 5 70 - 7 - HA GLU 17 - HG2 ARG 91 lone 4 73 - 6 - HA GLU 95 - HG2 ARG 91 lone 2 81 - 3 - Peak 10995 from cnoeabs.peaks (0.73, 3.19, 29.79 ppm; 5.49 A): 3 out of 9 assignments used, quality = 0.73: HG3 ARG 81 + HB3 TRP 92 OK 40 94 - 43 - 1.8/12215=21...(6) QG1 VAL 5 + HB3 TRP 92 OK 37 99 - 37 - 8195/9992=13, ~8177=11...(7) HG13 ILE 93 + HB3 TRP 92 OK 28 84 - 34 - 7496/4.5=11...(5) QD2 LEU 27 - HB3 TRP 92 lone 10 100 - 10 - ~10138=4, 7496/4.5=2 QG2 VAL 78 - HB3 TRP 92 lone 7 94 - 7 - 8195/9992=2, 4.0/7275=1 HG13 ILE 56 - HB3 TRP 92 lone 6 73 - 9 - ~9986=3, 9270/9992=2 QG1 VAL 78 - HB3 TRP 92 lone 6 77 - 7 - ~9986=2, 4.0/7275=1 QD1 LEU 64 - HB3 TRP 92 lone 5 90 - 6 - QG1 VAL 58 - HB3 TRP 92 lone 4 92 - 4 - Peak 10996 from cnoeabs.peaks (2.41, 0.77, 14.14 ppm; 5.03 A): 2 out of 5 assignments used, quality = 0.98: HG3 MET 21 + QD1 ILE 93 OK 88 96 - 92 - 1.8/10024=21...(33) HB3 MET 21 + QD1 ILE 93 OK 86 94 - 92 - 4.6/11004=23...(32) HG2 GLN 50 - QD1 ILE 93 OK 30 96 - 31 - 1.8/9100=5, 2299/2.1=4...(13) HG2 GLN 72 - QD1 ILE 93 lone 7 73 - 9 - 4.8/10847=3, ~9566=2 HG3 MET 1 - QD1 ILE 93 lone 5 92 - 6 - Peak 10997 from cnoeabs.peaks (3.08, 0.77, 14.14 ppm; 5.54 A): 5 out of 6 assignments used, quality = 0.64: HB2 PHE 96 + QD1 ILE 93 OK 38 65 - 58 - 4325/4.2=18, ~10049=10...(13) HB3 ASN 26 + QD1 ILE 93 OK 15 81 - 19 - 4.7/6444=6, 3.8/8616=3...(6) HD3 ARG 30 + QD1 ILE 93 OK 13 100 - 12 - 3.0/8721=2, ~10999=2, 6.2/8713=1 HD3 ARG 79 + QD1 ILE 93 OK 12 97 - 12 - 9265/10021=3, ~10999=2 HD2 ARG 79 + QD1 ILE 93 OK 11 94 - 12 - 9265/10021=3, ~10999=2 HB3 HIS 105 - QD1 ILE 93 lone 1 73 - 2 - Peak 10998 from cnoeabs.peaks (3.84, 3.54, 66.22 ppm; 5.40 A): 3 out of 4 assignments used, quality = 0.77: HA ALA 22 + HA ILE 93 OK 60 92 - 66 - ~11002=23, 10028/3.2=20...(11) HA ALA 71 + HA ILE 93 OK 33 94 - 35 - 3.0/4125=9, ~4137=5...(8) HA ALA 67 + HA ILE 93 OK 13 70 - 18 - ~10006=6, 2.1/10007=4...(5) HA LYS 12 - HA ILE 93 lone 3 65 - 5 - ~8380=1 Peak 10999 from cnoeabs.peaks (1.55, 2.04, 30.82 ppm; 5.52 A): 0 out of 8 assignments used, low quality = 0.37: HB2 LEU 3 - HG12 ILE 93 OK 37 97 - 39 - 107/4.6=8, 4.4/4146=8...(8) HG3 ARG 79 - HG12 ILE 93 lone 6 90 - 7 - ~10997=3 HG2 ARG 79 - HG12 ILE 93 lone 6 87 - 7 - ~10997=3 HG3 ARG 30 - HG12 ILE 93 lone 6 73 - 8 - ~10997=4, ~8721=2 HD3 LYS 53 - HG12 ILE 93 lone 3 98 - 3 - HG12 ILE 56 - HG12 ILE 93 lone 3 77 - 3 - 10196/10198=1 HB3 GLU 28 - HG12 ILE 93 lone 2 70 - 3 - HG2 LYS 33 - HG12 ILE 93 lone 2 100 - 2 - Peak 11000 from cnoeabs.peaks (1.57, 0.75, 17.00 ppm; 4.92 A): 3 out of 8 assignments used, quality = 0.67: HG3 LYS 90 + QG2 ILE 93 OK 49 87 - 57 - 4.0/10027=14, 2.8/4140=8...(14) HB2 LEU 3 + QG2 ILE 93 OK 25 61 - 41 - 4.4/4138=7, 3.0/8109=6...(13) HD3 LYS 82 + QG2 ILE 93 OK 15 98 - 15 - 2.9/9761=2, 3.5/10320=2...(5) HG2 ARG 19 - QG2 ILE 93 lone 8 84 - 10 - 4.0/10028=3...(3) HG2 LYS 24 - QG2 ILE 93 lone 8 81 - 10 - 5.1/8593=2, 10472/8614=1 HB3 GLU 28 - QG2 ILE 93 lone 6 94 - 6 - 8657/8141=1 HB2 LEU 103 - QG2 ILE 93 lone 5 84 - 6 - 10070/10028=1 HG LEU 103 - QG2 ILE 93 lone 4 92 - 5 - Peak 11001 from cnoeabs.peaks (7.70, 0.77, 14.14 ppm; 5.66 A): 5 out of 5 assignments used, quality = 0.93: H MET 21 + QD1 ILE 93 OK 74 84 - 88 - 4.6/11004=29...(21) H ALA 25 + QD1 ILE 93 OK 44 84 - 53 - 10032/3.1=8...(19) H SER 85 + QD1 ILE 93 OK 27 94 - 29 - 10032/3.1=6...(9) HD22 ASN 51 + QD1 ILE 93 OK 25 87 - 28 - 10032/3.1=6, 3.5/10024=4...(10) H LEU 64 + QD1 ILE 93 OK 13 57 - 22 - 3.9/10318=7, ~2806=3...(6) Peak 11002 from cnoeabs.peaks (8.82, 0.75, 17.00 ppm; 4.59 A): 1 out of 1 assignment used, quality = 0.82: H ALA 22 + QG2 ILE 93 OK 82 100 - 83 - 3.0/10028=20...(20) Peak 11003 from cnoeabs.peaks (8.65, 0.77, 14.14 ppm; 5.91 A): 1 out of 4 assignments used, quality = 0.96: H ALA 18 + QD1 ILE 93 OK 96 100 - 96 - 2.9/10020=50...(15) H LEU 55 - QD1 ILE 93 OK 36 65 - 56 - 4.8/10021=38, 9293/5.0=4...(12) H ASN 10 - QD1 ILE 93 OK 22 84 - 26 - 4.0/8357=7, 3.0/8356=3...(8) H ASP 11 - QD1 ILE 93 OK 12 61 - 19 - 4.6/8357=6, 3.6/8356=3...(5) Peak 11004 from cnoeabs.peaks (8.81, 0.77, 14.14 ppm; 4.62 A): 1 out of 3 assignments used, quality = 0.80: H ALA 22 + QD1 ILE 93 OK 80 94 - 86 - 11002/3.1=23...(22) H ILE 8 - QD1 ILE 93 lone 9 94 - 10 - 4.7/6077=1 H SER 59 - QD1 ILE 93 lone 5 94 - 5 - Peak 11005 from cnoeabs.peaks (8.91, 0.77, 14.14 ppm; 5.46 A): 2 out of 3 assignments used, quality = 0.82: H ARG 19 + QD1 ILE 93 OK 72 90 - 80 - 3.6/10020=47...(8) H VAL 5 + QD1 ILE 93 OK 35 97 - 36 - 4.6/4162=8, 6046/5.0=6...(13) H LEU 57 - QD1 ILE 93 lone 4 65 - 6 - Peak 11008 from cnoeabs.peaks (4.60, 3.87, 59.89 ppm; 5.84 A): 0 out of 5 assignments used, low quality = 0.12: HA ILE 8 - HA LYS 94 OK 12 77 - 15 - 4.1/8306=3, 4.1/4175=2...(4) HB THR 34 - HA LYS 94 lone 7 100 - 7 - 2.1/8765=2 HA ASP 11 - HA LYS 94 lone 6 100 - 6 - 3.6/6151=2 HA HIS 105 - HA LYS 94 lone 2 100 - 2 - HA THR 84 - HA LYS 94 lone 1 70 - 2 - Peak 11009 from cnoeabs.peaks (0.82, 1.62, 29.36 ppm; 3.72 A): 4 out of 9 assignments used, quality = 0.66: QD1 LEU 70 + HD2 LYS 94 OK 34 99 - 35 - 3.1/4235=6, 3160/3.0=4...(14) QD2 LEU 70 + HD2 LYS 94 OK 28 87 - 33 - 3.1/4235=6, 3168/3.0=4...(14) QD2 LEU 2 + HD2 LYS 94 OK 18 90 - 20 - 8057/3.5=4, 79/3.0=3...(8) QG2 VAL 32 + HD2 LYS 94 OK 11 87 - 13 - 10335/3.0=2, ~10336=2...(4) QD2 LEU 103 - HD2 LYS 94 lone 5 97 - 5 - QG2 ILE 15 - HD2 LYS 94 lone 5 92 - 5 - 3.0/11010=1 QD1 ILE 76 - HD2 LYS 94 lone 4 61 - 7 - QD2 LEU 38 - HD2 LYS 94 lone 4 100 - 4 - 3.8/4231=1 QD1 LEU 57 - HD2 LYS 94 lone 2 96 - 2 - Peak 11010 from cnoeabs.peaks (0.75, 1.62, 29.36 ppm; 3.93 A): 5 out of 12 assignments used, quality = 0.89: QG2 ILE 93 + HD2 LYS 94 OK 55 100 - 55 - 4.3/7517=9, 12249/4.7=8...(21) HG13 ILE 93 + HD2 LYS 94 OK 40 94 - 43 - 1.8/4233=7, 4.6/4240=5...(19) QD1 LEU 27 + HD2 LYS 94 OK 32 73 - 44 - 2.1/4237=5, 10485/3.5=4...(19) QD1 ILE 93 + HD2 LYS 94 OK 27 70 - 40 - 2.1/4233=6, 5.0/4240=4...(16) QD1 LEU 64 + HD2 LYS 94 OK 15 90 - 16 - 3.1/12250=2, 10254/3.0=1...(5) HG13 ILE 15 - HD2 LYS 94 lone 8 100 - 8 - 3.2/11009=1, 8450/4.7=1 QD1 ILE 15 - HD2 LYS 94 lone 8 97 - 8 - 3.0/11009=1, 8446/4.7=1 QG1 VAL 78 - HD2 LYS 94 lone 5 97 - 5 - QG1 VAL 54 - HD2 LYS 94 lone 5 94 - 5 - 10658/4.7=1 QD2 LEU 42 - HD2 LYS 94 lone 4 81 - 5 - 8924/4.7=1, 7511/6.3=1 HG3 ARG 81 - HD2 LYS 94 lone 2 84 - 2 - QD1 LEU 6 - HD2 LYS 94 lone 1 65 - 1 - Peak 11012 from cnoeabs.peaks (1.33, 4.02, 59.37 ppm; 4.59 A): 5 out of 8 assignments used, quality = 0.81: HG2 LYS 94 + HA GLU 95 OK 65 92 - 71 - 3.7/11014=17, ~7533=12...(15) QB ALA 67 + HA GLU 95 OK 16 96 - 17 - 2.1/11014=5, 7532/3.0=3...(5) QB ALA 89 + HA GLU 95 OK 15 92 - 17 - 9939/3.0=8, ~7524=4, 9939/4274=1 QB ALA 25 + HA GLU 95 OK 11 92 - 12 - 7532/3.0=4...(4) HB3 LEU 27 + HA GLU 95 OK 10 77 - 14 - 7532/3.0=3, 10063/7568=3...(5) HB3 LEU 2 - HA GLU 95 lone 9 99 - 9 - 7532/3.0=2, 9603/10282=1 HG2 LYS 39 - HA GLU 95 lone 7 73 - 10 - 7532/3.0=2, ~7534=1 HB2 LYS 82 - HA GLU 95 lone 3 81 - 3 - Peak 11013 from cnoeabs.peaks (0.68, 2.27, 36.23 ppm; 4.54 A): 0 out of 20 assignments used, low quality = 0.45: QG2 VAL 58 - HG2 GLU 95 OK 26 79 - 34 - ~10042=8, 2.1/10716=7...(8) QD1 ILE 52 - HG2 GLU 95 OK 25 72 - 35 - ~10040=19, ~10041=9...(5) QG2 VAL 58 - HG2 GLU 23 poor 10 96 - 10 - 2.1/10716=3, ~9382=2, ~10704=1 QD1 ILE 52 - HG2 GLU 23 lone 6 90 - 6 - 2.1/10460=1, 9152/5.0=1 QD1 LEU 42 - HG2 GLU 95 lone 5 84 - 6 - ~10041=2 QG2 VAL 58 - HG3 GLU 62 poor 5 35 - 15 - ~9382=6, 2.1/10716=3...(4) QG2 VAL 58 - HG2 GLU 62 poor 5 35 - 15 - ~9382=6, 2.1/10716=3...(4) QD1 LEU 42 - HG2 GLU 23 lone 5 99 - 5 - QD1 LEU 14 - HG2 GLU 95 lone 4 82 - 5 - ~10042=2 QD2 LEU 6 - HG2 GLU 95 lone 4 85 - 5 - ~10041=1 QD1 LEU 14 - HG2 GLU 23 lone 4 98 - 4 - QD1 LEU 42 - HG2 GLU 62 lone 3 38 - 9 - 4.0/10345=3, 10740/4.9=2 QD1 LEU 42 - HG3 GLU 62 lone 3 38 - 9 - 4.0/10345=3, 10740/4.9=2 QD2 LEU 6 - HG2 GLU 23 lone 2 100 - 2 - QD2 LEU 6 - HG2 GLU 62 lone 2 39 - 5 - 10740/4.9=1 QD2 LEU 6 - HG3 GLU 62 lone 2 39 - 5 - 10740/4.9=1 QD1 ILE 52 - HG2 GLU 62 lone 2 31 - 5 - 10740/4.9=3 QD1 ILE 52 - HG3 GLU 62 lone 2 31 - 5 - 10740/4.9=3 QD1 LEU 14 - HG3 GLU 62 lone 1 37 - 3 - QD1 LEU 14 - HG2 GLU 62 lone 1 37 - 3 - Peak 11014 from cnoeabs.peaks (3.87, 4.02, 59.37 ppm; 3.74 A): 2 out of 9 assignments used, quality = 0.61: HA LYS 94 + HA GLU 95 OK 56 100 - 56 - 3.7/11012=9, 4181/3.6=8...(14) HA ALA 67 + HA GLU 95 OK 12 87 - 14 - 2.1/11012=3, 7529/3.0=3...(4) HA2 GLY 100 - HA GLU 95 lone 8 100 - 9 - 7582/4281=2, 7529/3.0=2...(4) HA LYS 40 - HA GLU 95 lone 8 100 - 8 - 7529/3.0=2 HA2 GLY 101 - HA GLU 95 lone 7 100 - 7 - ~7524=2, 7529/3.0=2 HA GLU 43 - HA GLU 95 poor 7 70 - 10 - 7524/3.0=2, 2.9/4280=1 HA LEU 38 - HA GLU 95 lone 6 96 - 6 - 7529/3.0=1 HA LYS 12 - HA GLU 95 lone 5 90 - 6 - 7529/3.0=1 HB3 SER 49 - HA GLU 95 lone 4 94 - 4 - 7529/3.0=1 Peak 11015 from cnoeabs.peaks (7.42, 2.52, 36.47 ppm; 5.87 A): 0 out of 2 assignments used, low quality = 0.19: HE3 TRP 92 - HG3 GLU 95 OK 19 92 - 21 - 14641/2.9=12, ~9976=6 H ALA 89 - HG3 GLU 95 lone 7 99 - 7 - 7404/2.9=2 Peak 11016 from cnoeabs.peaks (6.94, 4.51, 59.61 ppm; 4.26 A): 2 out of 2 assignments used, quality = 0.63: HE1 PHE 96 + HA PHE 96 OK 41 73 - 56 - 6.4=30, 2.5/4318=21...(5) HE2 PHE 96 + HA PHE 96 OK 37 65 - 57 - 6.3=30, 2.5/4318=22...(5) Peak 11022 from cnoeabs.peaks (3.81, 4.19, 57.07 ppm; 5.32 A): 4 out of 5 assignments used, quality = 0.90: HA SER 97 + HA GLU 98 OK 84 100 - 85 - 3.0/11023=36, ~7579=28...(8) HA ARG 19 + HA GLU 98 OK 18 99 - 18 - 7601/3.6=8, 7587/2.9=5...(4) HA LYS 68 + HA GLU 98 OK 12 96 - 13 - 7587/2.9=4, 7601/3.6=3 HA ALA 22 + HA GLU 98 OK 12 84 - 14 - 7601/3.6=5, 7587/2.9=4 HB3 SER 102 - HA GLU 98 lone 7 100 - 7 - 7601/3.6=2, 7587/2.9=2 Peak 11023 from cnoeabs.peaks (4.00, 4.19, 57.07 ppm; 4.33 A): 0 out of 3 assignments used, low quality = 0.40: HB3 SER 97 - HA GLU 98 OK 40 81 - 50 - ~7588=24, 7589/2.9=23 HA GLU 69 - HA GLU 98 lone 4 100 - 4 - 7589/2.9=2, 4.9/11022=2 HA GLU 75 - HA GLU 98 lone 2 100 - 2 - Peak 11024 from cnoeabs.peaks (2.96, 2.24, 36.00 ppm; 4.81 A): 5 out of 11 assignments used, quality = 0.58: HE2 LYS 13 + HG2 GLU 17 OK 21 100 - 21 - 2.9/10436=4, 2.9/10436=4...(7) HE3 LYS 13 + HG2 GLU 17 OK 20 100 - 21 - 2.9/10436=4, 2.9/10436=4...(7) HE2 LYS 73 + HG2 GLU 17 OK 15 92 - 16 - 7.0/7199=3, 4.0/12182=2...(6) HE3 LYS 73 + HG2 GLU 17 OK 12 77 - 16 - 7.0/7199=3, 4.0/12182=2...(6) HE3 LYS 12 + HG2 GLU 17 OK 11 99 - 11 - 3.0/12233=3, 3.0/12233=3...(4) HB2 ASN 51 - HG2 GLU 17 poor 9 77 - 12 - 10633/1.8=2, 9111/3.0=2...(5) HE2 LYS 24 - HG2 GLU 17 lone 8 100 - 8 - 3.0/10436=2, 3.0/10436=2 HE3 LYS 24 - HG2 GLU 17 lone 8 100 - 8 - 3.0/10436=2, 3.0/10436=2 HB3 PHE 45 - HG2 GLU 17 lone 4 98 - 4 - ~10181=1 HE2 LYS 47 - HG2 GLU 17 lone 3 84 - 4 - HE3 LYS 47 - HG2 GLU 17 lone 3 84 - 4 - Peak 11025 from cnoeabs.peaks (4.51, 2.22, 36.00 ppm; 5.08 A): 3 out of 4 assignments used, quality = 0.71: HA PHE 96 + HG2 GLU 98 OK 44 83 - 53 - 7599/4.9=21, 7585/5.2=19...(6) HA PHE 96 + HG2 GLU 99 OK 42 98 - 43 - 7599/4.7=22, 4413/3.0=8...(7) HA PHE 45 + HG2 GLU 99 OK 10 81 - 12 - 7599/4.7=5, 4413/3.0=2 HA PHE 45 - HG2 GLU 98 poor 9 64 - 14 - 7599/4.9=5, 7585/5.2=4...(4) Peak 11026 from cnoeabs.peaks (8.16, 4.19, 57.07 ppm; 4.62 A): 0 out of 1 assignment used, low quality = 0.00: H HIS 106 - HA GLU 98 lone 6 98 - 6 - 7596/2.9=2, 7613/3.6=2 Peak 11027 from cnoeabs.peaks (8.55, 2.43, 36.00 ppm; 5.16 A): 8 out of 12 assignments used, quality = 0.93: H GLN 50 + HG3 GLU 48 OK 58 83 - 70 - 12314/4.1=19...(15) H GLN 50 + HG3 GLU 17 OK 40 100 - 40 - 6816=6, 6810/3.9=5...(14) H LYS 12 + HG3 GLU 17 OK 22 90 - 24 - 6149=5, 4.7/6143=4...(6) H ASN 51 + HG3 GLU 48 OK 21 52 - 41 - 9031/3.0=9, 4.0/10633=8...(10) H LYS 12 + HG3 GLU 48 OK 20 70 - 28 - 12314/4.1=7, 4.7/6143=5...(6) H ASN 51 + HG3 GLU 17 OK 17 70 - 25 - 4.6/6816=4, 3.6/2278=4...(8) H GLN 50 + HG3 GLU 99 OK 16 64 - 24 - 6816=3, 4.6/6802=3...(10) H VAL 58 + HG3 GLU 48 OK 15 74 - 20 - 12314/4.1=6, 9031/3.0=6...(4) H VAL 58 - HG3 GLU 17 lone 6 94 - 7 - H ASN 51 - HG3 GLU 99 poor 5 38 - 13 - 3.6/2278=2, 4.6/6816=2...(6) H LYS 12 - HG3 GLU 99 lone 4 53 - 8 - 6149=2, 4.7/6143=1, 3.6/367=1 H VAL 58 - HG3 GLU 99 lone 2 57 - 4 - Peak 11028 from cnoeabs.peaks (1.83, 3.87, 45.30 ppm; 6.50 A): 6 out of 12 assignments used, quality = 0.87: HG2 ARG 46 + HA2 GLY 101 OK 67 80 - 83 - 2086/3.0=15...(20) HG2 ARG 46 + HA2 GLY 100 OK 35 99 - 35 - 2086/3.6=15, 1.8/10173=5...(9) HB3 LYS 90 + HA2 GLY 101 OK 13 79 - 17 - 3935/3.6=8, 8115/10094=2 HB3 LYS 90 + HA2 GLY 100 OK 13 99 - 13 - ~10978=4, 8115/10094=3 HB2 LYS 53 + HA2 GLY 100 OK 11 87 - 12 - 8115/10094=8, 9190/10093=1 HB2 LYS 53 + HA2 GLY 101 OK 11 65 - 16 - ~10102=7, 8115/10094=5 HB2 LYS 68 - HA2 GLY 100 lone 8 94 - 9 - ~7616=2 HB3 LEU 57 - HA2 GLY 101 poor 8 79 - 10 - ~10698=2, ~10697=2 HB2 LYS 90 - HA2 GLY 100 poor 7 70 - 10 - ~10978=4 HB2 LYS 90 - HA2 GLY 101 poor 6 50 - 12 - 3924/3.6=5 HB3 LEU 57 - HA2 GLY 100 lone 6 99 - 6 - HB2 LYS 68 - HA2 GLY 101 lone 5 73 - 7 - 3935/3.6=1 Peak 11029 from cnoeabs.peaks (8.26, 3.89, 45.04 ppm; 5.66 A): 2 out of 4 assignments used, quality = 0.55: H LYS 94 + HA3 GLY 101 OK 35 100 - 35 - 4.0/4196=7, 7502=6...(10) H PHE 45 + HA3 GLY 101 OK 30 100 - 30 - 4.6/4447=7, 6734/3.0=7...(8) H ALA 71 - HA3 GLY 101 lone 9 100 - 9 - 6734/3.0=1 H GLU 23 - HA3 GLY 101 lone 8 84 - 10 - 7642/3.6=2, ~10099=2 Peak 11033 from cnoeabs.peaks (1.46, 1.30, 27.70 ppm; 4.04 A): 5 out of 14 assignments used, quality = 1.00: HG2 LYS 53 + HG LEU 3 OK 81 97 - 84 - ~9186=19, ~9192=18...(23) HD2 LYS 53 + HG LEU 3 OK 81 100 - 81 - 9192/2.1=35, 1.8/118=13...(24) HB2 LEU 27 + HG LEU 3 OK 77 100 - 77 - ~10136=17, ~10137=16...(16) HG3 LYS 53 + HG LEU 3 OK 72 87 - 83 - ~9186=19, ~9192=18...(23) HD2 LYS 82 + HG LEU 3 OK 59 100 - 60 - 1.8/118=7, 2.9/119=7...(21) HD2 LYS 40 - HG LEU 3 OK 44 96 - 47 - 3.5/8118=6, 3.0/119=6...(23) HD3 LYS 40 - HG LEU 3 OK 44 94 - 47 - 3.5/8118=6, 3.0/119=6...(23) HG13 ILE 52 - HG LEU 3 OK 26 100 - 26 - 3.8/8104=8, 3.0/8118=7...(7) HG2 LYS 20 - HG LEU 3 OK 15 100 - 15 - 9191/2.1=3, 1.8/8118=2...(6) HB2 LEU 38 - HG LEU 3 lone 7 100 - 7 - HG3 ARG 91 - HG LEU 3 lone 6 99 - 6 - 4.8/7435=2 HG LEU 38 - HG LEU 3 lone 6 100 - 6 - HG3 LYS 39 - HG LEU 3 lone 5 77 - 7 - 3.9/1679=3 HG2 LYS 12 - HG LEU 3 lone 2 90 - 2 - Peak 11034 from cnoeabs.peaks (1.47, 5.13, 53.57 ppm; 4.93 A): 7 out of 13 assignments used, quality = 1.00: HD2 LYS 53 + HA LEU 3 OK 77 98 - 79 - 9192/3.9=33, 3.6/9202=13...(18) HG2 LYS 53 + HA LEU 3 OK 76 100 - 76 - 9191/3.9=17, 3.0/9202=15...(18) HG3 LYS 53 + HA LEU 3 OK 75 100 - 75 - 3.0/9202=15, 9191/3.9=15...(18) HB2 LEU 27 + HA LEU 3 OK 74 96 - 77 - 3.1/10488=19, ~8080=15...(14) HD2 LYS 82 + HA LEU 3 OK 66 98 - 67 - ~3708=9, 1.8/94=8...(20) HD3 LYS 40 + HA LEU 3 OK 46 100 - 46 - 3.0/95=6, ~1799=5...(17) HD2 LYS 40 + HA LEU 3 OK 46 100 - 46 - 3.0/95=6, ~1799=5...(17) HG13 ILE 52 - HA LEU 3 OK 23 96 - 24 - 3.8/8105=11, 2373/9178=3...(5) HG2 LYS 20 - HA LEU 3 lone 9 96 - 9 - 9191/3.9=3 HG LEU 38 - HA LEU 3 lone 6 98 - 6 - HB2 LEU 38 - HA LEU 3 lone 5 92 - 5 - HG LEU 64 - HA LEU 3 lone 4 77 - 5 - ~12276=1 HG3 ARG 91 - HA LEU 3 lone 4 84 - 5 - Peak 11063 from cnoeabs.peaks (4.41, 1.70, 28.93 ppm; 4.04 A): 9 out of 48 assignments used, quality = 0.89: HA ALA 25 + HD3 LYS 24 OK 47 83 - 57 - 10472/3.0=15, ~1105=7...(15) HA ALA 25 + HD2 LYS 24 OK 44 77 - 57 - 10472/3.0=15, ~1105=7...(15) HA MET 21 + HD3 LYS 24 OK 16 85 - 19 - 956/6.3=4, 957/3.6=3...(6) HA MET 21 + HD2 LYS 24 OK 15 79 - 19 - 956/6.3=4, 957/3.6=3...(6) HA MET 74 + HD3 LYS 24 OK 13 83 - 16 - 8594/3.0=3, 3329/3.6=2...(6) HA MET 74 + HD3 LYS 13 OK 12 99 - 12 - ~9590=2, 3333/6.0=2...(6) HA MET 74 + HD2 LYS 13 OK 12 98 - 12 - ~9590=2, 3333/6.0=2...(6) HA MET 74 + HD2 LYS 24 OK 12 77 - 16 - 8594/3.0=3, 3329/3.6=2...(6) HA ILE 76 + HD3 LYS 13 OK 10 57 - 18 - ~527=4, ~538=2...(6) HA ILE 76 - HD2 LYS 13 poor 10 56 - 18 - ~527=4, ~538=2...(6) HA ALA 25 - HD2 LYS 12 lone 9 92 - 10 - 4.8/1056=1, ~1094=1, 3.0/6404=1 HA ALA 25 - HD3 LYS 12 lone 9 92 - 10 - 4.8/1056=1, ~1094=1, 3.0/6404=1 HA ALA 25 - HD3 LYS 13 lone 7 99 - 8 - 4.8/1056=1 HA ALA 25 - HD2 LYS 13 lone 7 98 - 7 - 4.8/1056=1, 3.0/6404=1 HA VAL 32 - HD3 LYS 24 lone 7 85 - 8 - 10145/3.0=2, ~8945=1, 8594/3.0=1 HA VAL 32 - HD2 LYS 24 lone 7 79 - 8 - 10145/3.0=2, ~8945=1, 8594/3.0=1 HA MET 74 - HD2 LYS 12 lone 6 92 - 6 - ~3281=2, ~7220=1 HA MET 74 - HD3 LYS 12 lone 6 92 - 6 - ~3281=2, ~7220=1 HA ILE 76 - HD3 LYS 24 poor 5 43 - 11 - 8595/3.0=1, ~1095=1, 8594/3.0=1 HA GLN 50 - HD3 LYS 12 lone 5 83 - 6 - ~415=1 HA GLN 50 - HD2 LYS 12 lone 5 83 - 6 - ~415=1 HA HIS 106 - HD3 LYS 24 lone 5 86 - 5 - HA ILE 76 - HD2 LYS 24 poor 4 39 - 11 - 8595/3.0=1, ~1095=1, 8594/3.0=1 HA HIS 106 - HD2 LYS 24 lone 4 80 - 5 - HA MET 21 - HD3 LYS 12 lone 4 94 - 4 - 8565/3.0=1 HA MET 21 - HD2 LYS 12 lone 4 94 - 4 - 8565/3.0=1 HA ILE 76 - HD2 LYS 12 lone 4 50 - 8 - HA ILE 76 - HD3 LYS 12 lone 4 50 - 8 - HA GLU 48 - HD3 LYS 24 lone 4 43 - 8 - HA GLU 48 - HD3 LYS 13 lone 3 57 - 6 - ~6784=2, ~2167=1 HA GLU 48 - HD2 LYS 24 lone 3 39 - 8 - HA GLU 48 - HD2 LYS 13 lone 3 56 - 6 - ~6784=2, ~2167=1 HA MET 21 - HD2 LYS 13 lone 2 99 - 2 - HA MET 21 - HD3 LYS 13 lone 2 100 - 2 - HA GLU 48 - HD2 LYS 12 lone 2 50 - 5 - HA GLU 48 - HD3 LYS 12 lone 2 50 - 5 - HA VAL 32 - HD3 LYS 12 lone 2 94 - 2 - HA VAL 32 - HD2 LYS 12 lone 2 94 - 2 - HA VAL 32 - HD3 LYS 13 lone 2 100 - 2 - HA VAL 32 - HD2 LYS 13 lone 2 99 - 2 - HA GLN 50 - HD3 LYS 24 lone 1 74 - 2 - HA GLN 50 - HD2 LYS 24 lone 1 68 - 2 - HA GLN 50 - HD3 LYS 13 lone 1 92 - 1 - HA GLN 50 - HD2 LYS 13 lone 1 90 - 1 - HA HIS 106 - HD3 LYS 12 lone 1 94 - 1 - HA HIS 106 - HD2 LYS 12 lone 1 94 - 1 - HA HIS 106 - HD2 LYS 13 lone 1 99 - 1 - HA HIS 106 - HD3 LYS 13 lone 1 100 - 1 - Peak 11065 from cnoeabs.peaks (8.50, 4.24, 69.49 ppm; 3.21 A): 2 out of 6 assignments used, quality = 0.84: * H THR 31 + HB THR 31 OK 72 100 - 72 - 3.9=56, 6501/2.1=18...(6) H VAL 32 + HB THR 31 OK 42 73 - 57 - 4.7=33, 6505/3.0=13...(5) H VAL 54 - HB THR 31 lone 6 98 - 6 - 1384/2.1=2, 4.0/8725=2 H LEU 2 - HB THR 31 lone 4 84 - 5 - 1384/2.1=1 H ARG 79 - HB THR 31 lone 2 100 - 2 - H ALA 67 - HB THR 31 lone 2 73 - 2 - Peak 11067 from cnoeabs.peaks (1.38, 2.26, 36.95 ppm; 5.69 A): 5 out of 12 assignments used, quality = 0.82: HG3 LYS 94 + HG2 GLU 62 OK 38 62 - 62 - 4222/2.9=9, 12253/2.9=9...(18) HG3 LYS 94 + HG3 GLU 62 OK 38 62 - 62 - 4222/2.9=9, 12253/2.9=9...(18) HB2 LEU 70 + HG2 GLU 37 OK 37 90 - 41 - ~8837=5, ~8850=5...(13) HG12 ILE 8 + HG2 GLU 37 OK 14 70 - 20 - 1.8/8844=5, ~8837=3...(6) HG3 LYS 94 + HG2 GLU 37 OK 13 100 - 13 - 12253/1.8=2, ~12252=2...(5) HB3 ARG 30 - HG2 GLU 37 lone 7 94 - 8 - 8233/8817=2, 8700/8813=2 HB2 LEU 70 - HG2 GLU 62 lone 4 50 - 8 - HB2 LEU 70 - HG3 GLU 62 lone 4 50 - 8 - HB3 ARG 30 - HG2 GLU 62 lone 2 54 - 4 - HB3 ARG 30 - HG3 GLU 62 lone 2 54 - 4 - HG12 ILE 8 - HG2 GLU 62 lone 2 36 - 6 - 1.8/8844=1 HG12 ILE 8 - HG3 GLU 62 lone 2 36 - 6 - 1.8/8844=1 Peak 11069 from cnoeabs.peaks (1.72, 3.03, 39.70 ppm; 4.25 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11070 from cnoeabs.peaks (0.88, 0.65, 22.12 ppm; 3.43 A): 4 out of 6 assignments used, quality = 0.60: QG2 ILE 76 + QG2 VAL 54 OK 29 100 - 29 - ~10885=6, 9636/9231=5...(12) HG13 ILE 7 + QG2 VAL 54 OK 21 87 - 25 - ~10210=10, 2.9/10207=4...(5) HG13 ILE 8 + QG2 VAL 54 OK 18 98 - 18 - ~12126=3, 9233/2.1=3...(6) QD1 LEU 2 + QG2 VAL 54 OK 13 100 - 13 - 2.1/10207=2, ~10651=2...(6) QD1 LEU 103 - QG2 VAL 54 lone 1 70 - 1 - QD2 LEU 64 - QG2 VAL 54 lone 1 61 - 1 - Peak 11071 from cnoeabs.peaks (5.23, 0.60, 16.63 ppm; 5.94 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11072 from cnoeabs.peaks (2.17, 3.19, 43.64 ppm; 5.17 A): 3 out of 8 assignments used, quality = 0.51: HG2 GLU 43 + HD3 ARG 46 OK 26 81 - 32 - 10175/1.8=12...(4) HB3 GLU 16 + HD3 ARG 46 OK 22 94 - 23 - 10175/1.8=8, 4.0/2113=6...(5) HB3 GLN 50 + HD3 ARG 46 OK 16 100 - 16 - 10175/1.8=6, 3.0/9013=4, ~9012=3 HG2 GLU 75 - HD3 ARG 46 lone 10 100 - 10 - 10175/1.8=4, ~10175=3 HG3 GLU 75 - HD3 ARG 46 lone 10 100 - 10 - 10175/1.8=4, ~10175=3 HB2 GLN 72 - HD3 ARG 46 lone 6 90 - 6 - 10175/1.8=2, 10865/9013=2 HB3 GLU 75 - HD3 ARG 46 lone 5 77 - 6 - ~10175=2, 10175/1.8=2 HB3 GLU 95 - HD3 ARG 46 lone 4 73 - 5 - 10175/1.8=1, 4093/4083=1 Peak 11073 from cnoeabs.peaks (6.98, 4.13, 56.52 ppm; 5.32 A): 0 out of 3 assignments used, low quality = 0.00: HD21 ASN 51 - HA GLU 104 lone 3 98 - 3 - ~10297=1 HD21 ASN 10 - HA GLU 104 lone 1 100 - 1 - HE ARG 91 - HA GLU 104 lone 1 84 - 2 - Peak 11076 from cnoeabs.peaks (0.86, 4.13, 56.52 ppm; 5.71 A): 3 out of 3 assignments used, quality = 0.73: QD1 LEU 103 + HA GLU 104 OK 53 97 - 55 - 7662/3.0=18, ~7661=12...(7) QD2 LEU 64 + HA GLU 104 OK 29 99 - 29 - 4.9/7044=9, 4.5/7028=7...(7) QD1 LEU 38 + HA GLU 104 OK 19 100 - 19 - 7662/3.0=8, ~7661=5...(4) Peak 11077 from cnoeabs.peaks (2.09, 1.29, 25.29 ppm; 4.57 A): 3 out of 9 assignments used, quality = 0.92: QE MET 21 + HG2 LYS 90 OK 65 94 - 70 - 8543/4.0=16, 8537/4.9=15...(17) HB3 GLU 88 + HG2 LYS 90 OK 62 87 - 72 - 10308/2.8=12...(20) HB3 PRO 86 + HG2 LYS 90 OK 38 77 - 49 - 4.9/9952=18, 10308/2.8=5...(17) HG3 GLU 104 - HG2 LYS 90 OK 22 96 - 23 - 4544/2.8=4, 3.0/3948=3...(8) HB3 GLU 35 - HG2 LYS 90 OK 19 94 - 20 - 1.8/10310=5, 10308/2.8=3...(7) HB2 GLU 23 - HG2 LYS 90 OK 14 100 - 14 - 10308/2.8=3, ~10464=2...(5) HB3 GLU 62 - HG2 LYS 90 OK 11 100 - 10 - 1.8/10310=2, 9944/4.9=2...(5) HB2 GLU 16 - HG2 LYS 90 lone 8 81 - 9 - 4.6/3946=4, 10308/2.8=1 HB3 LEU 38 - HG2 LYS 90 lone 3 70 - 5 - Peak 11079 from cnoeabs.peaks (0.60, 1.35, 28.11 ppm; 4.67 A): 1 out of 1 assignment used, quality = 0.82: QG2 ILE 56 + HG LEU 14 OK 82 100 - 82 - 10673/3.0=11...(33) Peak 11083 from cnoeabs.peaks (1.77, 2.29, 29.86 ppm; 4.61 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11085 from cnoeabs.peaks (1.71, 2.20, 28.22 ppm; 3.79 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11086 from cnoeabs.peaks (3.82, 4.05, 59.39 ppm; 4.14 A): 6 out of 10 assignments used, quality = 0.92: HA ARG 19 + HA LYS 20 OK 73 88 - 83 - 3.0/798=14, 3.0/788=13...(26) HA ALA 22 + HA LYS 20 OK 43 93 - 46 - 3.0/6344=12, 3.6/855=11...(8) HA ARG 19 + HA GLU 16 OK 19 46 - 42 - 3.0/6278=9, ~10416=7...(11) HA LYS 68 + HA LYS 20 OK 19 76 - 24 - 6299/2.9=6, 6321/3.6=5...(8) HA SER 97 + HA LYS 20 OK 13 97 - 13 - 6299/2.9=4, 6321/3.6=2...(4) HA ALA 22 + HA GLU 16 OK 12 51 - 24 - 3.6/6358=9, 3.0/6344=4...(7) HB3 SER 102 - HA LYS 20 lone 6 90 - 7 - 6321/3.6=2, 6299/2.9=1 HA SER 97 - HA GLU 16 lone 4 54 - 6 - HB3 SER 102 - HA GLU 16 lone 3 48 - 5 - 4461/3.6=2 HA LYS 68 - HA GLU 16 lone 2 38 - 6 - Peak 11090 from cnoeabs.peaks (0.73, 3.80, 63.76 ppm; 5.27 A): 0 out of 12 assignments used, low quality = 0.10: HG3 ARG 81 - HB3 SER 102 OK 10 38 - 27 - ~10110=15, ~3602=3...(7) QG1 VAL 5 - HB3 SER 102 lone 3 52 - 5 - 2.1/10368=1, 8182=1 QG2 VAL 78 - HB3 SER 102 lone 3 50 - 5 - 2.1/10904=2 QD2 LEU 27 - HB3 SER 102 lone 3 51 - 5 - 8640=2 QG1 VAL 58 - HB3 SER 102 lone 2 49 - 3 - QG1 VAL 78 - HB3 SER 102 lone 1 25 - 4 - HG13 ILE 93 - HB3 SER 102 lone 1 30 - 3 - ~10325=1 QD2 LEU 14 - HB3 SER 102 lone 1 27 - 3 - QD1 LEU 64 - HB3 SER 102 lone 1 34 - 2 - HG13 ILE 56 - HB3 SER 102 lone 1 39 - 2 - QD1 ILE 8 - HB3 SER 102 lone 1 30 - 2 - QD1 ILE 56 - HB3 SER 102 lone 0 25 - 2 - Peak 11091 from cnoeabs.peaks (4.41, 4.41, 56.92 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA HIS 106 + HA HIS 106 OK 100 100 - 100 HA MET 21 + HA MET 21 OK 92 92 - 100 Peak 11092 from cnoeabs.peaks (8.15, 4.41, 56.92 ppm; 4.69 A): 1 out of 6 assignments used, quality = 1.00: * H HIS 106 + HA HIS 106 OK 100 100 - 100 - 2.9=100 H HIS 106 - HA MET 21 OK 26 94 - 27 - 7671=8, 4.0/11094=5...(10) H TRP 92 - HA HIS 106 lone 3 65 - 5 - 4553/3.0=2 H TRP 92 - HA MET 21 lone 2 56 - 4 - 7503/8532=1 H GLY 100 - HA MET 21 lone 2 64 - 3 - H GLY 100 - HA HIS 106 lone 2 73 - 2 - Peak 11093 from cnoeabs.peaks (4.41, 3.18, 30.00 ppm; 3.67 A): 1 out of 6 assignments used, quality = 1.00: * HA HIS 106 + HB2 HIS 106 OK 100 100 - 100 - 3.0=100 HA MET 21 - HB2 HIS 106 OK 19 99 - 19 - 12301=5, 11094/1.8=5...(5) HA MET 74 - HB2 HIS 106 lone 10 99 - 10 - 11094/1.8=2, 5.3/9607=1 HA VAL 32 - HB2 HIS 106 lone 3 99 - 3 - HA ALA 25 - HB2 HIS 106 lone 3 98 - 3 - HA GLN 50 - HB2 HIS 106 lone 3 94 - 3 - Peak 11094 from cnoeabs.peaks (4.41, 3.05, 30.00 ppm; 3.73 A): 1 out of 6 assignments used, quality = 1.00: * HA HIS 106 + HB3 HIS 106 OK 100 100 - 100 - 3.0=100 HA MET 21 - HB3 HIS 106 OK 19 99 - 19 - 11095=6, 11093/1.8=5...(6) HA MET 74 - HB3 HIS 106 lone 9 99 - 9 - 11093/1.8=3, 7671/4.0=1 HA ALA 25 - HB3 HIS 106 lone 3 98 - 3 - HA VAL 32 - HB3 HIS 106 lone 3 99 - 3 - HA GLN 50 - HB3 HIS 106 lone 3 94 - 3 - Peak 11095 from cnoeabs.peaks (3.05, 4.41, 56.92 ppm; 4.01 A): 1 out of 10 assignments used, quality = 1.00: * HB3 HIS 106 + HA HIS 106 OK 100 100 - 100 - 3.0=100 HB3 HIS 106 - HA MET 21 OK 21 94 - 23 - 11094=7, 1.8/11093=6...(8) HB3 HIS 105 - HA HIS 106 OK 19 90 - 21 - 4557/2.9=20 HB3 HIS 105 - HA MET 21 lone 3 80 - 4 - 4.7/11092=3 HB3 ASN 26 - HA MET 21 lone 3 74 - 3 - 3.8/6412=2 HB3 ASN 60 - HA HIS 106 lone 2 99 - 2 - HB3 ASN 26 - HA HIS 106 lone 2 84 - 2 - HB3 ASN 60 - HA MET 21 lone 1 91 - 1 - HD2 ARG 79 - HA HIS 106 lone 1 65 - 1 - HD2 ARG 79 - HA MET 21 lone 1 56 - 1 - Peak 11102 from cnoeabs.peaks (5.07, 5.19, 58.80 ppm; 4.49 A): 0 out of 1 assignment used, low quality = 0.12: HA SER 59 - HA VAL 78 OK 12 100 - 12 - 10726/3.2=4, ~9399=3...(4) Peak 11103 from cnoeabs.peaks (5.20, 1.89, 35.51 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.73: HA VAL 78 + HB VAL 54 OK 73 97 - 75 - 11101/3.9=26, 10348=25...(13) Peak 11104 from cnoeabs.peaks (1.78, 1.89, 35.51 ppm; 4.17 A): 2 out of 6 assignments used, quality = 0.79: HB VAL 78 + HB VAL 54 OK 76 100 - 76 - 3.0/11103=33, 10349=23...(13) HB3 LYS 82 + HB VAL 54 OK 14 61 - 23 - ~10654=6, ~9240=4...(7) HB3 GLU 63 - HB VAL 54 lone 10 99 - 10 - ~9239=2, ~10425=1...(4) HB2 LYS 66 - HB VAL 54 lone 5 70 - 7 - 2895/3.9=2, 4.7/2487=2 HB2 LYS 39 - HB VAL 54 lone 5 77 - 6 - ~10568=2 HG3 ARG 46 - HB VAL 54 lone 4 99 - 4 - Peak 11105 from cnoeabs.peaks (7.75, 1.89, 35.51 ppm; 6.13 A): 3 out of 3 assignments used, quality = 0.92: H VAL 78 + HB VAL 54 OK 87 100 - 88 - 3.0/11103=49...(11) H MET 74 + HB VAL 54 OK 21 99 - 21 - 11116/3.9=6...(6) H GLU 37 + HB VAL 54 OK 20 92 - 22 - ~10657=5, 11116/3.9=3...(6) Peak 11110 from cnoeabs.peaks (9.31, 0.44, 22.30 ppm; 5.65 A): 2 out of 2 assignments used, quality = 0.87: H LEU 6 + QD1 LEU 55 OK 83 100 - 83 - 8199/4.8=28, 8217/4.0=23...(12) H LYS 33 + QD1 LEU 55 OK 26 94 - 27 - 9294/4.8=8, 9288/3.1=4...(7) Peak 11111 from cnoeabs.peaks (9.19, 1.03, 42.07 ppm; 6.32 A): 2 out of 3 assignments used, quality = 1.00: H ILE 56 + HB3 LEU 55 OK 100 100 - 100 - 4.5=100 H THR 84 + HB3 LEU 55 OK 66 90 - 74 - 2536/3.0=16, 2520/1.8=15...(14) H GLU 35 - HB3 LEU 55 OK 18 77 - 23 - 2520/1.8=5, 2552/3.1=4...(6) Peak 11113 from cnoeabs.peaks (4.71, 5.39, 52.09 ppm; 5.61 A): 2 out of 2 assignments used, quality = 0.85: HA LYS 82 + HA LEU 57 OK 78 98 - 79 - 9372/3.6=33, 3.6/9773=32...(11) HA ARG 79 + HA LEU 57 OK 32 99 - 32 - 9740/11122=8, 9372/3.6=8...(8) Peak 11115 from cnoeabs.peaks (8.47, 4.61, 60.23 ppm; 4.32 A): 5 out of 5 assignments used, quality = 0.92: H VAL 32 + HA ILE 8 OK 76 99 - 77 - 10147=43, 3.9/12055=18...(10) H ILE 7 + HA ILE 8 OK 40 70 - 57 - 6086/3.0=13, ~6087=13...(12) H ALA 67 + HA ILE 8 OK 26 99 - 26 - 7084/3.6=4, 8293/3.0=3...(8) H LYS 53 + HA ILE 8 OK 17 96 - 18 - 6086/3.0=4, 4.3/284=3...(7) H VAL 54 + HA ILE 8 OK 14 77 - 18 - 8296/4.1=3, 6896/3.0=3...(8) Peak 11117 from cnoeabs.peaks (8.49, 4.67, 52.29 ppm; 3.75 A): 2 out of 6 assignments used, quality = 0.67: H ARG 79 + HA LEU 55 OK 54 98 - 55 - 11118=19, 9697/3.6=14...(10) H VAL 54 + HA LEU 55 OK 30 100 - 30 - 6901/2.9=11, ~2486=10, ~6902=9 H THR 31 - HA LEU 55 lone 7 100 - 7 - 9297/3.6=2, 6901/2.9=2 H ALA 67 - HA LEU 55 lone 6 84 - 7 - 9518/3.7=2, 6901/2.9=2 H LEU 2 - HA LEU 55 lone 5 73 - 7 - 9297/3.6=3, 4.6/8088=2 H VAL 32 - HA LEU 55 lone 3 84 - 4 - 6901/2.9=2 Peak 11120 from cnoeabs.peaks (8.90, 5.33, 59.69 ppm; 5.49 A): 2 out of 6 assignments used, quality = 0.45: H ARG 19 + HA THR 80 OK 35 100 - 35 - 10915/3.2=24, ~8510=4...(6) H VAL 5 + HA THR 80 OK 16 70 - 22 - 10915/3.2=10, 4.0/8179=8...(4) H ARG 19 - HA ILE 52 poor 6 55 - 11 - 10915/3570=3...(3) H ASP 77 - HA THR 80 lone 5 87 - 6 - 10915/3.2=3 H VAL 5 - HA ILE 52 poor 4 32 - 13 - 8160/3.6=4, 4.0/8179=4 H ASP 77 - HA ILE 52 lone 3 42 - 7 - 10897/4.1=3, 4.3/12272=1 Peak 11121 from cnoeabs.peaks (4.70, 3.68, 69.77 ppm; 4.80 A): 2 out of 2 assignments used, quality = 0.74: HA LYS 82 + HB THR 80 OK 55 99 - 55 - 9740/4.4=11, 9711/2.1=10...(13) HA ARG 79 + HB THR 80 OK 43 73 - 59 - 3.6/3564=31, ~9707=12...(9) Peak 11123 from cnoeabs.peaks (8.53, 4.70, 54.96 ppm; 4.13 A): 2 out of 3 assignments used, quality = 0.63: H VAL 58 + HA LYS 82 OK 57 73 - 77 - 9372=22, 4.0/10228=20...(15) H ASN 51 + HA LYS 82 OK 15 96 - 16 - 9770/3.0=5, 9771/3.6=2...(6) H LEU 2 - HA LYS 82 lone 4 70 - 6 - 9770/3.0=2 Peak 11126 from cnoeabs.peaks (8.51, 5.34, 59.36 ppm; 3.63 A): 6 out of 8 assignments used, quality = 0.85: H LEU 2 + HA ILE 52 OK 55 99 - 56 - 8044=19, 3.6/8004=10...(11) H ARG 79 + HA THR 80 OK 25 52 - 48 - 7297/2.9=14, 9707/3.2=10...(9) H LEU 2 + HA THR 80 OK 22 54 - 40 - 8044=11, 3.6/8004=6...(12) H VAL 54 + HA ILE 52 OK 21 77 - 28 - 4.7/6868=15, ~9162=4...(7) H ARG 79 + HA ILE 52 OK 19 98 - 19 - 4.6/7305=5, 9697/9299=2...(6) H THR 31 + HA ILE 52 OK 10 94 - 11 - 4.6/2341=2, 8737/4.1=1 H THR 31 - HA THR 80 poor 6 48 - 13 - 7297/2.9=5, 9707/3.2=3 H VAL 54 - HA THR 80 poor 4 36 - 10 - 4.7/6868=4, 9707/3.2=2 Peak 12004 from cnoeabs.peaks (2.83, 3.90, 45.00 ppm; 5.99 A): 2 out of 3 assignments used, quality = 0.74: HE2 LYS 53 + HA3 GLY 101 OK 49 95 - 52 - 12121=12, 3.0/10101=12...(9) HE3 LYS 53 + HA3 GLY 101 OK 49 94 - 52 - 12121=12, 3.0/10101=12...(9) HE2 LYS 90 - HA3 GLY 101 poor 6 54 - 11 - 3990/3.6=4, 8098/10108=2...(4) Peak 12006 from cnoeabs.peaks (3.96, 1.53, 41.20 ppm; 6.13 A): 0 out of 0 assignments used, low quality = 0.00: Peak 12008 from cnoeabs.peaks (3.96, 1.88, 41.20 ppm; 6.50 A): 0 out of 0 assignments used, low quality = 0.00: Peak 12009 from cnoeabs.peaks (6.06, 1.52, 41.20 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.99: HG SER 9 + HB2 LEU 14 OK 90 99 - 90 - 8403/3.1=48, ~10409=19...(15) HG SER 9 + HB ILE 7 OK 89 92 - 97 - ~8331=28, ~8325=27...(21) Peak 12011 from cnoeabs.peaks (2.19, 1.52, 41.20 ppm; 5.59 A): 3 out of 22 assignments used, quality = 0.96: HG3 PRO 86 + HB2 LEU 14 OK 91 98 - 93 - 9889/3.1=17, ~9883=17...(25) HB2 GLU 63 + HB2 LEU 14 OK 34 95 - 36 - 9461/3.1=7, ~10409=6...(10) HB2 GLU 63 + HB ILE 7 OK 34 87 - 39 - 10753/4.5=9, ~10746=6...(9) HB3 GLU 75 - HB2 LEU 14 OK 34 99 - 34 - 4.1/594=9, 12221=5...(8) HG3 PRO 86 - HB ILE 7 OK 30 89 - 34 - 9891/3.0=6, ~9858=5...(9) HG2 MET 1 - HB2 LEU 14 OK 21 94 - 22 - 3.3/8027=5, ~593=3...(8) HG2 GLU 43 - HB2 LEU 14 OK 21 99 - 21 - ~10607=4, ~1986=3...(8) HB3 GLU 75 - HB ILE 7 OK 13 92 - 14 - 4.1/594=4, ~9616=2, 12221=2 HG3 GLU 75 - HB2 LEU 14 OK 13 71 - 18 - 3.0/12221=4, 5.0/601=3...(6) HG2 MET 1 - HB ILE 7 OK 12 85 - 14 - 3.3/8027=4, ~8028=2...(4) HG2 GLU 75 - HB2 LEU 14 OK 11 63 - 18 - 3.0/12221=4, 5.0/601=3...(6) HB3 GLN 50 - HB2 LEU 14 poor 10 71 - 13 - ~9103=4, ~8406=2...(6) HG2 GLU 43 - HB ILE 7 lone 9 92 - 10 - ~10606=2, ~10608=2 HG2 GLU 35 - HB2 LEU 14 lone 9 97 - 9 - ~593=1 HG3 GLU 35 - HB2 LEU 14 lone 9 97 - 9 - ~593=1 HG2 GLU 35 - HB ILE 7 lone 6 88 - 7 - HG3 GLU 35 - HB ILE 7 lone 6 88 - 7 - HB2 GLU 95 - HB2 LEU 14 lone 5 78 - 6 - ~10042=2 HG3 GLU 75 - HB ILE 7 lone 4 62 - 6 - 3.0/12221=2 HG2 GLU 75 - HB ILE 7 lone 3 55 - 6 - 3.0/12221=2 HB3 GLN 50 - HB ILE 7 lone 3 62 - 5 - ~10629=1 HB2 GLU 95 - HB ILE 7 lone 3 69 - 4 - Peak 12012 from cnoeabs.peaks (1.23, 0.68, 25.60 ppm; 3.72 A): 3 out of 4 assignments used, quality = 0.81: QB ALA 18 + QD1 LEU 14 OK 66 91 - 73 - 12032=32, 12013/2.1=29...(10) QG2 THR 84 + QD1 LEU 14 OK 34 86 - 40 - 2.1/9835=10, 12013/2.1=9...(10) QB ALA 18 + QD1 LEU 42 OK 15 76 - 19 - 12032=7, 8482/2.1=2...(7) QG2 THR 84 - QD1 LEU 42 lone 6 70 - 8 - 2.1/9835=2, 4.0/9830=2 Peak 12013 from cnoeabs.peaks (1.23, 0.71, 24.40 ppm; 3.44 A): 2 out of 2 assignments used, quality = 0.74: QB ALA 18 + QD2 LEU 14 OK 68 98 - 69 - 12031=29, 12032/2.1=25...(10) QG2 THR 84 + QD2 LEU 14 OK 20 84 - 24 - 12012/2.1=8, ~9835=6...(7) Peak 12014 from cnoeabs.peaks (1.42, 0.68, 25.60 ppm; 3.39 A): 5 out of 12 assignments used, quality = 0.82: HG12 ILE 7 + QD1 LEU 14 OK 56 96 - 59 - 12015/2.1=14, 3.9/8424=5...(24) HG2 LYS 13 + QD1 LEU 14 OK 31 87 - 35 - 12015/2.1=8, 527/4.8=4...(12) HG13 ILE 76 + QD1 LEU 14 OK 18 69 - 26 - 1.8/9667=6, 12015/2.1=5...(10) HG13 ILE 76 + QD1 LEU 42 OK 18 46 - 39 - 1.8/9667=10, 3.2/10877=4...(12) HG12 ILE 7 + QD1 LEU 42 OK 11 71 - 16 - 8913/4.7=4, 4.5/6076=2...(6) QB ALA 71 - QD1 LEU 42 poor 7 61 - 12 - 8913/4.7=3, 2.9/10414=3...(5) HG2 LYS 13 - QD1 LEU 42 lone 6 61 - 9 - 8913/4.7=1, 3.0/8387=1 QB ALA 71 - QD1 LEU 14 lone 5 87 - 6 - 12015/2.1=2 QB ALA 22 - QD1 LEU 14 lone 4 72 - 6 - 12015/2.1=1 HG LEU 29 - QD1 LEU 14 lone 3 72 - 5 - QB ALA 22 - QD1 LEU 42 lone 3 49 - 6 - HG LEU 29 - QD1 LEU 42 lone 2 49 - 4 - Peak 12015 from cnoeabs.peaks (1.42, 0.71, 24.40 ppm; 3.63 A): 4 out of 6 assignments used, quality = 0.86: HG12 ILE 7 + QD2 LEU 14 OK 67 98 - 69 - 12014/2.1=13, 10273=11...(26) HG2 LYS 13 + QD2 LEU 14 OK 38 89 - 43 - 12014/2.1=7, 527/4.8=5...(16) HG13 ILE 76 + QD2 LEU 14 OK 22 71 - 32 - 4.5/9647=6, ~9667=4...(11) QB ALA 71 + QD2 LEU 14 OK 10 89 - 11 - 3.6/9558=3, 2.9/9550=2 QB ALA 22 - QD2 LEU 14 lone 5 75 - 7 - HG LEU 29 - QD2 LEU 14 lone 5 75 - 6 - 10419/8413=1 Peak 12017 from cnoeabs.peaks (3.97, 0.67, 25.60 ppm; 3.78 A): 2 out of 3 assignments used, quality = 0.96: HD3 PRO 86 + QD1 LEU 14 OK 80 95 - 84 - 3.6/8411=16, 3.0/9883=12...(29) HD2 PRO 86 + QD1 LEU 14 OK 79 94 - 84 - 3.6/8411=16, 3.0/9883=12...(29) HB3 SER 97 - QD1 LEU 14 lone 2 79 - 3 - Peak 12018 from cnoeabs.peaks (3.98, 0.71, 24.40 ppm; 4.62 A): 2 out of 4 assignments used, quality = 0.99: HD2 PRO 86 + QD2 LEU 14 OK 89 98 - 90 - 12017/2.1=19...(26) HD3 PRO 86 + QD2 LEU 14 OK 89 98 - 90 - 12017/2.1=20...(26) HA GLU 69 - QD2 LEU 14 OK 13 75 - 17 - 3.6/9542=4, ~9536=2...(5) HB3 SER 97 - QD2 LEU 14 lone 4 98 - 4 - Peak 12020 from cnoeabs.peaks (0.71, 3.26, 65.90 ppm; 3.35 A): 5 out of 9 assignments used, quality = 0.81: QD2 LEU 14 + HA ILE 15 OK 69 95 - 73 - 8413=29, 2.1/12021=14...(21) QD1 ILE 8 + HA ILE 15 OK 12 95 - 13 - 6215/3.0=3, 10272/8261=3 HG13 ILE 56 + HA ILE 15 OK 12 94 - 13 - 6215/3.0=3, ~6215=2...(4) QD1 ILE 56 + HA ILE 15 OK 11 94 - 12 - 6215/3.0=3, ~6215=2...(4) QG1 VAL 58 + HA ILE 15 OK 11 84 - 13 - 2.1/12021=4, 6215/3.0=3...(5) QG2 VAL 78 - HA ILE 15 lone 5 81 - 6 - QD2 LEU 27 - HA ILE 15 lone 3 54 - 6 - QD1 ILE 52 - HA ILE 15 lone 2 66 - 3 - QG1 VAL 5 - HA ILE 15 lone 2 66 - 3 - Peak 12021 from cnoeabs.peaks (0.68, 3.26, 65.90 ppm; 3.92 A): 4 out of 5 assignments used, quality = 0.86: QD1 LEU 14 + HA ILE 15 OK 75 94 - 79 - 2.1/8413=34, 6214/3.0=14...(21) QD1 LEU 42 + HA ILE 15 OK 20 88 - 23 - 6214/3.0=5, 12032/772=2...(8) QG2 VAL 58 + HA ILE 15 OK 19 93 - 21 - 6214/3.0=5, 2.1/12020=4...(6) QD2 LEU 6 + HA ILE 15 OK 17 91 - 18 - 6214/3.0=4, ~6211=2...(8) QD1 ILE 52 - HA ILE 15 lone 4 72 - 6 - 6214/3.0=1 Peak 12024 from cnoeabs.peaks (0.88, 1.69, 29.40 ppm; 5.16 A): 5 out of 35 assignments used, quality = 0.93: QG2 ILE 76 + HB3 ARG 91 OK 50 70 - 72 - 3429/2.8=14, ~3421=11...(24) HG13 ILE 7 + HG12 ILE 15 OK 50 62 - 80 - ~8470=32, ~8469=23...(15) QD1 LEU 2 + HG12 ILE 15 OK 49 92 - 54 - 10118/1.8=11, ~8464=5...(21) QG2 ILE 76 + HG12 ILE 15 OK 30 90 - 33 - 10118/1.8=7, 3431/3.2=3...(12) QD1 LEU 38 + HB3 ARG 91 OK 24 48 - 50 - 10168/3.0=5, ~4030=4...(29) QG2 ILE 76 - HD3 LYS 90 OK 23 74 - 30 - 9627/6.1=9, 10883/2.9=9...(6) QD1 LEU 2 - HB3 ARG 91 OK 12 72 - 17 - 10124/3.0=3, ~10125=2...(5) QD1 LEU 38 - HG12 ILE 15 poor 9 66 - 14 - 1665/4.6=2, ~8468=2...(5) QD2 LEU 64 - HB3 ARG 91 poor 9 54 - 17 - ~9962=2, 10168/3.0=2...(8) QD1 LEU 2 - HD3 LYS 90 lone 8 76 - 10 - 5.0/6019=1 QD1 LEU 103 - HD3 LYS 90 poor 7 63 - 11 - ~3973=2, ~3951=1...(4) HG13 ILE 8 - HG12 ILE 15 lone 7 82 - 9 - 10118/1.8=2 QG2 ILE 76 - HD3 LYS 47 poor 7 63 - 11 - 9654/3.9=2, ~9669=1 QG2 ILE 76 - HD2 LYS 47 poor 6 56 - 10 - 9654/3.9=2, ~9669=1 HG13 ILE 7 - HD3 LYS 90 lone 5 49 - 9 - 2.1/8471=3, 8285/3.6=1 QD2 LEU 64 - HG12 ILE 15 lone 4 73 - 6 - QD1 LEU 103 - HG12 ILE 15 lone 4 79 - 5 - QD1 LEU 38 - HD3 LYS 47 lone 3 43 - 7 - QD2 LEU 64 - HD3 LYS 47 lone 3 48 - 6 - QD1 LEU 38 - HD2 LYS 47 lone 3 38 - 7 - QD1 LEU 2 - HD3 LYS 47 lone 2 65 - 4 - QD2 LEU 64 - HD2 LYS 47 lone 2 43 - 6 - HG13 ILE 8 - HB3 ARG 91 lone 2 62 - 4 - QD1 LEU 103 - HB3 ARG 91 lone 2 59 - 4 - QD2 LEU 64 - HD3 LYS 90 lone 2 58 - 4 - 10246/5.2=1 QD1 LEU 2 - HD2 LYS 47 lone 2 57 - 4 - HG13 ILE 8 - HD3 LYS 47 lone 2 56 - 4 - HG13 ILE 8 - HD3 LYS 90 lone 2 66 - 3 - HG13 ILE 8 - HD2 LYS 47 lone 2 49 - 4 - QD1 LEU 38 - HD3 LYS 90 lone 2 52 - 3 - HG13 ILE 7 - HD3 LYS 47 lone 2 41 - 4 - HG13 ILE 7 - HB3 ARG 91 lone 1 45 - 3 - HG13 ILE 7 - HD2 LYS 47 lone 1 35 - 4 - QD1 LEU 103 - HD3 LYS 47 lone 1 53 - 2 - QD1 LEU 103 - HD2 LYS 47 lone 1 47 - 2 - Peak 12025 from cnoeabs.peaks (1.42, 1.69, 29.40 ppm; 3.45 A): 6 out of 24 assignments used, quality = 0.81: HG12 ILE 7 + HG12 ILE 15 OK 49 97 - 51 - ~8470=14, ~8469=11...(14) HG2 LYS 13 + HG12 ILE 15 OK 22 88 - 25 - 517/4.6=3, 10394/3.2=3...(9) HG LEU 29 + HG12 ILE 15 OK 17 73 - 23 - ~8469=6, 2.1/8471=4...(9) HG13 ILE 76 + HB3 ARG 91 OK 17 43 - 39 - ~4029=6, ~3453=4...(16) HG2 LYS 13 + HD3 LYS 47 OK 17 51 - 33 - 522/3.0=4, ~2172=2...(10) QB ALA 71 + HG12 ILE 15 OK 15 88 - 18 - 12176/3.2=2, 9553/1.8=2...(8) HG13 ILE 76 - HG12 ILE 15 poor 10 69 - 14 - ~10118=2, ~672=1...(7) HG LEU 29 - HD3 LYS 90 lone 6 60 - 10 - ~10499=2, 2.1/8471=1 HG13 ILE 76 - HD3 LYS 90 lone 6 57 - 10 - ~10883=2, 10285/2.9=2, ~10884=1 HG12 ILE 7 - HD3 LYS 90 lone 5 85 - 6 - 8284/3.6=1, 2.1/8471=1 QB ALA 22 - HG12 ILE 15 lone 4 73 - 6 - 8579/2.1=1 HG2 LYS 13 - HD3 LYS 90 lone 3 74 - 5 - HG2 LYS 13 - HB3 ARG 91 lone 3 58 - 5 - QB ALA 22 - HD3 LYS 90 lone 2 60 - 3 - HG13 ILE 76 - HD3 LYS 47 lone 1 38 - 4 - QB ALA 71 - HD3 LYS 90 lone 1 74 - 2 - QB ALA 71 - HB3 ARG 91 lone 1 58 - 2 - QB ALA 22 - HD3 LYS 47 lone 1 40 - 3 - QB ALA 22 - HB3 ARG 91 lone 1 46 - 2 - QB ALA 71 - HD3 LYS 47 lone 1 51 - 2 - HG12 ILE 7 - HD3 LYS 47 lone 1 60 - 1 - HG12 ILE 7 - HB3 ARG 91 lone 1 67 - 1 - HG LEU 29 - HB3 ARG 91 lone 1 46 - 1 - HG LEU 29 - HD3 LYS 47 lone 0 40 - 1 - Peak 12026 from cnoeabs.peaks (1.31, 1.94, 29.00 ppm; 5.63 A): 3 out of 3 assignments used, quality = 0.59: HB3 LEU 2 + HB2 GLU 17 OK 32 69 - 47 - ~8057=6, 4.0/6004=6...(14) HB3 LEU 42 + HB2 GLU 17 OK 28 83 - 34 - ~8916=5, ~10345=4...(12) HG LEU 3 + HB2 GLU 17 OK 15 69 - 22 - ~8099=4, ~8095=4...(8) Peak 12027 from cnoeabs.peaks (1.58, 1.94, 29.00 ppm; 4.80 A): 4 out of 12 assignments used, quality = 0.86: HG2 ARG 19 + HB2 GLU 17 OK 59 99 - 60 - 12029/1.8=10, 8503/2.9=9...(23) HG3 LYS 90 + HB2 GLU 17 OK 51 99 - 52 - ~12232=9, 12029/1.8=9...(12) HD3 LYS 94 + HB2 GLU 17 OK 17 65 - 25 - 12029/1.8=4, ~12256=3...(6) HG3 LYS 73 + HB2 GLU 17 OK 14 65 - 22 - ~12182=3, ~10183=3...(7) HG3 LYS 12 - HB2 GLU 17 lone 8 80 - 10 - ~12233=2, 12029/1.8=2, ~10436=1 HG2 LYS 24 - HB2 GLU 17 lone 7 98 - 7 - 12029/1.8=1 HG LEU 103 - HB2 GLU 17 lone 4 100 - 4 - HB3 LEU 29 - HB2 GLU 17 lone 4 73 - 6 - ~10423=2 HB2 LEU 103 - HB2 GLU 17 lone 4 99 - 4 - HG LEU 27 - HB2 GLU 17 lone 2 65 - 4 - HD3 LYS 82 - HB2 GLU 17 lone 2 80 - 2 - HB3 GLU 28 - HB2 GLU 17 lone 1 69 - 2 - Peak 12028 from cnoeabs.peaks (1.29, 2.01, 29.00 ppm; 5.61 A): 8 out of 16 assignments used, quality = 0.88: HG2 LYS 90 + HB3 GLU 17 OK 58 94 - 62 - ~12232=13, ~12027=11...(12) HB3 LEU 42 + HB3 GLU 17 OK 29 79 - 36 - 1.8/8916=6, 3.0/10340=5...(12) HB3 LEU 42 + HB2 GLU 35 OK 21 44 - 48 - 4.0/10590=9, 4.6/12303=9...(13) HG LEU 3 + HB3 GLU 17 OK 21 89 - 23 - ~8099=4, ~8095=4...(8) HG2 LYS 90 + HB2 GLU 35 OK 15 56 - 26 - 11077/1.8=4, 10310=4...(10) HG LEU 3 + HB2 GLU 35 OK 10 52 - 20 - 8117/2.9=3, 8117/2.9=3...(5) HB3 LEU 42 + HB2 GLU 44 OK 10 23 - 45 - 1.8/8916=6, 4.6/12303=6...(11) HB3 LEU 42 + HB3 GLU 44 OK 10 23 - 45 - 1.8/8916=6, 4.6/12303=6...(11) HG2 ARG 30 - HB3 GLU 17 lone 6 95 - 6 - HG LEU 3 - HB2 GLU 44 poor 5 28 - 17 - ~8089=4, ~8092=3...(4) HG LEU 3 - HB3 GLU 44 poor 5 28 - 17 - ~8089=4, ~8092=3...(4) HG2 ARG 30 - HB2 GLU 35 lone 5 57 - 8 - 10511/1.8=2 HG2 ARG 30 - HB2 GLU 44 lone 2 31 - 5 - HG2 ARG 30 - HB3 GLU 44 lone 2 31 - 5 - HG2 LYS 90 - HB3 GLU 44 lone 2 30 - 5 - HG2 LYS 90 - HB2 GLU 44 lone 2 30 - 5 - Peak 12029 from cnoeabs.peaks (1.58, 2.01, 29.00 ppm; 4.63 A): 5 out of 48 assignments used, quality = 0.79: HG2 ARG 19 + HB3 GLU 17 OK 45 93 - 49 - 12027/1.8=13, 8503/2.9=8...(16) HG3 LYS 90 + HB3 GLU 17 OK 43 94 - 46 - 12027/1.8=11, ~12232=9...(11) HD3 LYS 94 + HB3 GLU 17 OK 16 58 - 26 - 12027/1.8=4, ~12256=2...(12) HG3 LYS 73 + HB3 GLU 17 OK 12 58 - 21 - 12027/1.8=3, ~12182=3...(6) HG3 LYS 90 + HB2 GLU 35 OK 10 56 - 18 - 1.8/10310=3, 10311/1.8=2...(5) HD3 LYS 94 - HB2 GLU 35 poor 8 31 - 26 - ~4196=3, 1.8/4233=2...(11) HG3 LYS 12 - HB3 GLU 17 lone 7 73 - 10 - 12027/1.8=2, ~12233=2, ~10436=1 HG2 LYS 24 - HB3 GLU 17 lone 7 92 - 7 - 12027/1.8=2 HG LEU 103 - HB3 GLU 17 lone 4 95 - 4 - HB2 LEU 103 - HB3 GLU 17 lone 4 93 - 4 - HB3 LEU 29 - HB3 GLU 17 lone 3 66 - 4 - ~10423=1 HG LEU 103 - HB2 GLU 35 lone 2 58 - 4 - HB2 LEU 103 - HB2 GLU 35 lone 2 56 - 4 - HG LEU 27 - HB3 GLU 17 lone 2 58 - 3 - HG2 LYS 24 - HB2 GLU 35 lone 2 54 - 3 - HG3 LYS 73 - HB2 GLU 35 lone 2 31 - 5 - HD3 LYS 82 - HB3 GLU 17 lone 1 73 - 2 - HD3 LYS 94 - HB3 GLU 44 lone 1 16 - 9 - ~2000=3, ~2145=2, 4241/4.7=1 HD3 LYS 94 - HB2 GLU 44 lone 1 16 - 9 - ~2000=3, ~2145=2, 4241/4.7=1 HG2 LYS 24 - HB2 GLU 44 lone 1 29 - 4 - HG2 LYS 24 - HB3 GLU 44 lone 1 29 - 4 - HG2 ARG 19 - HB2 GLU 35 lone 1 56 - 2 - HG3 LYS 12 - HB2 GLU 35 lone 1 40 - 2 - HG3 LYS 90 - HB3 GLU 44 lone 1 30 - 3 - HG3 LYS 90 - HB2 GLU 44 lone 1 30 - 3 - HD3 LYS 82 - HB2 GLU 35 lone 1 40 - 2 - HB3 GLU 28 - HB3 GLU 17 lone 1 62 - 1 - HG LEU 27 - HB2 GLU 35 lone 1 31 - 3 - HG3 LYS 73 - HB2 GLU 44 lone 1 16 - 5 - HG3 LYS 73 - HB3 GLU 44 lone 1 16 - 5 - HG2 ARG 19 - HB3 GLU 44 lone 1 30 - 2 - HG2 ARG 19 - HB2 GLU 44 lone 1 30 - 2 - HB3 LEU 29 - HB2 GLU 35 lone 1 36 - 2 - HB3 GLU 28 - HB2 GLU 35 lone 1 33 - 2 - HG LEU 27 - HB3 GLU 44 lone 0 16 - 3 - HG LEU 27 - HB2 GLU 44 lone 0 16 - 3 - HG3 LYS 12 - HB3 GLU 44 lone 0 21 - 2 - HG3 LYS 12 - HB2 GLU 44 lone 0 21 - 2 - HG LEU 103 - HB2 GLU 44 lone 0 31 - 1 - HG LEU 103 - HB3 GLU 44 lone 0 31 - 1 - HB2 LEU 103 - HB3 GLU 44 lone 0 30 - 1 - HB2 LEU 103 - HB2 GLU 44 lone 0 30 - 1 - HD3 LYS 82 - HB3 GLU 44 lone 0 21 - 2 - HD3 LYS 82 - HB2 GLU 44 lone 0 21 - 2 - HB3 LEU 29 - HB2 GLU 44 lone 0 18 - 1 - HB3 LEU 29 - HB3 GLU 44 lone 0 18 - 1 - HB3 GLU 28 - HB2 GLU 44 lone 0 17 - 1 - HB3 GLU 28 - HB3 GLU 44 lone 0 17 - 1 - Peak 12030 from cnoeabs.peaks (1.34, 3.77, 55.00 ppm; 4.23 A): 7 out of 11 assignments used, quality = 0.86: HG LEU 14 + HA ALA 18 OK 57 82 - 70 - ~12013=21, ~12032=20...(10) QB ALA 89 + HA ALA 18 OK 35 91 - 39 - 9940/2.9=21, ~10976=7...(5) HB3 LEU 27 + HA ALA 18 OK 18 90 - 20 - 10321/10026=3...(9) QB ALA 25 + HA ALA 18 OK 12 91 - 13 - ~8496=3, 2.1/8493=2...(4) HG2 LYS 39 + HA ALA 18 OK 11 90 - 12 - ~8484=2, 8334/2.9=2...(5) HG2 LYS 94 + HA ALA 18 OK 11 91 - 12 - 10321/10026=3, 8334/2.9=2 HB3 LEU 2 + HA ALA 18 OK 10 84 - 12 - 8334/2.9=3, 12172/8260=2...(5) HG3 LYS 68 - HA ALA 18 poor 9 84 - 11 - 12321/9727=4...(3) HB2 LYS 82 - HA ALA 18 lone 7 91 - 7 - 9732/9727=2, 9722/10916=1 QB ALA 67 - HA ALA 18 lone 7 90 - 7 - 9732/9727=2, 9722/10916=1 HG3 LYS 40 - HA ALA 18 lone 1 54 - 1 - Peak 12031 from cnoeabs.peaks (0.71, 1.23, 18.00 ppm; 3.18 A): 1 out of 9 assignments used, quality = 0.64: QD2 LEU 14 + QB ALA 18 OK 64 97 - 65 - 12013=30, 2.1/12032=22...(10) QD1 ILE 8 - QB ALA 18 lone 10 98 - 10 - 10272/8278=3...(3) QG1 VAL 58 - QB ALA 18 lone 8 87 - 10 - 2.1/12032=4...(3) QD1 ILE 56 - QB ALA 18 lone 7 97 - 7 - 624/12032=1, 10272/8278=1 HG13 ILE 56 - QB ALA 18 lone 6 96 - 6 - 624/12032=1, 10272/8278=1 QD2 LEU 27 - QB ALA 18 lone 5 57 - 9 - 2.1/8482=2, 4.7/8495=1 QG1 VAL 5 - QB ALA 18 lone 4 69 - 6 - 4.0/776=1 QG2 VAL 78 - QB ALA 18 lone 4 85 - 4 - 10905/4.9=1 QD1 ILE 52 - QB ALA 18 lone 3 69 - 4 - Peak 12032 from cnoeabs.peaks (0.68, 1.23, 18.00 ppm; 2.98 A): 2 out of 5 assignments used, quality = 0.56: QD1 LEU 14 + QB ALA 18 OK 50 97 - 52 - 2.1/12013=19, 12012=14...(9) QD1 LEU 42 + QB ALA 18 OK 11 91 - 12 - 12012=3, 2.1/8482=1, 12021/772=1 QG2 VAL 58 - QB ALA 18 lone 8 96 - 8 - 2.1/12031=2, 631/12013=2 QD2 LEU 6 - QB ALA 18 lone 6 94 - 6 - QD1 ILE 52 - QB ALA 18 lone 3 76 - 4 - Peak 12033 from cnoeabs.peaks (7.45, 1.59, 27.70 ppm; 6.50 A): 2 out of 6 assignments used, quality = 0.93: HE ARG 19 + HG2 ARG 19 OK 92 92 - 100 - 3.6=100 HE ARG 46 + HG2 ARG 19 OK 10 55 - 19 - 12034/1.8=4, ~2111=2...(11) H ARG 91 - HG2 ARG 19 poor 10 55 - 17 - 6.1/12291=3, 3.6/3916=2...(6) HE22 GLN 72 - HG2 ARG 19 lone 7 78 - 9 - ~9563=3, 12034/1.8=2 H LYS 47 - HG2 ARG 19 lone 4 48 - 8 - 12034/1.8=1 HD22 ASN 26 - HG2 ARG 19 lone 3 62 - 4 - Peak 12034 from cnoeabs.peaks (7.45, 1.76, 27.70 ppm; 6.20 A): 1 out of 6 assignments used, quality = 1.00: HE ARG 19 + HG3 ARG 19 OK 100 100 - 100 - 3.6=100 HE ARG 46 - HG3 ARG 19 OK 11 65 - 17 - 12033/1.8=3, ~2111=2...(7) HE22 GLN 72 - HG3 ARG 19 lone 7 90 - 7 - ~9563=3, 12033/1.8=2 H ARG 91 - HG3 ARG 19 lone 5 65 - 7 - 12033/1.8=3 H LYS 47 - HG3 ARG 19 lone 4 57 - 6 - 12033/1.8=1 HD22 ASN 26 - HG3 ARG 19 lone 3 73 - 4 - Peak 12038 from cnoeabs.peaks (6.92, 0.81, 23.50 ppm; 5.33 A): 1 out of 1 assignment used, quality = 0.69: HE21 GLN 50 + QD2 LEU 2 OK 69 99 - 70 - 9093/2.1=24, 9094=20...(9) Peak 12039 from cnoeabs.peaks (1.46, 0.88, 24.80 ppm; 3.42 A): 4 out of 14 assignments used, quality = 0.65: HG13 ILE 52 + QD1 LEU 2 OK 45 99 - 46 - 3.8/8049=13, 12040/2.1=9...(9) HB2 LEU 38 + QD1 LEU 2 OK 14 98 - 15 - 12040/2.1=4, 3.0/10124=2 HB2 LEU 27 + QD1 LEU 2 OK 14 99 - 14 - 12040/2.1=3, 1.8/87=3...(5) HG LEU 38 + QD1 LEU 2 OK 14 99 - 14 - 12040/2.1=3, 3.7/10124=2...(4) HG3 LYS 39 - QD1 LEU 2 poor 8 60 - 14 - 1.8/87=2, 12040/2.1=2...(6) HD2 LYS 40 - QD1 LEU 2 lone 7 98 - 7 - 12040/2.1=2 HD3 LYS 40 - QD1 LEU 2 lone 7 98 - 7 - 12040/2.1=1 HG2 LYS 53 - QD1 LEU 2 lone 7 99 - 7 - 12040/2.1=2 HG3 LYS 53 - QD1 LEU 2 lone 6 94 - 7 - 12040/2.1=1 HD2 LYS 53 - QD1 LEU 2 lone 6 99 - 6 - 12040/2.1=2 HD2 LYS 82 - QD1 LEU 2 lone 6 99 - 6 - 12040/2.1=1 HG3 ARG 91 - QD1 LEU 2 lone 6 94 - 6 - 12040/2.1=1, 4.0/10124=1 HG2 LYS 12 - QD1 LEU 2 lone 5 75 - 7 - 12040/2.1=1 HG2 LYS 20 - QD1 LEU 2 lone 3 99 - 3 - Peak 12040 from cnoeabs.peaks (1.46, 0.81, 23.50 ppm; 3.37 A): 4 out of 14 assignments used, quality = 0.61: HG13 ILE 52 + QD2 LEU 2 OK 39 99 - 39 - 12039/2.1=10, ~8051=8...(9) HB2 LEU 38 + QD2 LEU 2 OK 15 98 - 16 - 12039/2.1=3, 1631=2...(6) HG LEU 38 + QD2 LEU 2 OK 13 99 - 14 - 12039/2.1=3, 1647=1...(5) HB2 LEU 27 + QD2 LEU 2 OK 13 99 - 13 - 12039/2.1=3, 1.8/79=2...(5) HG3 LYS 39 - QD2 LEU 2 poor 9 60 - 14 - 1.8/10569=3, 12039/2.1=2...(6) HG2 LYS 53 - QD2 LEU 2 lone 6 99 - 6 - 12039/2.1=1 HD2 LYS 53 - QD2 LEU 2 lone 6 99 - 6 - 12039/2.1=1 HD2 LYS 40 - QD2 LEU 2 lone 6 98 - 6 - 12039/2.1=2 HD3 LYS 40 - QD2 LEU 2 lone 6 98 - 6 - 12039/2.1=2 HD2 LYS 82 - QD2 LEU 2 lone 6 99 - 6 - 12039/2.1=1 HG3 LYS 53 - QD2 LEU 2 lone 6 94 - 6 - 12039/2.1=1 HG3 ARG 91 - QD2 LEU 2 lone 5 94 - 5 - 12039/2.1=1 HG2 LYS 12 - QD2 LEU 2 lone 5 75 - 7 - 12039/2.1=1 HG2 LYS 20 - QD2 LEU 2 lone 3 99 - 3 - Peak 12041 from cnoeabs.peaks (1.45, 2.93, 31.90 ppm; 6.36 A): 3 out of 18 assignments used, quality = 0.56: QB ALA 22 + HG2 MET 21 OK 36 39 - 91 - ~967=30, ~1000=21...(17) HG13 ILE 52 + HG2 MET 21 OK 21 51 - 42 - ~9167=10, 10641/3.0=5...(12) HG2 LYS 20 + HG2 MET 21 OK 13 51 - 26 - 6326/5.1=13, ~12044=3...(7) HG LEU 29 - HG2 MET 21 poor 9 39 - 24 - ~10445=12, ~10443=3...(6) HB2 LEU 27 - HG2 MET 21 poor 8 51 - 17 - 6326/5.1=3, ~10443=2...(7) HG3 ARG 91 - HG2 MET 21 poor 6 56 - 12 - 6326/5.1=2, ~9962=1 HG2 LYS 12 - HG2 MET 21 poor 6 56 - 11 - ~10443=2, ~10444=2 HG3 LYS 39 - HG2 MET 21 poor 6 51 - 11 - 12043/3.0=1, 12043/1.8=1 HG13 ILE 76 - HG2 MET 21 poor 5 42 - 12 - ~9664=4, 12043/3.0=1, 3442/3.9=1 HB2 LEU 38 - HG2 MET 21 lone 4 54 - 8 - 6326/5.1=1 HD2 LYS 53 - HG2 MET 21 lone 4 48 - 8 - 6326/5.1=3 HG LEU 38 - HG2 MET 21 lone 3 48 - 6 - 6326/5.1=1 HG2 LYS 53 - HG2 MET 21 lone 3 39 - 8 - 892/5.1=3 HD2 LYS 82 - HG2 MET 21 lone 2 48 - 5 - 6326/5.1=1 HG3 LYS 53 - HG2 MET 21 lone 2 28 - 7 - 6326/5.1=2 HD2 LYS 40 - HG2 MET 21 lone 2 37 - 5 - 6326/5.1=1 HD3 LYS 40 - HG2 MET 21 lone 2 35 - 5 - 6326/5.1=1 HG2 LYS 13 - HG2 MET 21 lone 1 28 - 5 - Peak 12042 from cnoeabs.peaks (1.67, 2.94, 31.90 ppm; 5.31 A): 9 out of 15 assignments used, quality = 0.87: HB ILE 52 + HG2 MET 21 OK 39 100 - 40 - ~9167=9, 3.8/6855=5...(13) HG3 LYS 20 + HG2 MET 21 OK 25 99 - 26 - 903/5.1=10, 8564/3.9=5...(7) HD3 LYS 20 + HG2 MET 21 OK 21 99 - 21 - 6329/5.1=6, 8564/3.9=4...(5) HD2 LYS 20 + HG2 MET 21 OK 21 97 - 22 - 6329/5.1=6, 8564/3.9=4...(5) HD2 LYS 73 + HG2 MET 21 OK 20 100 - 19 - 12044/1.8=2, 8564/3.9=2...(8) HD3 LYS 73 + HG2 MET 21 OK 19 99 - 19 - 12044/1.8=2, 8564/3.9=2...(8) HD2 LYS 68 + HG2 MET 21 OK 12 65 - 19 - 5.3/8545=12, 3.5/3944=3 HD3 LYS 68 + HG2 MET 21 OK 11 61 - 19 - 5.3/8545=12, 3.5/3944=3 HB3 ARG 91 + HG2 MET 21 OK 11 87 - 13 - 4034/8546=2, 4034/8546=1...(4) HD2 LYS 47 - HG2 MET 21 lone 9 92 - 9 - ~10443=1, 6329/5.1=1 HD3 LYS 47 - HG2 MET 21 lone 8 90 - 9 - ~10443=1, 6329/5.1=1 HB3 LYS 53 - HG2 MET 21 lone 5 77 - 7 - 6329/5.1=1 HB3 LYS 40 - HG2 MET 21 lone 5 84 - 6 - ~8541=1 HD2 LYS 39 - HG2 MET 21 lone 4 73 - 6 - 3.6/8556=1 HB3 ARG 79 - HG2 MET 21 lone 1 73 - 2 - Peak 12043 from cnoeabs.peaks (1.44, 2.40, 31.90 ppm; 5.17 A): 2 out of 30 assignments used, quality = 0.96: QB ALA 22 + HB3 MET 21 OK 81 94 - 86 - ~967=27, 6353/4.6=22...(16) QB ALA 22 + HG3 MET 21 OK 77 96 - 81 - ~984=21, ~967=20...(14) HG13 ILE 52 - HB3 MET 21 OK 26 63 - 41 - 3.2/9167=10, ~9167=5...(14) HG13 ILE 52 - HG3 MET 21 OK 24 65 - 38 - 3.2/9167=9, ~9167=6...(12) HG LEU 29 - HG3 MET 21 OK 16 96 - 17 - ~10445=8, ~10443=2...(5) HG2 LYS 20 - HB3 MET 21 OK 16 63 - 25 - 6326/4.0=9, ~8564=4...(8) HG LEU 29 - HB3 MET 21 OK 16 94 - 17 - 6353/4.6=9, ~8565=3...(4) HG2 LYS 20 - HG3 MET 21 OK 14 65 - 22 - 6326/5.1=7, ~12042=4...(7) HG13 ILE 76 - HB3 MET 21 OK 14 95 - 15 - ~9664=3, 6353/4.6=2...(5) HG3 LYS 39 - HB3 MET 21 OK 11 96 - 11 - 6353/4.6=2, 10326/10013=1 HG3 LYS 39 - HG3 MET 21 lone 10 98 - 10 - 10326/10013=1 HB2 LEU 27 - HB3 MET 21 poor 9 63 - 14 - ~8565=2, 6326/4.0=2...(6) HB2 LEU 27 - HG3 MET 21 poor 8 65 - 13 - 6326/5.1=2, ~10443=1...(5) HG13 ILE 76 - HG3 MET 21 lone 8 97 - 8 - ~9664=3, 3442/3.9=1 HG2 LYS 12 - HB3 MET 21 lone 8 94 - 8 - ~8565=1, 6353/4.6=1 HG2 LYS 12 - HG3 MET 21 lone 8 96 - 8 - ~10443=2, ~10444=1, 12041/1.8=1 HG3 ARG 91 - HG3 MET 21 lone 7 83 - 9 - ~12042=1, 6326/5.1=1 HG3 ARG 91 - HB3 MET 21 lone 6 80 - 8 - 6326/4.0=1, ~12042=1 HB2 LEU 38 - HG3 MET 21 lone 4 73 - 6 - HB2 LEU 38 - HB3 MET 21 lone 4 70 - 5 - HG2 LYS 13 - HG3 MET 21 lone 3 88 - 3 - HG2 LYS 13 - HB3 MET 21 lone 3 85 - 3 - HG12 ILE 7 - HB3 MET 21 lone 3 67 - 4 - 264/4.6=2 HD2 LYS 53 - HB3 MET 21 lone 3 55 - 5 - 6326/4.0=2 HD2 LYS 53 - HG3 MET 21 lone 3 58 - 5 - 6326/5.1=1 HG LEU 38 - HG3 MET 21 lone 2 58 - 4 - HG LEU 38 - HB3 MET 21 lone 2 55 - 4 - HD2 LYS 82 - HB3 MET 21 lone 2 55 - 3 - HD2 LYS 82 - HG3 MET 21 lone 2 58 - 3 - HG12 ILE 7 - HG3 MET 21 lone 2 69 - 2 - Peak 12044 from cnoeabs.peaks (1.68, 2.40, 31.90 ppm; 5.23 A): 7 out of 26 assignments used, quality = 0.93: HB ILE 52 + HB3 MET 21 OK 45 95 - 47 - 2.1/9167=12, ~9167=7...(15) HB ILE 52 + HG3 MET 21 OK 44 99 - 45 - 2.1/9167=11, ~9167=7...(14) HG3 LYS 20 + HB3 MET 21 OK 30 97 - 31 - 903/4.0=12, 8564/3.0=6...(7) HG3 LYS 20 + HG3 MET 21 OK 28 100 - 28 - 903/5.1=10, 8564/3.9=5...(7) HD2 LYS 20 + HB3 MET 21 OK 26 97 - 26 - 6327/4.0=8, 8564/3.0=5...(7) HD3 LYS 20 + HB3 MET 21 OK 25 97 - 26 - 6327/4.0=8, 8564/3.0=5...(7) HD2 LYS 20 + HG3 MET 21 OK 24 100 - 25 - 6327/5.1=6, 8564/3.9=4...(6) HD3 LYS 20 - HG3 MET 21 OK 24 100 - 24 - 6327/5.1=6, 8564/3.9=4...(6) HD2 LYS 73 - HB3 MET 21 OK 21 91 - 23 - 12042/3.0=3, 8564/3.0=2...(10) HD2 LYS 73 - HG3 MET 21 OK 21 96 - 21 - 12042/1.8=4, ~12042=3...(8) HD3 LYS 73 - HB3 MET 21 OK 20 87 - 23 - 12042/3.0=3, ~12042=2...(10) HD3 LYS 73 - HG3 MET 21 OK 20 92 - 21 - 12042/1.8=4, ~12042=3...(8) HG2 PRO 86 - HG3 MET 21 OK 17 69 - 25 - ~983=4, ~12335=4, ~966=3...(12) HG2 PRO 86 - HB3 MET 21 OK 15 64 - 23 - ~966=4, ~983=3, ~12335=3...(11) HB3 ARG 91 - HG3 MET 21 OK 11 97 - 12 - 12042/1.8=2, 4034/9949=2 HB3 ARG 91 - HB3 MET 21 poor 10 93 - 11 - 12042/3.0=2, 4034/9949=1 HD2 LYS 47 - HG3 MET 21 lone 9 99 - 9 - 12042/1.8=2, ~12042=1...(4) HD3 LYS 47 - HG3 MET 21 lone 9 98 - 9 - 12042/1.8=2, ~12042=1...(4) HG12 ILE 15 - HG3 MET 21 poor 9 65 - 13 - ~8558=2, ~8552=2...(5) HD2 LYS 47 - HB3 MET 21 lone 8 95 - 8 - 6327/4.0=1, 12042/3.0=1 HD3 LYS 47 - HB3 MET 21 lone 8 94 - 8 - 6327/4.0=1, 12042/3.0=1...(4) HG12 ILE 15 - HB3 MET 21 poor 8 61 - 12 - ~8558=2, ~8559=2...(5) HB3 LYS 40 - HG3 MET 21 lone 6 96 - 6 - ~8541=1 HB3 LYS 53 - HG3 MET 21 lone 5 92 - 6 - 6328/5.1=1 HB3 LYS 53 - HB3 MET 21 lone 5 87 - 6 - 6328/4.0=2 HB3 LYS 40 - HB3 MET 21 lone 5 91 - 5 - Peak 12046 from cnoeabs.peaks (7.47, 4.36, 54.30 ppm; 6.01 A): 1 out of 6 assignments used, quality = 0.97: HD22 ASN 26 + HA ASN 26 OK 97 97 - 100 - 4.4=100 H LYS 47 - HA ASN 26 OK 38 98 - 39 - 2.9/10478=11, 6418/3.0=9...(7) H ARG 91 - HA ASN 26 OK 26 98 - 27 - ~10481=7, 6418/3.0=5...(7) HE ARG 46 - HA ASN 26 lone 9 98 - 9 - 6418/3.0=3, 1178/3.0=1 HZ2 TRP 92 - HA ASN 26 lone 3 58 - 5 - 10925/3620=2, 14666=1 HE ARG 19 - HA ASN 26 lone 2 54 - 4 - Peak 12048 from cnoeabs.peaks (3.96, 1.60, 26.50 ppm; 6.50 A): 3 out of 3 assignments used, quality = 0.86: HB2 SER 97 + HG LEU 27 OK 74 79 - 94 - 8642/2.1=35, ~8640=20...(16) HD3 PRO 86 + HG LEU 27 OK 27 82 - 32 - 8642/2.1=8, ~8642=7...(8) HD2 PRO 86 + HG LEU 27 OK 25 79 - 32 - ~8642=7, 8642/2.1=7...(8) Peak 12049 from cnoeabs.peaks (8.50, 0.65, 26.60 ppm; 4.80 A): 4 out of 6 assignments used, quality = 0.88: H THR 31 + QD1 LEU 29 OK 58 96 - 60 - 6491/4.6=22...(9) H VAL 54 + QD1 LEU 29 OK 55 87 - 63 - 12050/2.1=12, 6897=11...(13) H ARG 79 + QD1 LEU 29 OK 24 98 - 25 - 6489/4.6=6, 12050/2.1=6...(8) H VAL 32 + QD1 LEU 29 OK 14 53 - 26 - 4.7/8725=8, 4.0/8731=6...(5) H LEU 2 - QD1 LEU 29 lone 6 89 - 7 - 12050/2.1=2, 8499/8691=1 H ALA 67 - QD1 LEU 29 lone 4 53 - 8 - 12050/2.1=1, 4.7/8671=1 Peak 12050 from cnoeabs.peaks (8.50, 0.64, 24.70 ppm; 3.87 A): 4 out of 6 assignments used, quality = 0.81: H THR 31 + QD2 LEU 29 OK 60 98 - 61 - 3.6/8683=25, 4.6/1302=15...(10) H VAL 54 + QD2 LEU 29 OK 35 90 - 38 - 6897/2.1=9, 6897=5...(11) H ARG 79 + QD2 LEU 29 OK 16 99 - 16 - 6489/4.6=4, 12049/2.1=4...(4) H VAL 32 + QD2 LEU 29 OK 13 56 - 23 - 4.0/8731=10, 4.7/8725=7...(5) H LEU 2 - QD2 LEU 29 lone 6 92 - 6 - H ALA 67 - QD2 LEU 29 lone 4 56 - 7 - 4.7/8673=2 Peak 12051 from cnoeabs.peaks (3.87, 0.46, 24.70 ppm; 4.15 A): 3 out of 11 assignments used, quality = 0.94: HA2 GLY 100 + QD1 LEU 3 OK 75 96 - 78 - 1.8/10089=25...(9) HA2 GLY 101 + QD1 LEU 3 OK 62 96 - 64 - ~10108=23, 1.8/10107=19...(10) HA LYS 40 + QD1 LEU 3 OK 38 95 - 40 - 1772/3.1=6, 12053/2.1=5...(14) HA LYS 94 - QD1 LEU 3 OK 22 96 - 23 - 4182/8092=6, 3.6/139=5...(6) HA LEU 38 - QD1 LEU 3 lone 8 97 - 8 - 12053/2.1=1 HA GLU 35 - QD1 LEU 3 lone 7 69 - 10 - 4.1/8096=2, 4.1/8096=2 HA ARG 91 - QD1 LEU 3 poor 7 65 - 10 - 3.6/8075=3, ~7435=2 HA GLU 43 - QD1 LEU 3 lone 6 83 - 8 - ~6688=2 HA ALA 67 - QD1 LEU 3 lone 6 65 - 9 - 3.0/8077=2, ~8078=1, ~8079=1 HB3 SER 49 - QD1 LEU 3 lone 3 76 - 4 - HA LYS 12 - QD1 LEU 3 lone 3 69 - 4 - Peak 12053 from cnoeabs.peaks (3.87, 0.26, 24.10 ppm; 4.56 A): 3 out of 11 assignments used, quality = 0.98: HA2 GLY 100 + QD2 LEU 3 OK 87 98 - 89 - 1.8/10090=33, 10094=28...(13) HA2 GLY 101 + QD2 LEU 3 OK 70 98 - 72 - 1.8/10108=36, ~10107=19...(9) HA LYS 40 + QD2 LEU 3 OK 48 97 - 50 - 1772/3.1=8, 3.0/8114=7...(14) HA LYS 94 - QD2 LEU 3 OK 29 98 - 29 - 4182/10081=7, 3.6/131=6...(6) HA LEU 38 - QD2 LEU 3 OK 12 99 - 12 - 8855/10136=2, 12051/2.1=1 HA ALA 67 - QD2 LEU 3 poor 9 68 - 12 - 3.0/8078=3, ~8077=2...(7) HA GLU 35 - QD2 LEU 3 poor 9 72 - 12 - 4.1/8100=2, 4.1/8100=2...(5) HA GLU 43 - QD2 LEU 3 lone 8 86 - 9 - ~6688=3, 12051/2.1=1 HA ARG 91 - QD2 LEU 3 poor 7 68 - 10 - ~7435=3, 12051/2.1=1, 3.0/8114=1 HB3 SER 49 - QD2 LEU 3 lone 4 79 - 5 - HA LYS 12 - QD2 LEU 3 lone 3 72 - 4 - Peak 12055 from cnoeabs.peaks (4.61, 1.94, 34.50 ppm; 4.29 A): 2 out of 4 assignments used, quality = 0.70: HA ILE 8 + HB VAL 32 OK 63 100 - 63 - 10147/3.9=23...(8) HB THR 34 + HB VAL 32 OK 21 77 - 27 - 10163/2.1=12, ~10337=8, ~8943=8 HA ASP 11 - HB VAL 32 lone 6 81 - 7 - 10163/2.1=2, 298/12056=1 HA HIS 105 - HB VAL 32 lone 1 69 - 2 - Peak 12056 from cnoeabs.peaks (0.79, 1.94, 34.50 ppm; 3.98 A): 5 out of 8 assignments used, quality = 0.86: QG2 ILE 8 + HB VAL 32 OK 59 99 - 60 - 3.2/12055=18, 12205=15...(10) QG2 ILE 7 + HB VAL 32 OK 33 96 - 35 - 4.0/8270=9, 3.2/1398=6...(12) QD2 LEU 57 + HB VAL 32 OK 31 99 - 31 - 2.1/1399=6, 2639/2.1=4...(12) QG2 ILE 52 + HB VAL 32 OK 13 87 - 15 - ~8946=2, 2357/3.9=2...(7) QD1 ILE 76 + HB VAL 32 OK 12 92 - 13 - 3.2/9654=2, 3.2/9659=1...(4) QD2 LEU 70 - HB VAL 32 lone 7 69 - 10 - 3.1/10338=2, 2.1/1399=2 QD2 LEU 2 - HB VAL 32 lone 3 65 - 5 - QG2 ILE 15 - HB VAL 32 lone 2 61 - 3 - Peak 12057 from cnoeabs.peaks (7.53, 3.89, 59.20 ppm; 3.87 A): 3 out of 3 assignments used, quality = 0.71: H LEU 38 + HA GLU 35 OK 48 95 - 50 - 10541/4.9=14...(16) H LEU 38 + HA GLU 43 OK 30 71 - 43 - 8941/2.9=8, 6587/3.0=6...(18) H LEU 38 + HA ARG 91 OK 21 98 - 22 - 1642/4.0=3, 8852/3.0=3...(9) Peak 12058 from cnoeabs.peaks (1.68, 2.08, 29.40 ppm; 3.45 A): 7 out of 51 assignments used, quality = 0.72: HB3 ARG 91 + HB3 GLU 35 OK 26 100 - 26 - 12146=3, ~4026=2...(11) HB3 ARG 91 + HB2 GLU 23 OK 19 69 - 28 - ~10461=5, 12145=3...(14) HG3 LYS 20 + HB2 GLU 16 OK 18 76 - 24 - 894/3.0=3, 3.7/856=3...(9) HG LEU 70 + HB3 GLU 35 OK 16 65 - 24 - 2.1/10278=6, ~9549=3...(11) HD2 LYS 20 + HB2 GLU 16 OK 14 79 - 17 - 12146=2, 5.3/856=2...(8) HD3 LYS 20 + HB2 GLU 16 OK 12 76 - 16 - 5.3/856=2, 1.8/12146=1...(8) HG12 ILE 15 + HB2 GLU 16 OK 10 61 - 17 - ~10122=4, 668/4.0=3...(7) HG2 PRO 86 - HB3 GLU 35 lone 8 87 - 10 - 3835/2.9=1, 3835/2.9=1...(4) HD2 LYS 47 - HB3 GLU 35 lone 8 100 - 8 - HD3 LYS 47 - HB3 GLU 35 lone 8 100 - 8 - HD3 LYS 90 - HB3 GLU 35 poor 8 73 - 10 - 3.6/10308=2, ~10310=1...(5) HG3 LYS 20 - HB2 GLU 23 poor 7 65 - 11 - 3.7/856=4, ~10461=1, ~10463=1 HD2 LYS 20 - HB3 GLU 35 lone 6 100 - 6 - HB3 LYS 40 - HB3 GLU 35 lone 6 100 - 6 - 3.0/1781=1 HD3 LYS 20 - HB3 GLU 35 lone 6 98 - 6 - HD2 LYS 20 - HB2 GLU 23 lone 6 69 - 9 - 5.3/856=2 HB ILE 52 - HB2 GLU 16 lone 6 68 - 9 - ~10421=1, ~10425=1 HG3 LYS 20 - HB3 GLU 35 lone 6 98 - 6 - HD3 LYS 20 - HB2 GLU 23 lone 6 65 - 9 - 5.3/856=2 HD3 LYS 47 - HB2 GLU 23 lone 5 70 - 8 - HD2 LYS 47 - HB2 GLU 23 lone 5 70 - 7 - HB ILE 52 - HB3 GLU 35 lone 4 92 - 4 - HB3 ARG 91 - HB2 GLU 16 lone 3 80 - 4 - ~10992=1 HD3 LYS 90 - HB2 GLU 23 lone 3 44 - 7 - 3.6/10308=1, 3.6/10309=1 HD3 LYS 47 - HB2 GLU 16 lone 3 80 - 4 - HD2 LYS 47 - HB2 GLU 16 lone 3 80 - 3 - HD3 LYS 90 - HB2 GLU 16 lone 3 52 - 5 - 668/4.0=1 HG12 ILE 15 - HB3 GLU 35 lone 3 84 - 3 - HD2 LYS 73 - HB3 GLU 35 lone 2 84 - 3 - HD2 LYS 24 - HB2 GLU 23 lone 2 46 - 5 - 6.3/1026=2, ~10464=1 HD3 LYS 24 - HB2 GLU 23 lone 2 44 - 5 - 6.3/1026=2, ~10464=1 HD3 LYS 73 - HB3 GLU 35 lone 2 77 - 3 - HB3 LYS 53 - HB3 GLU 35 lone 2 99 - 2 - HD2 LYS 73 - HB2 GLU 16 lone 2 61 - 4 - HD3 LYS 73 - HB2 GLU 16 lone 2 55 - 4 - HB3 LYS 53 - HB2 GLU 23 lone 2 67 - 3 - HB3 LYS 40 - HB2 GLU 23 lone 2 69 - 3 - HB3 LYS 40 - HB2 GLU 16 lone 2 79 - 2 - HB ILE 52 - HB2 GLU 23 lone 2 58 - 3 - HG2 PRO 86 - HB2 GLU 23 lone 2 54 - 3 - HG LEU 70 - HB2 GLU 16 lone 2 45 - 3 - HD2 LYS 73 - HB2 GLU 23 lone 2 52 - 3 - HD3 LYS 73 - HB2 GLU 23 lone 1 46 - 3 - HD2 LYS 24 - HB3 GLU 35 lone 1 77 - 2 - HD3 LYS 24 - HB3 GLU 35 lone 1 73 - 2 - HG12 ILE 15 - HB2 GLU 23 lone 1 52 - 2 - HD2 LYS 24 - HB2 GLU 16 lone 1 55 - 2 - HG2 PRO 86 - HB2 GLU 16 lone 1 63 - 1 - HD3 LYS 24 - HB2 GLU 16 lone 1 52 - 2 - HB3 LYS 53 - HB2 GLU 16 lone 1 77 - 1 - HG LEU 70 - HB2 GLU 23 lone 1 38 - 2 - Peak 12060 from cnoeabs.peaks (1.80, 2.20, 36.40 ppm; 4.92 A): 4 out of 14 assignments used, quality = 0.91: HB2 LYS 39 + HG3 GLU 35 OK 59 95 - 62 - 10576/1.8=10, 10576=10...(19) HB2 LYS 39 + HG2 GLU 35 OK 59 95 - 62 - 10576/1.8=10, 10576=10...(19) HB2 LEU 42 + HG3 GLU 35 OK 29 90 - 32 - 4.6/6695=6, 4.0/10591=5...(11) HB2 LEU 42 + HG2 GLU 35 OK 29 90 - 32 - 4.6/6695=6, 4.0/10591=5...(11) HB2 GLU 88 - HG2 GLU 35 OK 17 87 - 20 - 9920/4.9=4, 3875/2.9=3...(6) HB2 GLU 88 - HG3 GLU 35 OK 17 87 - 20 - 9920/4.9=4, 3875/2.9=3...(6) HB2 LYS 90 - HG2 GLU 35 OK 13 79 - 16 - 10308/2.9=3, ~10310=2...(7) HB2 LYS 90 - HG3 GLU 35 OK 13 79 - 16 - 10308/2.9=3, ~10310=2...(7) HB ILE 93 - HG2 GLU 35 lone 7 95 - 8 - 4.4/11007=3 HB ILE 93 - HG3 GLU 35 lone 7 95 - 8 - 4.4/11007=3 HB2 GLU 104 - HG2 GLU 35 lone 6 87 - 7 - HB2 GLU 104 - HG3 GLU 35 lone 6 87 - 7 - HG3 ARG 46 - HG3 GLU 35 lone 4 76 - 5 - 12087/4.1=1 HG3 ARG 46 - HG2 GLU 35 lone 4 76 - 5 - 12087/4.1=1 Peak 12061 from cnoeabs.peaks (1.80, 2.20, 36.40 ppm; 4.92 A): 4 out of 14 assignments used, quality = 0.91: HB2 LYS 39 + HG3 GLU 35 OK 59 95 - 62 - 10576/1.8=10, 10576=10...(19) HB2 LYS 39 + HG2 GLU 35 OK 59 95 - 62 - 10576/1.8=10, 10576=10...(19) HB2 LEU 42 + HG3 GLU 35 OK 29 90 - 32 - 4.6/6695=6, 4.0/10591=5...(11) HB2 LEU 42 + HG2 GLU 35 OK 29 90 - 32 - 4.6/6695=6, 4.0/10591=5...(11) HB2 GLU 88 - HG2 GLU 35 OK 17 87 - 20 - 9920/4.9=4, 3875/2.9=3...(6) HB2 GLU 88 - HG3 GLU 35 OK 17 87 - 20 - 9920/4.9=4, 3875/2.9=3...(6) HB2 LYS 90 - HG2 GLU 35 OK 13 79 - 16 - 10308/2.9=3, ~10310=2...(7) HB2 LYS 90 - HG3 GLU 35 OK 13 79 - 16 - 10308/2.9=3, ~10310=2...(7) HB ILE 93 - HG2 GLU 35 lone 7 95 - 8 - 4.4/11007=3 HB ILE 93 - HG3 GLU 35 lone 7 95 - 8 - 4.4/11007=3 HB2 GLU 104 - HG2 GLU 35 lone 6 87 - 7 - HB2 GLU 104 - HG3 GLU 35 lone 6 87 - 7 - HG3 ARG 46 - HG3 GLU 35 lone 4 76 - 5 - 12087/4.1=1 HG3 ARG 46 - HG2 GLU 35 lone 4 76 - 5 - 12087/4.1=1 Peak 12063 from cnoeabs.peaks (2.18, 1.45, 40.80 ppm; 5.39 A): 5 out of 11 assignments used, quality = 0.95: HG2 GLU 43 + HB2 LEU 38 OK 77 91 - 85 - ~1624=12, 3.0/1629=10...(26) HG3 GLU 35 + HB2 LEU 38 OK 32 65 - 51 - 2.9/1629=6, 4.1/1627=4...(26) HG2 GLU 35 + HB2 LEU 38 OK 32 65 - 51 - 2.9/1629=6, 4.1/1627=4...(26) HB3 GLN 50 + HB2 LEU 38 OK 30 99 - 31 - 12293/3.1=12, ~10626=7...(7) HB3 GLU 16 + HB2 LEU 38 OK 26 83 - 31 - 1.8/1629=3, 4.0/8473=3...(17) HB3 GLU 75 - HB2 LEU 38 OK 11 89 - 12 - 4.0/1633=6, 3388/4.6=2 HG3 GLU 75 - HB2 LEU 38 lone 9 99 - 9 - 5.0/1633=5, 3402/4.6=1 HG2 GLU 75 - HB2 LEU 38 lone 9 97 - 9 - 5.0/1633=5, 3402/4.6=1 HB2 GLU 63 - HB2 LEU 38 poor 6 61 - 10 - ~10746=1 HB2 GLN 72 - HB2 LEU 38 lone 5 76 - 6 - ~8385=1 HG3 PRO 86 - HB2 LEU 38 lone 4 69 - 5 - Peak 12065 from cnoeabs.peaks (6.83, 0.86, 23.60 ppm; 4.94 A): 2 out of 2 assignments used, quality = 0.85: HD1 TYR 41 + QD1 LEU 38 OK 62 100 - 62 - 3.7/8875=24, 8860/3.8=17...(14) HD2 TYR 41 + QD1 LEU 38 OK 61 99 - 62 - 3.7/8875=24, 8860/3.8=17...(14) Peak 12068 from cnoeabs.peaks (1.90, 0.86, 23.60 ppm; 3.76 A): 6 out of 11 assignments used, quality = 0.91: HB2 GLU 43 + QD1 LEU 38 OK 60 98 - 62 - 1.8/1661=8, 1965/3.1=7...(26) HG LEU 42 + QD1 LEU 38 OK 60 99 - 60 - 8921=31, 12069/2.1=6...(16) HB2 LYS 20 + QD1 LEU 38 OK 16 89 - 18 - 3.0/12070=2, 863/2.1=2...(8) HB3 LYS 13 + QD1 LEU 38 OK 14 80 - 18 - 3.0/8385=7, 4.0/1665=3...(6) HB2 LYS 13 + QD1 LEU 38 OK 13 73 - 18 - 3.0/8385=7, 4.0/1665=3...(7) HB ILE 8 + QD1 LEU 38 OK 10 99 - 11 - 12069/2.1=1, ~12202=1...(5) HB3 LEU 14 - QD1 LEU 38 lone 9 100 - 9 - 4.4/1665=2, 10551/3.1=1 HB2 ARG 19 - QD1 LEU 38 lone 3 95 - 3 - HB VAL 54 - QD1 LEU 38 lone 2 77 - 3 - HB3 LYS 33 - QD1 LEU 38 lone 2 77 - 2 - HB2 LYS 33 - QD1 LEU 38 lone 1 69 - 2 - Peak 12069 from cnoeabs.peaks (1.90, 0.82, 25.50 ppm; 4.22 A): 3 out of 22 assignments used, quality = 0.90: HB2 GLU 43 + QD2 LEU 38 OK 67 96 - 70 - 12068/2.1=13, 1.8/1653=8...(26) HG LEU 42 + QD2 LEU 38 OK 60 98 - 61 - 8921/2.1=31, 8920/2.1=6...(15) HB3 LEU 14 + QD1 LEU 70 OK 26 67 - 39 - 8430/3.1=6, ~9544=5...(17) HG LEU 42 - QD1 LEU 70 OK 17 65 - 26 - 1927/4.6=8, ~9544=6...(6) HB3 LYS 13 - QD2 LEU 38 OK 17 78 - 22 - ~8385=7, 4.0/1657=3...(7) HB2 LYS 20 - QD2 LEU 38 OK 17 87 - 19 - 12068/2.1=4, 863/2.1=2...(7) HB2 LYS 13 - QD2 LEU 38 OK 15 71 - 22 - ~8385=7, 4.0/1657=3...(7) HB ILE 8 - QD2 LEU 38 OK 14 97 - 15 - 12068/2.1=2, ~12202=2...(6) HB2 GLU 43 - QD1 LEU 70 OK 14 63 - 22 - ~10608=5, ~10606=3...(9) HB ILE 8 - QD1 LEU 70 OK 11 64 - 18 - 293/3.1=3, ~3168=2...(10) HB3 LEU 14 - QD2 LEU 38 OK 11 99 - 11 - 4.4/1657=2, 12068/2.1=2...(5) HB3 LYS 33 - QD2 LEU 38 lone 6 74 - 9 - 4.4/8750=4, 4.1/6518=3 HB2 LYS 33 - QD2 LEU 38 lone 6 67 - 9 - 4.4/8750=4, 4.1/6518=3 HB3 LYS 13 - QD1 LEU 70 poor 6 47 - 12 - ~10394=2, 3.0/10394=1 HB2 LYS 13 - QD1 LEU 70 poor 5 42 - 12 - ~10394=2, 3.0/10394=1 HB2 ARG 19 - QD1 LEU 70 lone 4 60 - 7 - 8514/2.1=2, ~8516=1 HB3 LYS 33 - QD1 LEU 70 lone 3 44 - 7 - 4.4/8750=1 HB2 LYS 33 - QD1 LEU 70 lone 3 39 - 7 - 4.4/8750=1 HB2 ARG 19 - QD2 LEU 38 lone 3 93 - 3 - HB VAL 54 - QD2 LEU 38 lone 2 74 - 3 - HB2 LYS 20 - QD1 LEU 70 lone 1 54 - 2 - HB VAL 54 - QD1 LEU 70 lone 1 44 - 2 - Peak 12070 from cnoeabs.peaks (1.68, 0.86, 23.60 ppm; 4.27 A): 6 out of 16 assignments used, quality = 0.92: HB3 LYS 40 + QD1 LEU 38 OK 60 98 - 61 - 3.0/1659=7, ~1781=6...(30) HB3 ARG 91 + QD1 LEU 38 OK 41 98 - 42 - ~4030=3, 2.8/1648=3...(27) HB ILE 52 + QD1 LEU 38 OK 41 96 - 42 - 3.0/1648=4, 2347/2.1=4...(23) HG3 LYS 20 + QD1 LEU 38 OK 23 99 - 23 - 3.0/12068=3, 897/2.1=2...(9) HD2 LYS 20 + QD1 LEU 38 OK 17 100 - 17 - 3.5/12068=3, 2.8/1662=2...(4) HD3 LYS 20 + QD1 LEU 38 OK 17 99 - 17 - 3.5/12068=3, 2.8/1662=2...(4) HB3 LYS 53 - QD1 LEU 38 lone 9 95 - 10 - HG12 ILE 15 - QD1 LEU 38 poor 8 73 - 11 - 4.6/1665=2, ~8468=1 HD2 LYS 47 - QD1 LEU 38 lone 6 99 - 6 - HD3 LYS 47 - QD1 LEU 38 lone 6 99 - 6 - HD2 LYS 73 - QD1 LEU 38 lone 3 91 - 3 - HD3 LYS 73 - QD1 LEU 38 lone 3 86 - 3 - HG2 PRO 86 - QD1 LEU 38 lone 2 76 - 3 - HD3 LYS 90 - QD1 LEU 38 lone 1 61 - 2 - HD2 LYS 24 - QD1 LEU 38 lone 1 65 - 2 - HD3 LYS 24 - QD1 LEU 38 lone 1 61 - 2 - Peak 12071 from cnoeabs.peaks (1.65, 0.82, 25.50 ppm; 4.20 A): 10 out of 22 assignments used, quality = 0.92: HB2 LYS 40 + QD2 LEU 38 OK 56 98 - 57 - 4.1/8862=7, ~12070=6...(27) HB2 LYS 40 + QD1 LEU 70 OK 25 65 - 39 - 4.1/8862=4, 1788/3.1=4...(20) HD2 LYS 39 + QD2 LEU 38 OK 21 98 - 21 - 6.0/6601=5, 4.9/8952=4...(5) HD3 LYS 39 + QD2 LEU 38 OK 20 92 - 22 - 6.0/6601=5, 4.9/8952=4...(6) HB3 LEU 6 + QD2 LEU 38 OK 19 99 - 19 - 10231/2.1=10...(4) HD2 LYS 39 + QD1 LEU 70 OK 17 65 - 26 - ~10821=7, ~10569=4...(9) HD3 LYS 39 + QD1 LEU 70 OK 15 58 - 26 - ~10821=7, ~10569=4...(9) HG2 LYS 68 + QD2 LEU 38 OK 14 93 - 14 - 12320/2.1=5, 3.0/10263=1 HD2 LYS 68 + QD2 LEU 38 OK 12 99 - 12 - ~12320=3, 10263=2, 1.8/10263=1 HD3 LYS 68 + QD2 LEU 38 OK 12 99 - 12 - ~12320=3, 10263=2, 1.8/10263=1 HB ILE 76 - QD1 LEU 70 poor 7 63 - 11 - 3423/2.1=2, ~3431=1 HB3 LEU 6 - QD1 LEU 70 lone 6 67 - 9 - 3.0/10230=1, ~8234=1...(4) HD3 LYS 73 - QD1 LEU 70 poor 5 44 - 12 - 5.1/12297=2, ~10854=2...(6) HD2 LYS 73 - QD1 LEU 70 poor 5 39 - 12 - 5.1/12297=2, ~10854=2...(6) HB ILE 76 - QD2 LEU 38 lone 4 96 - 4 - HD2 LYS 68 - QD1 LEU 70 lone 3 67 - 5 - HD3 LYS 68 - QD1 LEU 70 lone 3 67 - 5 - HB3 ARG 79 - QD2 LEU 38 lone 3 98 - 3 - 9699/8775=1 HG2 LYS 68 - QD1 LEU 70 lone 3 60 - 5 - HD3 LYS 73 - QD2 LEU 38 lone 2 74 - 3 - HD2 LYS 73 - QD2 LEU 38 lone 2 67 - 3 - HB3 ARG 79 - QD1 LEU 70 lone 1 65 - 2 - Peak 12072 from cnoeabs.peaks (2.01, 1.34, 25.60 ppm; 4.50 A): 4 out of 18 assignments used, quality = 0.87: QE MET 74 + HG2 LYS 39 OK 63 87 - 73 - 9609/3.9=28, 9601/3.0=16...(13) HB2 GLU 35 + HG2 LYS 39 OK 40 95 - 43 - 8951/3.9=6, ~10575=5...(15) HB3 LYS 94 + HG2 LYS 39 OK 27 79 - 34 - 3.0/4174=3, 4201=3...(16) HB3 LYS 94 + HG3 LYS 68 OK 16 33 - 49 - 3.5/4245=5, 3.5/4234=5...(21) HB3 MET 1 - HG2 LYS 39 lone 9 89 - 10 - 8951/3.9=1, ~10575=1, 4.6/6011=1 HB3 GLU 17 - HG2 LYS 39 lone 8 94 - 9 - 8951/3.9=2, 4.6/8334=1 HB3 GLU 44 - HG2 LYS 39 lone 7 84 - 9 - 3.9/8973=2, 8951/3.9=2 HB2 GLU 44 - HG2 LYS 39 lone 7 84 - 9 - 3.9/8973=2, 8951/3.9=2 QE MET 74 - HG3 LYS 68 poor 7 37 - 19 - 9609/1703=4, 9585/4.6=4...(6) HB2 GLN 50 - HG2 LYS 39 lone 6 76 - 7 - 4.5/1712=3 HB2 GLU 35 - HG3 LYS 68 lone 4 43 - 9 - 1540/4.6=2 HB2 GLU 62 - HG2 LYS 39 lone 3 93 - 3 - HB3 GLU 17 - HG3 LYS 68 lone 2 42 - 5 - HB2 GLU 44 - HG3 LYS 68 lone 2 36 - 5 - 3.9/8973=2 HB3 GLU 44 - HG3 LYS 68 lone 2 36 - 5 - 3.9/8973=2 HB3 MET 1 - HG3 LYS 68 lone 2 39 - 4 - HB2 GLU 62 - HG3 LYS 68 lone 1 42 - 4 - HB2 GLN 50 - HG3 LYS 68 lone 1 31 - 4 - Peak 12073 from cnoeabs.peaks (1.99, 1.44, 25.60 ppm; 3.79 A): 3 out of 9 assignments used, quality = 0.63: QE MET 74 + HG3 LYS 39 OK 46 83 - 55 - 9609/3.9=16, 9602=13...(11) HB2 GLU 35 + HG3 LYS 39 OK 18 61 - 30 - 2.9/10575=5, 2.9/10575=5...(13) HB2 ARG 46 + HG3 LYS 39 OK 16 80 - 20 - 2072/3.0=3, 3.0/1715=3...(8) HB3 MET 1 - HG3 LYS 39 lone 4 80 - 5 - 3.0/10575=1 QE MET 1 - HG3 LYS 39 lone 4 86 - 5 - 3.3/10575=1 HB2 GLU 37 - HG3 LYS 39 lone 4 89 - 4 - 4.6/6586=1 HB3 GLU 44 - HG3 LYS 39 lone 3 86 - 3 - HB2 GLU 44 - HG3 LYS 39 lone 3 86 - 3 - HB3 GLU 17 - HG3 LYS 39 lone 2 65 - 3 - Peak 12074 from cnoeabs.peaks (6.52, 2.29, 43.80 ppm; 6.26 A): 2 out of 2 assignments used, quality = 0.91: HE2 PHE 45 + HB2 TYR 4 OK 71 94 - 76 - ~8127=36, ~14695=29...(9) HE1 PHE 45 + HB2 TYR 4 OK 68 90 - 76 - ~8127=36, ~14695=29...(9) Peak 12076 from cnoeabs.peaks (6.51, 2.46, 43.80 ppm; 5.70 A): 2 out of 2 assignments used, quality = 0.86: HE2 PHE 45 + HB3 TYR 4 OK 62 99 - 63 - 2.5/8127=39, ~14691=17...(7) HE1 PHE 45 + HB3 TYR 4 OK 62 99 - 63 - 2.5/8127=39, ~14691=17...(7) Peak 12077 from cnoeabs.peaks (6.51, 2.46, 43.80 ppm; 5.70 A): 2 out of 2 assignments used, quality = 0.86: HE2 PHE 45 + HB3 TYR 4 OK 62 99 - 63 - 2.5/8127=39, ~14691=17...(7) HE1 PHE 45 + HB3 TYR 4 OK 62 99 - 63 - 2.5/8127=39, ~14691=17...(7) Peak 12082 from cnoeabs.peaks (1.46, 0.69, 25.60 ppm; 3.61 A): 4 out of 14 assignments used, quality = 0.92: HG13 ILE 52 + QD1 LEU 42 OK 58 99 - 59 - ~10599=14, 1.8/2364=8...(19) HG LEU 38 + QD1 LEU 42 OK 51 99 - 51 - ~8921=14, ~12068=6...(16) HB2 LEU 38 + QD1 LEU 42 OK 51 97 - 52 - ~8921=10, 12083/2.1=5...(18) HG3 LYS 39 + QD1 LEU 42 OK 27 59 - 46 - 3.9/8966=16...(12) HD2 LYS 82 - QD1 LEU 42 OK 18 99 - 18 - ~10599=3, 3.5/9757=2...(7) HD2 LYS 40 - QD1 LEU 42 OK 12 98 - 12 - 5.2/10597=2, 8964/4.0=2...(4) HD3 LYS 40 - QD1 LEU 42 OK 12 97 - 12 - 5.2/10597=2, 8964/4.0=2...(4) HB2 LEU 27 - QD1 LEU 42 OK 11 99 - 10 - 1194/2.1=2, ~1202=1 HG2 LYS 20 - QD1 LEU 42 OK 10 99 - 10 - 884/2.1=1, 12083/2.1=1...(4) HG2 LYS 53 - QD1 LEU 42 lone 8 99 - 8 - 5.0/6873=2, 12083/2.1=1 HG3 LYS 53 - QD1 LEU 42 lone 8 94 - 8 - 5.0/6873=2, 12083/2.1=1 HD2 LYS 53 - QD1 LEU 42 lone 6 99 - 6 - 5.9/6873=1 HG3 ARG 91 - QD1 LEU 42 lone 4 94 - 5 - HG2 LYS 12 - QD1 LEU 42 lone 4 75 - 5 - Peak 12083 from cnoeabs.peaks (1.46, 0.77, 21.90 ppm; 3.80 A): 4 out of 14 assignments used, quality = 0.91: HG13 ILE 52 + QD2 LEU 42 OK 57 95 - 61 - 1.8/10599=22...(18) HG LEU 38 + QD2 LEU 42 OK 50 95 - 53 - ~8921=16, 12082/2.1=7...(15) HB2 LEU 38 + QD2 LEU 42 OK 47 93 - 51 - ~8921=12, 12082/2.1=7...(16) HG3 LYS 39 + QD2 LEU 42 OK 20 54 - 37 - ~10570=9, 3.0/1945=7...(11) HD2 LYS 82 - QD2 LEU 42 OK 17 95 - 18 - 2.9/10599=6, 2.9/9762=3...(6) HB2 LEU 27 - QD2 LEU 42 OK 16 95 - 16 - 1194=3, 1.8/1202=2...(7) HD2 LYS 40 - QD2 LEU 42 OK 12 94 - 13 - 5.2/8924=2, 8964/4.0=2...(5) HG2 LYS 20 - QD2 LEU 42 OK 12 95 - 12 - 884/2.1=2, 12082/2.1=1...(4) HD3 LYS 40 - QD2 LEU 42 OK 12 93 - 12 - 5.2/8924=2, 8964/4.0=2...(5) HG2 LYS 53 - QD2 LEU 42 poor 9 95 - 10 - 5.0/6870=1, 3.9/9199=1...(4) HG3 LYS 53 - QD2 LEU 42 lone 9 88 - 10 - 5.0/6870=1, 3.9/9199=1...(4) HD2 LYS 53 - QD2 LEU 42 lone 8 95 - 8 - HG2 LYS 12 - QD2 LEU 42 lone 6 69 - 8 - 3.7/8924=2, 4.0/10392=1 HG3 ARG 91 - QD2 LEU 42 lone 5 88 - 5 - 4.8/9955=2 Peak 12084 from cnoeabs.peaks (3.31, 3.87, 59.10 ppm; 5.11 A): 2 out of 2 assignments used, quality = 0.47: HD2 ARG 46 + HA GLU 43 OK 36 65 - 56 - 10175/3.7=9, 10170=9...(13) HD2 ARG 46 + HA LYS 40 OK 17 62 - 27 - 10170=4, 3.0/10173=4...(11) Peak 12085 from cnoeabs.peaks (3.19, 3.88, 59.10 ppm; 4.84 A): 5 out of 18 assignments used, quality = 0.90: HD3 ARG 46 + HA GLU 43 OK 56 99 - 57 - 1.8/12084=16, 10171=8...(13) HD3 ARG 46 + HA ARG 91 OK 51 78 - 66 - 2121/3.0=9, 10171=8...(20) HB3 TRP 92 + HA ARG 91 OK 39 76 - 51 - 7465/3.6=26, ~10983=10...(7) HD3 ARG 46 + HA GLU 35 OK 16 80 - 19 - 3.6/2066=2, 3.6/2076=2...(8) HB3 TRP 92 + HA GLU 43 OK 13 98 - 13 - 4.5/7481=3, 4.0/7456=2 HB3 TRP 92 - HA GLU 35 poor 9 79 - 11 - 4.0/7456=2, 4.5/7481=2...(4) HD2 ARG 19 - HA GLU 43 lone 7 79 - 8 - ~12312=1, ~12311=1 HD3 ARG 19 - HA GLU 43 lone 7 79 - 8 - ~12312=1, ~12311=1 HD2 ARG 19 - HA ARG 91 lone 5 57 - 8 - ~12033=1 HD3 ARG 19 - HA ARG 91 lone 5 57 - 8 - ~12033=1 HB2 HIS 106 - HA ARG 91 lone 4 75 - 5 - 4553/3.6=1 HB2 HIS 106 - HA GLU 43 lone 4 97 - 4 - HB2 ASP 77 - HA GLU 43 lone 3 64 - 4 - ~9488=1 HB2 ASP 77 - HA ARG 91 lone 2 45 - 5 - HB2 HIS 106 - HA GLU 35 lone 2 77 - 2 - HD2 ARG 19 - HA GLU 35 lone 2 59 - 3 - HD3 ARG 19 - HA GLU 35 lone 2 59 - 3 - HB2 ASP 77 - HA GLU 35 lone 1 46 - 2 - Peak 12086 from cnoeabs.peaks (1.82, 3.88, 59.10 ppm; 3.80 A): 6 out of 27 assignments used, quality = 0.94: HB2 LEU 42 + HA GLU 43 OK 42 82 - 52 - ~6688=11, 6687/2.9=10...(17) HB2 LYS 90 + HA ARG 91 OK 41 72 - 58 - 3934/3.0=12, ~7434=10...(15) HG2 ARG 46 + HA ARG 91 OK 37 76 - 48 - 7434/3.0=6, 3.0/2076=6...(16) HG2 ARG 46 + HA GLU 43 OK 35 98 - 36 - 3.0/12084=8, 3.0/12085=5...(10) HB2 GLU 88 + HA ARG 91 OK 34 65 - 52 - ~3869=7, 3.0/10970=7...(16) HB3 LYS 90 + HA ARG 91 OK 32 57 - 57 - 7434/3.0=13, ~3934=8...(16) HB2 GLU 88 - HA GLU 35 OK 16 67 - 24 - 1.8/10306=3, 9920/3.0=3...(9) HB2 LEU 42 - HA GLU 35 OK 14 62 - 23 - 4.6/6692=4, 1917/3.6=4...(10) HB3 LEU 57 - HA ARG 91 OK 12 77 - 16 - 3.1/10698=3, 7434/3.0=2...(4) HB2 LYS 90 - HA GLU 43 OK 12 94 - 13 - 6687/2.9=2, 4.1/7441=2...(4) HG2 ARG 46 - HA GLU 35 OK 12 79 - 15 - 3.0/2066=2, 10172=2...(7) HB3 LEU 57 - HA GLU 35 OK 11 80 - 14 - 3.1/10698=3, ~8775=2...(6) HB ILE 93 - HA GLU 43 OK 11 68 - 17 - 4.4/7502=5, 6687/2.9=3...(6) HB2 LYS 90 - HA GLU 35 OK 11 74 - 15 - 4.1/7441=2, 10308/3.0=2...(4) HB2 GLU 88 - HA GLU 43 OK 11 88 - 12 - 3.0/10970=2, 6687/2.9=2 HB ILE 93 - HA ARG 91 OK 10 48 - 22 - 4.4/7502=5, 3.9/7481=4...(6) HB3 LYS 90 - HA GLU 43 poor 8 79 - 11 - 4.1/7441=2, ~6687=2, ~6688=1 HB2 LEU 42 - HA ARG 91 poor 8 60 - 13 - ~7435=2, 7433/3.0=2...(4) HB2 LYS 68 - HA GLU 43 poor 8 64 - 12 - ~3021=2, 2998/2.9=2...(6) HB3 LYS 90 - HA GLU 35 poor 7 59 - 12 - 4.1/7441=2, ~10308=1...(4) HB3 LEU 57 - HA GLU 43 lone 7 98 - 7 - 3.1/10698=1 HB ILE 93 - HA GLU 35 lone 4 50 - 9 - 4.4/7502=3, 3.9/7481=1 HB2 GLU 104 - HA ARG 91 lone 4 65 - 5 - 7433/3.0=1 HB2 GLU 104 - HA GLU 35 lone 3 67 - 5 - HB2 LYS 68 - HA ARG 91 lone 3 45 - 6 - 7434/3.0=3 HB2 GLU 104 - HA GLU 43 lone 3 88 - 3 - HB2 LYS 68 - HA GLU 35 lone 2 46 - 5 - 2998/3.6=2 Peak 12087 from cnoeabs.peaks (1.79, 3.88, 59.10 ppm; 3.74 A): 10 out of 24 assignments used, quality = 0.94: HG3 ARG 46 + HA ARG 91 OK 39 78 - 50 - 3.0/2076=6, 3.0/2066=6...(19) HG3 ARG 46 + HA GLU 43 OK 34 99 - 35 - 3.0/12084=7, 3.0/12085=5...(11) HB2 LEU 42 + HA GLU 43 OK 33 68 - 49 - ~6688=11, 6687/2.9=8...(17) HB2 LYS 39 + HA GLU 43 OK 32 94 - 34 - ~6681=11, 6687/2.9=4...(10) HB2 LYS 39 + HA GLU 35 OK 26 74 - 36 - 10560/4.9=13, 8779/3.6=4...(10) HB2 GLU 88 + HA ARG 91 OK 20 42 - 49 - 3.0/10970=7, ~3869=7...(15) HB ILE 93 + HA GLU 43 OK 14 82 - 17 - 4.4/7502=5, 6687/2.9=2...(6) HB ILE 93 + HA ARG 91 OK 12 60 - 20 - 4.4/7502=5, 3.9/7481=4...(6) HG3 ARG 46 + HA GLU 35 OK 12 80 - 14 - 3.0/2066=2, 3.0/2076=2...(6) HB2 LEU 42 + HA GLU 35 OK 11 50 - 23 - 4.6/6692=3, 8779/3.6=3...(12) HB2 GLU 88 - HA GLU 35 poor 9 43 - 22 - 1.8/10306=3, 3.0/10970=3...(7) HB2 GLU 88 - HA GLU 43 poor 6 60 - 10 - 3.0/10970=2, 1.8/10306=1 HB2 LYS 39 - HA ARG 91 lone 6 72 - 9 - HB3 GLU 63 - HA GLU 43 lone 6 85 - 7 - HB ILE 93 - HA GLU 35 lone 6 62 - 10 - 4.4/7502=3, 3.9/7481=1 HB3 GLU 63 - HA GLU 35 lone 5 65 - 8 - 2781/4.1=1, 2781/4.1=1 HB2 LEU 42 - HA ARG 91 poor 5 48 - 11 - ~7435=2, ~9955=1...(4) HB VAL 78 - HA GLU 43 lone 3 90 - 3 - HB3 GLU 63 - HA ARG 91 lone 2 63 - 4 - HB2 GLU 104 - HA GLU 35 lone 2 43 - 5 - HB2 GLU 104 - HA ARG 91 lone 2 42 - 4 - HB VAL 78 - HA ARG 91 lone 1 68 - 2 - HB2 GLU 104 - HA GLU 43 lone 1 60 - 2 - HB VAL 78 - HA GLU 35 lone 1 70 - 1 - Peak 12088 from cnoeabs.peaks (1.49, 3.92, 58.90 ppm; 4.05 A): 0 out of 0 assignments used, low quality = 0.00: Peak 12089 from cnoeabs.peaks (1.62, 3.92, 58.90 ppm; 4.28 A): 0 out of 0 assignments used, low quality = 0.00: Peak 12090 from cnoeabs.peaks (1.68, 3.92, 58.90 ppm; 3.85 A): 0 out of 0 assignments used, low quality = 0.00: Peak 12091 from cnoeabs.peaks (1.68, 3.92, 58.90 ppm; 3.85 A): 0 out of 0 assignments used, low quality = 0.00: Peak 12097 from cnoeabs.peaks (1.53, 6.14, 127.50 ppm; 6.50 A): 2 out of 10 assignments used, quality = 0.98: HG LEU 6 + HZ PHE 45 OK 93 99 - 94 - 2.1/8214=50, 2.1/8215=46...(16) HG3 ARG 30 + HZ PHE 45 OK 77 100 - 78 - 1.8/8701=49, 3.0/8707=43...(10) HB2 LEU 14 - HZ PHE 45 OK 32 95 - 33 - 3.1/9010=7, ~14683=5...(14) HB ILE 7 - HZ PHE 45 OK 20 95 - 21 - 10207/9228=4...(7) HG2 ARG 79 - HZ PHE 45 OK 20 99 - 20 - 1343/8701=4, 1361/8707=4...(8) HG3 ARG 79 - HZ PHE 45 OK 19 99 - 20 - 1343/8701=4, 1361/8707=4...(6) HG12 ILE 56 - HZ PHE 45 OK 16 100 - 16 - 229/8214=3, 221/8215=3...(5) HG LEU 2 - HZ PHE 45 lone 7 76 - 9 - 10207/9228=2...(3) HB3 LEU 103 - HZ PHE 45 lone 7 97 - 7 - HG2 LYS 33 - HZ PHE 45 lone 4 65 - 6 - 1447/7.2=2 Peak 12098 from cnoeabs.peaks (0.88, 2.98, 36.70 ppm; 5.45 A): 4 out of 6 assignments used, quality = 0.76: QG2 ILE 76 + HB2 PHE 45 OK 60 97 - 62 - 9632/3.7=16, 9632/3.7=16...(9) HG13 ILE 7 + HB2 PHE 45 OK 19 79 - 24 - 10614/4.5=4, 8258=4...(8) HG13 ILE 8 + HB2 PHE 45 OK 15 93 - 16 - 10614/4.5=4...(5) QD1 LEU 2 + HB2 PHE 45 OK 11 98 - 11 - 10614/4.5=4...(3) QD1 LEU 103 - HB2 PHE 45 lone 1 69 - 2 - QD2 LEU 64 - HB2 PHE 45 lone 1 61 - 2 - Peak 12099 from cnoeabs.peaks (0.88, 2.97, 36.70 ppm; 5.48 A): 3 out of 6 assignments used, quality = 0.73: QG2 ILE 76 + HB3 PHE 45 OK 61 97 - 63 - 9632/3.7=16, 9632/3.7=16...(9) HG13 ILE 7 + HB3 PHE 45 OK 19 79 - 24 - 8258/1.8=4, 10614/4.5=4...(8) HG13 ILE 8 + HB3 PHE 45 OK 14 93 - 15 - 10614/4.5=4, ~8994=2...(7) QD1 LEU 2 - HB3 PHE 45 lone 10 98 - 10 - 10614/4.5=4...(3) QD1 LEU 103 - HB3 PHE 45 lone 1 69 - 2 - QD2 LEU 64 - HB3 PHE 45 lone 1 61 - 2 - Peak 12104 from cnoeabs.peaks (1.52, 6.51, 129.70 ppm; 6.50 A): 4 out of 24 assignments used, quality = 1.00: HG LEU 6 + HE2 PHE 45 OK 95 98 - 97 - ~8215=45, ~8214=42...(19) HG LEU 6 + HE1 PHE 45 OK 95 98 - 97 - ~8215=45, ~8214=42...(19) HG3 ARG 30 + HE1 PHE 45 OK 71 91 - 78 - ~8701=38, ~8707=33...(7) HG3 ARG 30 + HE2 PHE 45 OK 71 91 - 78 - ~8701=38, ~8707=33...(7) HB2 LEU 14 - HE1 PHE 45 OK 39 100 - 39 - ~14685=8, 3.0/14683=6...(13) HB2 LEU 14 - HE2 PHE 45 OK 39 100 - 39 - ~14685=8, 3.0/14683=6...(13) HB ILE 7 - HE1 PHE 45 OK 14 100 - 14 - 14692/2.5=3...(7) HB ILE 7 - HE2 PHE 45 OK 14 100 - 14 - 14692/2.5=3...(7) HG2 ARG 79 - HE1 PHE 45 OK 11 80 - 14 - 14692/2.5=2, ~12097=2...(5) HG2 ARG 79 - HE2 PHE 45 OK 11 80 - 14 - 14692/2.5=2, ~12097=2...(5) HG3 ARG 79 - HE1 PHE 45 poor 10 76 - 13 - ~12097=2, 12097/2.5=2...(4) HG3 ARG 79 - HE2 PHE 45 poor 10 76 - 13 - ~12097=2, 12097/2.5=2...(4) HG12 ILE 56 - HE1 PHE 45 poor 9 89 - 10 - 14692/2.5=2, 221/8208=1 HG12 ILE 56 - HE2 PHE 45 poor 9 89 - 10 - 14692/2.5=2, 229/8212=1 HG3 LYS 33 - HE1 PHE 45 lone 7 73 - 9 - 3.9/9001=3, 1458/6.3=2 HG3 LYS 33 - HE2 PHE 45 lone 7 73 - 9 - 3.9/9001=3, 1458/6.4=2 HG LEU 2 - HE1 PHE 45 lone 6 98 - 7 - 14692/2.5=1 HG LEU 2 - HE2 PHE 45 lone 6 98 - 6 - 14692/2.5=1 HB3 LEU 103 - HE1 PHE 45 lone 5 99 - 5 - 14692/2.5=1 HB3 LEU 103 - HE2 PHE 45 lone 5 99 - 5 - 14692/2.5=1 HG3 LYS 24 - HE1 PHE 45 lone 5 86 - 5 - HG3 LYS 24 - HE2 PHE 45 lone 5 86 - 5 - HG LEU 57 - HE1 PHE 45 lone 2 61 - 3 - HG LEU 57 - HE2 PHE 45 lone 2 61 - 3 - Peak 12105 from cnoeabs.peaks (3.92, 2.97, 41.80 ppm; 4.17 A): 7 out of 25 assignments used, quality = 0.79: HA GLU 44 + HE2 LYS 47 OK 31 66 - 47 - 10615/3.8=9, 8977=6...(16) HA GLU 44 + HE3 LYS 47 OK 31 66 - 47 - 10615/3.8=9, 8977=6...(16) HA TYR 41 + HE3 LYS 47 OK 19 92 - 21 - 10615/3.8=5, 10616/3.8=4...(7) HA TYR 41 + HE2 LYS 47 OK 19 92 - 21 - 10615/3.8=5, 10616/3.8=4...(7) HB3 SER 9 + HE3 LYS 47 OK 14 93 - 15 - 10615/3.8=3, 10616/3.8=3...(6) HB3 SER 9 + HE2 LYS 47 OK 14 93 - 15 - 10615/3.8=3, 10616/3.8=3...(6) HB3 SER 9 + HE3 LYS 12 OK 11 89 - 12 - 8326/3.0=2, 8326/3.0=2...(4) HA GLU 44 - HE3 LYS 24 lone 4 46 - 8 - 8977=1 HA GLU 44 - HE2 LYS 24 lone 4 46 - 8 - 8977=1 HB3 SER 9 - HE2 LYS 24 lone 3 70 - 5 - HB3 SER 9 - HE3 LYS 24 lone 3 70 - 5 - HB2 SER 85 - HE3 LYS 12 lone 3 55 - 6 - ~10315=3, ~9875=1 HA GLU 63 - HE3 LYS 12 lone 3 86 - 3 - HA GLU 63 - HE2 LYS 47 lone 2 90 - 3 - HA GLU 63 - HE3 LYS 47 lone 2 90 - 3 - HB2 SER 85 - HE2 LYS 24 lone 2 41 - 5 - ~9875=1, 9845/7.4=1 HB2 SER 85 - HE3 LYS 24 lone 2 41 - 5 - ~9875=1, 9845/7.4=1 HA GLU 44 - HE3 LYS 12 lone 2 62 - 3 - HA TYR 41 - HE3 LYS 12 lone 2 88 - 2 - HA TYR 41 - HE3 LYS 24 lone 2 69 - 2 - HA TYR 41 - HE2 LYS 24 lone 2 69 - 2 - HB2 SER 85 - HE3 LYS 47 lone 1 58 - 2 - HB2 SER 85 - HE2 LYS 47 lone 1 58 - 2 - HA GLU 63 - HE2 LYS 24 lone 1 68 - 1 - HA GLU 63 - HE3 LYS 24 lone 1 68 - 1 - Peak 12106 from cnoeabs.peaks (3.92, 2.97, 41.80 ppm; 4.17 A): 7 out of 25 assignments used, quality = 0.79: HA GLU 44 + HE2 LYS 47 OK 31 66 - 47 - 10615/3.8=9, 8977=6...(16) HA GLU 44 + HE3 LYS 47 OK 31 66 - 47 - 10615/3.8=9, 8977=6...(16) HA TYR 41 + HE3 LYS 47 OK 19 92 - 21 - 10615/3.8=5, 10616/3.8=4...(7) HA TYR 41 + HE2 LYS 47 OK 19 92 - 21 - 10615/3.8=5, 10616/3.8=4...(7) HB3 SER 9 + HE3 LYS 47 OK 14 93 - 15 - 10615/3.8=3, 10616/3.8=3...(6) HB3 SER 9 + HE2 LYS 47 OK 14 93 - 15 - 10615/3.8=3, 10616/3.8=3...(6) HB3 SER 9 + HE3 LYS 12 OK 11 89 - 12 - 8326/3.0=2, 8326/3.0=2...(4) HA GLU 44 - HE3 LYS 24 lone 4 46 - 8 - 8977=1 HA GLU 44 - HE2 LYS 24 lone 4 46 - 8 - 8977=1 HB3 SER 9 - HE2 LYS 24 lone 3 70 - 5 - HB3 SER 9 - HE3 LYS 24 lone 3 70 - 5 - HB2 SER 85 - HE3 LYS 12 lone 3 55 - 6 - ~10315=3, ~9875=1 HA GLU 63 - HE3 LYS 12 lone 3 86 - 3 - HA GLU 63 - HE2 LYS 47 lone 2 90 - 3 - HA GLU 63 - HE3 LYS 47 lone 2 90 - 3 - HB2 SER 85 - HE2 LYS 24 lone 2 41 - 5 - ~9875=1, 9845/7.4=1 HB2 SER 85 - HE3 LYS 24 lone 2 41 - 5 - ~9875=1, 9845/7.4=1 HA GLU 44 - HE3 LYS 12 lone 2 62 - 3 - HA TYR 41 - HE3 LYS 12 lone 2 88 - 2 - HA TYR 41 - HE3 LYS 24 lone 2 69 - 2 - HA TYR 41 - HE2 LYS 24 lone 2 69 - 2 - HB2 SER 85 - HE3 LYS 47 lone 1 58 - 2 - HB2 SER 85 - HE2 LYS 47 lone 1 58 - 2 - HA GLU 63 - HE2 LYS 24 lone 1 68 - 1 - HA GLU 63 - HE3 LYS 24 lone 1 68 - 1 - Peak 12107 from cnoeabs.peaks (8.63, 0.73, 20.80 ppm; 4.97 A): 3 out of 4 assignments used, quality = 0.82: H LEU 55 + QG1 VAL 5 OK 76 82 - 92 - 9295/3.2=37...(14) H ASN 10 + QG1 VAL 5 OK 16 66 - 24 - 12108/2.1=7, 8164/3.2=7...(6) H LEU 55 + QG2 VAL 78 OK 12 34 - 35 - 6901/4.3=7, 2.9/8180=6...(13) H ASN 10 - QG2 VAL 78 lone 1 26 - 5 - Peak 12108 from cnoeabs.peaks (8.63, 0.95, 22.20 ppm; 4.54 A): 2 out of 2 assignments used, quality = 0.90: H LEU 55 + QG2 VAL 5 OK 87 97 - 90 - 9295/3.2=39, 3.9/8198=29...(14) H ASN 10 + QG2 VAL 5 OK 19 86 - 21 - 8164/3.2=6, 12107/2.1=5...(6) Peak 12109 from cnoeabs.peaks (4.24, 0.78, 17.80 ppm; 5.96 A): 2 out of 6 assignments used, quality = 0.95: HA SER 49 + QG2 ILE 52 OK 92 100 - 93 - 10646/2.1=30...(21) HB THR 31 + QG2 ILE 52 OK 30 100 - 30 - 10646/2.1=7, 9172/3.1=6...(9) HB THR 31 - QG2 ILE 8 OK 24 48 - 51 - 8337/4.1=23, ~8734=14...(8) HA SER 49 - QG2 ILE 8 OK 20 47 - 42 - 2.9/9047=7, ~9046=6...(14) HA ASP 87 - QG2 ILE 52 lone 5 65 - 7 - ~9900=3 HA ASP 87 - QG2 ILE 8 lone 1 25 - 5 - 8337/4.1=2 Peak 12114 from cnoeabs.peaks (1.98, 1.46, 29.40 ppm; 4.77 A): 3 out of 7 assignments used, quality = 0.89: QE MET 1 + HD2 LYS 53 OK 72 99 - 73 - 8029/3.0=20, 8029/3.0=19...(12) HB2 ARG 46 + HD2 LYS 53 OK 52 97 - 53 - 12115/1.8=11, 3.0/2439=6...(18) HB2 GLU 37 + HD2 LYS 53 OK 15 99 - 15 - 12115/1.8=3, 3.0/8847=2...(6) HB2 LYS 47 - HD2 LYS 53 lone 6 86 - 7 - 12115/1.8=1 HB2 LYS 24 - HD2 LYS 53 lone 5 65 - 8 - 12115/1.8=1 HB3 LYS 24 - HD2 LYS 53 lone 5 65 - 8 - 12115/1.8=1 HB3 MET 74 - HD2 LYS 53 lone 3 65 - 4 - Peak 12115 from cnoeabs.peaks (1.98, 1.55, 29.40 ppm; 5.25 A): 3 out of 7 assignments used, quality = 0.86: QE MET 1 + HD3 LYS 53 OK 68 98 - 69 - 8029/3.0=22, 8029/3.0=21...(11) HB2 ARG 46 + HD3 LYS 53 OK 51 96 - 53 - 12114/1.8=15, 3.0/2450=6...(16) HB2 GLU 37 + HD3 LYS 53 OK 14 99 - 14 - 12114/1.8=4, 12116/3.0=1...(6) HB2 LYS 47 - HD3 LYS 53 lone 6 85 - 7 - 12114/1.8=2 HB2 LYS 24 - HD3 LYS 53 lone 6 63 - 8 - 12114/1.8=2, ~12114=1 HB3 LYS 24 - HD3 LYS 53 lone 6 63 - 8 - 12114/1.8=2, ~12114=1 HB3 MET 74 - HD3 LYS 53 lone 2 63 - 4 - Peak 12116 from cnoeabs.peaks (1.98, 2.83, 41.80 ppm; 3.67 A): 4 out of 14 assignments used, quality = 0.88: QE MET 1 + HE2 LYS 53 OK 55 99 - 55 - 8029=22, 8029/1.8=17...(9) QE MET 1 + HE3 LYS 53 OK 53 97 - 55 - 8029=21, 8029/1.8=18...(9) HB2 ARG 46 + HE2 LYS 53 OK 25 98 - 26 - 12114/3.0=6, 12115/3.0=5...(13) HB2 ARG 46 + HE3 LYS 53 OK 24 95 - 26 - 12114/3.0=6, 12115/3.0=5...(13) HB2 GLU 37 - HE2 LYS 53 lone 5 100 - 5 - 12114/3.0=2, 12115/3.0=1 HB2 GLU 37 - HE3 LYS 53 lone 5 97 - 5 - 12114/3.0=2, 12115/3.0=1 HB2 LYS 47 - HE2 LYS 53 lone 2 87 - 3 - HB2 LYS 24 - HE2 LYS 53 lone 2 65 - 3 - HB3 LYS 24 - HE2 LYS 53 lone 2 65 - 3 - HB2 LYS 47 - HE3 LYS 53 lone 2 83 - 3 - HB3 LYS 24 - HE3 LYS 53 lone 2 61 - 3 - HB2 LYS 24 - HE3 LYS 53 lone 2 61 - 3 - HB3 MET 74 - HE2 LYS 53 lone 1 65 - 1 - HB3 MET 74 - HE3 LYS 53 lone 1 61 - 1 - Peak 12117 from cnoeabs.peaks (1.98, 2.83, 41.80 ppm; 3.67 A): 4 out of 14 assignments used, quality = 0.88: QE MET 1 + HE2 LYS 53 OK 55 99 - 55 - 8029=22, 8029/1.8=17...(9) QE MET 1 + HE3 LYS 53 OK 53 97 - 55 - 8029=21, 8029/1.8=18...(9) HB2 ARG 46 + HE2 LYS 53 OK 25 98 - 26 - 12114/3.0=6, 12115/3.0=5...(13) HB2 ARG 46 + HE3 LYS 53 OK 24 95 - 26 - 12114/3.0=6, 12115/3.0=5...(13) HB2 GLU 37 - HE2 LYS 53 lone 5 100 - 5 - 12114/3.0=2, 12115/3.0=1 HB2 GLU 37 - HE3 LYS 53 lone 5 97 - 5 - 12114/3.0=2, 12115/3.0=1 HB2 LYS 47 - HE2 LYS 53 lone 2 87 - 3 - HB2 LYS 24 - HE2 LYS 53 lone 2 65 - 3 - HB3 LYS 24 - HE2 LYS 53 lone 2 65 - 3 - HB2 LYS 47 - HE3 LYS 53 lone 2 83 - 3 - HB3 LYS 24 - HE3 LYS 53 lone 2 61 - 3 - HB2 LYS 24 - HE3 LYS 53 lone 2 61 - 3 - HB3 MET 74 - HE2 LYS 53 lone 1 65 - 1 - HB3 MET 74 - HE3 LYS 53 lone 1 61 - 1 - Peak 12119 from cnoeabs.peaks (3.89, 2.83, 41.80 ppm; 6.03 A): 4 out of 16 assignments used, quality = 0.93: HA3 GLY 101 + HE2 LYS 53 OK 64 100 - 64 - 12004=23, 12004/1.8=19...(9) HA3 GLY 101 + HE3 LYS 53 OK 62 98 - 64 - 12004=22, 12004/1.8=19...(9) HA ARG 91 + HE2 LYS 53 OK 31 100 - 31 - 6.0/9216=7, ~2440=3...(12) HA ARG 91 + HE3 LYS 53 OK 30 97 - 31 - 6.0/9216=6, ~2440=3...(12) HB2 SER 102 - HE2 LYS 53 lone 7 100 - 7 - ~10114=2, 10110/9197=1 HA ALA 89 - HE2 LYS 53 lone 6 92 - 7 - 3.6/7423=3 HB2 SER 102 - HE3 LYS 53 lone 6 97 - 7 - ~10114=2, 10110/9197=1 HA LEU 38 - HE2 LYS 53 lone 6 70 - 8 - HA LEU 38 - HE3 LYS 53 lone 5 65 - 8 - HA GLU 35 - HE2 LYS 53 lone 4 99 - 4 - HA GLU 35 - HE3 LYS 53 lone 4 97 - 4 - HA ALA 89 - HE3 LYS 53 lone 4 88 - 4 - HA GLU 43 - HE2 LYS 53 lone 4 96 - 4 - HA GLU 43 - HE3 LYS 53 lone 3 92 - 4 - HB2 SER 85 - HE2 LYS 53 lone 3 87 - 3 - HB2 SER 85 - HE3 LYS 53 lone 3 83 - 3 - Peak 12121 from cnoeabs.peaks (3.89, 2.83, 41.80 ppm; 6.03 A): 4 out of 16 assignments used, quality = 0.93: HA3 GLY 101 + HE2 LYS 53 OK 64 100 - 64 - 12004=23, 12004/1.8=19...(9) HA3 GLY 101 + HE3 LYS 53 OK 62 98 - 64 - 12004=22, 12004/1.8=19...(9) HA ARG 91 + HE2 LYS 53 OK 31 100 - 31 - 6.0/9216=7, ~2440=3...(12) HA ARG 91 + HE3 LYS 53 OK 30 97 - 31 - 6.0/9216=6, ~2440=3...(12) HB2 SER 102 - HE2 LYS 53 lone 7 100 - 7 - ~10114=2, 10110/9197=1 HA ALA 89 - HE2 LYS 53 lone 6 92 - 7 - 3.6/7423=3 HB2 SER 102 - HE3 LYS 53 lone 6 97 - 7 - ~10114=2, 10110/9197=1 HA LEU 38 - HE2 LYS 53 lone 6 70 - 8 - HA LEU 38 - HE3 LYS 53 lone 5 65 - 8 - HA GLU 35 - HE2 LYS 53 lone 4 99 - 4 - HA GLU 35 - HE3 LYS 53 lone 4 97 - 4 - HA ALA 89 - HE3 LYS 53 lone 4 88 - 4 - HA GLU 43 - HE2 LYS 53 lone 4 96 - 4 - HA GLU 43 - HE3 LYS 53 lone 3 92 - 4 - HB2 SER 85 - HE2 LYS 53 lone 3 87 - 3 - HB2 SER 85 - HE3 LYS 53 lone 3 83 - 3 - Peak 12122 from cnoeabs.peaks (3.21, 1.46, 25.00 ppm; 4.61 A): 4 out of 9 assignments used, quality = 0.76: HB2 ASP 77 + HG2 LYS 53 OK 47 98 - 49 - 10892/3.0=17...(10) HB2 ASP 77 + HG3 LYS 53 OK 35 73 - 48 - 10892/3.0=17, ~12123=7...(10) HD3 ARG 46 + HG2 LYS 53 OK 21 65 - 32 - 3.0/10178=5, 3.0/10177=5...(12) HD3 ARG 46 + HG3 LYS 53 OK 13 44 - 31 - 3.0/10178=5, 3.0/10177=4...(12) HB2 ASP 77 - HG2 LYS 20 lone 8 95 - 9 - 10893/1.8=2, 1.8/12123=1 HB3 TRP 92 - HG2 LYS 53 lone 3 73 - 3 - 4.0/7460=1 HD3 ARG 46 - HG2 LYS 20 lone 2 62 - 4 - HB3 TRP 92 - HG2 LYS 20 lone 2 69 - 3 - 4.0/7460=2 HB3 TRP 92 - HG3 LYS 53 lone 1 49 - 3 - Peak 12123 from cnoeabs.peaks (2.63, 1.46, 25.00 ppm; 5.55 A): 5 out of 12 assignments used, quality = 0.92: HB3 ASP 77 + HG2 LYS 53 OK 71 96 - 74 - 9678/3.9=28, ~10892=18...(13) HB3 ASP 77 + HG3 LYS 53 OK 51 70 - 73 - 9678/3.9=28, ~10892=18...(13) HB3 ASP 65 + HG2 LYS 53 OK 26 85 - 30 - 9678/3.9=10, ~2856=4...(10) HB3 ASP 65 + HG3 LYS 53 OK 17 60 - 28 - 9678/3.9=10, ~2856=4...(8) HB3 ASP 77 + HG2 LYS 20 OK 10 93 - 11 - 1.8/12122=3, ~10893=2 HB3 TYR 41 - HG2 LYS 20 lone 7 89 - 8 - 4.0/6650=2, ~10588=1 HG3 MET 74 - HG2 LYS 20 lone 7 90 - 8 - 10863/3.7=1 HB3 ASP 65 - HG2 LYS 20 lone 7 82 - 8 - 4.6/882=3, 2869/4.9=1 HB3 TYR 41 - HG2 LYS 53 lone 6 92 - 6 - 4.0/6651=1 HG3 MET 74 - HG2 LYS 53 lone 5 94 - 6 - HB3 TYR 41 - HG3 LYS 53 lone 4 66 - 6 - 4.0/6651=1 HG3 MET 74 - HG3 LYS 53 lone 4 68 - 5 - Peak 12124 from cnoeabs.peaks (3.21, 1.47, 25.00 ppm; 4.67 A): 4 out of 6 assignments used, quality = 0.78: HB2 ASP 77 + HG3 LYS 53 OK 49 99 - 49 - 10892/3.0=18, ~12123=8...(10) HB2 ASP 77 + HG2 LYS 53 OK 38 80 - 48 - 10892/3.0=18, ~12125=7...(10) HD3 ARG 46 + HG3 LYS 53 OK 19 68 - 29 - 3.0/10178=5, ~10178=4...(10) HD3 ARG 46 + HG2 LYS 53 OK 14 49 - 29 - 3.0/10178=5, ~10178=4...(12) HB3 TRP 92 - HG3 LYS 53 lone 2 75 - 3 - HB3 TRP 92 - HG2 LYS 53 lone 2 55 - 3 - Peak 12125 from cnoeabs.peaks (2.63, 1.47, 25.00 ppm; 6.27 A): 3 out of 8 assignments used, quality = 0.94: HB3 ASP 77 + HG3 LYS 53 OK 77 98 - 79 - 9678/3.9=32, ~10892=23...(13) HB3 ASP 77 + HG2 LYS 53 OK 60 78 - 78 - 9678/3.9=32, ~10892=23...(13) HB3 ASP 65 + HG3 LYS 53 OK 30 88 - 34 - 9678/3.9=11, ~2856=5...(11) HB3 ASP 65 - HG2 LYS 53 OK 22 66 - 33 - 9678/3.9=11, ~2856=5...(11) HB3 TYR 41 - HG3 LYS 53 lone 7 94 - 7 - 4.0/6651=1 HG3 MET 74 - HG3 LYS 53 lone 7 96 - 7 - HG3 MET 74 - HG2 LYS 53 lone 5 75 - 7 - HB3 TYR 41 - HG2 LYS 53 lone 5 73 - 7 - 4.0/6651=1 Peak 12126 from cnoeabs.peaks (0.71, 1.89, 35.50 ppm; 3.09 A): 4 out of 9 assignments used, quality = 0.62: QG2 VAL 78 + HB VAL 54 OK 35 78 - 45 - 3.2/11103=14...(12) QD1 ILE 8 + HB VAL 54 OK 17 92 - 19 - ~11070=3, 2.1/9233=3...(6) QD1 ILE 52 + HB VAL 54 OK 17 62 - 27 - ~10654=7, ~9240=6...(9) QG1 VAL 5 + HB VAL 54 OK 15 62 - 24 - ~12127=7, ~12128=7...(6) QD2 LEU 14 - HB VAL 54 poor 9 91 - 10 - QD1 ILE 56 - HB VAL 54 lone 7 91 - 8 - ~10209=1, ~10207=1 HG13 ILE 56 - HB VAL 54 lone 7 90 - 8 - ~10209=2, ~10207=1 QG1 VAL 58 - HB VAL 54 lone 6 80 - 8 - 10224=2 QD2 LEU 27 - HB VAL 54 lone 3 51 - 6 - Peak 12127 from cnoeabs.peaks (5.11, 0.76, 21.40 ppm; 4.01 A): 2 out of 2 assignments used, quality = 0.70: HA VAL 5 + QG1 VAL 54 OK 66 99 - 66 - 12128/2.1=26...(12) HA LEU 3 + QG1 VAL 54 OK 14 65 - 22 - 3.6/8133=6, 12128/2.1=6...(4) Peak 12128 from cnoeabs.peaks (5.11, 0.65, 22.10 ppm; 4.33 A): 2 out of 2 assignments used, quality = 0.71: HA VAL 5 + QG2 VAL 54 OK 65 94 - 70 - 12127/2.1=33...(9) HA LEU 3 + QG2 VAL 54 OK 16 58 - 27 - 3.6/8134=16, 12127/2.1=7 Peak 12131 from cnoeabs.peaks (0.93, 5.39, 52.10 ppm; 4.28 A): 2 out of 2 assignments used, quality = 0.62: HB2 ARG 81 + HA LEU 57 OK 49 95 - 51 - 4.0/11122=23...(7) QG2 VAL 5 + HA LEU 57 OK 27 62 - 43 - 4.0/2601=8, ~167=6...(14) Peak 12132 from cnoeabs.peaks (1.06, 5.39, 52.10 ppm; 4.98 A): 2 out of 4 assignments used, quality = 0.85: HB3 ARG 81 + HA LEU 57 OK 71 95 - 74 - 1.8/12131=30...(9) HG2 LYS 82 + HA LEU 57 OK 48 95 - 50 - 10927/3.6=17...(10) HG12 ILE 52 - HA LEU 57 poor 6 58 - 11 - 7316/9334=2...(3) HG2 ARG 91 - HA LEU 57 lone 3 58 - 6 - ~2621=1, 2.8/2605=1, ~2613=1 Peak 12133 from cnoeabs.peaks (0.89, 1.82, 42.40 ppm; 4.74 A): 3 out of 5 assignments used, quality = 0.97: HG13 ILE 7 + HB3 LEU 57 OK 86 94 - 91 - 8281/1.8=26...(20) QD1 LEU 2 + HB3 LEU 57 OK 62 88 - 71 - ~8048=24, 3.1/12135=7...(29) HG13 ILE 8 + HB3 LEU 57 OK 50 94 - 53 - 4.6/8289=15, 2.1/10691=5...(19) QG2 ILE 76 - HB3 LEU 57 OK 28 90 - 31 - 3.2/12134=4, 3.2/10283=4...(11) QG1 VAL 32 - HB3 LEU 57 OK 24 62 - 38 - 2.1/2623=6, ~2615=5...(12) Peak 12134 from cnoeabs.peaks (1.42, 1.82, 42.40 ppm; 4.61 A): 3 out of 6 assignments used, quality = 0.89: HG12 ILE 7 + HB3 LEU 57 OK 84 93 - 90 - 8284=22, 2.1/9355=21...(22) HG13 ILE 76 + HB3 LEU 57 OK 18 65 - 28 - 2.1/10283=4, 3.2/12133=3...(14) HG2 LYS 13 + HB3 LEU 57 OK 13 84 - 15 - 1.8/2621=2, 10394/3.1=2...(6) HG LEU 29 - HB3 LEU 57 poor 7 69 - 11 - ~8672=1, 237/8272=1, ~10501=1 QB ALA 22 - HB3 LEU 57 lone 6 69 - 8 - ~8569=2 QB ALA 71 - HB3 LEU 57 lone 5 84 - 5 - Peak 12135 from cnoeabs.peaks (1.34, 1.82, 42.40 ppm; 5.26 A): 4 out of 11 assignments used, quality = 0.93: HB3 LEU 2 + HB3 LEU 57 OK 64 88 - 73 - ~8048=23, 3.1/12133=9...(29) QB ALA 89 + HB3 LEU 57 OK 60 95 - 63 - ~9929=16, ~10697=14...(12) HG LEU 14 + HB3 LEU 57 OK 32 86 - 38 - 2.1/10691=4, ~10690=3...(13) HB2 LYS 82 + HB3 LEU 57 OK 27 95 - 28 - ~11113=14, ~12132=8, 9818/9356=1 QB ALA 67 - HB3 LEU 57 OK 25 93 - 26 - 9526/3.1=6, ~9519=5...(8) HG3 LYS 68 - HB3 LEU 57 OK 23 88 - 26 - ~10263=3, ~2612=2...(10) HG2 LYS 39 - HB3 LEU 57 OK 12 93 - 12 - 10569/3.1=2, ~8956=1 HG2 LYS 94 - HB3 LEU 57 lone 6 95 - 6 - QB ALA 25 - HB3 LEU 57 lone 6 95 - 6 - HB3 LEU 27 - HB3 LEU 57 lone 5 94 - 6 - HG3 LYS 40 - HB3 LEU 57 lone 2 58 - 3 - Peak 12145 from cnoeabs.peaks (2.08, 1.68, 29.30 ppm; 3.82 A): 6 out of 60 assignments used, quality = 0.92: HB3 GLU 88 + HB3 ARG 91 OK 54 99 - 55 - ~4024=10, ~3870=9...(14) HB3 LEU 38 + HB3 ARG 91 OK 37 94 - 39 - 3.1/12070=4, ~4030=3...(22) HB2 GLU 23 + HB3 ARG 91 OK 36 97 - 37 - ~10461=6, 10462/2.8=4...(17) HB3 GLU 35 + HB3 ARG 91 OK 34 99 - 34 - 12058=5, ~4026=3...(17) HB2 GLU 16 + HD2 LYS 20 OK 23 93 - 25 - 12058=3, 12058/2.8=2...(11) HB2 GLU 16 + HD3 LYS 20 OK 19 80 - 24 - 12058=2, 12058/2.8=2...(10) HB3 GLU 43 - HB3 ARG 91 OK 19 71 - 26 - 12312/3.9=2, ~4026=2...(10) HB3 LEU 38 - HD2 LYS 20 OK 13 89 - 15 - 10546/3.5=2, 3.1/12070=2...(5) HB2 GLU 23 - HD2 LYS 20 OK 13 92 - 14 - 1019/5.3=4, 10462/2.8=2...(4) HB3 LEU 38 - HD3 LYS 20 OK 11 76 - 15 - 10546/3.5=2, 3.1/12070=2...(5) HB3 GLU 35 - HD2 LYS 47 OK 11 100 - 11 - 12058=1, 12058/1.8=1 HB2 GLU 23 - HD3 LYS 20 OK 11 79 - 14 - 1019/5.3=4, 10462/2.8=2...(4) HB3 GLU 35 - HD3 LYS 47 OK 11 100 - 11 - 12058=1, 12058/1.8=1 HB3 GLU 88 - HD3 LYS 47 OK 11 100 - 11 - 3.0/4034=3, ~4034=2...(4) HB3 GLU 88 - HD2 LYS 47 OK 11 100 - 11 - 3.0/4034=3, ~4034=2...(4) HB2 GLU 23 - HD2 LYS 47 poor 10 98 - 10 - 12058=1 HB2 GLU 23 - HD3 LYS 47 poor 10 98 - 10 - 12058=1 HB3 GLU 43 - HD2 LYS 47 poor 10 73 - 13 - 4.4/8972=2, 12312/6.3=1 HB3 GLU 43 - HD3 LYS 47 poor 10 73 - 13 - 4.4/8972=2, 12312/6.3=1 HB3 GLU 35 - HD2 LYS 20 lone 9 96 - 10 - 12058=1 HB3 GLU 35 - HD3 LYS 20 lone 8 83 - 10 - 12058=1, 12058/1.8=1 HB3 GLU 43 - HD2 LYS 20 poor 7 66 - 11 - HB3 GLU 88 - HD2 LYS 20 lone 7 95 - 7 - 3884/3.5=2, 3.0/4034=1 QE MET 21 - HD2 LYS 20 poor 7 58 - 12 - 6.1/6329=2, 5.3/8564=2...(4) QE MET 21 - HB3 ARG 91 lone 6 64 - 9 - 8539/3.9=4 HB3 GLU 88 - HD3 LYS 20 lone 6 82 - 7 - 3884/3.5=2 HB3 GLU 43 - HD3 LYS 20 poor 6 54 - 10 - QE MET 21 - HD3 LYS 20 poor 5 48 - 11 - 6.1/6329=2, 5.3/8564=2...(4) HB2 GLU 16 - HB3 ARG 91 lone 5 98 - 5 - ~10992=1 HB2 GLU 16 - HD3 LYS 47 lone 5 98 - 5 - HB2 GLU 16 - HD2 LYS 47 lone 5 99 - 5 - HB3 LEU 38 - HD2 LYS 47 lone 5 95 - 5 - HB3 LEU 38 - HD3 LYS 47 lone 5 95 - 5 - QE MET 21 - HD2 LYS 47 lone 4 65 - 6 - QE MET 21 - HD3 LYS 47 lone 4 65 - 6 - HB2 MET 74 - HD2 LYS 47 lone 3 65 - 4 - HB2 MET 74 - HD3 LYS 47 lone 3 65 - 4 - HB2 MET 74 - HB3 ARG 91 lone 3 64 - 4 - HB3 GLU 62 - HB3 ARG 91 lone 2 94 - 3 - HB3 GLU 62 - HD2 LYS 20 lone 2 89 - 2 - HB3 GLU 62 - HD3 LYS 20 lone 2 76 - 2 - HB3 GLU 62 - HD2 LYS 47 lone 1 95 - 2 - HB3 GLU 62 - HD3 LYS 47 lone 1 95 - 2 - HG3 GLU 104 - HB3 ARG 91 lone 1 67 - 2 - HB2 MET 74 - HD2 LYS 20 lone 1 58 - 2 - HG3 GLU 28 - HD2 LYS 20 lone 1 62 - 2 - HG2 GLU 28 - HD2 LYS 20 lone 1 62 - 2 - HG3 GLU 104 - HD2 LYS 20 lone 1 62 - 2 - HB2 MET 74 - HD3 LYS 20 lone 1 48 - 2 - HG2 GLU 28 - HD3 LYS 20 lone 1 51 - 2 - HG3 GLU 28 - HD3 LYS 20 lone 1 51 - 2 - HG3 GLU 104 - HD3 LYS 20 lone 1 51 - 2 - HG3 GLU 104 - HD2 LYS 47 lone 1 69 - 1 - HG3 GLU 104 - HD3 LYS 47 lone 1 69 - 1 - HG2 GLU 28 - HB3 ARG 91 lone 1 67 - 1 - HG3 GLU 28 - HB3 ARG 91 lone 1 67 - 1 - HG2 GLU 28 - HD2 LYS 47 lone 1 69 - 1 - HG3 GLU 28 - HD2 LYS 47 lone 1 69 - 1 - HG2 GLU 28 - HD3 LYS 47 lone 1 69 - 1 - HG3 GLU 28 - HD3 LYS 47 lone 1 69 - 1 - Peak 12146 from cnoeabs.peaks (2.08, 1.68, 29.30 ppm; 3.82 A): 6 out of 60 assignments used, quality = 0.92: HB3 GLU 88 + HB3 ARG 91 OK 54 99 - 55 - ~4024=10, ~3870=9...(14) HB3 LEU 38 + HB3 ARG 91 OK 37 94 - 39 - 3.1/12070=4, ~4030=3...(22) HB2 GLU 23 + HB3 ARG 91 OK 36 97 - 37 - ~10461=6, 10462/2.8=4...(17) HB3 GLU 35 + HB3 ARG 91 OK 34 99 - 34 - 12058=5, ~4026=3...(17) HB2 GLU 16 + HD2 LYS 20 OK 23 93 - 25 - 12058=3, 12058/2.8=2...(11) HB2 GLU 16 + HD3 LYS 20 OK 19 80 - 24 - 12058=2, 12058/2.8=2...(10) HB3 GLU 43 - HB3 ARG 91 OK 19 71 - 26 - 12312/3.9=2, ~4026=2...(10) HB3 LEU 38 - HD2 LYS 20 OK 13 89 - 15 - 10546/3.5=2, 3.1/12070=2...(5) HB2 GLU 23 - HD2 LYS 20 OK 13 92 - 14 - 1019/5.3=4, 10462/2.8=2...(4) HB3 LEU 38 - HD3 LYS 20 OK 11 76 - 15 - 10546/3.5=2, 3.1/12070=2...(5) HB3 GLU 35 - HD2 LYS 47 OK 11 100 - 11 - 12058=1, 12058/1.8=1 HB2 GLU 23 - HD3 LYS 20 OK 11 79 - 14 - 1019/5.3=4, 10462/2.8=2...(4) HB3 GLU 35 - HD3 LYS 47 OK 11 100 - 11 - 12058=1, 12058/1.8=1 HB3 GLU 88 - HD3 LYS 47 OK 11 100 - 11 - 3.0/4034=3, ~4034=2...(4) HB3 GLU 88 - HD2 LYS 47 OK 11 100 - 11 - 3.0/4034=3, ~4034=2...(4) HB2 GLU 23 - HD2 LYS 47 poor 10 98 - 10 - 12058=1 HB2 GLU 23 - HD3 LYS 47 poor 10 98 - 10 - 12058=1 HB3 GLU 43 - HD2 LYS 47 poor 10 73 - 13 - 4.4/8972=2, 12312/6.3=1 HB3 GLU 43 - HD3 LYS 47 poor 10 73 - 13 - 4.4/8972=2, 12312/6.3=1 HB3 GLU 35 - HD2 LYS 20 lone 9 96 - 10 - 12058=1 HB3 GLU 35 - HD3 LYS 20 lone 8 83 - 10 - 12058=1, 12058/1.8=1 HB3 GLU 43 - HD2 LYS 20 poor 7 66 - 11 - HB3 GLU 88 - HD2 LYS 20 lone 7 95 - 7 - 3884/3.5=2, 3.0/4034=1 QE MET 21 - HD2 LYS 20 poor 7 58 - 12 - 6.1/6329=2, 5.3/8564=2...(4) QE MET 21 - HB3 ARG 91 lone 6 64 - 9 - 8539/3.9=4 HB3 GLU 88 - HD3 LYS 20 lone 6 82 - 7 - 3884/3.5=2 HB3 GLU 43 - HD3 LYS 20 poor 6 54 - 10 - QE MET 21 - HD3 LYS 20 poor 5 48 - 11 - 6.1/6329=2, 5.3/8564=2...(4) HB2 GLU 16 - HB3 ARG 91 lone 5 98 - 5 - ~10992=1 HB2 GLU 16 - HD3 LYS 47 lone 5 98 - 5 - HB2 GLU 16 - HD2 LYS 47 lone 5 99 - 5 - HB3 LEU 38 - HD2 LYS 47 lone 5 95 - 5 - HB3 LEU 38 - HD3 LYS 47 lone 5 95 - 5 - QE MET 21 - HD2 LYS 47 lone 4 65 - 6 - QE MET 21 - HD3 LYS 47 lone 4 65 - 6 - HB2 MET 74 - HD2 LYS 47 lone 3 65 - 4 - HB2 MET 74 - HD3 LYS 47 lone 3 65 - 4 - HB2 MET 74 - HB3 ARG 91 lone 3 64 - 4 - HB3 GLU 62 - HB3 ARG 91 lone 2 94 - 3 - HB3 GLU 62 - HD2 LYS 20 lone 2 89 - 2 - HB3 GLU 62 - HD3 LYS 20 lone 2 76 - 2 - HB3 GLU 62 - HD2 LYS 47 lone 1 95 - 2 - HB3 GLU 62 - HD3 LYS 47 lone 1 95 - 2 - HG3 GLU 104 - HB3 ARG 91 lone 1 67 - 2 - HB2 MET 74 - HD2 LYS 20 lone 1 58 - 2 - HG3 GLU 28 - HD2 LYS 20 lone 1 62 - 2 - HG2 GLU 28 - HD2 LYS 20 lone 1 62 - 2 - HG3 GLU 104 - HD2 LYS 20 lone 1 62 - 2 - HB2 MET 74 - HD3 LYS 20 lone 1 48 - 2 - HG2 GLU 28 - HD3 LYS 20 lone 1 51 - 2 - HG3 GLU 28 - HD3 LYS 20 lone 1 51 - 2 - HG3 GLU 104 - HD3 LYS 20 lone 1 51 - 2 - HG3 GLU 104 - HD2 LYS 47 lone 1 69 - 1 - HG3 GLU 104 - HD3 LYS 47 lone 1 69 - 1 - HG2 GLU 28 - HB3 ARG 91 lone 1 67 - 1 - HG3 GLU 28 - HB3 ARG 91 lone 1 67 - 1 - HG2 GLU 28 - HD2 LYS 47 lone 1 69 - 1 - HG3 GLU 28 - HD2 LYS 47 lone 1 69 - 1 - HG2 GLU 28 - HD3 LYS 47 lone 1 69 - 1 - HG3 GLU 28 - HD3 LYS 47 lone 1 69 - 1 - Peak 12153 from cnoeabs.peaks (2.13, 2.90, 41.80 ppm; 4.64 A): 12 out of 33 assignments used, quality = 0.95: HB2 PRO 86 + HE3 LYS 66 OK 45 89 - 51 - ~12288=6, ~2942=6...(20) HB2 PRO 86 + HE2 LYS 66 OK 40 78 - 51 - ~12288=6, ~2942=6...(21) HB2 LEU 64 + HE3 LYS 66 OK 31 65 - 47 - ~9485=8, 3.1/9484=8...(18) HB2 LEU 64 + HE2 LYS 66 OK 23 55 - 43 - 3.1/9484=6, ~9484=5...(18) HB2 GLU 69 + HE3 LYS 68 OK 19 71 - 26 - ~10794=7, 10801/3.6=4...(6) HB3 GLU 69 + HE3 LYS 68 OK 19 71 - 26 - ~10794=7, 10801/3.6=4...(6) HB2 GLU 69 + HE3 LYS 66 OK 14 99 - 14 - 3102/6.1=5, 4.0/7131=3...(5) HB3 GLU 69 + HE3 LYS 66 OK 14 99 - 14 - 3102/6.1=5, 4.0/7131=3...(5) HG2 GLU 69 + HE3 LYS 66 OK 12 99 - 13 - 5.1/7131=2, 10798/3.6=2...(5) HB3 GLU 69 + HE2 LYS 66 OK 12 90 - 14 - 3094/6.1=5, 4.0/7131=2...(5) HB2 GLU 69 + HE2 LYS 66 OK 12 90 - 14 - 3094/6.1=5, 4.0/7131=2...(5) HG2 GLU 69 + HE2 LYS 66 OK 11 90 - 12 - 10798/3.6=2, 10798/3.6=2...(5) HB2 LEU 64 - HE3 LYS 68 poor 10 41 - 24 - 3.1/9484=6, ~9484=4...(7) HG2 GLU 69 - HE3 LYS 68 poor 9 71 - 12 - 5.1/7131=4, ~10529=3...(4) HG2 GLU 44 - HE3 LYS 66 lone 7 99 - 7 - 10798/3.6=2, 10798/3.6=2 HG2 GLU 44 - HE2 LYS 66 lone 6 90 - 7 - 10798/3.6=2, 10798/3.6=2 HB3 GLU 37 - HE3 LYS 66 lone 5 99 - 5 - ~12290=2 HB3 GLU 37 - HE2 LYS 66 lone 5 89 - 5 - ~12290=2 HG2 GLU 104 - HE3 LYS 66 lone 3 69 - 4 - HG2 GLU 88 - HE3 LYS 68 lone 3 60 - 5 - 9915/10199=2 HB2 PRO 86 - HE3 LYS 68 lone 3 60 - 5 - HG2 GLU 104 - HE2 LYS 66 lone 3 58 - 4 - HG2 GLU 88 - HE3 LYS 66 lone 2 89 - 3 - HG2 GLU 44 - HE3 LYS 68 lone 2 71 - 3 - HB VAL 83 - HE3 LYS 66 lone 2 65 - 3 - HB3 GLU 37 - HE3 LYS 68 lone 2 70 - 3 - HG2 GLU 88 - HE2 LYS 66 lone 2 78 - 2 - HB2 GLU 75 - HE3 LYS 66 lone 2 99 - 2 - HB VAL 83 - HE2 LYS 66 lone 2 55 - 3 - HG2 GLU 104 - HE3 LYS 68 lone 2 44 - 4 - HB2 GLU 75 - HE2 LYS 66 lone 2 89 - 2 - HB VAL 83 - HE3 LYS 68 lone 1 41 - 3 - HB2 GLU 75 - HE3 LYS 68 lone 1 70 - 2 - Peak 12155 from cnoeabs.peaks (2.01, 1.49, 24.60 ppm; 4.37 A): 8 out of 45 assignments used, quality = 0.92: HB2 GLU 35 + HG2 LYS 66 OK 39 100 - 39 - 1.8/12156=5, ~12158=3...(19) HB2 GLU 35 + HG3 LYS 66 OK 38 97 - 39 - 1.8/12156=5, ~12158=4...(19) HB3 LYS 94 + HG2 LYS 47 OK 32 43 - 73 - 4203/1.8=11, ~4225=8...(29) HB2 GLU 44 + HG2 LYS 47 OK 21 47 - 44 - ~10615=9, ~1999=7...(12) HB3 GLU 44 + HG2 LYS 47 OK 21 47 - 44 - ~10615=9, ~1999=7...(12) HB2 GLU 62 + HG2 LYS 66 OK 20 99 - 21 - 4.6/9458=5, ~12290=4...(8) HB3 MET 1 + HG2 LYS 47 OK 20 50 - 40 - 21/3.0=6, ~14=5...(19) HB2 GLU 62 + HG3 LYS 66 OK 20 96 - 21 - 4.6/9458=5, ~12290=4...(8) HB3 LYS 94 - HG2 LYS 66 OK 19 86 - 22 - 4204/2.9=3, ~4192=2...(13) QE MET 74 - HG2 LYS 73 OK 19 48 - 39 - 9588/4.9=7, 3369/2.9=5...(12) HB3 LYS 94 - HG3 LYS 66 OK 18 82 - 22 - 4204/2.9=3, ~4192=2...(13) HB3 MET 1 - HG2 LYS 73 OK 14 49 - 29 - 16/4.1=4, 21/2.9=3...(12) HB3 GLU 17 - HG2 LYS 73 OK 11 54 - 21 - 10434=3, 3.0/10183=3...(6) QE MET 74 - HG2 LYS 66 lone 8 93 - 8 - 9587/10778=1 HB2 GLU 35 - HG2 LYS 47 poor 7 56 - 13 - 4.0/8776=1, 1.8/12158=1 QE MET 74 - HG3 LYS 66 lone 7 90 - 8 - 9587/10778=2 HB3 GLU 44 - HG2 LYS 66 lone 7 91 - 7 - 3.0/10798=2, ~10798=1 HB2 GLU 44 - HG2 LYS 66 lone 7 91 - 7 - 3.0/10798=2, ~10798=1 HB3 GLU 44 - HG3 LYS 66 lone 6 88 - 7 - 3.0/10798=2, ~10798=1 HB2 GLU 44 - HG3 LYS 66 lone 6 88 - 7 - 3.0/10798=2, ~10798=1 HB3 GLU 17 - HG2 LYS 66 lone 5 99 - 5 - QE MET 74 - HG2 LYS 47 poor 5 49 - 10 - 6.0/7219=2, 3369/3.0=1 HB3 MET 1 - HG3 LYS 66 lone 5 92 - 5 - HB3 GLU 17 - HG3 LYS 66 lone 5 97 - 5 - HB3 MET 1 - HG2 LYS 66 lone 5 95 - 5 - HB3 GLU 17 - HG2 LYS 47 lone 5 55 - 8 - 10434=1, 3.0/10183=1 HB3 LYS 94 - HG2 LYS 73 poor 5 42 - 11 - 4204/1.8=1, ~4177=1 HB3 GLU 17 - HG3 LYS 13 poor 4 38 - 12 - ~10436=2, 3.0/10183=2...(5) HB3 LYS 94 - HG3 LYS 13 poor 3 30 - 11 - 4199/3.0=1, 4199/3.0=1 HB2 GLU 35 - HG2 LYS 73 lone 3 55 - 6 - QE MET 74 - HG3 LYS 13 lone 3 34 - 9 - 3373/4.8=2, 6.0/7219=2 HB3 MET 1 - HG3 LYS 13 lone 3 35 - 8 - 16/3.9=1, ~518=1, 3.0/8008=1 HB2 GLU 44 - HG2 LYS 73 lone 2 46 - 5 - 3.0/10798=1 HB3 GLU 44 - HG2 LYS 73 lone 2 46 - 5 - 3.0/10798=1 HB3 GLU 44 - HG3 LYS 13 lone 2 32 - 7 - 3.0/10798=2 HB2 GLU 44 - HG3 LYS 13 lone 2 32 - 7 - 3.0/10798=2 HB2 GLU 62 - HG2 LYS 47 lone 2 54 - 3 - HB2 GLN 50 - HG2 LYS 66 lone 1 83 - 2 - HB2 GLU 35 - HG3 LYS 13 lone 1 39 - 4 - HB2 GLN 50 - HG3 LYS 66 lone 1 79 - 2 - HB2 GLU 62 - HG2 LYS 73 lone 1 53 - 2 - HB2 GLN 50 - HG2 LYS 47 lone 1 41 - 3 - HB2 GLN 50 - HG2 LYS 73 lone 1 40 - 2 - HB2 GLU 62 - HG3 LYS 13 lone 1 38 - 2 - HB2 GLN 50 - HG3 LYS 13 lone 0 28 - 1 - Peak 12156 from cnoeabs.peaks (2.08, 1.49, 24.60 ppm; 4.43 A): 5 out of 60 assignments used, quality = 0.76: HB3 GLU 35 + HG2 LYS 66 OK 38 100 - 38 - 1.8/12157=4, ~12308=3...(19) HB3 GLU 35 + HG3 LYS 66 OK 37 98 - 38 - 1.8/12155=4, ~12308=3...(19) HB3 GLU 62 + HG2 LYS 66 OK 18 95 - 19 - 4.6/9458=5, ~12290=5...(7) HB3 GLU 62 + HG3 LYS 66 OK 18 92 - 19 - 4.6/9458=5, ~12290=5...(7) HB2 MET 74 + HG2 LYS 73 OK 11 30 - 37 - 4.0/7219=7, ~12188=4...(15) HB3 GLU 88 - HG2 LYS 47 poor 8 56 - 14 - 3.0/3870=4, ~4034=2, ~3871=1 HB3 GLU 35 - HG2 LYS 47 poor 8 57 - 13 - 4.0/8776=1, 12058/3.0=1 HB3 GLU 43 - HG2 LYS 47 poor 6 35 - 18 - 12312/4.9=2, ~4184=1...(5) HB2 GLU 23 - HG2 LYS 66 lone 6 98 - 6 - ~12290=2 HB2 GLU 23 - HG2 LYS 47 poor 6 53 - 12 - ~2169=2, 1021/3.9=1, 1.8/10461=1 HB2 GLU 23 - HG3 LYS 66 lone 6 95 - 6 - ~12290=2 HB3 GLU 88 - HG2 LYS 66 lone 6 100 - 6 - 3.0/3870=2, ~3870=1 HB3 GLU 88 - HG3 LYS 66 lone 6 97 - 6 - 3.0/3870=2, ~3870=1 HB3 LEU 38 - HG3 LYS 13 poor 5 35 - 15 - 493/3.9=5, 1641/4.8=4...(4) HB3 GLU 88 - HG2 LYS 73 lone 5 55 - 9 - 3.0/3870=2, 3884/2.9=1 QE MET 21 - HG2 LYS 66 lone 5 65 - 8 - 8540/3.7=2, 10443/2.9=2 HB3 GLU 43 - HG2 LYS 66 lone 5 73 - 7 - QE MET 21 - HG3 LYS 66 lone 5 61 - 8 - 8540/3.7=2, 10443/2.9=2 HB3 GLU 43 - HG3 LYS 66 lone 5 69 - 7 - HB3 GLU 88 - HG3 LYS 13 poor 5 39 - 12 - 3.0/3870=4, ~8393=4, 493/3.9=2 HG3 GLU 104 - HG2 LYS 66 lone 5 69 - 6 - HG3 GLU 104 - HG3 LYS 66 lone 4 65 - 6 - HB3 LEU 38 - HG2 LYS 66 lone 4 95 - 4 - HB2 GLU 16 - HG3 LYS 13 poor 4 38 - 11 - 695/3.9=6, 702/4.8=2 HB3 LEU 38 - HG3 LYS 66 lone 4 92 - 4 - HB2 GLU 16 - HG2 LYS 73 lone 4 53 - 7 - ~12183=1 HB2 GLU 16 - HG2 LYS 66 lone 3 99 - 3 - HB3 GLU 35 - HG2 LYS 73 lone 3 56 - 6 - HB2 GLU 16 - HG3 LYS 66 lone 3 96 - 3 - HB2 GLU 16 - HG2 LYS 47 lone 3 54 - 6 - 695/3.9=2 HB2 MET 74 - HG2 LYS 47 poor 3 30 - 10 - 4.0/7219=3 HB2 GLU 23 - HG2 LYS 73 lone 3 52 - 6 - ~12183=1 HB2 GLU 23 - HG3 LYS 13 lone 3 37 - 7 - 493/3.9=2, ~10459=1 HB3 LEU 38 - HG2 LYS 47 lone 3 50 - 5 - QE MET 21 - HG2 LYS 73 lone 2 30 - 8 - ~12042=1, 10443/1.8=1 HB2 MET 74 - HG3 LYS 13 poor 2 20 - 11 - 4.0/7219=3, 493/3.9=3...(4) HB2 MET 74 - HG2 LYS 66 lone 2 65 - 3 - 4.0/7219=1 HG3 GLU 28 - HG2 LYS 66 lone 2 69 - 3 - 5.0/2908=1 HG2 GLU 28 - HG2 LYS 66 lone 2 69 - 3 - 5.0/2908=1 HB2 MET 74 - HG3 LYS 66 lone 2 61 - 3 - 4.0/7219=1 HG2 GLU 28 - HG3 LYS 66 lone 2 65 - 3 - 5.0/2908=1 HG3 GLU 28 - HG3 LYS 66 lone 2 65 - 3 - 5.0/2908=1 QE MET 21 - HG2 LYS 47 lone 2 30 - 6 - 8539/4.9=2, 10443/1.8=1 HB3 GLU 35 - HG3 LYS 13 lone 2 39 - 4 - HB3 GLU 62 - HG2 LYS 47 lone 2 50 - 3 - HB3 LEU 38 - HG2 LYS 73 lone 1 49 - 3 - HB3 GLU 43 - HG3 LYS 13 lone 1 23 - 6 - 493/3.9=1 HB3 GLU 62 - HG2 LYS 73 lone 1 49 - 2 - HB3 GLU 43 - HG2 LYS 73 lone 1 34 - 3 - HB3 GLU 62 - HG3 LYS 13 lone 1 35 - 2 - QE MET 21 - HG3 LYS 13 lone 1 20 - 3 - HG3 GLU 104 - HG2 LYS 47 lone 1 33 - 2 - HG3 GLU 104 - HG2 LYS 73 lone 1 32 - 2 - HG3 GLU 28 - HG2 LYS 47 lone 0 33 - 1 - HG2 GLU 28 - HG2 LYS 47 lone 0 33 - 1 - HG3 GLU 28 - HG2 LYS 73 lone 0 32 - 1 - HG2 GLU 28 - HG2 LYS 73 lone 0 32 - 1 - HG3 GLU 104 - HG3 LYS 13 lone 0 22 - 1 - HG2 GLU 28 - HG3 LYS 13 lone 0 22 - 1 - HG3 GLU 28 - HG3 LYS 13 lone 0 22 - 1 - Peak 12157 from cnoeabs.peaks (2.01, 1.49, 24.60 ppm; 4.37 A): 8 out of 45 assignments used, quality = 0.92: HB2 GLU 35 + HG2 LYS 66 OK 39 100 - 39 - 1.8/12156=5, ~12158=3...(19) HB2 GLU 35 + HG3 LYS 66 OK 38 97 - 39 - 1.8/12156=5, ~12158=4...(19) HB3 LYS 94 + HG2 LYS 47 OK 32 43 - 73 - 4203/1.8=11, ~4225=8...(29) HB2 GLU 44 + HG2 LYS 47 OK 21 47 - 44 - ~10615=9, ~1999=7...(12) HB3 GLU 44 + HG2 LYS 47 OK 21 47 - 44 - ~10615=9, ~1999=7...(12) HB2 GLU 62 + HG2 LYS 66 OK 20 99 - 21 - 4.6/9458=5, ~12290=4...(8) HB3 MET 1 + HG2 LYS 47 OK 20 50 - 40 - 21/3.0=6, ~14=5...(19) HB2 GLU 62 + HG3 LYS 66 OK 20 96 - 21 - 4.6/9458=5, ~12290=4...(8) HB3 LYS 94 - HG2 LYS 66 OK 19 86 - 22 - 4204/2.9=3, ~4192=2...(13) QE MET 74 - HG2 LYS 73 OK 19 48 - 39 - 9588/4.9=7, 3369/2.9=5...(12) HB3 LYS 94 - HG3 LYS 66 OK 18 82 - 22 - 4204/2.9=3, ~4192=2...(13) HB3 MET 1 - HG2 LYS 73 OK 14 49 - 29 - 16/4.1=4, 21/2.9=3...(12) HB3 GLU 17 - HG2 LYS 73 OK 11 54 - 21 - 10434=3, 3.0/10183=3...(6) QE MET 74 - HG2 LYS 66 lone 8 93 - 8 - 9587/10778=1 HB2 GLU 35 - HG2 LYS 47 poor 7 56 - 13 - 4.0/8776=1, 1.8/12158=1 QE MET 74 - HG3 LYS 66 lone 7 90 - 8 - 9587/10778=2 HB3 GLU 44 - HG2 LYS 66 lone 7 91 - 7 - 3.0/10798=2, ~10798=1 HB2 GLU 44 - HG2 LYS 66 lone 7 91 - 7 - 3.0/10798=2, ~10798=1 HB3 GLU 44 - HG3 LYS 66 lone 6 88 - 7 - 3.0/10798=2, ~10798=1 HB2 GLU 44 - HG3 LYS 66 lone 6 88 - 7 - 3.0/10798=2, ~10798=1 HB3 GLU 17 - HG2 LYS 66 lone 5 99 - 5 - QE MET 74 - HG2 LYS 47 poor 5 49 - 10 - 6.0/7219=2, 3369/3.0=1 HB3 MET 1 - HG3 LYS 66 lone 5 92 - 5 - HB3 GLU 17 - HG3 LYS 66 lone 5 97 - 5 - HB3 MET 1 - HG2 LYS 66 lone 5 95 - 5 - HB3 GLU 17 - HG2 LYS 47 lone 5 55 - 8 - 10434=1, 3.0/10183=1 HB3 LYS 94 - HG2 LYS 73 poor 5 42 - 11 - 4204/1.8=1, ~4177=1 HB3 GLU 17 - HG3 LYS 13 poor 4 38 - 12 - ~10436=2, 3.0/10183=2...(5) HB3 LYS 94 - HG3 LYS 13 poor 3 30 - 11 - 4199/3.0=1, 4199/3.0=1 HB2 GLU 35 - HG2 LYS 73 lone 3 55 - 6 - QE MET 74 - HG3 LYS 13 lone 3 34 - 9 - 3373/4.8=2, 6.0/7219=2 HB3 MET 1 - HG3 LYS 13 lone 3 35 - 8 - 16/3.9=1, ~518=1, 3.0/8008=1 HB2 GLU 44 - HG2 LYS 73 lone 2 46 - 5 - 3.0/10798=1 HB3 GLU 44 - HG2 LYS 73 lone 2 46 - 5 - 3.0/10798=1 HB3 GLU 44 - HG3 LYS 13 lone 2 32 - 7 - 3.0/10798=2 HB2 GLU 44 - HG3 LYS 13 lone 2 32 - 7 - 3.0/10798=2 HB2 GLU 62 - HG2 LYS 47 lone 2 54 - 3 - HB2 GLN 50 - HG2 LYS 66 lone 1 83 - 2 - HB2 GLU 35 - HG3 LYS 13 lone 1 39 - 4 - HB2 GLN 50 - HG3 LYS 66 lone 1 79 - 2 - HB2 GLU 62 - HG2 LYS 73 lone 1 53 - 2 - HB2 GLN 50 - HG2 LYS 47 lone 1 41 - 3 - HB2 GLN 50 - HG2 LYS 73 lone 1 40 - 2 - HB2 GLU 62 - HG3 LYS 13 lone 1 38 - 2 - HB2 GLN 50 - HG3 LYS 13 lone 0 28 - 1 - Peak 12158 from cnoeabs.peaks (2.08, 1.49, 24.60 ppm; 4.43 A): 5 out of 60 assignments used, quality = 0.76: HB3 GLU 35 + HG2 LYS 66 OK 38 100 - 38 - 1.8/12157=4, ~12308=3...(19) HB3 GLU 35 + HG3 LYS 66 OK 37 98 - 38 - 1.8/12155=4, ~12308=3...(19) HB3 GLU 62 + HG2 LYS 66 OK 18 95 - 19 - 4.6/9458=5, ~12290=5...(7) HB3 GLU 62 + HG3 LYS 66 OK 18 92 - 19 - 4.6/9458=5, ~12290=5...(7) HB2 MET 74 + HG2 LYS 73 OK 11 30 - 37 - 4.0/7219=7, ~12188=4...(15) HB3 GLU 88 - HG2 LYS 47 poor 8 56 - 14 - 3.0/3870=4, ~4034=2, ~3871=1 HB3 GLU 35 - HG2 LYS 47 poor 8 57 - 13 - 4.0/8776=1, 12058/3.0=1 HB3 GLU 43 - HG2 LYS 47 poor 6 35 - 18 - 12312/4.9=2, ~4184=1...(5) HB2 GLU 23 - HG2 LYS 66 lone 6 98 - 6 - ~12290=2 HB2 GLU 23 - HG2 LYS 47 poor 6 53 - 12 - ~2169=2, 1021/3.9=1, 1.8/10461=1 HB2 GLU 23 - HG3 LYS 66 lone 6 95 - 6 - ~12290=2 HB3 GLU 88 - HG2 LYS 66 lone 6 100 - 6 - 3.0/3870=2, ~3870=1 HB3 GLU 88 - HG3 LYS 66 lone 6 97 - 6 - 3.0/3870=2, ~3870=1 HB3 LEU 38 - HG3 LYS 13 poor 5 35 - 15 - 493/3.9=5, 1641/4.8=4...(4) HB3 GLU 88 - HG2 LYS 73 lone 5 55 - 9 - 3.0/3870=2, 3884/2.9=1 QE MET 21 - HG2 LYS 66 lone 5 65 - 8 - 8540/3.7=2, 10443/2.9=2 HB3 GLU 43 - HG2 LYS 66 lone 5 73 - 7 - QE MET 21 - HG3 LYS 66 lone 5 61 - 8 - 8540/3.7=2, 10443/2.9=2 HB3 GLU 43 - HG3 LYS 66 lone 5 69 - 7 - HB3 GLU 88 - HG3 LYS 13 poor 5 39 - 12 - 3.0/3870=4, ~8393=4, 493/3.9=2 HG3 GLU 104 - HG2 LYS 66 lone 5 69 - 6 - HG3 GLU 104 - HG3 LYS 66 lone 4 65 - 6 - HB3 LEU 38 - HG2 LYS 66 lone 4 95 - 4 - HB2 GLU 16 - HG3 LYS 13 poor 4 38 - 11 - 695/3.9=6, 702/4.8=2 HB3 LEU 38 - HG3 LYS 66 lone 4 92 - 4 - HB2 GLU 16 - HG2 LYS 73 lone 4 53 - 7 - ~12183=1 HB2 GLU 16 - HG2 LYS 66 lone 3 99 - 3 - HB3 GLU 35 - HG2 LYS 73 lone 3 56 - 6 - HB2 GLU 16 - HG3 LYS 66 lone 3 96 - 3 - HB2 GLU 16 - HG2 LYS 47 lone 3 54 - 6 - 695/3.9=2 HB2 MET 74 - HG2 LYS 47 poor 3 30 - 10 - 4.0/7219=3 HB2 GLU 23 - HG2 LYS 73 lone 3 52 - 6 - ~12183=1 HB2 GLU 23 - HG3 LYS 13 lone 3 37 - 7 - 493/3.9=2, ~10459=1 HB3 LEU 38 - HG2 LYS 47 lone 3 50 - 5 - QE MET 21 - HG2 LYS 73 lone 2 30 - 8 - ~12042=1, 10443/1.8=1 HB2 MET 74 - HG3 LYS 13 poor 2 20 - 11 - 4.0/7219=3, 493/3.9=3...(4) HB2 MET 74 - HG2 LYS 66 lone 2 65 - 3 - 4.0/7219=1 HG3 GLU 28 - HG2 LYS 66 lone 2 69 - 3 - 5.0/2908=1 HG2 GLU 28 - HG2 LYS 66 lone 2 69 - 3 - 5.0/2908=1 HB2 MET 74 - HG3 LYS 66 lone 2 61 - 3 - 4.0/7219=1 HG2 GLU 28 - HG3 LYS 66 lone 2 65 - 3 - 5.0/2908=1 HG3 GLU 28 - HG3 LYS 66 lone 2 65 - 3 - 5.0/2908=1 QE MET 21 - HG2 LYS 47 lone 2 30 - 6 - 8539/4.9=2, 10443/1.8=1 HB3 GLU 35 - HG3 LYS 13 lone 2 39 - 4 - HB3 GLU 62 - HG2 LYS 47 lone 2 50 - 3 - HB3 LEU 38 - HG2 LYS 73 lone 1 49 - 3 - HB3 GLU 43 - HG3 LYS 13 lone 1 23 - 6 - 493/3.9=1 HB3 GLU 62 - HG2 LYS 73 lone 1 49 - 2 - HB3 GLU 43 - HG2 LYS 73 lone 1 34 - 3 - HB3 GLU 62 - HG3 LYS 13 lone 1 35 - 2 - QE MET 21 - HG3 LYS 13 lone 1 20 - 3 - HG3 GLU 104 - HG2 LYS 47 lone 1 33 - 2 - HG3 GLU 104 - HG2 LYS 73 lone 1 32 - 2 - HG3 GLU 28 - HG2 LYS 47 lone 0 33 - 1 - HG2 GLU 28 - HG2 LYS 47 lone 0 33 - 1 - HG3 GLU 28 - HG2 LYS 73 lone 0 32 - 1 - HG2 GLU 28 - HG2 LYS 73 lone 0 32 - 1 - HG3 GLU 104 - HG3 LYS 13 lone 0 22 - 1 - HG2 GLU 28 - HG3 LYS 13 lone 0 22 - 1 - HG3 GLU 28 - HG3 LYS 13 lone 0 22 - 1 - Peak 12159 from cnoeabs.peaks (2.20, 1.49, 24.60 ppm; 4.42 A): 3 out of 45 assignments used, quality = 0.97: HB2 GLU 63 + HG2 LYS 66 OK 77 100 - 77 - ~2771=12, ~2896=11...(22) HB2 GLU 63 + HG3 LYS 66 OK 75 97 - 77 - ~2771=12, ~2896=11...(22) HG3 PRO 86 + HG2 LYS 66 OK 43 99 - 43 - 12289/2.9=6, ~12288=5...(16) HG3 PRO 86 - HG3 LYS 66 OK 41 96 - 43 - 12289/2.9=6, ~12288=5...(16) HG3 GLU 35 - HG2 LYS 66 OK 38 99 - 39 - 12308/2.9=6, ~12308=4...(16) HG2 GLU 35 - HG2 LYS 66 OK 38 99 - 39 - 12308/2.9=6, ~12308=4...(16) HG2 GLU 35 - HG3 LYS 66 OK 37 97 - 39 - 12308/2.9=6, ~12308=4...(16) HG3 GLU 35 - HG3 LYS 66 OK 37 97 - 39 - 12308/2.9=6, ~12308=4...(16) HG2 MET 1 - HG2 LYS 47 OK 20 56 - 36 - 28/3.0=6, ~35=4...(15) HG2 MET 1 - HG2 LYS 73 OK 13 55 - 24 - 23/4.1=3, 24/2.9=3...(10) HB2 GLU 95 - HG2 LYS 66 lone 8 99 - 8 - ~12290=2, 12289/2.9=1 HB2 GLU 95 - HG3 LYS 66 lone 8 97 - 8 - ~12290=2, 12289/2.9=1 HG2 GLU 35 - HG2 LYS 47 poor 6 55 - 11 - 12308/1.8=1, 4.9/8776=1 HG3 GLU 35 - HG2 LYS 47 poor 6 55 - 11 - 12308/1.8=1, 4.9/8776=1 HB2 GLU 95 - HG2 LYS 73 poor 6 54 - 12 - ~9581=3, ~12183=3 HG2 MET 1 - HG3 LYS 66 lone 5 98 - 5 - HG2 MET 1 - HG2 LYS 66 lone 5 100 - 5 - HG2 GLU 43 - HG2 LYS 66 lone 5 86 - 6 - HG2 GLU 43 - HG3 LYS 66 lone 5 82 - 6 - HG2 GLU 43 - HG2 LYS 47 poor 4 43 - 10 - HG3 PRO 86 - HG2 LYS 47 lone 4 54 - 8 - 2.3/10957=1 HG3 PRO 86 - HG3 LYS 13 poor 4 38 - 11 - 2.3/10957=1 HG3 GLU 35 - HG2 LYS 73 lone 3 54 - 6 - HG2 GLU 35 - HG2 LYS 73 lone 3 54 - 6 - HB3 GLU 75 - HG2 LYS 66 lone 3 89 - 3 - HB3 GLU 75 - HG3 LYS 66 lone 3 85 - 3 - HB2 GLU 63 - HG2 LYS 47 lone 3 56 - 5 - HB3 GLU 75 - HG2 LYS 73 lone 2 44 - 6 - ~9581=2, ~12183=1 HB2 GLU 63 - HG2 LYS 73 lone 2 55 - 4 - HB3 GLU 75 - HG3 LYS 13 lone 2 31 - 6 - 3388/4.8=3 HG2 GLU 98 - HG2 LYS 66 lone 2 76 - 2 - HG2 MET 1 - HG3 LYS 13 lone 2 39 - 4 - 23/3.9=1 HG2 GLU 98 - HG3 LYS 66 lone 2 73 - 2 - HG3 PRO 86 - HG2 LYS 73 lone 1 53 - 3 - HG2 GLU 43 - HG3 LYS 13 lone 1 30 - 4 - HB2 GLU 63 - HG3 LYS 13 lone 1 39 - 3 - HG3 GLU 35 - HG3 LYS 13 lone 1 38 - 3 - HG2 GLU 35 - HG3 LYS 13 lone 1 38 - 3 - HG2 GLU 43 - HG2 LYS 73 lone 1 42 - 3 - HB2 GLU 95 - HG2 LYS 47 lone 1 55 - 2 - HB3 GLU 75 - HG2 LYS 47 lone 1 45 - 2 - HB2 GLU 95 - HG3 LYS 13 lone 1 38 - 2 - HG2 GLU 98 - HG2 LYS 73 lone 0 36 - 1 - HG2 GLU 98 - HG2 LYS 47 lone 0 37 - 1 - HG2 GLU 98 - HG3 LYS 13 lone 0 25 - 1 - Peak 12160 from cnoeabs.peaks (2.20, 1.49, 24.60 ppm; 4.42 A): 3 out of 45 assignments used, quality = 0.97: HB2 GLU 63 + HG2 LYS 66 OK 77 100 - 77 - ~2771=12, ~2896=11...(22) HB2 GLU 63 + HG3 LYS 66 OK 75 97 - 77 - ~2771=12, ~2896=11...(22) HG3 PRO 86 + HG2 LYS 66 OK 43 99 - 43 - 12289/2.9=6, ~12288=5...(16) HG3 PRO 86 - HG3 LYS 66 OK 41 96 - 43 - 12289/2.9=6, ~12288=5...(16) HG3 GLU 35 - HG2 LYS 66 OK 38 99 - 39 - 12308/2.9=6, ~12308=4...(16) HG2 GLU 35 - HG2 LYS 66 OK 38 99 - 39 - 12308/2.9=6, ~12308=4...(16) HG2 GLU 35 - HG3 LYS 66 OK 37 97 - 39 - 12308/2.9=6, ~12308=4...(16) HG3 GLU 35 - HG3 LYS 66 OK 37 97 - 39 - 12308/2.9=6, ~12308=4...(16) HG2 MET 1 - HG2 LYS 47 OK 20 56 - 36 - 28/3.0=6, ~35=4...(15) HG2 MET 1 - HG2 LYS 73 OK 13 55 - 24 - 23/4.1=3, 24/2.9=3...(10) HB2 GLU 95 - HG2 LYS 66 lone 8 99 - 8 - ~12290=2, 12289/2.9=1 HB2 GLU 95 - HG3 LYS 66 lone 8 97 - 8 - ~12290=2, 12289/2.9=1 HG2 GLU 35 - HG2 LYS 47 poor 6 55 - 11 - 12308/1.8=1, 4.9/8776=1 HG3 GLU 35 - HG2 LYS 47 poor 6 55 - 11 - 12308/1.8=1, 4.9/8776=1 HB2 GLU 95 - HG2 LYS 73 poor 6 54 - 12 - ~9581=3, ~12183=3 HG2 MET 1 - HG3 LYS 66 lone 5 98 - 5 - HG2 MET 1 - HG2 LYS 66 lone 5 100 - 5 - HG2 GLU 43 - HG2 LYS 66 lone 5 86 - 6 - HG2 GLU 43 - HG3 LYS 66 lone 5 82 - 6 - HG2 GLU 43 - HG2 LYS 47 poor 4 43 - 10 - HG3 PRO 86 - HG2 LYS 47 lone 4 54 - 8 - 2.3/10957=1 HG3 PRO 86 - HG3 LYS 13 poor 4 38 - 11 - 2.3/10957=1 HG3 GLU 35 - HG2 LYS 73 lone 3 54 - 6 - HG2 GLU 35 - HG2 LYS 73 lone 3 54 - 6 - HB3 GLU 75 - HG2 LYS 66 lone 3 89 - 3 - HB3 GLU 75 - HG3 LYS 66 lone 3 85 - 3 - HB2 GLU 63 - HG2 LYS 47 lone 3 56 - 5 - HB3 GLU 75 - HG2 LYS 73 lone 2 44 - 6 - ~9581=2, ~12183=1 HB2 GLU 63 - HG2 LYS 73 lone 2 55 - 4 - HB3 GLU 75 - HG3 LYS 13 lone 2 31 - 6 - 3388/4.8=3 HG2 GLU 98 - HG2 LYS 66 lone 2 76 - 2 - HG2 MET 1 - HG3 LYS 13 lone 2 39 - 4 - 23/3.9=1 HG2 GLU 98 - HG3 LYS 66 lone 2 73 - 2 - HG3 PRO 86 - HG2 LYS 73 lone 1 53 - 3 - HG2 GLU 43 - HG3 LYS 13 lone 1 30 - 4 - HB2 GLU 63 - HG3 LYS 13 lone 1 39 - 3 - HG3 GLU 35 - HG3 LYS 13 lone 1 38 - 3 - HG2 GLU 35 - HG3 LYS 13 lone 1 38 - 3 - HG2 GLU 43 - HG2 LYS 73 lone 1 42 - 3 - HB2 GLU 95 - HG2 LYS 47 lone 1 55 - 2 - HB3 GLU 75 - HG2 LYS 47 lone 1 45 - 2 - HB2 GLU 95 - HG3 LYS 13 lone 1 38 - 2 - HG2 GLU 98 - HG2 LYS 73 lone 0 36 - 1 - HG2 GLU 98 - HG2 LYS 47 lone 0 37 - 1 - HG2 GLU 98 - HG3 LYS 13 lone 0 25 - 1 - Peak 12161 from cnoeabs.peaks (2.20, 1.49, 24.60 ppm; 4.42 A): 3 out of 45 assignments used, quality = 0.97: HB2 GLU 63 + HG2 LYS 66 OK 77 100 - 77 - ~2771=12, ~2896=11...(22) HB2 GLU 63 + HG3 LYS 66 OK 75 97 - 77 - ~2771=12, ~2896=11...(22) HG3 PRO 86 + HG2 LYS 66 OK 43 99 - 43 - 12289/2.9=6, ~12288=5...(16) HG3 PRO 86 - HG3 LYS 66 OK 41 96 - 43 - 12289/2.9=6, ~12288=5...(16) HG3 GLU 35 - HG2 LYS 66 OK 38 99 - 39 - 12308/2.9=6, ~12308=4...(16) HG2 GLU 35 - HG2 LYS 66 OK 38 99 - 39 - 12308/2.9=6, ~12308=4...(16) HG2 GLU 35 - HG3 LYS 66 OK 37 97 - 39 - 12308/2.9=6, ~12308=4...(16) HG3 GLU 35 - HG3 LYS 66 OK 37 97 - 39 - 12308/2.9=6, ~12308=4...(16) HG2 MET 1 - HG2 LYS 47 OK 20 56 - 36 - 28/3.0=6, ~35=4...(15) HG2 MET 1 - HG2 LYS 73 OK 13 55 - 24 - 23/4.1=3, 24/2.9=3...(10) HB2 GLU 95 - HG2 LYS 66 lone 8 99 - 8 - ~12290=2, 12289/2.9=1 HB2 GLU 95 - HG3 LYS 66 lone 8 97 - 8 - ~12290=2, 12289/2.9=1 HG2 GLU 35 - HG2 LYS 47 poor 6 55 - 11 - 12308/1.8=1, 4.9/8776=1 HG3 GLU 35 - HG2 LYS 47 poor 6 55 - 11 - 12308/1.8=1, 4.9/8776=1 HB2 GLU 95 - HG2 LYS 73 poor 6 54 - 12 - ~9581=3, ~12183=3 HG2 MET 1 - HG3 LYS 66 lone 5 98 - 5 - HG2 MET 1 - HG2 LYS 66 lone 5 100 - 5 - HG2 GLU 43 - HG2 LYS 66 lone 5 86 - 6 - HG2 GLU 43 - HG3 LYS 66 lone 5 82 - 6 - HG2 GLU 43 - HG2 LYS 47 poor 4 43 - 10 - HG3 PRO 86 - HG2 LYS 47 lone 4 54 - 8 - 2.3/10957=1 HG3 PRO 86 - HG3 LYS 13 poor 4 38 - 11 - 2.3/10957=1 HG3 GLU 35 - HG2 LYS 73 lone 3 54 - 6 - HG2 GLU 35 - HG2 LYS 73 lone 3 54 - 6 - HB3 GLU 75 - HG2 LYS 66 lone 3 89 - 3 - HB3 GLU 75 - HG3 LYS 66 lone 3 85 - 3 - HB2 GLU 63 - HG2 LYS 47 lone 3 56 - 5 - HB3 GLU 75 - HG2 LYS 73 lone 2 44 - 6 - ~9581=2, ~12183=1 HB2 GLU 63 - HG2 LYS 73 lone 2 55 - 4 - HB3 GLU 75 - HG3 LYS 13 lone 2 31 - 6 - 3388/4.8=3 HG2 GLU 98 - HG2 LYS 66 lone 2 76 - 2 - HG2 MET 1 - HG3 LYS 13 lone 2 39 - 4 - 23/3.9=1 HG2 GLU 98 - HG3 LYS 66 lone 2 73 - 2 - HG3 PRO 86 - HG2 LYS 73 lone 1 53 - 3 - HG2 GLU 43 - HG3 LYS 13 lone 1 30 - 4 - HB2 GLU 63 - HG3 LYS 13 lone 1 39 - 3 - HG3 GLU 35 - HG3 LYS 13 lone 1 38 - 3 - HG2 GLU 35 - HG3 LYS 13 lone 1 38 - 3 - HG2 GLU 43 - HG2 LYS 73 lone 1 42 - 3 - HB2 GLU 95 - HG2 LYS 47 lone 1 55 - 2 - HB3 GLU 75 - HG2 LYS 47 lone 1 45 - 2 - HB2 GLU 95 - HG3 LYS 13 lone 1 38 - 2 - HG2 GLU 98 - HG2 LYS 73 lone 0 36 - 1 - HG2 GLU 98 - HG2 LYS 47 lone 0 37 - 1 - HG2 GLU 98 - HG3 LYS 13 lone 0 25 - 1 - Peak 12162 from cnoeabs.peaks (2.20, 1.49, 24.60 ppm; 4.42 A): 3 out of 45 assignments used, quality = 0.97: HB2 GLU 63 + HG2 LYS 66 OK 77 100 - 77 - ~2771=12, ~2896=11...(22) HB2 GLU 63 + HG3 LYS 66 OK 75 97 - 77 - ~2771=12, ~2896=11...(22) HG3 PRO 86 + HG2 LYS 66 OK 43 99 - 43 - 12289/2.9=6, ~12288=5...(16) HG3 PRO 86 - HG3 LYS 66 OK 41 96 - 43 - 12289/2.9=6, ~12288=5...(16) HG3 GLU 35 - HG2 LYS 66 OK 38 99 - 39 - 12308/2.9=6, ~12308=4...(16) HG2 GLU 35 - HG2 LYS 66 OK 38 99 - 39 - 12308/2.9=6, ~12308=4...(16) HG2 GLU 35 - HG3 LYS 66 OK 37 97 - 39 - 12308/2.9=6, ~12308=4...(16) HG3 GLU 35 - HG3 LYS 66 OK 37 97 - 39 - 12308/2.9=6, ~12308=4...(16) HG2 MET 1 - HG2 LYS 47 OK 20 56 - 36 - 28/3.0=6, ~35=4...(15) HG2 MET 1 - HG2 LYS 73 OK 13 55 - 24 - 23/4.1=3, 24/2.9=3...(10) HB2 GLU 95 - HG2 LYS 66 lone 8 99 - 8 - ~12290=2, 12289/2.9=1 HB2 GLU 95 - HG3 LYS 66 lone 8 97 - 8 - ~12290=2, 12289/2.9=1 HG2 GLU 35 - HG2 LYS 47 poor 6 55 - 11 - 12308/1.8=1, 4.9/8776=1 HG3 GLU 35 - HG2 LYS 47 poor 6 55 - 11 - 12308/1.8=1, 4.9/8776=1 HB2 GLU 95 - HG2 LYS 73 poor 6 54 - 12 - ~9581=3, ~12183=3 HG2 MET 1 - HG3 LYS 66 lone 5 98 - 5 - HG2 MET 1 - HG2 LYS 66 lone 5 100 - 5 - HG2 GLU 43 - HG2 LYS 66 lone 5 86 - 6 - HG2 GLU 43 - HG3 LYS 66 lone 5 82 - 6 - HG2 GLU 43 - HG2 LYS 47 poor 4 43 - 10 - HG3 PRO 86 - HG2 LYS 47 lone 4 54 - 8 - 2.3/10957=1 HG3 PRO 86 - HG3 LYS 13 poor 4 38 - 11 - 2.3/10957=1 HG3 GLU 35 - HG2 LYS 73 lone 3 54 - 6 - HG2 GLU 35 - HG2 LYS 73 lone 3 54 - 6 - HB3 GLU 75 - HG2 LYS 66 lone 3 89 - 3 - HB3 GLU 75 - HG3 LYS 66 lone 3 85 - 3 - HB2 GLU 63 - HG2 LYS 47 lone 3 56 - 5 - HB3 GLU 75 - HG2 LYS 73 lone 2 44 - 6 - ~9581=2, ~12183=1 HB2 GLU 63 - HG2 LYS 73 lone 2 55 - 4 - HB3 GLU 75 - HG3 LYS 13 lone 2 31 - 6 - 3388/4.8=3 HG2 GLU 98 - HG2 LYS 66 lone 2 76 - 2 - HG2 MET 1 - HG3 LYS 13 lone 2 39 - 4 - 23/3.9=1 HG2 GLU 98 - HG3 LYS 66 lone 2 73 - 2 - HG3 PRO 86 - HG2 LYS 73 lone 1 53 - 3 - HG2 GLU 43 - HG3 LYS 13 lone 1 30 - 4 - HB2 GLU 63 - HG3 LYS 13 lone 1 39 - 3 - HG3 GLU 35 - HG3 LYS 13 lone 1 38 - 3 - HG2 GLU 35 - HG3 LYS 13 lone 1 38 - 3 - HG2 GLU 43 - HG2 LYS 73 lone 1 42 - 3 - HB2 GLU 95 - HG2 LYS 47 lone 1 55 - 2 - HB3 GLU 75 - HG2 LYS 47 lone 1 45 - 2 - HB2 GLU 95 - HG3 LYS 13 lone 1 38 - 2 - HG2 GLU 98 - HG2 LYS 73 lone 0 36 - 1 - HG2 GLU 98 - HG2 LYS 47 lone 0 37 - 1 - HG2 GLU 98 - HG3 LYS 13 lone 0 25 - 1 - Peak 12163 from cnoeabs.peaks (8.26, 3.81, 60.00 ppm; 3.75 A): 6 out of 10 assignments used, quality = 0.72: H ALA 71 + HA LYS 68 OK 36 91 - 40 - 4.6/7142=12, 7166/3.6=9...(9) H LYS 94 + HA LYS 68 OK 20 89 - 23 - 10806/4.9=3, 7517/4.0=2...(9) H GLU 23 + HA ARG 19 OK 19 73 - 26 - 4.7/786=9, 3.6/1007=7...(5) H LYS 94 + HA ARG 19 OK 15 99 - 15 - 7513/3.0=2, 4.3/8509=1...(4) H PHE 45 + HA LYS 68 OK 11 91 - 12 - 10806/4.9=3, 7166/3.6=2...(4) H GLU 23 + HA LYS 68 OK 11 61 - 18 - 4.7/786=4, 6357=4...(5) H ALA 71 - HA ARG 19 lone 6 100 - 6 - 4.6/7142=1 H LEU 27 - HA ARG 19 lone 5 61 - 8 - 4.7/8640=2, 4.6/785=1...(4) H LEU 27 - HA LYS 68 lone 4 51 - 8 - 4.7/8640=2, 4.6/785=1 H PHE 45 - HA ARG 19 lone 3 100 - 3 - Peak 12164 from cnoeabs.peaks (2.42, 1.84, 32.20 ppm; 5.44 A): 3 out of 14 assignments used, quality = 0.89: HG2 GLN 72 + HB2 LYS 68 OK 76 98 - 78 - 4.8/9557=18...(12) HG3 GLU 17 + HB3 LYS 90 OK 45 73 - 62 - 12232/3.6=16, ~8477=9...(14) HG3 MET 1 + HB3 LYS 90 OK 19 83 - 23 - 12236/4.8=5, 8020/2.8=4...(5) HG2 GLN 72 - HB3 LYS 90 poor 10 81 - 12 - 4.8/9557=2, 3.5/12304=2...(5) HG3 GLU 17 - HB2 LYS 68 poor 9 92 - 10 - 7174/9557=2...(3) HG3 GLU 48 - HB3 LYS 90 poor 9 73 - 12 - 12232/3.6=3, 12236/4.8=2...(4) HG3 MET 1 - HB2 LYS 68 lone 8 99 - 8 - 7174/9557=1 HG3 GLN 50 - HB2 LYS 68 lone 7 88 - 9 - 7174/9557=2, 12325/3.0=2...(4) HG3 GLU 48 - HB2 LYS 68 lone 5 92 - 6 - HG3 GLN 50 - HB3 LYS 90 lone 4 69 - 6 - ~9949=1, 12232/3.6=1 HG3 GLU 99 - HB3 LYS 90 lone 4 48 - 7 - ~9948=1, 12232/3.6=1, 8478/3.0=1 HB2 ASP 11 - HB2 LYS 68 lone 3 85 - 4 - HB2 ASP 11 - HB3 LYS 90 lone 2 66 - 3 - HG3 GLU 99 - HB2 LYS 68 lone 2 64 - 3 - Peak 12166 from cnoeabs.peaks (2.42, 1.87, 32.20 ppm; 5.82 A): 7 out of 28 assignments used, quality = 0.93: HG2 GLN 72 + HB3 LYS 68 OK 76 99 - 77 - 1.8/12167=21...(11) HB2 ASP 11 + HB3 LYS 12 OK 33 70 - 48 - 4.5/6153=18, 8376/4.2=9...(10) HB2 ASP 11 + HB2 LYS 12 OK 29 61 - 48 - 4.5/6153=18, 8376/4.2=9...(10) HG2 GLN 72 + HB3 LYS 12 OK 13 85 - 15 - 1.8/12167=3, ~12167=2...(7) HG2 GLN 72 + HB2 LYS 12 OK 13 75 - 17 - 1.8/12167=3, ~12167=2...(7) HG3 GLU 17 + HB3 LYS 12 OK 12 77 - 16 - 6149/4.0=4, 758/4.2=2...(7) HG3 GLU 17 + HB2 LYS 12 OK 11 68 - 16 - 6149/4.0=4, 758/4.2=2...(7) HG3 GLN 50 - HB3 LYS 68 lone 8 89 - 9 - 12325/3.0=2, 12164/1.8=2 HG3 MET 1 - HB3 LYS 39 poor 8 73 - 11 - ~10576=2, ~10575=2...(6) HG3 GLU 17 - HB3 LYS 68 lone 7 93 - 8 - 12164/1.8=2, 3222/12167=1 HG3 GLU 48 - HB3 LYS 12 lone 7 77 - 10 - 6149/4.0=4 HG2 GLN 72 - HB3 LYS 39 lone 7 71 - 9 - 1.8/12167=2...(3) HG3 GLU 48 - HB2 LYS 12 lone 6 68 - 9 - 6149/4.0=4 HG3 GLU 48 - HB3 LYS 39 lone 6 64 - 9 - ~10574=3, ~10572=2 HG3 MET 1 - HB3 LYS 68 lone 6 100 - 6 - 12164/1.8=2 HB2 ASP 11 - HB3 LYS 39 lone 6 57 - 10 - 4.5/6153=4, 8376/4.0=2 HG3 GLN 50 - HB3 LYS 12 lone 6 72 - 8 - 6149/4.0=3 HG3 GLU 48 - HB3 LYS 68 lone 5 93 - 6 - 12164/1.8=1 HG3 GLN 50 - HB3 LYS 39 lone 5 60 - 8 - 3.5/1701=2, 9081/4.6=1 HG3 GLU 17 - HB3 LYS 39 lone 5 64 - 8 - ~8951=2, ~12072=1 HB2 ASP 11 - HB3 LYS 68 lone 5 86 - 6 - 4.5/6153=1 HG3 GLN 50 - HB2 LYS 12 lone 5 63 - 7 - 6149/4.0=3 HG3 MET 1 - HB3 LYS 12 lone 3 86 - 4 - HG3 MET 1 - HB2 LYS 12 lone 3 77 - 4 - HG3 GLU 99 - HB3 LYS 68 lone 2 65 - 3 - HG3 GLU 99 - HB3 LYS 12 lone 2 51 - 4 - 6149/4.0=1 HG3 GLU 99 - HB2 LYS 12 lone 2 43 - 4 - 6149/4.0=1 HG3 GLU 99 - HB3 LYS 39 lone 1 41 - 2 - Peak 12167 from cnoeabs.peaks (2.54, 1.87, 32.20 ppm; 5.04 A): 2 out of 12 assignments used, quality = 0.80: HG3 GLN 72 + HB3 LYS 68 OK 71 100 - 72 - 12324/3.0=14...(15) HG2 MET 74 + HB3 LYS 39 OK 30 55 - 56 - ~9609=21, ~9601=14...(7) HG3 GLN 72 - HB3 LYS 12 poor 10 86 - 11 - 1.8/12166=1, 9563=1...(5) HG2 MET 74 - HB3 LYS 12 poor 9 67 - 14 - ~9611=2, 3357/4.2=2...(5) HG3 GLN 72 - HB2 LYS 12 poor 9 76 - 12 - 9563/1.8=2, 1.8/12166=1...(4) HG2 MET 74 - HB2 LYS 12 poor 8 58 - 14 - ~9611=2, 3357/4.2=2...(5) HG3 GLN 72 - HB3 LYS 39 poor 7 72 - 10 - 9564/3.6=1 HG2 MET 74 - HB3 LYS 68 lone 4 83 - 5 - HG3 GLU 95 - HB3 LYS 39 lone 3 49 - 6 - 8955/4.0=1 HG3 GLU 95 - HB3 LYS 68 lone 2 77 - 3 - HG3 GLU 95 - HB3 LYS 12 lone 2 61 - 3 - HG3 GLU 95 - HB2 LYS 12 lone 2 52 - 3 - Peak 12172 from cnoeabs.peaks (1.34, 0.62, 13.70 ppm; 3.77 A): 5 out of 11 assignments used, quality = 0.92: HG LEU 14 + QD1 ILE 7 OK 62 94 - 66 - 3.0/247=12, 2.1/10272=11...(28) HB3 LEU 2 + QD1 ILE 7 OK 60 96 - 63 - 66/2.1=8, 1.8/8286=7...(27) HG2 LYS 39 + QD1 ILE 7 OK 22 99 - 22 - 10569/3.0=3, 1.8/277=2...(9) HB2 LYS 82 + QD1 ILE 7 OK 22 100 - 21 - 2.9/8279=6, 4.6/10380=4, ~8280=3 QB ALA 89 + QD1 ILE 7 OK 12 100 - 12 - 9940/10378=3...(3) QB ALA 67 - QD1 ILE 7 lone 9 99 - 9 - 2.9/9521=3 HB3 LEU 27 - QD1 ILE 7 lone 7 100 - 7 - HG3 LYS 68 - QD1 ILE 7 lone 6 96 - 7 - QB ALA 25 - QD1 ILE 7 lone 5 100 - 5 - HG2 LYS 94 - QD1 ILE 7 lone 4 100 - 4 - HG3 LYS 40 - QD1 ILE 7 lone 2 65 - 3 - Peak 12173 from cnoeabs.peaks (2.01, 3.85, 55.10 ppm; 4.52 A): 6 out of 18 assignments used, quality = 0.90: QE MET 74 + HA ALA 71 OK 50 82 - 61 - 3.4/9552=13, 3.4/9551=12...(11) HB3 LYS 94 + HA ALA 71 OK 30 74 - 41 - 4197/3.0=7, 3.5/10836=5...(13) HB2 GLU 44 + HA ALA 71 OK 30 80 - 38 - ~2030=5, 2008/3.0=4...(14) HB3 GLU 44 + HA ALA 71 OK 30 80 - 38 - ~2030=5, 2008/3.0=4...(14) QE MET 74 + HA ALA 67 OK 23 63 - 36 - 9603/2.1=10, 3.4/9611=5...(8) HB3 LYS 94 + HA ALA 67 OK 22 56 - 39 - 4201/2.1=4, 2.9/2979=4...(18) HB2 GLU 35 - HA ALA 71 lone 9 90 - 10 - 1.8/10279=1 HB2 GLU 35 - HA ALA 67 lone 6 71 - 9 - 1540/3.6=2, 4.7/2977=1 HB3 MET 1 - HA ALA 71 lone 5 84 - 6 - HB3 GLU 17 - HA ALA 71 lone 4 90 - 5 - HB3 GLU 44 - HA ALA 67 lone 4 61 - 6 - 3.9/6700=1 HB2 GLU 44 - HA ALA 67 lone 4 61 - 6 - 3.9/6700=1 HB2 GLN 50 - HA ALA 71 lone 3 71 - 4 - ~9568=2 HB3 GLU 17 - HA ALA 67 lone 3 70 - 4 - HB3 MET 1 - HA ALA 67 lone 3 65 - 4 - ~8009=1 HB2 GLN 50 - HA ALA 67 lone 2 54 - 4 - 4.6/9108=1 HB2 GLU 62 - HA ALA 71 lone 2 89 - 3 - HB2 GLU 62 - HA ALA 67 lone 2 69 - 3 - Peak 12175 from cnoeabs.peaks (2.54, 1.41, 18.50 ppm; 5.17 A): 2 out of 3 assignments used, quality = 0.98: HG3 GLN 72 + QB ALA 71 OK 92 100 - 92 - 12298=43, 3.0/10842=34...(13) HG2 MET 74 + QB ALA 71 OK 71 84 - 84 - 4.0/10871=25, ~9552=19...(18) HG3 GLU 95 - QB ALA 71 OK 19 77 - 25 - 7175/3.6=8, 3187/5.0=5...(6) Peak 12176 from cnoeabs.peaks (0.80, 1.41, 18.50 ppm; 3.49 A): 4 out of 8 assignments used, quality = 0.82: QD2 LEU 70 + QB ALA 71 OK 45 97 - 47 - 3173/2.9=7, ~3149=5...(17) QD1 ILE 76 + QB ALA 71 OK 38 100 - 38 - ~10837=11, 3.2/10834=8...(7) QD1 LEU 70 + QB ALA 71 OK 36 77 - 46 - 7163/2.9=5, ~3173=5...(17) QG2 ILE 15 + QB ALA 71 OK 17 94 - 18 - 10121/2.1=4, 7163/2.9=2...(7) QG2 ILE 7 - QB ALA 71 lone 7 100 - 7 - QD2 LEU 2 - QB ALA 71 lone 5 96 - 5 - 12305/5.0=1 QD2 LEU 57 - QB ALA 71 lone 3 99 - 3 - QG2 ILE 8 - QB ALA 71 lone 3 81 - 4 - Peak 12177 from cnoeabs.peaks (7.44, 2.16, 28.10 ppm; 6.50 A): 1 out of 4 assignments used, quality = 0.98: HE22 GLN 72 + HB2 GLN 72 OK 98 98 - 100 - 4.4=100 HE3 TRP 92 - HB2 GLN 72 OK 32 85 - 38 - 14641=11, 3225/3.0=8...(7) HE ARG 19 - HB2 GLN 72 OK 12 87 - 13 - 3225/3.0=4, 12179/1.8=3 H ALA 89 - HB2 GLN 72 poor 9 65 - 13 - 3225/3.0=3, 12179/1.8=2...(4) Peak 12179 from cnoeabs.peaks (7.44, 2.23, 28.10 ppm; 6.50 A): 3 out of 4 assignments used, quality = 0.94: HE22 GLN 72 + HB3 GLN 72 OK 91 91 - 100 - 4.4=100 HE3 TRP 92 + HB3 GLN 72 OK 24 77 - 31 - 9982/1.8=11, 3225/3.0=8...(5) HE ARG 19 + HB3 GLN 72 OK 11 80 - 13 - 3225/3.0=4, 12177/1.8=3 H ALA 89 - HB3 GLN 72 poor 8 58 - 13 - 3225/3.0=3, 12177/1.8=3...(5) Peak 12181 from cnoeabs.peaks (2.16, 1.49, 25.00 ppm; 4.84 A): 5 out of 27 assignments used, quality = 0.87: HB2 GLN 72 + HG2 LYS 47 OK 55 100 - 55 - 1.8/12182=13, ~10841=12...(14) HB2 GLN 72 + HG2 LYS 73 OK 50 99 - 51 - 3199/4.9=18...(13) HB3 GLU 95 + HG2 LYS 73 OK 18 99 - 18 - 12183/1.8=4, 7198/4.9=4...(4) HB2 GLN 72 + HG3 LYS 13 OK 16 80 - 21 - 1.8/12182=4, 4.6/7207=3...(6) HB3 GLU 23 + HG2 LYS 47 OK 13 97 - 13 - ~2169=2, 10461=2...(4) HB3 GLU 16 - HG2 LYS 73 poor 10 98 - 10 - 12183/1.8=2, 7198/4.9=2, ~9582=1 HB3 GLU 16 - HG3 LYS 13 poor 9 78 - 12 - 703/3.9=5, 710/4.8=3 HG2 GLU 75 - HG2 LYS 73 poor 9 85 - 11 - 9621/4.1=2, 7198/4.9=2...(5) HB3 GLU 23 - HG2 LYS 73 lone 8 96 - 9 - 12183/1.8=2, 7198/4.9=2 HG3 GLU 75 - HG2 LYS 73 poor 8 79 - 10 - 9621/4.1=2, 7198/4.9=2...(5) HB3 GLU 16 - HG2 LYS 47 lone 7 99 - 7 - 703/3.9=1 HB3 GLU 23 - HG3 LYS 13 lone 6 75 - 8 - 1029/3.9=1, ~10459=1, ~518=1 HG2 GLU 88 - HG2 LYS 47 lone 5 61 - 9 - 4.2/3870=4 HG2 GLU 75 - HG3 LYS 13 lone 5 64 - 7 - 9621/3.9=2, 3395/4.8=2 HB3 GLN 50 - HG2 LYS 73 lone 5 79 - 6 - 7198/4.9=2 HG2 GLU 88 - HG2 LYS 73 lone 4 60 - 7 - 4.2/3870=2 HG3 GLU 75 - HG3 LYS 13 lone 4 58 - 7 - 9621/3.9=2, 3395/4.8=2 HB3 GLN 50 - HG2 LYS 47 lone 4 80 - 5 - 4.5/2167=1 HB3 GLU 95 - HG2 LYS 47 lone 3 100 - 3 - HG2 GLU 88 - HG3 LYS 13 lone 3 43 - 6 - 4.2/3870=4 HG2 GLU 75 - HG2 LYS 47 lone 3 86 - 3 - HG3 GLU 75 - HG2 LYS 47 lone 2 80 - 3 - HB3 GLU 95 - HG3 LYS 13 lone 2 80 - 3 - HG2 GLU 104 - HG2 LYS 73 lone 2 82 - 2 - HG2 GLU 104 - HG2 LYS 47 lone 2 83 - 2 - HB3 GLN 50 - HG3 LYS 13 lone 2 58 - 3 - HG2 GLU 104 - HG3 LYS 13 lone 1 61 - 2 - Peak 12182 from cnoeabs.peaks (2.23, 1.49, 25.00 ppm; 4.73 A): 5 out of 12 assignments used, quality = 0.86: HB3 GLN 72 + HG2 LYS 47 OK 53 99 - 54 - 10841/1.8=15...(12) HB3 GLN 72 + HG2 LYS 73 OK 50 98 - 52 - 7199/4.9=20, 1.8/12181=7...(14) HG2 GLU 17 + HG2 LYS 73 OK 20 79 - 26 - 7199/4.9=6, 1.8/10183=4...(10) HB3 GLN 72 + HG3 LYS 13 OK 15 78 - 19 - 4.6/7207=3, 3201/3.9=3...(6) HG2 GLU 17 + HG3 LYS 13 OK 12 58 - 21 - 11024/3.8=3, 11024/3.8=3...(8) HG2 GLU 17 - HG2 LYS 47 lone 7 80 - 9 - 1.8/10183=2 HG2 GLU 99 - HG2 LYS 73 lone 3 92 - 4 - 7199/4.9=1 HG2 GLU 99 - HG2 LYS 47 lone 2 94 - 2 - HG2 GLU 99 - HG3 LYS 13 lone 1 71 - 2 - HG2 GLU 98 - HG2 LYS 73 lone 1 75 - 2 - HG2 GLU 98 - HG2 LYS 47 lone 1 77 - 1 - HG2 GLU 98 - HG3 LYS 13 lone 1 55 - 1 - Peak 12183 from cnoeabs.peaks (2.16, 1.60, 25.00 ppm; 5.56 A): 7 out of 18 assignments used, quality = 0.86: HB2 GLN 72 + HG3 LYS 73 OK 62 99 - 63 - 3199/4.9=23, ~12182=11...(17) HB3 GLU 95 + HG3 LYS 73 OK 26 99 - 26 - 3.0/9581=6, 7198/4.9=5...(9) HG2 GLU 75 + HG3 LYS 73 OK 13 85 - 16 - 4.0/9581=3, 9621/4.1=3...(6) HB2 GLN 72 + HG3 LYS 12 OK 13 86 - 15 - 4.6/3271=4, ~12167=2...(5) HB3 GLU 16 + HG3 LYS 73 OK 13 98 - 13 - 7198/4.9=2, 12181/1.8=2...(4) HG3 GLU 75 + HG3 LYS 73 OK 12 79 - 15 - 4.0/9581=3, 9621/4.1=3...(6) HB3 GLU 23 + HG3 LYS 73 OK 12 96 - 13 - 7198/4.9=2, 4.0/10458=2...(4) HB3 GLU 23 - HG3 LYS 12 poor 9 81 - 10 - 4.0/10458=2, ~10459=1...(4) HG2 GLU 104 - HG3 LYS 12 poor 8 67 - 11 - ~4545=2, 4538/3.0=2...(4) HB3 GLU 95 - HG3 LYS 12 lone 7 86 - 8 - 3.0/9581=2, 4.0/7535=2 HB3 GLN 50 - HG3 LYS 73 lone 6 79 - 7 - 7198/4.9=2 HG2 GLU 88 - HG3 LYS 73 lone 5 60 - 8 - HG2 GLU 75 - HG3 LYS 12 lone 4 70 - 6 - 4.0/9581=2, 5.0/436=1 HB3 GLN 50 - HG3 LYS 12 lone 4 64 - 6 - 4.0/426=2 HB3 GLU 16 - HG3 LYS 12 lone 4 84 - 5 - HG3 GLU 75 - HG3 LYS 12 lone 4 64 - 6 - 4.0/9581=2, 5.0/436=1 HG2 GLU 104 - HG3 LYS 73 lone 3 82 - 3 - HG2 GLU 88 - HG3 LYS 12 lone 2 47 - 3 - Peak 12185 from cnoeabs.peaks (2.53, 1.96, 32.30 ppm; 4.81 A): 4 out of 20 assignments used, quality = 0.98: HG2 MET 74 + HB2 LYS 73 OK 71 97 - 73 - 7228/4.6=16, 7201/4.1=9...(20) HG2 MET 74 + HB3 LYS 73 OK 69 95 - 73 - 7228/4.6=16, 7201/4.1=9...(20) HG3 GLN 72 + HB2 LYS 73 OK 49 93 - 53 - 7201/4.1=15, 7228/4.6=8...(14) HG3 GLN 72 + HB3 LYS 73 OK 48 90 - 53 - 7201/4.1=15, 7228/4.6=8...(14) HG2 MET 74 - HB2 LYS 24 OK 31 86 - 36 - 1.8/12186=4, 3353=3...(13) HG2 MET 74 - HB3 LYS 24 OK 31 86 - 36 - 1.8/12186=4, 3353=3...(13) HG3 GLN 72 - HB2 LYS 47 OK 22 64 - 35 - ~10841=7, ~12182=6...(11) HG3 GLU 95 - HB2 LYS 73 OK 20 96 - 21 - 7201/4.1=6, 7228/4.6=5...(5) HG3 GLU 95 - HB3 LYS 73 OK 19 93 - 21 - 7201/4.1=6, 7228/4.6=5...(5) HG2 MET 74 - HB2 LYS 47 poor 9 69 - 13 - 3.4/3369=2, 3353=1...(4) HG3 GLU 63 - HB2 LYS 73 lone 4 73 - 5 - 7228/4.6=2 HG3 GLN 72 - HB3 LYS 24 lone 4 82 - 5 - HG3 GLN 72 - HB2 LYS 24 lone 4 82 - 5 - HG3 GLU 63 - HB3 LYS 73 lone 4 69 - 5 - 7228/4.6=2 HG3 GLU 95 - HB2 LYS 24 lone 3 85 - 3 - HG3 GLU 95 - HB3 LYS 24 lone 3 85 - 3 - HG3 GLU 63 - HB3 LYS 24 lone 3 61 - 4 - 2799/4.4=2 HG3 GLU 63 - HB2 LYS 24 lone 3 61 - 4 - 2799/4.4=2 HG3 GLU 95 - HB2 LYS 47 lone 2 67 - 3 - HG3 GLU 63 - HB2 LYS 47 lone 2 47 - 4 - ~8479=1 Peak 12186 from cnoeabs.peaks (2.62, 1.96, 32.30 ppm; 5.38 A): 3 out of 15 assignments used, quality = 0.95: HG3 MET 74 + HB2 LYS 73 OK 74 97 - 76 - 7229/4.6=24...(22) HG3 MET 74 + HB3 LYS 73 OK 72 95 - 76 - 7229/4.6=24...(22) HG3 MET 74 + HB3 LYS 24 OK 34 86 - 39 - 1.8/12185=4, 2.9/3337=4...(13) HG3 MET 74 - HB2 LYS 24 OK 34 86 - 39 - 1.8/12185=4, 2.9/3337=4...(13) HG3 MET 74 - HB2 LYS 47 OK 10 69 - 15 - 3.4/3369=2, 1.8/3353=1...(7) HB3 ASP 77 - HB2 LYS 73 OK 10 73 - 14 - 7229/4.6=8, 4.4/3248=2 HB3 ASP 77 - HB3 LYS 73 poor 10 69 - 14 - 7229/4.6=8, 4.4/3248=2 HB3 TYR 41 - HB2 LYS 47 poor 9 38 - 24 - ~10615=6, ~2145=5...(5) HB3 TYR 41 - HB2 LYS 73 poor 7 61 - 11 - 7229/4.6=4, ~10616=2 HB3 TYR 41 - HB3 LYS 73 poor 6 58 - 11 - 7229/4.6=4, ~10616=2 HB3 TYR 41 - HB3 LYS 24 lone 3 51 - 5 - HB3 TYR 41 - HB2 LYS 24 lone 3 51 - 5 - HB3 ASP 77 - HB2 LYS 24 lone 2 61 - 4 - HB3 ASP 77 - HB3 LYS 24 lone 2 61 - 4 - HB3 ASP 77 - HB2 LYS 47 lone 1 47 - 3 - Peak 12187 from cnoeabs.peaks (2.53, 1.96, 32.30 ppm; 4.81 A): 4 out of 20 assignments used, quality = 0.98: HG2 MET 74 + HB2 LYS 73 OK 71 97 - 73 - 7228/4.6=16, 7201/4.1=9...(20) HG2 MET 74 + HB3 LYS 73 OK 69 95 - 73 - 7228/4.6=16, 7201/4.1=9...(20) HG3 GLN 72 + HB2 LYS 73 OK 49 93 - 53 - 7201/4.1=15, 7228/4.6=8...(14) HG3 GLN 72 + HB3 LYS 73 OK 48 90 - 53 - 7201/4.1=15, 7228/4.6=8...(14) HG2 MET 74 - HB2 LYS 24 OK 31 86 - 36 - 1.8/12186=4, 3353=3...(13) HG2 MET 74 - HB3 LYS 24 OK 31 86 - 36 - 1.8/12186=4, 3353=3...(13) HG3 GLN 72 - HB2 LYS 47 OK 22 64 - 35 - ~10841=7, ~12182=6...(11) HG3 GLU 95 - HB2 LYS 73 OK 20 96 - 21 - 7201/4.1=6, 7228/4.6=5...(5) HG3 GLU 95 - HB3 LYS 73 OK 19 93 - 21 - 7201/4.1=6, 7228/4.6=5...(5) HG2 MET 74 - HB2 LYS 47 poor 9 69 - 13 - 3.4/3369=2, 3353=1...(4) HG3 GLU 63 - HB2 LYS 73 lone 4 73 - 5 - 7228/4.6=2 HG3 GLN 72 - HB3 LYS 24 lone 4 82 - 5 - HG3 GLN 72 - HB2 LYS 24 lone 4 82 - 5 - HG3 GLU 63 - HB3 LYS 73 lone 4 69 - 5 - 7228/4.6=2 HG3 GLU 95 - HB2 LYS 24 lone 3 85 - 3 - HG3 GLU 95 - HB3 LYS 24 lone 3 85 - 3 - HG3 GLU 63 - HB3 LYS 24 lone 3 61 - 4 - 2799/4.4=2 HG3 GLU 63 - HB2 LYS 24 lone 3 61 - 4 - 2799/4.4=2 HG3 GLU 95 - HB2 LYS 47 lone 2 67 - 3 - HG3 GLU 63 - HB2 LYS 47 lone 2 47 - 4 - ~8479=1 Peak 12188 from cnoeabs.peaks (2.62, 1.96, 32.30 ppm; 5.38 A): 3 out of 15 assignments used, quality = 0.95: HG3 MET 74 + HB2 LYS 73 OK 74 97 - 76 - 7229/4.6=24...(22) HG3 MET 74 + HB3 LYS 73 OK 72 95 - 76 - 7229/4.6=24...(22) HG3 MET 74 + HB3 LYS 24 OK 34 86 - 39 - 1.8/12185=4, 2.9/3337=4...(13) HG3 MET 74 - HB2 LYS 24 OK 34 86 - 39 - 1.8/12185=4, 2.9/3337=4...(13) HG3 MET 74 - HB2 LYS 47 OK 10 69 - 15 - 3.4/3369=2, 1.8/3353=1...(7) HB3 ASP 77 - HB2 LYS 73 OK 10 73 - 14 - 7229/4.6=8, 4.4/3248=2 HB3 ASP 77 - HB3 LYS 73 poor 10 69 - 14 - 7229/4.6=8, 4.4/3248=2 HB3 TYR 41 - HB2 LYS 47 poor 9 38 - 24 - ~10615=6, ~2145=5...(5) HB3 TYR 41 - HB2 LYS 73 poor 7 61 - 11 - 7229/4.6=4, ~10616=2 HB3 TYR 41 - HB3 LYS 73 poor 6 58 - 11 - 7229/4.6=4, ~10616=2 HB3 TYR 41 - HB3 LYS 24 lone 3 51 - 5 - HB3 TYR 41 - HB2 LYS 24 lone 3 51 - 5 - HB3 ASP 77 - HB2 LYS 24 lone 2 61 - 4 - HB3 ASP 77 - HB3 LYS 24 lone 2 61 - 4 - HB3 ASP 77 - HB2 LYS 47 lone 1 47 - 3 - Peak 12193 from cnoeabs.peaks (1.37, 2.01, 17.30 ppm; 4.04 A): 0 out of 5 assignments used, low quality = 0.18: HB2 LEU 70 - QE MET 74 OK 18 65 - 28 - 10276=5, 3.0/10282=5...(8) HG12 ILE 8 - QE MET 74 lone 6 58 - 10 - 1.8/10868=2, ~9615=2, ~9598=1 HG3 LYS 94 - QE MET 74 lone 4 55 - 7 - 1.8/9603=2, ~9597=1 HG3 LYS 40 - QE MET 74 lone 4 50 - 8 - 1.8/10579=2, 3.8/9610=2 HB3 ARG 30 - QE MET 74 lone 3 65 - 5 - 8718/10342=1 Peak 12194 from cnoeabs.peaks (3.07, 5.19, 58.80 ppm; 5.90 A): 2 out of 7 assignments used, quality = 0.95: HD2 ARG 79 + HA VAL 78 OK 78 99 - 79 - 5.8/7284=36, 12196=25...(10) HD3 ARG 79 + HA VAL 78 OK 78 99 - 79 - 5.8/7284=36, 12196=25...(10) HD3 ARG 30 - HA VAL 78 OK 13 82 - 16 - 7294/3.6=10, 3.0/9689=1 HB3 ASN 26 - HA VAL 78 lone 7 98 - 7 - 8631/3.2=1, 7293/3.6=1, ~8629=1 HB3 ASN 60 - HA VAL 78 lone 3 85 - 3 - HB3 HIS 105 - HA VAL 78 lone 2 97 - 2 - HB3 HIS 106 - HA VAL 78 lone 2 68 - 2 - Peak 12195 from cnoeabs.peaks (3.07, 5.19, 58.80 ppm; 5.90 A): 2 out of 7 assignments used, quality = 0.95: HD2 ARG 79 + HA VAL 78 OK 78 99 - 79 - 5.8/7284=36, 12196=25...(10) HD3 ARG 79 + HA VAL 78 OK 78 99 - 79 - 5.8/7284=36, 12196=25...(10) HD3 ARG 30 - HA VAL 78 OK 13 82 - 16 - 7294/3.6=10, 3.0/9689=1 HB3 ASN 26 - HA VAL 78 lone 7 98 - 7 - 8631/3.2=1, 7293/3.6=1, ~8629=1 HB3 ASN 60 - HA VAL 78 lone 3 85 - 3 - HB3 HIS 105 - HA VAL 78 lone 2 97 - 2 - HB3 HIS 106 - HA VAL 78 lone 2 68 - 2 - Peak 12196 from cnoeabs.peaks (5.19, 3.07, 43.10 ppm; 4.88 A): 2 out of 2 assignments used, quality = 0.84: HA VAL 78 + HD2 ARG 79 OK 60 100 - 61 - 7284/5.8=25, 12195=12...(10) HA VAL 78 + HD3 ARG 79 OK 59 98 - 60 - 7284/5.8=25, 12195=12...(10) Peak 12197 from cnoeabs.peaks (5.19, 3.07, 43.10 ppm; 4.88 A): 2 out of 2 assignments used, quality = 0.84: HA VAL 78 + HD2 ARG 79 OK 60 100 - 61 - 7284/5.8=25, 12195=12...(10) HA VAL 78 + HD3 ARG 79 OK 59 98 - 60 - 7284/5.8=25, 12195=12...(10) Peak 12198 from cnoeabs.peaks (4.67, 1.53, 26.80 ppm; 4.25 A): 5 out of 8 assignments used, quality = 0.82: HA LEU 55 + HG2 ARG 79 OK 40 95 - 42 - 11117/4.7=12, 4.0/9251=7...(9) HA LEU 55 + HG3 ARG 79 OK 38 91 - 42 - 11117/4.7=12, 4.0/9251=6...(9) HA LEU 27 + HG2 ARG 79 OK 23 58 - 40 - 12329/3.0=10...(9) HA LEU 27 + HG3 ARG 79 OK 22 54 - 40 - 12329/3.0=10...(9) HA LEU 55 + HG LEU 6 OK 19 80 - 24 - 8217/5.3=8, 3.6/6924=4...(7) HA LEU 55 - HG3 ARG 30 lone 6 65 - 9 - 4.0/9251=1, 2.9/10659=1...(4) HA LEU 27 - HG3 ARG 30 lone 3 36 - 10 - 1187/4.0=1 HA LEU 27 - HG LEU 6 lone 3 45 - 7 - Peak 12199 from cnoeabs.peaks (4.67, 1.53, 26.80 ppm; 4.25 A): 5 out of 8 assignments used, quality = 0.82: HA LEU 55 + HG2 ARG 79 OK 40 95 - 42 - 11117/4.7=12, 4.0/9251=7...(9) HA LEU 55 + HG3 ARG 79 OK 38 91 - 42 - 11117/4.7=12, 4.0/9251=6...(9) HA LEU 27 + HG2 ARG 79 OK 23 58 - 40 - 12329/3.0=10...(9) HA LEU 27 + HG3 ARG 79 OK 22 54 - 40 - 12329/3.0=10...(9) HA LEU 55 + HG LEU 6 OK 19 80 - 24 - 8217/5.3=8, 3.6/6924=4...(7) HA LEU 55 - HG3 ARG 30 lone 6 65 - 9 - 4.0/9251=1, 2.9/10659=1...(4) HA LEU 27 - HG3 ARG 30 lone 3 36 - 10 - 1187/4.0=1 HA LEU 27 - HG LEU 6 lone 3 45 - 7 - Peak 12200 from cnoeabs.peaks (1.94, 0.71, 13.70 ppm; 3.56 A): 6 out of 22 assignments used, quality = 0.88: HB VAL 32 + QD1 ILE 8 OK 49 100 - 49 - 12055/4.1=12, 10518=11...(8) HB3 ARG 19 + QD1 ILE 8 OK 34 89 - 38 - 12205/3.0=7, 12204/2.1=6...(13) HB3 LYS 20 + QD1 ILE 8 OK 32 98 - 33 - 12204/2.1=6, 12205/3.0=6...(10) HB VAL 32 + QD1 ILE 56 OK 25 95 - 26 - 10518=5, ~10674=5...(7) HB2 GLU 17 + QD1 ILE 8 OK 18 100 - 18 - 12204/2.1=3, 12203/2.1=3...(5) HB3 ARG 19 + QD1 ILE 56 OK 15 81 - 18 - 804/3.2=3, ~794=2...(8) HB2 LYS 94 - QD1 ILE 8 poor 9 65 - 13 - 3.0/8306=2, 12203/2.1=1...(4) HB2 MET 1 - QD1 ILE 8 lone 8 100 - 8 - 12203/2.1=1, 12204/2.1=1 HB3 LYS 73 - QD1 ILE 8 poor 7 73 - 10 - 4.6/9593=2, 12204/2.1=1...(5) HB2 LYS 73 - QD1 ILE 8 poor 7 69 - 10 - 4.6/9593=2, 12204/2.1=1...(5) HG3 GLU 88 - QD1 ILE 56 lone 6 94 - 6 - 9914/10682=4 HG3 GLU 88 - QD1 ILE 8 lone 5 100 - 5 - HB3 LYS 20 - QD1 ILE 56 lone 4 91 - 5 - HB3 ARG 46 - QD1 ILE 8 lone 4 61 - 7 - HB2 GLU 17 - QD1 ILE 56 lone 4 95 - 4 - HB3 LYS 47 - QD1 ILE 8 lone 4 73 - 6 - 4.7/9036=2 HB2 MET 1 - QD1 ILE 56 lone 2 95 - 2 - HB2 LYS 94 - QD1 ILE 56 lone 2 58 - 3 - HB3 LYS 73 - QD1 ILE 56 lone 2 65 - 3 - 4.6/9593=1 HB2 LYS 73 - QD1 ILE 56 lone 2 62 - 3 - 4.6/9593=1 HB3 LYS 47 - QD1 ILE 56 lone 1 65 - 2 - HB3 ARG 46 - QD1 ILE 56 lone 1 54 - 2 - Peak 12201 from cnoeabs.peaks (1.46, 0.71, 13.70 ppm; 3.74 A): 10 out of 28 assignments used, quality = 0.88: HG13 ILE 52 + QD1 ILE 8 OK 35 100 - 35 - ~10640=5, 2369/3.0=3...(16) HG2 LYS 20 + QD1 ILE 8 OK 26 100 - 26 - 3.0/12200=4, ~12204=3...(10) HB2 LEU 38 + QD1 ILE 56 OK 19 92 - 21 - 8856=3, 3.8/8851=3...(8) HB2 LEU 38 + QD1 ILE 8 OK 19 99 - 19 - 8856=4, 1.8/8857=3...(6) HB2 LEU 27 + QD1 ILE 56 OK 18 94 - 19 - ~9317=3, ~9316=2...(9) HD2 LYS 82 + QD1 ILE 56 OK 17 95 - 18 - 3.5/2595=3, 3.5/10681=3...(8) HG LEU 38 + QD1 ILE 8 OK 15 100 - 15 - 3.0/12202=3, 3.0/8856=3...(4) HG LEU 38 + QD1 ILE 56 OK 14 95 - 15 - 3.0/12202=3, 3.0/8856=3...(7) HD2 LYS 40 + QD1 ILE 8 OK 12 99 - 12 - 5.2/8306=1, 3.0/325=1 HD3 LYS 40 + QD1 ILE 8 OK 12 99 - 12 - 5.2/8306=1, 3.0/325=1 HG13 ILE 52 - QD1 ILE 56 lone 9 94 - 10 - 10195/10682=1, 3.2/324=1 HB2 LEU 27 - QD1 ILE 8 lone 9 100 - 9 - HG3 LYS 39 - QD1 ILE 8 lone 6 61 - 10 - 3.9/8953=1 HD2 LYS 40 - QD1 ILE 56 lone 5 93 - 6 - HD3 LYS 40 - QD1 ILE 56 lone 5 92 - 6 - HG3 LYS 39 - QD1 ILE 56 lone 5 54 - 10 - 3.9/8953=1, 1.8/10681=1 HD2 LYS 82 - QD1 ILE 8 lone 4 100 - 4 - HG2 LYS 53 - QD1 ILE 8 lone 3 100 - 3 - HG2 LYS 20 - QD1 ILE 56 lone 3 94 - 3 - HD2 LYS 53 - QD1 ILE 8 lone 3 100 - 3 - HG3 LYS 53 - QD1 ILE 8 lone 3 95 - 3 - HG2 LYS 12 - QD1 ILE 8 lone 3 77 - 3 - HD2 LYS 53 - QD1 ILE 56 lone 2 95 - 2 - HG2 LYS 53 - QD1 ILE 56 lone 2 94 - 2 - HG3 ARG 91 - QD1 ILE 8 lone 2 95 - 2 - HG2 LYS 12 - QD1 ILE 56 lone 2 69 - 3 - HG3 LYS 53 - QD1 ILE 56 lone 2 88 - 2 - HG3 ARG 91 - QD1 ILE 56 lone 1 88 - 2 - Peak 12202 from cnoeabs.peaks (2.07, 0.71, 13.70 ppm; 4.99 A): 8 out of 20 assignments used, quality = 0.87: HB3 GLU 43 + QD1 ILE 8 OK 38 98 - 39 - 3.0/10607=9, 10608/3.0=6...(12) HB3 LEU 38 + QD1 ILE 56 OK 33 95 - 35 - 8857=6, 3.8/8851=6...(10) HB3 LEU 38 + QD1 ILE 8 OK 33 100 - 33 - 8857=6, 1.8/8856=5...(9) HB2 MET 74 + QD1 ILE 8 OK 16 95 - 17 - 4.0/9593=4, 2.9/9615=2...(5) HB3 GLU 43 + QD1 ILE 56 OK 15 91 - 16 - 3.0/10607=3, 4.4/8975=2...(5) HB2 GLU 16 + QD1 ILE 8 OK 13 99 - 14 - ~10421=2, ~8310=2...(5) HB3 GLU 88 + QD1 ILE 56 OK 13 90 - 15 - 9917/10682=4, 4.3/9925=2...(6) HB3 GLU 35 + QD1 ILE 8 OK 13 91 - 14 - 2.9/8308=2, 2.9/8308=2...(5) HB3 GLU 35 - QD1 ILE 56 poor 10 84 - 11 - 4.0/2593=2, 1541/5.0=2...(4) HB3 GLU 88 - QD1 ILE 8 lone 8 97 - 8 - HB2 MET 74 - QD1 ILE 56 lone 7 88 - 8 - 4.0/9593=2 HB3 GLU 62 - QD1 ILE 8 lone 5 65 - 8 - 4.6/9457=3, 4.0/10740=2 HB3 GLU 62 - QD1 ILE 56 lone 4 58 - 8 - 4.6/9457=3, 4.0/10740=3 HB2 GLU 16 - QD1 ILE 56 lone 4 92 - 4 - HG2 GLU 28 - QD1 ILE 8 lone 3 97 - 3 - 5.0/328=1 HG3 GLU 28 - QD1 ILE 8 lone 3 97 - 3 - 5.0/328=1 HB2 GLU 23 - QD1 ILE 8 lone 2 73 - 3 - HG3 GLU 28 - QD1 ILE 56 lone 2 90 - 2 - HG2 GLU 28 - QD1 ILE 56 lone 2 90 - 2 - HB2 GLU 23 - QD1 ILE 56 lone 2 65 - 3 - Peak 12203 from cnoeabs.peaks (1.94, 0.89, 26.30 ppm; 3.94 A): 4 out of 11 assignments used, quality = 0.83: HB VAL 32 + HG13 ILE 8 OK 50 98 - 51 - 12055/4.1=14...(7) HB3 ARG 19 + HG13 ILE 8 OK 37 85 - 44 - 12204/1.8=8, 12205/3.1=7...(15) HB3 LYS 20 + HG13 ILE 8 OK 35 95 - 37 - 12204/1.8=7, 12205/3.1=6...(13) HB2 GLU 17 + HG13 ILE 8 OK 17 98 - 18 - 12204/1.8=4, 12200/2.1=3...(4) HB2 MET 1 - HG13 ILE 8 lone 9 98 - 9 - 12204/1.8=2, 12205/3.1=2...(4) HB2 LYS 94 - HG13 ILE 8 poor 9 61 - 14 - 12204/1.8=2, 12205/3.1=1...(6) HB3 LYS 73 - HG13 ILE 8 poor 7 69 - 10 - ~10850=2, 12204/1.8=2...(6) HB2 LYS 73 - HG13 ILE 8 poor 7 65 - 10 - ~10850=2, 12204/1.8=2...(6) HB3 ARG 46 - HG13 ILE 8 lone 6 58 - 10 - 4.0/10614=2, 3.6/9019=1 HB3 LYS 47 - HG13 ILE 8 lone 5 69 - 7 - 4.7/9034=3 HG3 GLU 88 - HG13 ILE 8 lone 4 97 - 4 - Peak 12204 from cnoeabs.peaks (1.94, 1.36, 26.30 ppm; 3.77 A): 4 out of 11 assignments used, quality = 0.84: HB VAL 32 + HG12 ILE 8 OK 54 99 - 55 - 12055/4.1=13, 10338=11...(7) HB3 ARG 19 + HG12 ILE 8 OK 36 88 - 41 - 12203/1.8=7, 12205/3.1=7...(16) HB3 LYS 20 + HG12 ILE 8 OK 34 97 - 35 - 12203/1.8=7, 12205/3.1=6...(13) HB2 GLU 17 + HG12 ILE 8 OK 18 99 - 18 - 12203/1.8=3, 12200/2.1=3...(5) HB2 MET 1 - HG12 ILE 8 lone 8 99 - 8 - 12203/1.8=2, 12205/3.1=1 HB2 LYS 94 - HG12 ILE 8 poor 8 64 - 12 - 12203/1.8=2, 12205/3.1=1...(4) HB3 LYS 73 - HG12 ILE 8 poor 7 71 - 10 - ~10850=2, 12203/1.8=1...(5) HB2 LYS 73 - HG12 ILE 8 poor 7 68 - 10 - ~10850=2, 4.1/9576=1...(5) HB3 ARG 46 - HG12 ILE 8 lone 4 60 - 6 - 12203/1.8=1 HG3 GLU 88 - HG12 ILE 8 lone 4 99 - 4 - HB3 LYS 47 - HG12 ILE 8 lone 3 71 - 4 - Peak 12205 from cnoeabs.peaks (1.94, 0.79, 17.50 ppm; 3.26 A): 4 out of 11 assignments used, quality = 0.73: HB VAL 32 + QG2 ILE 8 OK 41 95 - 43 - 12055/3.2=12, 12056=10...(8) HB3 ARG 19 + QG2 ILE 8 OK 30 81 - 37 - 3.0/8519=4, 12204/3.1=4...(18) HB3 LYS 20 + QG2 ILE 8 OK 26 91 - 28 - 12204/3.1=4, 12203/3.1=4...(10) HB2 GLU 17 + QG2 ILE 8 OK 12 95 - 12 - 12204/3.1=2, 12203/3.1=2...(6) HB2 MET 1 - QG2 ILE 8 lone 6 95 - 7 - HB2 LYS 94 - QG2 ILE 8 lone 6 58 - 10 - ~11008=2 HB3 LYS 73 - QG2 ILE 8 lone 5 65 - 8 - HB2 LYS 73 - QG2 ILE 8 lone 5 62 - 8 - HB3 ARG 46 - QG2 ILE 8 lone 4 54 - 7 - 3.0/9026=1 HB3 LYS 47 - QG2 ILE 8 lone 3 65 - 4 - 4.7/9035=1 HG3 GLU 88 - QG2 ILE 8 lone 2 94 - 2 - Peak 12206 from cnoeabs.peaks (1.53, 0.98, 22.10 ppm; 3.71 A): 3 out of 10 assignments used, quality = 0.95: HG12 ILE 56 + QG2 THR 80 OK 78 100 - 78 - 3.2/9734=29...(20) HB2 LEU 14 + QG2 THR 80 OK 64 95 - 67 - 3.1/10403=19...(16) HG2 ARG 79 + QG2 THR 80 OK 40 99 - 40 - 4.1/9711=10, 4.7/9707=8...(11) HG3 ARG 79 - QG2 THR 80 OK 39 98 - 40 - 4.1/9711=10, 4.7/9707=8...(11) HB ILE 7 - QG2 THR 80 OK 21 95 - 22 - 3.2/10373=8, 595/2.1=2...(7) HG LEU 2 - QG2 THR 80 OK 19 76 - 25 - ~8047=4, ~8046=4...(9) HB3 LEU 103 - QG2 THR 80 OK 15 96 - 16 - 4.3/9705=9, ~9723=2, ~10246=1 HG LEU 6 - QG2 THR 80 OK 15 98 - 15 - 2573/9734=2, 3.0/9730=2 HG3 ARG 30 - QG2 THR 80 OK 10 100 - 10 - 7302/4.0=3 HG2 LYS 33 - QG2 THR 80 lone 1 65 - 2 - Peak 12209 from cnoeabs.peaks (5.39, 1.06, 33.90 ppm; 6.30 A): 1 out of 1 assignment used, quality = 0.83: HA LEU 57 + HB3 ARG 81 OK 83 98 - 85 - 9334/4.0=44...(9) Peak 12212 from cnoeabs.peaks (5.81, 0.42, 25.90 ppm; 6.38 A): 0 out of 0 assignments used, low quality = 0.00: Peak 12214 from cnoeabs.peaks (3.08, 0.43, 25.90 ppm; 6.23 A): 3 out of 6 assignments used, quality = 0.95: HD3 ARG 79 + HG2 ARG 81 OK 68 99 - 69 - 3.8/9693=28, 5.8/9692=16...(12) HD2 ARG 79 + HG2 ARG 81 OK 67 98 - 69 - 3.8/9693=28, 5.8/9692=16...(12) HB3 ASN 26 + HG2 ARG 81 OK 50 90 - 56 - 3.0/3602=12, ~3611=10...(9) HD3 ARG 30 - HG2 ARG 81 OK 13 95 - 14 - 3512/9693=3, 1373/9692=3...(4) HB3 ASN 60 - HG2 ARG 81 lone 3 64 - 5 - HB3 HIS 105 - HG2 ARG 81 lone 2 85 - 3 - Peak 12215 from cnoeabs.peaks (3.19, 0.43, 25.90 ppm; 6.32 A): 2 out of 6 assignments used, quality = 0.71: HB3 TRP 92 + HG2 ARG 81 OK 67 98 - 69 - ~12216=19, 9993=18...(9) HD3 ARG 46 + HG2 ARG 81 OK 12 99 - 12 - ~9749=3, 9358/9747=2...(4) HD2 ARG 19 - HG2 ARG 81 lone 6 79 - 8 - ~9749=4 HD3 ARG 19 - HG2 ARG 81 lone 6 79 - 8 - ~9749=4 HB2 ASP 77 - HG2 ARG 81 lone 4 64 - 6 - ~9677=1, 10892/9190=1 HB2 HIS 106 - HG2 ARG 81 lone 3 97 - 3 - Peak 12216 from cnoeabs.peaks (3.10, 0.74, 25.90 ppm; 6.49 A): 2 out of 3 assignments used, quality = 0.72: HB2 TRP 92 + HG3 ARG 81 OK 55 100 - 55 - ~12215=25, ~9993=17...(7) HB2 PHE 96 + HG3 ARG 81 OK 38 100 - 38 - ~10051=10, ~10052=5...(11) HD3 ARG 30 - HG3 ARG 81 lone 4 69 - 6 - ~9695=1 Peak 12220 from cnoeabs.peaks (2.11, 1.34, 32.60 ppm; 6.18 A): 2 out of 11 assignments used, quality = 0.97: HB VAL 83 + HB2 LYS 82 OK 83 99 - 83 - 4.0/3658=35, ~9785=27...(9) HB2 LEU 64 + HB2 LYS 82 OK 83 99 - 83 - 3.1/9756=24, ~9486=22...(21) HB2 PRO 86 - HB2 LYS 82 OK 19 92 - 21 - 10958/3.5=4, 7353/4.6=4...(5) HB3 PRO 86 - HB2 LYS 82 OK 16 97 - 17 - 7353/4.6=3, 3.9/9899=2 HG3 GLU 37 - HB2 LYS 82 lone 10 99 - 10 - 7353/4.6=2, 8847/3.5=1 QE MET 21 - HB2 LYS 82 poor 9 85 - 10 - 7353/4.6=1 HB2 GLU 69 - HB2 LYS 82 lone 6 71 - 9 - 4.0/7127=1 HB3 GLU 69 - HB2 LYS 82 lone 6 71 - 9 - 4.0/7127=1 HG2 GLU 69 - HB2 LYS 82 lone 5 71 - 7 - 5.1/7127=1 HG3 GLU 104 - HB2 LYS 82 lone 5 82 - 6 - 7353/4.6=1 HB3 GLU 37 - HB2 LYS 82 lone 4 75 - 5 - Peak 12221 from cnoeabs.peaks (1.52, 2.19, 27.30 ppm; 5.02 A): 4 out of 24 assignments used, quality = 0.93: HB2 LEU 14 + HG3 PRO 86 OK 80 91 - 87 - ~9883=13, ~12017=13...(25) HG LEU 2 + HG3 PRO 86 OK 34 89 - 39 - ~9882=5, 2.1/8058=5...(17) HB2 LEU 14 + HB3 GLU 75 OK 26 93 - 28 - 594/4.1=8, 3.8/3394=3...(7) HB ILE 7 + HG3 PRO 86 OK 25 91 - 27 - 3.0/9891=5, ~9858=4...(8) HG3 LYS 24 - HG3 PRO 86 OK 20 75 - 27 - 3.7/3839=5, 1096/3.8=4...(10) HB ILE 7 - HB3 GLU 75 OK 11 93 - 12 - 594/4.1=4, ~9616=2, 12011=1 HG LEU 6 - HG3 PRO 86 OK 10 89 - 12 - 9895/3.8=2, ~9883=2...(5) HG LEU 2 - HB3 GLU 75 lone 6 91 - 6 - 2.1/8058=1 HG12 ILE 56 - HG3 PRO 86 lone 6 78 - 7 - 9895/3.8=1, 2.1/8308=1 HG3 LYS 24 - HB3 GLU 75 lone 5 76 - 7 - 1095/4.1=3 HG3 LYS 33 - HG3 PRO 86 lone 4 62 - 6 - ~10958=3 HB3 LEU 103 - HG3 PRO 86 lone 3 91 - 4 - HG LEU 57 - HG3 PRO 86 lone 3 51 - 7 - ~10215=2, ~9362=2 HG3 ARG 30 - HG3 PRO 86 lone 3 80 - 4 - HG2 ARG 79 - HG3 PRO 86 lone 3 69 - 4 - HG12 ILE 56 - HB3 GLU 75 lone 3 79 - 3 - HG LEU 6 - HB3 GLU 75 lone 2 91 - 3 - HG3 ARG 79 - HG3 PRO 86 lone 2 65 - 4 - HB3 LEU 103 - HB3 GLU 75 lone 2 92 - 2 - HG3 ARG 30 - HB3 GLU 75 lone 1 82 - 2 - HG3 LYS 33 - HB3 GLU 75 lone 1 63 - 2 - HG2 ARG 79 - HB3 GLU 75 lone 1 70 - 2 - HG3 ARG 79 - HB3 GLU 75 lone 1 67 - 1 - HG LEU 57 - HB3 GLU 75 lone 1 52 - 2 - Peak 12222 from cnoeabs.peaks (4.80, 1.81, 30.10 ppm; 4.49 A): 4 out of 8 assignments used, quality = 0.90: HA VAL 83 + HB2 GLU 88 OK 77 99 - 78 - 12223/1.8=24...(13) HA TRP 92 + HB2 GLU 88 OK 33 64 - 52 - 12223/1.8=10...(11) HA VAL 83 + HB2 GLU 104 OK 20 81 - 24 - 3.2/9816=4, 3.6/9831=4...(9) HA ASN 60 + HB2 GLU 88 OK 16 88 - 18 - 12223/1.8=4, 12336/3.0=3...(6) HA THR 34 - HB2 GLU 88 poor 8 56 - 14 - 3.6/9920=5, 12223/1.8=2...(5) HA TRP 92 - HB2 GLU 104 poor 7 47 - 15 - 6.3/12226=3, 7546/4.0=2...(6) HA ASN 60 - HB2 GLU 104 lone 3 68 - 5 - HA THR 34 - HB2 GLU 104 lone 1 41 - 3 - Peak 12223 from cnoeabs.peaks (4.80, 2.08, 30.10 ppm; 4.43 A): 3 out of 4 assignments used, quality = 0.82: HA VAL 83 + HB3 GLU 88 OK 71 96 - 74 - 3.2/9917=18...(14) HA TRP 92 + HB3 GLU 88 OK 29 61 - 48 - 6.3/12227=11...(9) HA ASN 60 + HB3 GLU 88 OK 13 85 - 15 - 12222/1.8=4, 12336/3.0=3...(5) HA THR 34 - HB3 GLU 88 poor 6 53 - 11 - 3.6/6551=3, 12337/3.0=2...(5) Peak 12224 from cnoeabs.peaks (6.87, 1.81, 30.10 ppm; 5.62 A): 4 out of 10 assignments used, quality = 0.95: HD1 TRP 92 + HB2 GLU 88 OK 89 100 - 89 - 2.6/12226=29, ~12227=26...(16) HD21 ASN 60 + HB2 GLU 88 OK 28 100 - 28 - 9934/4.3=7, 12225/1.8=7...(10) HD1 TRP 92 + HB2 GLU 104 OK 24 83 - 29 - 2.6/12226=8, 14632=4...(12) HE21 GLN 72 + HB2 GLU 88 OK 18 64 - 28 - 9922/3.0=4, 12225/1.8=4...(8) HE1 TYR 41 - HB2 GLU 88 poor 10 76 - 13 - 12225/1.8=3, 9934/4.3=2...(4) HE2 TYR 41 - HB2 GLU 88 poor 8 68 - 12 - 12225/1.8=2, 9922/3.0=2...(4) HD21 ASN 60 - HB2 GLU 104 lone 7 82 - 9 - 9428/3.0=2, 9439/10738=1 HE1 TYR 41 - HB2 GLU 104 lone 3 57 - 5 - HE21 GLN 72 - HB2 GLU 104 lone 3 47 - 6 - HE2 TYR 41 - HB2 GLU 104 lone 3 51 - 5 - Peak 12225 from cnoeabs.peaks (6.87, 2.08, 30.10 ppm; 6.13 A): 2 out of 5 assignments used, quality = 0.94: HD1 TRP 92 + HB3 GLU 88 OK 91 98 - 94 - 2.6/12227=39, ~9970=28...(14) HD21 ASN 60 + HB3 GLU 88 OK 30 97 - 31 - 9934/4.3=8, 12224/1.8=7...(10) HE21 GLN 72 - HB3 GLU 88 OK 19 61 - 30 - 9922/3.0=5, 12224/1.8=5...(8) HE1 TYR 41 - HB3 GLU 88 OK 13 72 - 18 - 9934/4.3=2, 12224/1.8=2...(7) HE2 TYR 41 - HB3 GLU 88 OK 11 65 - 17 - 4.3/14622=2, 9922/3.0=2...(7) Peak 12226 from cnoeabs.peaks (10.29, 1.81, 30.10 ppm; 5.56 A): 2 out of 2 assignments used, quality = 0.91: HE1 TRP 92 + HB2 GLU 88 OK 88 99 - 89 - 12227/1.8=35...(12) HE1 TRP 92 + HB2 GLU 104 OK 25 82 - 31 - 9974=7, 2.6/12224=5...(12) Peak 12227 from cnoeabs.peaks (10.29, 2.08, 30.10 ppm; 6.09 A): 1 out of 1 assignment used, quality = 0.87: HE1 TRP 92 + HB3 GLU 88 OK 87 97 - 90 - 9970/3.0=39...(10) Peak 12228 from cnoeabs.peaks (1.48, 3.90, 55.60 ppm; 5.35 A): 5 out of 17 assignments used, quality = 0.80: HB2 ARG 91 + HA ALA 89 OK 52 92 - 57 - 4.3/3904=16, 3.9/7430=12...(16) HG LEU 64 + HA ALA 89 OK 25 99 - 25 - 10245/4.8=5, 3.0/10974=3...(10) HB3 LEU 64 + HA ALA 89 OK 21 81 - 26 - 1.8/10974=4, 3.9/7030=3...(10) HG2 LYS 66 + HA ALA 89 OK 16 77 - 21 - 2.9/9509=3, 3.0/2884=3...(6) HG3 LYS 66 + HA ALA 89 OK 14 69 - 21 - 2.9/9509=3, 3.0/2884=3...(6) HB2 LEU 27 - HA ALA 89 poor 9 61 - 14 - ~9932=4, 1.8/3902=2...(7) HG2 LYS 47 - HA ALA 89 poor 8 77 - 10 - 7442/7430=1 HD2 LYS 82 - HA ALA 89 poor 7 69 - 11 - 3.5/3902=2, ~3705=1...(4) HG13 ILE 52 - HA ALA 89 poor 7 61 - 11 - 2.1/9930=5, ~9925=3 HG LEU 38 - HA ALA 89 lone 5 69 - 7 - ~9926=1, ~7403=1 HG3 LYS 53 - HA ALA 89 lone 5 96 - 5 - HG2 LYS 53 - HA ALA 89 lone 3 84 - 4 - HG2 LYS 73 - HA ALA 89 lone 3 73 - 4 - HD3 LYS 40 - HA ALA 89 lone 3 90 - 3 - HG2 LYS 20 - HA ALA 89 lone 3 61 - 4 - ~7405=2 HD2 LYS 40 - HA ALA 89 lone 3 87 - 3 - HD2 LYS 53 - HA ALA 89 lone 3 69 - 4 - Peak 12230 from cnoeabs.peaks (4.04, 2.99, 64.30 ppm; 5.66 A): 0 out of 6 assignments used, low quality = 0.38: HB3 SER 59 - HB2 SER 9 OK 20 99 - 20 - 9405/3.0=9, ~9404=6...(4) HA GLU 17 - HB2 SER 9 OK 13 83 - 16 - 3.6/338=6, 731/4.6=3...(4) HA LYS 20 - HB2 SER 9 OK 11 86 - 12 - 2.9/334=2, 3.0/8319=2...(4) HA GLU 16 - HB2 SER 9 lone 9 98 - 9 - 9638/9653=1, ~6740=1, 3.0/6743=1 HB2 SER 49 - HB2 SER 9 lone 4 65 - 6 - 9638/9653=2 HA GLU 95 - HB2 SER 9 lone 1 69 - 2 - Peak 12232 from cnoeabs.peaks (2.43, 1.74, 29.40 ppm; 5.13 A): 3 out of 7 assignments used, quality = 0.67: HG3 GLU 17 + HD2 LYS 90 OK 56 100 - 57 - ~12233=11, ~10436=8...(14) HG3 MET 1 + HD2 LYS 90 OK 15 86 - 18 - 12236/3.0=4, 8020/2.9=3...(6) HG3 GLU 48 + HD2 LYS 90 OK 12 100 - 12 - 12236/3.0=2, 10184/1.8=2...(6) HG2 GLN 72 - HD2 LYS 90 lone 6 97 - 6 - 12236/3.0=1, 12164/3.6=1 HG3 GLU 99 - HD2 LYS 90 lone 4 95 - 4 - HG3 GLN 50 - HD2 LYS 90 lone 4 100 - 4 - HB2 ASP 11 - HD2 LYS 90 lone 4 100 - 4 - Peak 12233 from cnoeabs.peaks (2.24, 1.70, 29.40 ppm; 5.62 A): 4 out of 16 assignments used, quality = 0.76: HG2 GLU 17 + HD3 LYS 90 OK 59 94 - 63 - ~12232=20, 10436=11...(13) HG2 GLU 17 + HG12 ILE 15 OK 17 78 - 22 - 751/4.6=6, 10436=3...(8) HG2 GLU 17 + HD2 LYS 12 OK 16 73 - 22 - 11024/3.0=4, 10436=4...(7) HG2 GLU 17 + HD3 LYS 12 OK 16 73 - 22 - 11024/3.0=4, 10436=4...(7) HB3 GLN 72 - HD2 LYS 12 lone 6 72 - 9 - ~12183=2, ~10845=1 HB3 GLN 72 - HD3 LYS 12 lone 6 72 - 9 - ~12183=2, ~10845=1 HB3 GLN 72 - HD3 LYS 90 lone 6 93 - 6 - ~12232=2, ~12236=1 HB3 GLN 72 - HG12 ILE 15 lone 4 77 - 5 - HG2 GLU 37 - HG12 ILE 15 lone 2 46 - 5 - HG2 GLU 99 - HD3 LYS 90 lone 2 54 - 4 - ~12232=2 HG2 GLU 37 - HD3 LYS 90 lone 1 58 - 2 - HG2 GLU 37 - HD2 LYS 12 lone 1 42 - 3 - HG2 GLU 37 - HD3 LYS 12 lone 1 42 - 3 - HG2 GLU 99 - HG12 ILE 15 lone 1 42 - 2 - HG2 GLU 99 - HD2 LYS 12 lone 1 39 - 2 - HG2 GLU 99 - HD3 LYS 12 lone 1 39 - 2 - Peak 12234 from cnoeabs.peaks (2.42, 1.71, 29.40 ppm; 4.66 A): 0 out of 0 assignments used, low quality = 0.00: Peak 12236 from cnoeabs.peaks (2.42, 2.81, 41.80 ppm; 4.52 A): 4 out of 9 assignments used, quality = 0.63: HG3 GLU 17 + HE2 LYS 90 OK 29 83 - 35 - 12232/3.0=10, ~12233=7...(9) HG3 MET 21 + HE2 LYS 90 OK 23 65 - 36 - 1.8/3999=7, ~3977=6...(11) HB3 MET 21 + HE2 LYS 90 OK 18 61 - 29 - 3.0/3999=7, 9949/6.2=5...(10) HG3 MET 1 + HE2 LYS 90 OK 17 98 - 17 - 3.3/8029=3, 12232/3.0=3...(7) HG3 GLU 48 - HE2 LYS 90 lone 8 83 - 9 - 12232/3.0=2, ~12281=2, ~10617=1 HG2 GLN 72 - HE2 LYS 90 lone 5 94 - 5 - 12232/3.0=1 HG3 GLN 50 - HE2 LYS 90 lone 2 76 - 2 - HB2 ASP 11 - HE2 LYS 90 lone 2 73 - 2 - HG2 GLN 50 - HE2 LYS 90 lone 1 65 - 2 - Peak 12237 from cnoeabs.peaks (2.91, 3.89, 59.20 ppm; 5.41 A): 10 out of 30 assignments used, quality = 0.91: HE3 LYS 66 + HA ARG 91 OK 27 90 - 30 - 2.9/9509=5, 3.6/9508=4...(10) HE2 LYS 20 + HA ARG 91 OK 24 97 - 24 - 3.0/4036=2, ~4028=2...(7) HE3 LYS 20 + HA ARG 91 OK 24 97 - 24 - 3.0/4036=2, ~4028=2...(7) HE3 LYS 94 + HA GLU 35 OK 22 95 - 23 - 4.8/4196=6, 4.8/4184=3...(8) HE2 LYS 66 + HA ARG 91 OK 22 72 - 30 - 2.9/9509=5, 3.6/9508=4...(9) HE3 LYS 94 + HA GLU 43 OK 21 71 - 29 - 4.8/4196=9, 4.8/4184=6...(8) HE3 LYS 94 + HA ARG 91 OK 20 98 - 21 - 4.8/4196=7, 7.3/7502=5...(4) HE2 LYS 94 + HA GLU 35 OK 19 84 - 23 - 4.8/4196=6, 4.8/4184=3...(9) HE2 LYS 94 + HA ARG 91 OK 18 87 - 21 - 4.8/4196=7, 7.3/7502=5...(4) HE2 LYS 94 + HA GLU 43 OK 18 60 - 30 - 4.8/4196=9, 4.8/4184=6...(9) HE3 LYS 66 - HA GLU 35 OK 17 86 - 20 - 2.9/9509=5, 10530/3.0=3...(5) HE2 LYS 66 - HA GLU 35 OK 13 69 - 20 - 2.9/9509=5, 3.6/9508=3...(5) HE2 LYS 20 - HA GLU 35 OK 11 95 - 11 - 10530/3.0=1 HE3 LYS 20 - HA GLU 35 OK 11 94 - 11 - 10530/3.0=1 HE3 LYS 68 - HA GLU 35 OK 11 95 - 11 - 3076/3.6=3, 10270/4.9=2 HE2 LYS 68 - HA GLU 35 OK 10 95 - 11 - 3076/3.6=3, 10270/4.9=2 HE3 LYS 68 - HA GLU 43 poor 9 71 - 13 - 3076/2.9=2, ~3043=1...(5) HE2 LYS 68 - HA GLU 43 poor 9 72 - 13 - 3076/2.9=2, ~3043=1...(5) HE2 LYS 20 - HA GLU 43 poor 9 71 - 13 - 10530/3.0=1 HE3 LYS 20 - HA GLU 43 poor 9 71 - 13 - 10530/3.0=1 HB2 ASN 10 - HA GLU 43 poor 6 40 - 15 - ~1968=3, ~1976=3...(5) HE3 LYS 66 - HA GLU 43 lone 6 62 - 9 - 2.9/9509=1, ~10610=1 HE3 LYS 68 - HA ARG 91 lone 5 97 - 5 - HE2 LYS 68 - HA ARG 91 lone 5 98 - 5 - HE2 LYS 66 - HA GLU 43 lone 4 48 - 9 - 2.9/9509=1, ~10610=1 HB2 ASN 60 - HA ARG 91 lone 3 61 - 5 - ~10983=3 HB2 ASN 10 - HA ARG 91 lone 3 61 - 4 - HB2 ASN 10 - HA GLU 35 lone 2 58 - 3 - HB2 ASN 60 - HA GLU 35 lone 1 58 - 2 - HB2 ASN 60 - HA GLU 43 lone 1 40 - 2 - Peak 12238 from cnoeabs.peaks (2.92, 3.89, 59.20 ppm; 5.41 A): 12 out of 27 assignments used, quality = 0.93: HE3 LYS 90 + HA ARG 91 OK 34 69 - 50 - ~7437=16, ~3978=11...(11) HE3 LYS 20 + HA ARG 91 OK 22 93 - 24 - 3.0/4036=2, ~4028=2...(7) HE2 LYS 20 + HA ARG 91 OK 22 92 - 24 - 3.0/4036=2, ~4028=2...(7) HE2 LYS 94 + HA GLU 35 OK 21 95 - 22 - 4.8/4196=6, 4.8/4184=3...(9) HE2 LYS 94 + HA GLU 43 OK 21 72 - 30 - 4.8/4196=9, 4.8/4184=6...(9) HE2 LYS 94 + HA ARG 91 OK 21 98 - 21 - 4.8/4196=7, 7.3/7502=5...(4) HE3 LYS 94 + HA GLU 35 OK 20 86 - 22 - 4.8/4196=6, 4.8/4184=3...(8) HE3 LYS 94 + HA ARG 91 OK 19 90 - 21 - 4.8/4196=7, 7.3/7502=5...(4) HE3 LYS 94 + HA GLU 43 OK 18 62 - 29 - 4.8/4196=9, 4.8/4184=6...(8) HE3 LYS 66 + HA ARG 91 OK 17 57 - 30 - 2.9/9509=5, 3.6/9508=4...(10) HB2 ASN 10 + HA GLU 43 OK 11 64 - 16 - ~1968=3, ~1976=3...(5) HE3 LYS 66 + HA GLU 35 OK 10 54 - 19 - 2.9/9509=5, 3.6/9508=3...(5) HE3 LYS 20 - HA GLU 35 poor 10 90 - 10 - HE2 LYS 20 - HA GLU 35 poor 9 88 - 10 - HE3 LYS 20 - HA GLU 43 poor 8 66 - 12 - HE2 LYS 20 - HA GLU 43 poor 8 64 - 12 - HE2 LYS 68 - HA GLU 35 lone 8 84 - 9 - 3065/3.6=2, 10270/4.9=2 HE3 LYS 68 - HA GLU 35 lone 7 79 - 9 - 3065/3.6=2, 10270/4.9=2 HE2 LYS 68 - HA GLU 43 poor 7 60 - 12 - ~3043=1, ~3054=1...(5) HE3 LYS 68 - HA GLU 43 poor 7 56 - 12 - ~3043=1, ~3054=1...(5) HB2 ASN 10 - HA ARG 91 lone 5 92 - 5 - HE3 LYS 90 - HA GLU 35 lone 4 66 - 6 - 6.2/9956=1 HE2 LYS 68 - HA ARG 91 lone 4 87 - 4 - HE3 LYS 68 - HA ARG 91 lone 4 82 - 4 - HE3 LYS 66 - HA GLU 43 lone 3 37 - 8 - 2.9/9509=1, ~10610=1 HE3 LYS 90 - HA GLU 43 lone 3 45 - 6 - ~10610=2, 6.2/9956=1 HB2 ASN 10 - HA GLU 35 lone 3 88 - 3 - Peak 12239 from cnoeabs.peaks (6.99, 1.48, 29.30 ppm; 5.58 A): 2 out of 3 assignments used, quality = 0.86: HE ARG 91 + HB2 ARG 91 OK 77 77 - 100 - 4.6=100 HD21 ASN 51 + HB2 ARG 91 OK 37 84 - 43 - 6844/3.5=8, 3.5/4032=7...(15) HD21 ASN 10 - HB2 ARG 91 lone 6 91 - 6 - 9965/3.5=1 Peak 12245 from cnoeabs.peaks (3.10, 0.73, 30.80 ppm; 6.33 A): 0 out of 0 assignments used, low quality = 0.00: Peak 12247 from cnoeabs.peaks (3.10, 2.03, 30.80 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.79: HB2 PHE 96 + HG12 ILE 93 OK 65 84 - 77 - 4325/4.0=45, 7484/4.6=19...(10) HB2 TRP 92 + HG12 ILE 93 OK 41 86 - 48 - 7484/4.6=23, 4127/4.0=13...(7) Peak 12249 from cnoeabs.peaks (3.87, 0.75, 17.00 ppm; 4.04 A): 6 out of 11 assignments used, quality = 0.86: HA LYS 94 + QG2 ILE 93 OK 74 99 - 75 - 3.0/7510=13, ~4137=10...(27) HA GLU 43 + QG2 ILE 93 OK 14 87 - 16 - 7502/4.3=4, ~6687=2...(6) HA LEU 38 + QG2 ILE 93 OK 13 100 - 13 - 8855/3.2=2, 10029/2.1=2...(4) HA ARG 91 + QG2 ILE 93 OK 13 70 - 19 - 7502/4.3=4, 7481/4.0=4...(5) HA ALA 67 + QG2 ILE 93 OK 10 70 - 15 - 7512/4.3=2, 2.1/10320=2...(5) HA LYS 40 + QG2 ILE 93 OK 10 98 - 10 - 7512/4.3=2, 10029/2.1=2, ~6620=1 HA2 GLY 100 - QG2 ILE 93 lone 9 99 - 9 - 7512/4.3=2, 4349/10324=2 HA2 GLY 101 - QG2 ILE 93 lone 9 99 - 9 - 7512/4.3=2, ~10325=1 HA LYS 12 - QG2 ILE 93 poor 9 73 - 12 - 2.9/8380=1, 3.7/10326=1 HB3 SER 49 - QG2 ILE 93 poor 8 81 - 10 - 3.0/9057=1, 10029/2.1=1, ~9066=1 HA GLU 35 - QG2 ILE 93 lone 5 73 - 7 - 7502/4.3=2, 7481/4.0=1 Peak 12250 from cnoeabs.peaks (2.10, 1.62, 29.40 ppm; 4.01 A): 7 out of 9 assignments used, quality = 0.89: QE MET 21 + HD2 LYS 94 OK 54 95 - 57 - 10443/1.8=14...(12) HB3 GLU 62 + HD2 LYS 94 OK 35 79 - 45 - 12251/1.8=7, 1.8/4233=6...(16) HB3 PRO 86 + HD2 LYS 94 OK 25 94 - 27 - 12251/1.8=5, 12253/3.0=4...(11) HB2 GLU 23 + HD2 LYS 94 OK 23 72 - 32 - ~12257=5, ~10465=5...(10) HB2 LEU 64 + HD2 LYS 94 OK 13 79 - 17 - 12251/1.8=2, 3.1/11010=2...(5) HB VAL 83 + HD2 LYS 94 OK 12 79 - 16 - ~9814=3, 12251/1.8=2...(7) HB2 PRO 86 + HD2 LYS 94 OK 12 54 - 23 - ~12251=3, 12251/1.8=2...(9) HG3 GLU 37 - HD2 LYS 94 lone 8 86 - 9 - 12251/1.8=2, 12253/3.0=1...(4) HG3 GLU 104 - HD2 LYS 94 lone 4 94 - 4 - Peak 12251 from cnoeabs.peaks (2.10, 1.60, 29.40 ppm; 4.24 A): 7 out of 9 assignments used, quality = 0.93: QE MET 21 + HD3 LYS 94 OK 60 99 - 61 - 8551/3.0=15, 10443=14...(11) HB3 GLU 62 + HD3 LYS 94 OK 43 84 - 51 - 1.8/4244=8, 12250/1.8=8...(18) HB3 PRO 86 + HD3 LYS 94 OK 30 98 - 31 - 12250/1.8=6, 12253/3.0=4...(11) HB2 GLU 23 + HD3 LYS 94 OK 27 78 - 35 - ~12257=6, ~10465=5...(11) HB2 PRO 86 + HD3 LYS 94 OK 15 59 - 26 - ~12250=4, ~12252=3...(9) HB2 LEU 64 + HD3 LYS 94 OK 15 84 - 17 - 12250/1.8=3, 12252/3.0=2...(6) HB VAL 83 + HD3 LYS 94 OK 15 84 - 17 - ~9814=3, 12250/1.8=3...(7) HG3 GLU 37 - HD3 LYS 94 lone 9 92 - 10 - 12250/1.8=2, 12253/3.0=1...(4) HG3 GLU 104 - HD3 LYS 94 lone 5 99 - 5 - Peak 12252 from cnoeabs.peaks (2.10, 1.34, 24.60 ppm; 4.58 A): 4 out of 9 assignments used, quality = 0.92: QE MET 21 + HG2 LYS 94 OK 67 99 - 68 - 8541/3.7=15...(15) HB3 GLU 62 + HG2 LYS 94 OK 45 85 - 54 - 1.8/4211=8, 12253/1.8=8...(17) HB3 PRO 86 + HG2 LYS 94 OK 37 98 - 37 - 12253/1.8=6, 12250/3.0=5...(14) HB2 GLU 23 + HG2 LYS 94 OK 33 78 - 42 - 2.9/10465=10, ~12257=9...(10) HB VAL 83 - HG2 LYS 94 OK 22 85 - 26 - ~9814=4, 12253/1.8=3...(9) HB2 LEU 64 - HG2 LYS 94 OK 20 85 - 23 - 12253/1.8=3, 12250/3.0=3...(10) HB2 PRO 86 - HG2 LYS 94 OK 19 59 - 32 - ~12253=4, 2.3/9880=4...(12) HG3 GLU 37 - HG2 LYS 94 OK 12 92 - 12 - 12253/1.8=2, ~11067=2...(5) HG3 GLU 104 - HG2 LYS 94 lone 7 99 - 7 - Peak 12253 from cnoeabs.peaks (2.10, 1.38, 24.60 ppm; 4.36 A): 7 out of 9 assignments used, quality = 0.94: QE MET 21 + HG3 LYS 94 OK 63 100 - 63 - 8551/1.8=18, 8541/3.7=14...(10) HB3 GLU 62 + HG3 LYS 94 OK 44 87 - 51 - 1.8/4222=8, 12250/3.0=6...(17) HB2 GLU 23 + HG3 LYS 94 OK 33 80 - 42 - 2.9/12257=10, ~10465=8...(10) HB3 PRO 86 + HG3 LYS 94 OK 31 99 - 31 - 12252/1.8=5, 12250/3.0=5...(11) HB VAL 83 + HG3 LYS 94 OK 17 87 - 20 - ~9814=4, 12252/1.8=3...(7) HB2 PRO 86 + HG3 LYS 94 OK 15 61 - 25 - ~12252=4, ~12250=3...(8) HB2 LEU 64 + HG3 LYS 94 OK 15 87 - 17 - 12252/1.8=3, 12250/3.0=2...(8) HG3 GLU 37 - HG3 LYS 94 poor 10 94 - 10 - 1.8/11067=2, 12252/1.8=2...(4) HG3 GLU 104 - HG3 LYS 94 lone 5 100 - 5 - Peak 12255 from cnoeabs.peaks (2.50, 1.34, 24.60 ppm; 5.78 A): 4 out of 8 assignments used, quality = 0.78: HG3 GLU 23 + HG2 LYS 94 OK 58 98 - 60 - 12257/1.8=20, 10465=17...(11) HB3 ASP 87 + HG2 LYS 94 OK 21 100 - 21 - 12257/1.8=6, ~12257=5...(5) HB2 ASP 87 + HG2 LYS 94 OK 21 100 - 21 - 12257/1.8=6, ~12257=5...(5) HD2 ARG 91 + HG2 LYS 94 OK 15 91 - 17 - 6.1/10991=5, 12257/1.8=4 HB2 ASP 36 - HG2 LYS 94 lone 9 93 - 10 - 12257/1.8=3, ~12257=2, ~10536=1 HB3 ASP 36 - HG2 LYS 94 lone 9 91 - 10 - 12257/1.8=3, ~12257=3, ~10536=1 HB2 ASP 61 - HG2 LYS 94 lone 5 83 - 7 - 3.0/9446=2, 12257/1.8=2 HG3 GLU 63 - HG2 LYS 94 lone 3 61 - 4 - Peak 12256 from cnoeabs.peaks (2.24, 1.38, 24.60 ppm; 6.45 A): 5 out of 5 assignments used, quality = 0.89: HB3 GLN 72 + HG3 LYS 94 OK 46 94 - 49 - 3.0/9565=18...(10) HG3 GLU 62 + HG3 LYS 94 OK 41 61 - 68 - 1.8/11067=11...(18) HG2 GLU 62 + HG3 LYS 94 OK 41 61 - 68 - 1.8/11067=11...(18) HG2 GLU 17 + HG3 LYS 94 OK 34 100 - 33 - 3.0/4222=3, ~12027=3...(18) HG2 GLU 37 + HG3 LYS 94 OK 12 80 - 14 - 11067=3, 1.8/12253=2...(5) Peak 12257 from cnoeabs.peaks (2.50, 1.38, 24.60 ppm; 5.40 A): 3 out of 8 assignments used, quality = 0.58: HG3 GLU 23 + HG3 LYS 94 OK 45 98 - 46 - 10465/1.8=17...(9) HB3 ASP 87 + HG3 LYS 94 OK 13 100 - 13 - 12255/1.8=5, ~12255=4, ~9910=2 HB2 ASP 87 + HG3 LYS 94 OK 13 100 - 13 - 12255/1.8=5, ~12255=4, ~9910=2 HD2 ARG 91 - HG3 LYS 94 lone 9 92 - 10 - 12255/1.8=4 HB2 ASP 36 - HG3 LYS 94 lone 7 94 - 7 - 12255/1.8=2, ~12255=2 HB3 ASP 36 - HG3 LYS 94 lone 7 92 - 7 - 12255/1.8=2, ~12255=2 HB2 ASP 61 - HG3 LYS 94 lone 4 84 - 5 - 12255/1.8=1, ~9446=1 HG3 GLU 63 - HG3 LYS 94 lone 2 61 - 3 - Peak 12258 from cnoeabs.peaks (2.10, 2.91, 41.80 ppm; 4.05 A): 8 out of 63 assignments used, quality = 0.89: QE MET 21 + HE3 LYS 94 OK 42 100 - 42 - 10443/3.0=11...(7) HB3 GLU 62 + HE3 LYS 94 OK 27 86 - 32 - 12250/3.0=6, 12251/3.0=6...(10) HB3 PRO 86 + HE3 LYS 66 OK 27 64 - 42 - 12288/2.9=7, ~2942=4...(19) QE MET 21 + HE2 LYS 94 OK 24 57 - 42 - 10443/3.0=11...(7) HB2 LEU 64 + HE3 LYS 66 OK 20 50 - 41 - ~9485=6, ~9479=6...(16) HB3 PRO 86 + HE3 LYS 94 OK 18 99 - 18 - 12250/3.0=4, 12251/3.0=4...(6) HB2 LEU 64 + HE2 LYS 68 OK 17 87 - 19 - 3.1/9484=4, ~9484=3...(7) HB2 LEU 64 + HE3 LYS 68 OK 16 85 - 19 - 3.1/9484=4, ~9484=3...(7) HB2 GLU 23 - HE3 LYS 94 OK 14 80 - 17 - 12250/3.0=4, 12251/3.0=4...(5) HB3 GLU 62 - HE2 LYS 94 OK 13 44 - 30 - 12250/3.0=6, 12251/3.0=6...(11) HB2 PRO 86 - HE3 LYS 66 OK 13 33 - 39 - ~12288=5, 12288/2.9=4...(19) HB2 LEU 64 - HE3 LYS 94 OK 11 86 - 13 - 12250/3.0=2, 12251/3.0=2...(5) QE MET 21 - HE3 LYS 68 OK 10 99 - 10 - 8542/6.3=4, 6.1/6330=1 QE MET 21 - HE2 LYS 68 OK 10 100 - 10 - 8542/6.3=4, 6.1/6330=1 HB3 PRO 86 - HE2 LYS 94 OK 10 56 - 18 - 12250/3.0=4, 12251/3.0=4...(6) QE MET 21 - HE2 LYS 20 lone 10 99 - 10 - 6.1/6330=4 QE MET 21 - HE3 LYS 20 lone 9 98 - 10 - 6.1/6330=4 HB2 PRO 86 - HE3 LYS 94 poor 9 61 - 14 - ~12250=3, ~12251=3...(6) HB VAL 83 - HE3 LYS 94 lone 8 86 - 9 - 12250/3.0=2, 12251/3.0=2...(4) HG3 GLU 37 - HE2 LYS 20 lone 7 92 - 8 - 8846/3.0=2, 8846/3.0=2 QE MET 21 - HE3 LYS 66 poor 7 65 - 11 - 10443/2.9=3, 10444/2.9=3 HG3 GLU 37 - HE3 LYS 20 lone 7 90 - 8 - 8846/3.0=2, 8846/3.0=2 HB3 GLU 62 - HE3 LYS 66 poor 7 50 - 14 - ~12290=4, 4.6/9455=3...(5) HB2 GLU 23 - HE2 LYS 94 poor 7 39 - 17 - 12250/3.0=4, 12251/3.0=4...(5) HG3 GLU 37 - HE3 LYS 94 lone 6 94 - 6 - 12250/3.0=1, 12251/3.0=1 HB2 LEU 64 - HE2 LYS 94 poor 5 44 - 12 - 12250/3.0=2, 12251/3.0=2...(5) HB2 GLU 23 - HE2 LYS 20 lone 5 79 - 7 - 1019/6.3=2, 10462/3.6=1 HB2 GLU 23 - HE3 LYS 20 lone 5 76 - 7 - 1019/6.3=2, 10462/3.6=1 HB3 PRO 86 - HE2 LYS 20 lone 5 98 - 5 - HB3 PRO 86 - HE3 LYS 20 lone 5 97 - 5 - HB3 PRO 86 - HE2 LYS 68 lone 4 99 - 4 - HB2 PRO 86 - HE2 LYS 94 poor 4 28 - 14 - ~12250=3, ~12251=3...(6) HG3 GLU 104 - HE2 LYS 68 lone 4 100 - 4 - 4545/5.0=1 HG3 GLU 104 - HE3 LYS 94 lone 4 100 - 4 - HB3 PRO 86 - HE3 LYS 68 lone 4 98 - 4 - HG3 GLU 104 - HE3 LYS 68 lone 4 99 - 4 - 4545/5.0=1 HB VAL 83 - HE2 LYS 94 lone 4 44 - 9 - 12250/3.0=2, 12251/3.0=2...(4) HB3 GLU 62 - HE3 LYS 68 lone 3 85 - 4 - HB VAL 83 - HE2 LYS 68 lone 3 87 - 4 - 9821/3.6=1 HB VAL 83 - HE3 LYS 68 lone 3 85 - 4 - 9821/3.6=1 HG3 GLU 104 - HE3 LYS 66 lone 3 64 - 5 - HB3 GLU 62 - HE2 LYS 68 lone 3 87 - 3 - HG3 GLU 37 - HE2 LYS 94 lone 3 49 - 6 - 12250/3.0=1, 12251/3.0=1 HB3 GLU 62 - HE2 LYS 20 lone 3 85 - 3 - HB3 GLU 62 - HE3 LYS 20 lone 3 83 - 3 - HG3 GLU 37 - HE3 LYS 66 lone 3 57 - 5 - ~12290=2 HB VAL 83 - HE2 LYS 20 lone 3 85 - 3 - HB VAL 83 - HE3 LYS 20 lone 2 83 - 3 - HB2 LEU 64 - HE2 LYS 20 lone 2 85 - 3 - HB2 LEU 64 - HE3 LYS 20 lone 2 83 - 3 - HG3 GLU 104 - HE2 LYS 94 lone 2 56 - 4 - HG3 GLU 104 - HE2 LYS 20 lone 2 99 - 2 - HG3 GLU 104 - HE3 LYS 20 lone 2 97 - 2 - HB2 PRO 86 - HE2 LYS 20 lone 2 60 - 3 - HB2 GLU 23 - HE3 LYS 66 lone 2 46 - 4 - ~12290=1 HB2 GLU 23 - HE2 LYS 68 lone 2 81 - 2 - HB2 GLU 23 - HE3 LYS 68 lone 2 79 - 2 - HB2 PRO 86 - HE3 LYS 20 lone 2 58 - 3 - HB2 PRO 86 - HE2 LYS 68 lone 2 61 - 3 - HB2 PRO 86 - HE3 LYS 68 lone 2 60 - 3 - HG3 GLU 37 - HE2 LYS 68 lone 2 94 - 2 - HG3 GLU 37 - HE3 LYS 68 lone 2 92 - 2 - HB VAL 83 - HE3 LYS 66 lone 1 50 - 3 - Peak 12259 from cnoeabs.peaks (2.10, 2.92, 41.80 ppm; 4.05 A): 8 out of 45 assignments used, quality = 0.85: QE MET 21 + HE2 LYS 94 OK 42 100 - 42 - 10443/3.0=11...(7) QE MET 21 + HE3 LYS 94 OK 27 65 - 42 - 10443/3.0=11...(7) HB3 GLU 62 + HE2 LYS 94 OK 27 87 - 31 - 12250/3.0=6, 12251/3.0=6...(11) HB3 PRO 86 + HE2 LYS 94 OK 19 99 - 19 - 12250/3.0=4, 12251/3.0=4...(7) HB3 GLU 62 + HE3 LYS 94 OK 15 50 - 31 - 12250/3.0=6, 12251/3.0=6...(10) HB2 GLU 23 + HE2 LYS 94 OK 14 81 - 17 - 12250/3.0=4, 12251/3.0=4...(5) HB3 PRO 86 + HE3 LYS 94 OK 11 64 - 18 - 12250/3.0=4, 12251/3.0=4...(6) HB2 LEU 64 + HE2 LYS 94 OK 11 87 - 12 - 12250/3.0=2, 12251/3.0=2...(5) HB2 PRO 86 - HE2 LYS 94 poor 9 61 - 15 - ~12250=3, ~12251=3...(7) HB2 GLU 23 - HE3 LYS 94 poor 8 46 - 17 - 12250/3.0=4, 12251/3.0=4...(5) HB VAL 83 - HE2 LYS 94 lone 8 87 - 9 - 12250/3.0=2, 12251/3.0=2...(4) QE MET 21 - HE3 LYS 20 lone 8 80 - 9 - 6.1/6331=3 HB2 LEU 64 - HE2 LYS 68 poor 7 44 - 16 - ~9484=3, ~10243=2...(7) QE MET 21 - HE2 LYS 20 lone 7 73 - 9 - 6.1/6331=3 HB2 LEU 64 - HE3 LYS 94 poor 6 50 - 11 - 12250/3.0=2, 12251/3.0=2...(4) HG3 GLU 37 - HE3 LYS 20 lone 6 71 - 8 - 8846/3.0=2, 8846/3.0=2 HG3 GLU 37 - HE2 LYS 94 lone 6 94 - 6 - 12250/3.0=1, 12251/3.0=1 QE MET 21 - HE2 LYS 68 lone 6 57 - 10 - 8542/6.3=4, 6.1/6331=1 HG3 GLU 37 - HE2 LYS 20 lone 5 64 - 8 - 8846/3.0=2, 8846/3.0=2 HB2 PRO 86 - HE3 LYS 94 poor 5 33 - 14 - ~12250=3, ~12251=3...(6) HB VAL 83 - HE3 LYS 94 lone 4 50 - 9 - 12250/3.0=2, 12251/3.0=2...(4) HG3 GLU 104 - HE2 LYS 94 lone 4 100 - 4 - HB2 GLU 23 - HE3 LYS 20 lone 4 58 - 7 - 1019/6.3=2, 10462/3.6=1 HB3 PRO 86 - HE3 LYS 20 lone 4 79 - 5 - HB2 GLU 23 - HE2 LYS 20 lone 3 52 - 7 - 1019/6.3=2, 10462/3.6=1 HG3 GLU 37 - HE3 LYS 94 lone 3 57 - 6 - 12250/3.0=1, 12251/3.0=1 HB3 PRO 86 - HE2 LYS 20 lone 3 71 - 5 - HG3 GLU 104 - HE3 LYS 94 lone 2 64 - 4 - HG3 GLU 104 - HE2 LYS 68 lone 2 56 - 3 - 4545/5.0=1 HB3 PRO 86 - HE2 LYS 68 lone 2 56 - 3 - HB3 GLU 62 - HE3 LYS 20 lone 2 64 - 3 - HB VAL 83 - HE3 LYS 20 lone 2 64 - 3 - HB3 GLU 62 - HE2 LYS 20 lone 2 57 - 3 - HB VAL 83 - HE2 LYS 20 lone 2 57 - 3 - HG3 GLU 104 - HE3 LYS 20 lone 1 80 - 2 - HB2 LEU 64 - HE3 LYS 20 lone 1 64 - 2 - HG3 GLU 104 - HE2 LYS 20 lone 1 72 - 2 - HB2 PRO 86 - HE3 LYS 20 lone 1 43 - 3 - HB VAL 83 - HE2 LYS 68 lone 1 44 - 3 - 9821/3.6=1 HB2 LEU 64 - HE2 LYS 20 lone 1 57 - 2 - HB2 PRO 86 - HE2 LYS 20 lone 1 38 - 3 - HB3 GLU 62 - HE2 LYS 68 lone 1 44 - 3 - HB2 GLU 23 - HE2 LYS 68 lone 1 39 - 2 - HG3 GLU 37 - HE2 LYS 68 lone 1 49 - 1 - HB2 PRO 86 - HE2 LYS 68 lone 1 28 - 2 - Peak 12266 from cnoeabs.peaks (8.06, 2.04, 29.40 ppm; 4.03 A): 0 out of 30 assignments used, low quality = 0.16: H GLU 17 - HB3 GLU 48 OK 16 55 - 30 - 6253/1.8=11, 6252/3.0=8...(7) H SER 102 - HB2 GLU 99 lone 6 98 - 6 - 4.6/10103=5 H SER 102 - HB3 GLU 99 lone 6 98 - 6 - 4.6/10103=5 H GLU 17 - HB3 GLU 99 lone 6 97 - 6 - 6258/3.0=2 H GLU 17 - HB2 GLU 99 lone 6 97 - 6 - 6258/3.0=2 H LYS 90 - HB3 GLU 99 lone 5 76 - 6 - 7426/4.7=1, 3.0/9948=1, ~9948=1 H LYS 90 - HB2 GLU 99 lone 5 76 - 6 - 3.0/9948=1, 7426/4.7=1 H LYS 90 - HB3 GLU 98 lone 2 74 - 3 - H SER 102 - HB3 GLU 98 lone 2 97 - 2 - 4.6/10103=1 H SER 102 - HB2 GLU 98 lone 2 94 - 2 - 4.6/10103=1 H GLU 17 - HB3 GLU 98 lone 2 96 - 2 - H LYS 90 - HB2 GLU 98 lone 2 71 - 3 - H GLU 17 - HB2 GLU 98 lone 2 93 - 2 - H ILE 15 - HB2 GLU 99 lone 2 76 - 2 - H ILE 15 - HB3 GLU 99 lone 2 76 - 2 - H ILE 15 - HB3 GLU 48 lone 2 38 - 4 - 758/3.0=1 H LYS 90 - HB3 GLU 48 lone 1 38 - 4 - H SER 102 - HB3 GLU 48 lone 1 56 - 3 - 4.6/10103=1 H GLU 75 - HB3 GLU 98 lone 1 67 - 2 - H GLU 75 - HB2 GLU 98 lone 1 64 - 2 - H LYS 13 - HB3 GLU 99 lone 1 72 - 1 - H LYS 13 - HB2 GLU 99 lone 1 72 - 1 - H ILE 15 - HB3 GLU 98 lone 1 74 - 1 - H GLU 75 - HB3 GLU 48 lone 1 34 - 3 - H ILE 15 - HB2 GLU 98 lone 1 71 - 1 - H GLU 75 - HB2 GLU 99 lone 1 69 - 1 - H LYS 13 - HB3 GLU 48 lone 1 36 - 2 - H GLU 75 - HB3 GLU 99 lone 1 69 - 1 - H LYS 13 - HB3 GLU 98 lone 1 71 - 1 - H LYS 13 - HB2 GLU 98 lone 1 68 - 1 - Peak 12267 from cnoeabs.peaks (8.06, 2.04, 29.40 ppm; 4.03 A): 0 out of 30 assignments used, low quality = 0.16: H GLU 17 - HB3 GLU 48 OK 16 55 - 30 - 6253/1.8=11, 6252/3.0=8...(7) H SER 102 - HB2 GLU 99 lone 6 98 - 6 - 4.6/10103=5 H SER 102 - HB3 GLU 99 lone 6 98 - 6 - 4.6/10103=5 H GLU 17 - HB3 GLU 99 lone 6 97 - 6 - 6258/3.0=2 H GLU 17 - HB2 GLU 99 lone 6 97 - 6 - 6258/3.0=2 H LYS 90 - HB3 GLU 99 lone 5 76 - 6 - 7426/4.7=1, 3.0/9948=1, ~9948=1 H LYS 90 - HB2 GLU 99 lone 5 76 - 6 - 3.0/9948=1, 7426/4.7=1 H LYS 90 - HB3 GLU 98 lone 2 74 - 3 - H SER 102 - HB3 GLU 98 lone 2 97 - 2 - 4.6/10103=1 H SER 102 - HB2 GLU 98 lone 2 94 - 2 - 4.6/10103=1 H GLU 17 - HB3 GLU 98 lone 2 96 - 2 - H LYS 90 - HB2 GLU 98 lone 2 71 - 3 - H GLU 17 - HB2 GLU 98 lone 2 93 - 2 - H ILE 15 - HB2 GLU 99 lone 2 76 - 2 - H ILE 15 - HB3 GLU 99 lone 2 76 - 2 - H ILE 15 - HB3 GLU 48 lone 2 38 - 4 - 758/3.0=1 H LYS 90 - HB3 GLU 48 lone 1 38 - 4 - H SER 102 - HB3 GLU 48 lone 1 56 - 3 - 4.6/10103=1 H GLU 75 - HB3 GLU 98 lone 1 67 - 2 - H GLU 75 - HB2 GLU 98 lone 1 64 - 2 - H LYS 13 - HB3 GLU 99 lone 1 72 - 1 - H LYS 13 - HB2 GLU 99 lone 1 72 - 1 - H ILE 15 - HB3 GLU 98 lone 1 74 - 1 - H GLU 75 - HB3 GLU 48 lone 1 34 - 3 - H ILE 15 - HB2 GLU 98 lone 1 71 - 1 - H GLU 75 - HB2 GLU 99 lone 1 69 - 1 - H LYS 13 - HB3 GLU 48 lone 1 36 - 2 - H GLU 75 - HB3 GLU 99 lone 1 69 - 1 - H LYS 13 - HB3 GLU 98 lone 1 71 - 1 - H LYS 13 - HB2 GLU 98 lone 1 68 - 1 - Peak 12268 from cnoeabs.peaks (-0.04, -0.03, 0.00 ppm; diagonal): 0 out of 0 assignments used, low quality = 0.00: Peak 12271 from cnoeabs.peaks (1.71, 5.34, 59.36 ppm; 3.47 A): 2 out of 30 assignments used, quality = 0.68: HB2 LEU 2 + HA ILE 52 OK 61 99 - 61 - 8046=13, 8051/3.8=11...(11) HB2 LEU 2 + HA THR 80 OK 17 54 - 32 - 8046=8, 1.8/8047=7...(10) HD3 LYS 12 - HA ILE 52 lone 6 99 - 6 - ~10392=1 HD2 LYS 12 - HA ILE 52 lone 6 99 - 6 - ~10392=1 HB3 LEU 70 - HA ILE 52 lone 6 92 - 6 - 9544/4.1=2 HD3 LYS 90 - HA THR 80 poor 5 48 - 11 - ~9729=2, ~3969=2...(6) HG LEU 70 - HA ILE 52 lone 5 97 - 5 - 2.1/12273=1 HG12 ILE 15 - HA ILE 52 lone 4 87 - 5 - HD3 LYS 24 - HA ILE 52 lone 3 94 - 4 - HD2 LYS 24 - HA ILE 52 lone 3 92 - 4 - HG2 PRO 86 - HA THR 80 lone 3 40 - 8 - 9887/3.0=1, ~9886=1...(4) HD3 LYS 13 - HA ILE 52 lone 3 100 - 3 - HD3 LYS 66 - HA ILE 52 lone 3 99 - 3 - 2951/3.6=1 HD2 LYS 13 - HA ILE 52 lone 3 99 - 3 - HG2 PRO 86 - HA ILE 52 lone 3 84 - 4 - HD3 LYS 66 - HA THR 80 lone 3 54 - 5 - ~9717=2 HD3 LYS 90 - HA ILE 52 lone 2 94 - 2 - HB3 LEU 70 - HA THR 80 lone 2 46 - 4 - HG LEU 70 - HA THR 80 lone 2 51 - 3 - HG12 ILE 15 - HA THR 80 lone 1 42 - 3 - HD3 LYS 12 - HA THR 80 lone 1 53 - 2 - HD2 LYS 12 - HA THR 80 lone 1 53 - 2 - HD3 LYS 24 - HA THR 80 lone 1 48 - 1 - HD2 LYS 24 - HA THR 80 lone 1 46 - 1 - HD2 LYS 33 - HA ILE 52 lone 1 61 - 1 - HD3 LYS 33 - HA ILE 52 lone 1 61 - 1 - HD3 LYS 13 - HA THR 80 lone 1 55 - 1 - HD2 LYS 33 - HA THR 80 lone 1 27 - 2 - 7319/3.6=1 HD3 LYS 33 - HA THR 80 lone 1 27 - 2 - 7319/3.6=1 HD2 LYS 13 - HA THR 80 lone 1 53 - 1 - Peak 12272 from cnoeabs.peaks (0.88, 5.34, 59.36 ppm; 4.92 A): 3 out of 10 assignments used, quality = 0.94: QD1 LEU 2 + HA ILE 52 OK 85 100 - 85 - 8049=24, 2.1/10356=22...(14) HG13 ILE 8 + HA ILE 52 OK 50 99 - 50 - 10640/4.1=8, 316/3.2=6...(19) QG2 ILE 76 + HA ILE 52 OK 27 100 - 27 - 10640/4.1=6, ~9139=3...(11) QD1 LEU 2 - HA THR 80 OK 27 55 - 48 - 3.1/8046=13, 3.1/8047=12...(12) HG13 ILE 7 - HA ILE 52 OK 26 92 - 29 - 265/3.6=6, 4.5/2341=4...(10) HG13 ILE 7 - HA THR 80 OK 12 46 - 26 - ~10373=14, ~12206=1...(6) QG2 ILE 76 - HA THR 80 poor 8 56 - 14 - 9628/8044=1, 58/8046=1 HG13 ILE 8 - HA THR 80 poor 8 54 - 14 - ~10682=3, ~10919=2, 10640/2375=1 QD1 LEU 103 - HA ILE 52 lone 4 61 - 6 - QD1 LEU 103 - HA THR 80 poor 3 27 - 11 - ~9723=4, ~12206=1 Peak 12273 from cnoeabs.peaks (0.81, 5.34, 59.36 ppm; 3.70 A): 5 out of 22 assignments used, quality = 0.75: QD2 LEU 2 + HA ILE 52 OK 54 99 - 55 - 3.1/12271=12...(11) QD2 LEU 38 + HA ILE 52 OK 18 92 - 20 - 2.1/2367=4, ~12070=2...(9) QD2 LEU 2 + HA THR 80 OK 16 54 - 29 - 3.1/8046=7, 3.1/8047=7...(5) QG2 ILE 7 + HA ILE 52 OK 11 81 - 14 - 4.0/2341=3, 249/3.6=3...(4) QD1 LEU 57 + HA THR 80 OK 11 36 - 31 - 9338/3.6=13, 9363/3.2=6...(9) QD1 LEU 57 - HA ILE 52 poor 9 77 - 11 - 9338/7311=2 QD1 ILE 76 - HA ILE 52 lone 9 87 - 10 - 3.2/12272=2, ~9153=1 QG2 VAL 32 - HA ILE 52 poor 7 61 - 12 - 4.0/2341=2, ~9153=2...(5) QD1 LEU 70 - HA ILE 52 lone 7 100 - 7 - 2.1/12271=1, 3.1/12271=1 QD2 LEU 57 - HA THR 80 poor 6 32 - 20 - ~9723=8, ~9363=4...(6) QD2 LEU 70 - HA ILE 52 lone 6 99 - 6 - 2.1/12271=1, 3.1/12271=1 QG2 ILE 15 - HA ILE 52 lone 6 100 - 6 - QG2 ILE 7 - HA THR 80 poor 5 38 - 13 - ~10373=5 QD2 LEU 57 - HA ILE 52 lone 5 70 - 7 - QD2 LEU 103 - HA ILE 52 lone 3 81 - 4 - QD1 LEU 70 - HA THR 80 lone 3 55 - 5 - 9736/3.6=1 QD2 LEU 38 - HA THR 80 lone 3 46 - 6 - 2.1/2367=1, 9736/3.6=1 QD2 LEU 103 - HA THR 80 lone 3 38 - 7 - 9736/3.6=2, ~10246=1 QD1 ILE 76 - HA THR 80 lone 3 42 - 6 - QG2 ILE 15 - HA THR 80 lone 2 55 - 4 - QD2 LEU 70 - HA THR 80 lone 2 53 - 4 - QG2 VAL 32 - HA THR 80 lone 1 27 - 5 - 9736/3.6=2, 10667/9299=1 Peak 12274 from cnoeabs.peaks (0.77, 1.70, 43.59 ppm; 3.56 A): 7 out of 9 assignments used, quality = 0.87: QG2 ILE 52 + HB2 LEU 2 OK 60 97 - 62 - 3.2/8051=13, 3.2/8046=12...(16) QD1 ILE 15 + HB2 LEU 2 OK 28 87 - 33 - ~10118=3, 3.0/57=3...(17) HG13 ILE 15 + HB2 LEU 2 OK 22 70 - 32 - 10118/3.1=3, 3.2/57=2...(17) QD1 LEU 27 + HB2 LEU 2 OK 15 100 - 15 - 3.1/55=2, 1223/1.8=2 QG1 VAL 54 + HB2 LEU 2 OK 15 92 - 16 - 3.2/10651=3, ~11070=2...(5) QG2 ILE 8 + HB2 LEU 2 OK 14 77 - 18 - 3.1/58=3, 3.0/12275=2...(6) QD1 LEU 6 + HB2 LEU 2 OK 10 100 - 10 - 2.1/12275=2, 2.1/56=1 QD1 ILE 93 - HB2 LEU 2 lone 8 100 - 7 - 10321/1.8=2 QD2 LEU 42 - HB2 LEU 2 lone 7 99 - 7 - 2.1/12275=1, 10599/8051=1 Peak 12275 from cnoeabs.peaks (0.70, 1.70, 43.59 ppm; 4.46 A): 4 out of 8 assignments used, quality = 0.91: QD1 ILE 52 + HB2 LEU 2 OK 72 100 - 72 - 2.1/8051=26, ~8052=16...(11) QD2 LEU 14 + HB2 LEU 2 OK 41 90 - 46 - 2.1/10404=5, 3.1/56=4...(24) QD1 ILE 8 + HB2 LEU 2 OK 27 87 - 31 - 2.1/58=5, ~66=3...(11) QD1 LEU 14 + HB2 LEU 2 OK 23 57 - 41 - 3.1/56=4, 2.1/55=4...(23) QD1 ILE 56 - HB2 LEU 2 OK 19 92 - 21 - ~9325=2, 10681/1.8=2...(6) QD2 LEU 6 - HB2 LEU 2 OK 16 90 - 18 - 2.1/12274=3, 2.1/56=2...(4) HG13 ILE 56 - HB2 LEU 2 OK 13 70 - 18 - ~9325=2, ~10680=2...(6) QD1 LEU 42 - HB2 LEU 2 OK 12 94 - 12 - 2364/8051=2, 2.1/12274=2 Peak 12277 from cnoeabs.peaks (2.02, 1.70, 43.59 ppm; 5.71 A): 5 out of 9 assignments used, quality = 0.97: HB3 MET 1 + HB2 LEU 2 OK 61 84 - 73 - ~8002=24, ~8009=18...(11) HB3 GLU 17 + HB2 LEU 2 OK 50 94 - 53 - ~12026=14, 8057/3.1=7...(12) HB2 GLU 35 + HB2 LEU 2 OK 46 96 - 49 - 8057/3.1=9, 8053/3.1=7...(15) HB3 LYS 94 + HB2 LEU 2 OK 46 97 - 47 - 8057/3.1=10, 8053/3.1=5...(16) HB2 GLN 50 + HB2 LEU 2 OK 41 96 - 43 - 10629/3.1=14...(6) QE MET 74 - HB2 LEU 2 OK 39 81 - 48 - 9603/1.8=13, 9588/4.6=9...(7) HB2 GLU 44 - HB2 LEU 2 poor 8 77 - 10 - ~8981=2, 6005/4.0=1, 8053/3.1=1 HB3 GLU 44 - HB2 LEU 2 poor 8 77 - 10 - ~8981=2, 6005/4.0=1, 8053/3.1=1 HB2 GLU 62 - HB2 LEU 2 lone 6 100 - 6 - 8057/3.1=1, 8053/3.1=1 Peak 12278 from cnoeabs.peaks (8.47, 3.81, 59.95 ppm; 5.13 A): 4 out of 10 assignments used, quality = 0.92: H ALA 67 + HA LYS 68 OK 82 98 - 83 - 7096/2.9=33, 7120/3.6=22...(21) H ALA 67 + HA ARG 19 OK 25 92 - 27 - 4.6/7106=7, 7084/3.6=4...(9) H LYS 53 + HA LYS 68 OK 25 97 - 25 - 6875/3.0=6, 7120/3.6=4...(7) H VAL 54 + HA LYS 68 OK 21 73 - 28 - 7103/2.9=5, 7120/3.6=5...(10) H VAL 32 - HA LYS 68 OK 20 98 - 21 - 7103/2.9=5, 2982/4.9=4...(4) H VAL 54 - HA ARG 19 OK 16 66 - 25 - 11106/3.0=4, 3.9/779=4...(8) H ILE 7 - HA ARG 19 OK 11 66 - 17 - 8270/3.0=4, 4.7/786=2...(5) H VAL 32 - HA ARG 19 OK 11 92 - 12 - 6509/3.0=2, 4.0/8512=2...(4) H ILE 7 - HA LYS 68 poor 8 73 - 11 - 8269/3.0=2, 6074/4.0=1 H LYS 53 - HA ARG 19 lone 6 90 - 6 - Peak 12279 from cnoeabs.peaks (0.47, 1.33, 44.08 ppm; 5.58 A): 0 out of 0 assignments used, low quality = 0.00: Peak 12280 from cnoeabs.peaks (2.96, 2.13, 35.87 ppm; 4.46 A): 0 out of 24 assignments used, low quality = 0.27: HB3 PHE 45 - HG2 GLU 44 OK 19 68 - 28 - 3.7/8990=7, 3.7/8990=7...(6) HB2 ASN 51 - HG2 GLU 44 OK 11 70 - 15 - 9111/3.0=4, 9111/3.0=4...(6) HE2 LYS 47 - HG2 GLU 44 poor 8 47 - 17 - 8977/4.0=6, 3.8/10798=3...(6) HE3 LYS 47 - HG2 GLU 44 poor 8 47 - 17 - 8977/4.0=6, 3.8/10798=3...(6) HB3 PHE 45 - HG2 GLU 69 lone 6 87 - 7 - 3.7/6726=3, ~10182=2 HE3 LYS 13 - HG2 GLU 44 lone 6 82 - 7 - 8977/4.0=1 HE2 LYS 13 - HG2 GLU 44 lone 6 80 - 7 - 8977/4.0=1 HE2 LYS 24 - HG2 GLU 44 lone 5 78 - 6 - 8977/4.0=1 HE3 LYS 24 - HG2 GLU 44 lone 5 78 - 6 - 8977/4.0=1 HE2 LYS 73 - HG2 GLU 44 lone 3 79 - 4 - HE3 LYS 73 - HG2 GLU 44 lone 3 70 - 4 - HE2 LYS 73 - HG2 GLU 69 lone 2 97 - 2 - HE3 LYS 12 - HG2 GLU 44 lone 2 72 - 3 - HE3 LYS 73 - HG2 GLU 69 lone 2 90 - 2 - HE3 LYS 13 - HG2 GLU 69 lone 2 99 - 2 - HE2 LYS 13 - HG2 GLU 69 lone 2 98 - 2 - HE3 LYS 47 - HG2 GLU 69 lone 2 63 - 3 - HE2 LYS 47 - HG2 GLU 69 lone 2 63 - 3 - HB2 ASN 51 - HG2 GLU 69 lone 1 90 - 2 - HE2 LYS 24 - HG2 GLU 69 lone 1 96 - 1 - HE3 LYS 24 - HG2 GLU 69 lone 1 96 - 1 - HG2 MET 21 - HG2 GLU 44 lone 1 53 - 3 - HE3 LYS 12 - HG2 GLU 69 lone 1 92 - 1 - HG2 MET 21 - HG2 GLU 69 lone 1 71 - 2 - Peak 12281 from cnoeabs.peaks (2.94, 2.34, 35.87 ppm; 4.10 A): 0 out of 21 assignments used, low quality = 0.32: HB2 ASN 10 - HG2 GLU 48 OK 19 55 - 34 - 8360/1.8=9, 8354/4.1=7...(9) HB2 ASN 51 - HG2 GLU 48 OK 16 49 - 32 - 10632/3.0=11, ~9114=11...(6) HB2 ASN 51 - HG2 GLU 16 poor 9 77 - 12 - ~9114=4, 10632/1.8=4...(4) HG2 MET 21 - HG2 GLU 48 lone 4 58 - 7 - 979/3.0=2 HE3 LYS 90 - HG2 GLU 48 lone 4 60 - 6 - ~12232=2, ~12236=2 HB2 ASN 10 - HG2 GLU 16 lone 3 86 - 4 - HB2 ASN 10 - HG3 GLU 69 lone 3 95 - 3 - HE2 LYS 94 - HG3 GLU 69 lone 2 75 - 3 - HE3 LYS 90 - HG3 GLU 69 lone 2 99 - 2 - HB2 ASN 51 - HG3 GLU 69 lone 2 87 - 2 - HG2 MET 21 - HG3 GLU 69 lone 2 97 - 2 - HE3 LYS 73 - HG3 GLU 69 lone 1 87 - 2 - HE3 LYS 90 - HG2 GLU 16 lone 1 91 - 1 - HG2 MET 21 - HG2 GLU 16 lone 1 89 - 1 - HE2 LYS 94 - HG2 GLU 16 lone 1 65 - 2 - HE2 LYS 73 - HG3 GLU 69 lone 1 71 - 2 - HE3 LYS 73 - HG2 GLU 48 lone 1 49 - 2 - HE2 LYS 73 - HG2 GLU 48 lone 1 37 - 2 - HE3 LYS 73 - HG2 GLU 16 lone 1 77 - 1 - HE2 LYS 73 - HG2 GLU 16 lone 1 62 - 1 - HE2 LYS 94 - HG2 GLU 48 lone 1 40 - 1 - Peak 12282 from cnoeabs.peaks (7.43, 2.22, 29.86 ppm; 5.00 A): 0 out of 0 assignments used, low quality = 0.00: Peak 12283 from cnoeabs.peaks (0.87, 2.38, 33.69 ppm; 5.34 A): 0 out of 0 assignments used, low quality = 0.00: Peak 12284 from cnoeabs.peaks (4.42, 2.67, 39.58 ppm; 5.32 A): 4 out of 9 assignments used, quality = 0.95: HA MET 21 + HB3 ASN 51 OK 75 99 - 76 - 3.0/2332=12, 948/3.5=11...(19) HA ILE 76 + HB3 ASN 51 OK 43 84 - 52 - 3.0/10634=19...(10) HA GLU 48 + HB3 ASN 51 OK 42 84 - 50 - 3.0/9114=25, ~10632=17...(6) HA GLN 50 + HB3 ASN 51 OK 42 70 - 61 - 3.6/6836=34, 3.0/2327=11...(9) HA VAL 32 - HB3 ASN 51 OK 23 99 - 23 - 9139/4.6=5, 9129/3.5=3...(7) HA MET 74 - HB3 ASN 51 OK 11 87 - 12 - 4.8/9134=3, 6828/4.0=2...(6) HA ALA 25 - HB3 ASN 51 lone 7 100 - 7 - 9128/3.5=1, 9139/4.6=1 HA SER 9 - HB3 ASN 51 lone 7 81 - 9 - 9139/4.6=2, 3418/10634=1 HA HIS 106 - HB3 ASN 51 lone 6 96 - 6 - Peak 12285 from cnoeabs.peaks (6.91, 2.83, 41.80 ppm; 5.36 A): 0 out of 2 assignments used, low quality = 0.00: HE21 GLN 50 - HE2 LYS 53 lone 1 81 - 1 - HE21 GLN 50 - HE3 LYS 53 lone 1 76 - 1 - Peak 12288 from cnoeabs.peaks (2.10, 1.60, 27.82 ppm; 4.81 A): 5 out of 9 assignments used, quality = 0.92: HB3 PRO 86 + HD2 LYS 66 OK 63 100 - 63 - 2.3/2931=11, 2.3/12289=8...(29) HB2 LEU 64 + HD2 LYS 66 OK 46 90 - 52 - ~9485=7, ~9479=6...(22) HB2 PRO 86 + HD2 LYS 66 OK 39 65 - 59 - 2.3/2931=11, 2.3/12289=8...(30) QE MET 21 + HD2 LYS 66 OK 21 100 - 21 - 8540/5.1=4, 10443=4...(4) HB3 GLU 62 + HD2 LYS 66 OK 20 84 - 24 - 2.9/12290=9, 2.9/12290=9...(4) HG3 GLU 37 - HD2 LYS 66 lone 9 96 - 9 - 1.8/12290=4 HG3 GLU 104 - HD2 LYS 66 lone 8 99 - 7 - 4545/3.6=1 HB2 GLU 23 - HD2 LYS 66 lone 7 77 - 10 - 2.9/12290=3, 4.0/10458=1 HB VAL 83 - HD2 LYS 66 lone 7 90 - 8 - ~9811=1, 9804/12319=1 Peak 12289 from cnoeabs.peaks (2.19, 1.60, 27.82 ppm; 4.82 A): 4 out of 8 assignments used, quality = 0.95: HB2 GLU 63 + HD2 LYS 66 OK 59 100 - 59 - 2775/3.6=9, 1.8/2932=9...(15) HG3 PRO 86 + HD2 LYS 66 OK 53 100 - 53 - 2.3/12288=11, 3.8/2931=8...(21) HG3 GLU 35 + HD2 LYS 66 OK 47 100 - 47 - 12308=9, 1.8/12308=8...(20) HG2 GLU 35 + HD2 LYS 66 OK 47 100 - 47 - 12308=9, 1.8/12308=8...(20) HB2 GLU 95 - HD2 LYS 66 OK 11 92 - 11 - 2.9/12290=4, 4.0/7535=2 HG2 GLU 43 - HD2 LYS 66 lone 7 98 - 7 - 3.7/9509=1 HG2 MET 1 - HD2 LYS 66 lone 5 99 - 5 - HB3 GLU 75 - HD2 LYS 66 lone 4 99 - 4 - Peak 12290 from cnoeabs.peaks (2.27, 1.60, 27.82 ppm; 5.31 A): 3 out of 5 assignments used, quality = 0.48: HG2 GLU 62 + HD2 LYS 66 OK 24 100 - 24 - 12287/6.1=7, 12300=4...(8) HG3 GLU 62 + HD2 LYS 66 OK 24 100 - 24 - 12287/6.1=7, 12300=4...(8) HG2 GLU 95 + HD2 LYS 66 OK 10 98 - 10 - 4.8/7535=2, 2.9/12289=2...(4) HG2 GLU 23 - HD2 LYS 66 lone 8 99 - 8 - 2.9/12288=1, 12287/6.1=1 HG2 GLU 37 - HD2 LYS 66 lone 8 97 - 8 - 12287/6.1=3, 1.8/12288=2 Peak 12291 from cnoeabs.peaks (2.49, 1.58, 27.71 ppm; 4.98 A): 0 out of 7 assignments used, low quality = 0.22: HG3 GLU 23 - HG2 ARG 19 OK 22 99 - 22 - 10464=10, 12338/4.0=4...(4) HB2 ASP 87 - HG2 ARG 19 lone 6 90 - 6 - 3.0/9910=3 HB3 ASP 87 - HG2 ARG 19 lone 6 90 - 6 - 3.0/9910=3 HD2 ARG 91 - HG2 ARG 19 lone 6 100 - 5 - HG3 GLU 98 - HG2 ARG 19 lone 5 84 - 6 - 4.9/816=3, 4397/4.9=2 HB2 ASP 36 - HG2 ARG 19 lone 1 61 - 2 - HB3 ASP 36 - HG2 ARG 19 lone 1 57 - 2 - Peak 12292 from cnoeabs.peaks (4.38, 0.78, 26.58 ppm; 5.06 A): 0 out of 0 assignments used, low quality = 0.00: Peak 12293 from cnoeabs.peaks (0.86, 2.17, 28.76 ppm; 4.93 A): 0 out of 3 assignments used, low quality = 0.12: QD1 LEU 38 - HB3 GLN 50 OK 12 56 - 22 - 10626/2.9=10, ~9098=4...(5) QD1 LEU 103 - HB3 GLN 50 poor 8 54 - 15 - 10626/2.9=7, ~9098=3 QD2 LEU 64 - HB3 GLN 50 poor 7 56 - 13 - 10626/2.9=6, 10629/1.8=2 Peak 12295 from cnoeabs.peaks (8.26, 4.10, 58.26 ppm; 4.64 A): 3 out of 4 assignments used, quality = 0.60: H GLU 23 + HA LYS 24 OK 45 87 - 52 - 6395/3.6=19, 6369/3.0=17...(8) H LYS 94 + HA LYS 24 OK 17 100 - 17 - 6395/3.6=6, 7515/4.8=4...(4) H ALA 71 + HA LYS 24 OK 12 99 - 12 - 6395/3.6=2, ~10829=2...(5) H PHE 45 - HA LYS 24 lone 6 99 - 6 - Peak 12297 from cnoeabs.peaks (0.81, 4.16, 57.75 ppm; 4.75 A): 4 out of 10 assignments used, quality = 0.55: QD2 LEU 2 + HA LYS 73 OK 31 61 - 51 - 83/3.0=13, 12305=10...(12) QD2 LEU 70 + HA LYS 73 OK 14 61 - 23 - 9577/3.0=6, ~9576=5...(5) QD1 ILE 76 + HA LYS 73 OK 13 51 - 26 - 9592/3.6=8, 9577/3.0=4...(11) QD1 LEU 70 + HA LYS 73 OK 13 59 - 22 - 9577/3.0=5, ~9576=5...(4) QG2 ILE 15 - HA LYS 73 poor 8 62 - 13 - 9592/3.6=3, 9577/3.0=2 QG2 ILE 7 - HA LYS 73 lone 4 47 - 8 - 9592/3.6=2, 9577/3.0=2 QD2 LEU 57 - HA LYS 73 lone 4 40 - 9 - 9577/3.0=2 QD2 LEU 38 - HA LYS 73 lone 3 47 - 6 - 9592/3.6=3 QD1 LEU 57 - HA LYS 73 lone 2 36 - 6 - ~9577=1 QD2 LEU 103 - HA LYS 73 lone 1 38 - 3 - Peak 12298 from cnoeabs.peaks (1.41, 2.53, 33.69 ppm; 4.80 A): 1 out of 2 assignments used, quality = 0.55: QB ALA 71 + HG3 GLN 72 OK 55 65 - 84 - 10842/3.0=31...(10) HG12 ILE 7 - HG3 GLN 72 poor 4 35 - 10 - 10846/3.0=3, 10842/3.0=3 Peak 12299 from cnoeabs.peaks (3.02, 1.70, 26.58 ppm; 4.70 A): 0 out of 0 assignments used, low quality = 0.00: Peak 12300 from cnoeabs.peaks (1.60, 2.26, 36.63 ppm; 4.50 A): 5 out of 65 assignments used, quality = 0.87: HD3 LYS 94 + HG2 GLU 62 OK 46 100 - 46 - 4244/2.9=7, 12251/2.9=7...(19) HD3 LYS 94 + HG3 GLU 62 OK 46 100 - 46 - 4244/2.9=7, 12251/2.9=7...(19) HD2 LYS 66 + HG2 GLU 62 OK 28 100 - 28 - 12290=10, 12290/1.8=9...(6) HD2 LYS 66 + HG3 GLU 62 OK 28 100 - 28 - 12290=10, 12290/1.8=9...(6) HD3 LYS 94 + HG2 GLU 23 OK 15 40 - 37 - ~10465=8, ~12257=8...(9) HG3 LYS 73 - HG2 GLU 95 poor 9 66 - 14 - 9581/4.1=3, 12183/2.9=3...(6) HB2 ARG 79 - HG2 GLU 62 lone 7 100 - 7 - 3513/4.9=5, 4.6/2755=1 HB2 ARG 79 - HG3 GLU 62 lone 7 100 - 7 - 3513/4.9=5, 4.6/2755=1 HD2 LYS 66 - HG2 GLU 95 poor 7 65 - 10 - 12290=4, 7535/4.8=2, 12289/2.9=1 HD3 LYS 94 - HG2 GLU 95 lone 6 66 - 10 - 4251/4.8=7 HD3 LYS 94 - HG2 GLU 37 lone 5 62 - 8 - 12251/1.8=2, ~12250=1 HD2 LYS 66 - HG2 GLU 37 lone 5 62 - 8 - 12290=3, 6.1/12287=2 HG3 LYS 90 - HG2 GLU 62 lone 5 77 - 6 - ~10310=1 HG3 LYS 90 - HG3 GLU 62 lone 5 77 - 6 - ~10310=1 HG LEU 27 - HG2 GLU 95 lone 4 66 - 7 - 7535/4.8=2, ~10041=2 HB2 LEU 103 - HG3 GLU 62 lone 4 81 - 5 - 4.3/7554=2 HB2 LEU 103 - HG2 GLU 62 lone 4 81 - 5 - 4.3/7554=2 HG2 ARG 19 - HG2 GLU 23 poor 4 27 - 15 - 12291/1.8=10, ~8525=2 HG3 LYS 73 - HG2 GLU 37 lone 4 62 - 6 - 3281/5.0=3, ~8846=1 HG2 LYS 24 - HG2 GLU 62 lone 4 84 - 4 - 5.1/6380=2 HG2 LYS 24 - HG3 GLU 62 lone 4 84 - 4 - 5.1/6380=2 HB3 LEU 29 - HG2 GLU 37 lone 3 61 - 6 - ~8848=2, ~8838=1 HD2 LYS 66 - HG2 GLU 23 lone 3 39 - 9 - 12290=3, 12288/2.9=1 HG2 LYS 24 - HG2 GLU 23 poor 3 28 - 12 - 5.1/6380=5, 10458/5.0=3 HG3 LYS 12 - HG2 GLU 95 lone 3 63 - 5 - 9581/4.1=1, 7535/4.8=1 HG LEU 27 - HG2 GLU 62 lone 3 100 - 3 - HG LEU 27 - HG3 GLU 62 lone 3 100 - 3 - HG3 LYS 73 - HG3 GLU 62 lone 3 100 - 3 - HG3 LYS 73 - HG2 GLU 62 lone 3 100 - 3 - HG LEU 27 - HG2 GLU 23 lone 3 40 - 7 - 10458/5.0=2, ~10465=2 HB2 LEU 103 - HG2 GLU 23 poor 3 27 - 11 - 4474/5.0=4, 4.3/7554=2...(4) HG3 LYS 73 - HG2 GLU 23 lone 3 40 - 7 - 12183/2.9=1 HB2 LEU 103 - HG2 GLU 95 lone 3 46 - 6 - 4.3/7554=3, 7535/4.8=1 HB2 ARG 30 - HG2 GLU 62 lone 3 99 - 3 - HB2 ARG 30 - HG3 GLU 62 lone 3 99 - 3 - HB2 ARG 30 - HG2 GLU 95 lone 2 64 - 4 - 7535/4.8=3 HB3 LEU 29 - HG2 GLU 23 lone 2 39 - 6 - 10458/5.0=3, ~10459=2 HG LEU 103 - HG2 GLU 62 lone 2 70 - 3 - HG LEU 103 - HG3 GLU 62 lone 2 70 - 3 - HG3 LYS 12 - HG3 GLU 62 lone 2 99 - 2 - HG3 LYS 12 - HG2 GLU 62 lone 2 99 - 2 - HG2 LYS 24 - HG2 GLU 95 lone 2 49 - 4 - 5.1/6380=2 HG3 LYS 12 - HG2 GLU 23 lone 2 38 - 5 - ~10459=1 HB3 LEU 29 - HG3 GLU 62 lone 2 100 - 2 - HB3 LEU 29 - HG2 GLU 62 lone 2 100 - 2 - HG3 LYS 90 - HG2 GLU 23 lone 2 25 - 8 - ~11077=1, ~10308=1...(5) HG2 LYS 24 - HG2 GLU 37 lone 2 45 - 4 - HG2 ARG 19 - HG3 GLU 62 lone 2 81 - 2 - HG2 ARG 19 - HG2 GLU 62 lone 2 81 - 2 - HB2 LEU 103 - HG2 GLU 37 lone 2 43 - 4 - HG LEU 103 - HG2 GLU 23 lone 2 22 - 8 - 4490/5.0=3, ~10464=2 HG LEU 103 - HG2 GLU 37 lone 1 36 - 4 - HG2 ARG 19 - HG2 GLU 95 lone 1 46 - 3 - HB3 LEU 29 - HG2 GLU 95 lone 1 65 - 2 - HB2 ARG 30 - HG2 GLU 37 lone 1 60 - 2 - HG3 LYS 12 - HG2 GLU 37 lone 1 59 - 2 - HG LEU 27 - HG2 GLU 37 lone 1 62 - 2 - HB2 ARG 79 - HG2 GLU 95 lone 1 66 - 2 - HG3 LYS 90 - HG2 GLU 95 lone 1 44 - 3 - 7535/4.8=1 HB2 ARG 79 - HG2 GLU 37 lone 1 62 - 1 - HG LEU 103 - HG2 GLU 95 lone 1 38 - 2 - HB2 ARG 30 - HG2 GLU 23 lone 1 38 - 2 - HG2 ARG 19 - HG2 GLU 37 lone 1 43 - 2 - HB2 ARG 79 - HG2 GLU 23 lone 1 40 - 2 - HG3 LYS 90 - HG2 GLU 37 lone 1 41 - 1 - Peak 12301 from cnoeabs.peaks (3.18, 4.41, 56.92 ppm; 3.82 A): 1 out of 10 assignments used, quality = 0.99: HB2 HIS 106 + HA HIS 106 OK 99 99 - 100 - 3.0=100 HB2 HIS 106 - HA MET 21 OK 20 92 - 21 - 11093=7, 1.8/11094=5...(6) HD3 ARG 46 - HA HIS 106 OK 16 84 - 19 - 1.8/9012=5, 9013=4...(9) HD2 ARG 19 - HA MET 21 lone 6 92 - 6 - ~10441=3, 3.0/8565=1 HD3 ARG 19 - HA MET 21 lone 6 92 - 6 - ~10441=3, 3.0/8565=1 HD2 ARG 19 - HA HIS 106 lone 4 99 - 4 - HD3 ARG 19 - HA HIS 106 lone 4 99 - 4 - HD3 ARG 46 - HA MET 21 lone 4 74 - 5 - 1.8/9012=1, 9013=1 HB3 TRP 92 - HA HIS 106 lone 2 77 - 3 - HB3 TRP 92 - HA MET 21 lone 1 67 - 1 - Peak 12302 from cnoeabs.peaks (5.09, 1.43, 25.00 ppm; 5.29 A): 0 out of 1 assignment used, low quality = 0.00: HA VAL 5 - HG2 LYS 13 lone 7 81 - 9 - 3.2/10192=3, 3.0/8186=1 Peak 12305 from cnoeabs.peaks (4.16, 0.81, 23.49 ppm; 5.43 A): 3 out of 6 assignments used, quality = 0.94: HA MET 1 + QD2 LEU 2 OK 79 97 - 81 - 8002/4.0=29, 8/4.7=28...(14) HA LYS 73 + QD2 LEU 2 OK 62 97 - 64 - 12297=17, 3.0/83=14...(14) HA GLN 72 + QD2 LEU 2 OK 29 92 - 32 - 3.6/83=13, 10355/3.1=4...(5) HA LYS 13 - QD2 LEU 2 OK 27 92 - 30 - 3.9/10394=4, 10355/3.1=4...(8) HB2 SER 59 - QD2 LEU 2 OK 13 98 - 13 - 4.6/9419=4, 4.0/9396=3 HA GLU 23 - QD2 LEU 2 lone 5 65 - 7 - 10355/3.1=1 Peak 12306 from cnoeabs.peaks (4.09, 2.98, 41.89 ppm; 3.76 A): 0 out of 8 assignments used, low quality = 0.22: HA LYS 24 - HE3 LYS 47 OK 11 58 - 20 - 1058/1.8=2, 1054/3.8=2...(6) HA LYS 24 - HE2 LYS 47 OK 11 58 - 20 - 1058/1.8=2, 1054/3.8=2...(6) HA ARG 46 - HE3 LYS 47 poor 8 45 - 19 - 3.6/6777=4, 3.0/6743=3...(6) HA ARG 46 - HE2 LYS 47 poor 8 45 - 19 - 3.6/6777=4, 3.0/6743=3...(6) HA PRO 86 - HE2 LYS 47 lone 5 71 - 6 - 9894/4.9=1 HA PRO 86 - HE3 LYS 47 lone 5 71 - 6 - 9894/4.9=1 HA LYS 66 - HE2 LYS 47 lone 2 55 - 3 - 6762/6.6=1 HA LYS 66 - HE3 LYS 47 lone 2 55 - 3 - 6762/6.6=1 Peak 12307 from cnoeabs.peaks (8.04, 0.46, 24.71 ppm; 6.50 A): 2 out of 3 assignments used, quality = 0.61: H SER 102 + QD1 LEU 3 OK 47 77 - 61 - 3.6/10107=23, ~10114=22...(5) H LYS 90 + QD1 LEU 3 OK 27 100 - 27 - 4.9/136=6, ~3915=6...(7) H GLU 17 - QD1 LEU 3 poor 8 61 - 14 - 5.1/8095=5, 6256/8013=2 Peak 12308 from cnoeabs.peaks (1.61, 2.20, 36.41 ppm; 4.23 A): 7 out of 30 assignments used, quality = 0.80: HD2 LYS 66 + HG2 GLU 35 OK 38 98 - 39 - 12289=7, 12289/1.8=6...(20) HD2 LYS 66 + HG3 GLU 35 OK 38 98 - 39 - 12289=7, 12289/1.8=6...(20) HD3 LYS 94 + HG2 GLU 35 OK 15 94 - 15 - 4244/2.9=2, ~4233=2...(5) HD3 LYS 94 + HG3 GLU 35 OK 15 94 - 15 - 4244/2.9=2, ~4233=2...(5) HD3 LYS 94 + HG2 GLU 43 OK 13 61 - 21 - ~10605=3, 6.3/11007=2...(10) HD2 LYS 94 + HG2 GLU 35 OK 10 70 - 15 - ~4244=2, 6.3/11007=1...(5) HD2 LYS 94 + HG3 GLU 35 OK 10 70 - 15 - ~4244=2, 6.3/11007=1...(5) HD2 LYS 94 - HG2 GLU 43 poor 8 42 - 20 - ~10605=3, 6.3/11007=2...(10) HG3 LYS 47 - HG3 GLU 35 lone 7 77 - 9 - HG3 LYS 47 - HG2 GLU 35 lone 7 77 - 9 - HG3 LYS 47 - HG2 GLU 43 lone 4 47 - 9 - HG3 LYS 73 - HG2 GLU 35 lone 4 94 - 4 - HG3 LYS 73 - HG3 GLU 35 lone 4 94 - 4 - HD2 LYS 66 - HG2 GLU 43 lone 4 66 - 6 - 12289=1 HB2 ARG 30 - HG2 GLU 35 lone 3 99 - 3 - HB2 ARG 30 - HG3 GLU 35 lone 3 99 - 3 - HG LEU 27 - HG3 GLU 35 lone 2 94 - 2 - HG LEU 27 - HG2 GLU 35 lone 2 94 - 2 - HB2 ARG 30 - HG2 GLU 43 lone 2 69 - 3 - ~10511=1 HG3 LYS 12 - HG3 GLU 35 lone 2 84 - 2 - HG3 LYS 12 - HG2 GLU 35 lone 2 84 - 2 - HB2 ARG 79 - HG3 GLU 35 lone 2 97 - 2 - HB2 ARG 79 - HG2 GLU 35 lone 2 97 - 2 - HG LEU 27 - HG2 GLU 43 lone 2 61 - 3 - HG3 LYS 73 - HG2 GLU 43 lone 1 61 - 2 - HB3 LEU 29 - HG3 GLU 35 lone 1 90 - 1 - HB3 LEU 29 - HG2 GLU 35 lone 1 90 - 1 - HB2 ARG 79 - HG2 GLU 43 lone 1 65 - 1 - HG3 LYS 12 - HG2 GLU 43 lone 1 52 - 2 - HB3 LEU 29 - HG2 GLU 43 lone 1 57 - 1 - Peak 12309 from cnoeabs.peaks (1.68, 2.20, 36.41 ppm; 4.02 A): 13 out of 66 assignments used, quality = 0.94: HG2 PRO 86 + HG2 GLU 35 OK 23 92 - 25 - 2.3/3819=3, 2.3/3827=3...(10) HG2 PRO 86 + HG3 GLU 35 OK 23 92 - 25 - 2.3/3819=3, 2.3/3827=3...(10) HG LEU 70 + HG2 GLU 35 OK 23 73 - 31 - ~10278=5, 2.1/9548=3...(15) HG LEU 70 + HG3 GLU 35 OK 23 73 - 31 - ~10278=5, 2.1/9548=3...(15) HD3 LYS 66 + HG2 GLU 35 OK 21 61 - 34 - 1.8/12308=6, ~12308=5...(17) HD3 LYS 66 + HG3 GLU 35 OK 21 61 - 34 - 1.8/12308=6, ~12308=5...(17) HB3 LYS 40 + HG2 GLU 43 OK 20 70 - 29 - ~1781=5, ~1780=4...(11) HB3 ARG 91 + HG2 GLU 35 OK 20 100 - 20 - 12058/2.9=3, 4036/4.1=2...(6) HB3 ARG 91 + HG3 GLU 35 OK 20 100 - 20 - 12058/2.9=3, 4036/4.1=2...(6) HB2 LEU 2 + HG3 GLU 35 OK 17 61 - 28 - 3.1/8054=4, 3.1/8058=3...(13) HB2 LEU 2 + HG2 GLU 35 OK 17 61 - 28 - 3.1/8054=4, 3.1/8058=3...(13) HB3 ARG 91 + HG2 GLU 43 OK 12 71 - 17 - ~1985=2, ~1956=1...(10) HB2 LEU 2 + HG2 GLU 43 OK 11 36 - 30 - ~8055=8, ~10605=5...(8) HD3 LYS 47 - HG2 GLU 35 lone 9 100 - 9 - 12058/2.9=1 HD3 LYS 47 - HG3 GLU 35 lone 9 100 - 9 - 12058/2.9=1 HD2 LYS 47 - HG2 GLU 35 lone 9 100 - 9 - 12058/2.9=1 HD2 LYS 47 - HG3 GLU 35 lone 9 100 - 9 - 12058/2.9=1 HD3 LYS 90 - HG3 GLU 35 lone 7 81 - 9 - ~10310=1, 12058/2.9=1, ~11077=1 HD3 LYS 90 - HG2 GLU 35 lone 7 81 - 9 - ~10310=1, 12058/2.9=1, ~11077=1 HB ILE 52 - HG2 GLU 43 poor 7 55 - 13 - ~10607=3, 10645/1.8=2...(6) HB3 LYS 40 - HG3 GLU 35 lone 7 100 - 7 - HB3 LYS 40 - HG2 GLU 35 lone 7 100 - 7 - HG LEU 70 - HG2 GLU 43 poor 6 44 - 15 - ~10606=3, ~10608=3...(5) HD3 LYS 47 - HG2 GLU 43 lone 6 70 - 9 - ~10603=1 HD2 LYS 47 - HG2 GLU 43 lone 6 70 - 9 - HD2 LYS 20 - HG2 GLU 43 lone 6 68 - 9 - ~10603=1, ~10604=1 HG3 LYS 20 - HG2 GLU 43 lone 6 63 - 9 - ~10604=1 HB ILE 52 - HG3 GLU 35 lone 6 87 - 6 - 3.0/9160=1 HB ILE 52 - HG2 GLU 35 lone 6 87 - 6 - 3.0/9160=1 HD3 LYS 20 - HG2 GLU 43 lone 6 63 - 9 - ~10603=1, ~10604=1 HD2 LYS 20 - HG3 GLU 35 lone 5 99 - 5 - HD2 LYS 20 - HG2 GLU 35 lone 5 99 - 5 - HD3 LYS 20 - HG3 GLU 35 lone 5 96 - 5 - HD3 LYS 20 - HG2 GLU 35 lone 5 96 - 5 - HG2 PRO 86 - HG2 GLU 43 lone 5 59 - 8 - 2.3/3819=1, 2.3/3827=1 HG3 LYS 20 - HG3 GLU 35 lone 5 96 - 5 - HG3 LYS 20 - HG2 GLU 35 lone 5 96 - 5 - HB3 LYS 53 - HG2 GLU 35 lone 3 100 - 3 - HB3 LYS 53 - HG3 GLU 35 lone 3 100 - 3 - HD2 LYS 73 - HG2 GLU 35 lone 3 77 - 4 - HD2 LYS 73 - HG3 GLU 35 lone 3 77 - 4 - HG12 ILE 15 - HG3 GLU 35 lone 3 90 - 3 - HG12 ILE 15 - HG2 GLU 35 lone 3 90 - 3 - HD3 LYS 73 - HG2 GLU 35 lone 3 70 - 4 - HD3 LYS 73 - HG3 GLU 35 lone 3 70 - 4 - HG12 ILE 15 - HG2 GLU 43 lone 2 57 - 4 - HD2 LYS 24 - HG3 GLU 35 lone 2 84 - 2 - HD2 LYS 24 - HG2 GLU 35 lone 2 84 - 2 - HD3 LYS 24 - HG2 GLU 35 lone 2 81 - 2 - HD3 LYS 24 - HG3 GLU 35 lone 2 81 - 2 - HD3 LYS 66 - HG2 GLU 43 lone 2 36 - 4 - HB3 LYS 53 - HG2 GLU 43 lone 2 70 - 2 - HD3 LYS 12 - HG3 GLU 35 lone 1 65 - 2 - HD3 LYS 12 - HG2 GLU 35 lone 1 65 - 2 - HD2 LYS 12 - HG3 GLU 35 lone 1 65 - 2 - HD2 LYS 12 - HG2 GLU 35 lone 1 65 - 2 - HD2 LYS 13 - HG3 GLU 35 lone 1 65 - 2 - HD2 LYS 13 - HG2 GLU 35 lone 1 65 - 2 - HD3 LYS 90 - HG2 GLU 43 lone 1 50 - 3 - 10610/5.0=1 HD2 LYS 73 - HG2 GLU 43 lone 1 47 - 2 - HD2 LYS 13 - HG2 GLU 43 lone 1 39 - 3 - HD3 LYS 73 - HG2 GLU 43 lone 1 42 - 2 - HD2 LYS 24 - HG2 GLU 43 lone 1 52 - 1 - HD3 LYS 12 - HG2 GLU 43 lone 1 39 - 2 - HD2 LYS 12 - HG2 GLU 43 lone 1 39 - 2 - HD3 LYS 24 - HG2 GLU 43 lone 1 50 - 1 - Peak 12310 from cnoeabs.peaks (1.46, 3.71, 58.70 ppm; 3.77 A): 4 out of 14 assignments used, quality = 0.97: HD2 LYS 40 + HA GLU 37 OK 68 98 - 69 - 3.5/1585=15, 3.5/1794=12...(18) HD3 LYS 40 + HA GLU 37 OK 67 97 - 69 - 3.5/1585=15, 3.5/1794=12...(18) HB2 LEU 38 + HA GLU 37 OK 53 100 - 53 - 1626/3.6=25, 3.0/10543=7...(13) HG LEU 38 + HA GLU 37 OK 42 100 - 43 - 1642/3.6=16, 3.7/10543=6...(11) HG3 ARG 91 - HA GLU 37 OK 14 98 - 14 - 1642/3.6=3, 2.8/1586=2 HG13 ILE 52 - HA GLU 37 OK 13 100 - 13 - 1642/3.6=3, 3.0/1586=1 HG2 LYS 20 - HA GLU 37 OK 13 100 - 12 - 1.8/1586=2, 2.8/1586=2 HD2 LYS 53 - HA GLU 37 OK 12 100 - 12 - 12114/3.0=2, 3.6/1586=1 HG3 LYS 39 - HA GLU 37 OK 11 70 - 15 - 5.2/6595=5, 3.0/1585=2...(5) HG2 LYS 53 - HA GLU 37 lone 10 99 - 10 - 3.0/1586=1, ~12114=1 HG3 LYS 53 - HA GLU 37 lone 9 92 - 10 - 3.0/1586=1, ~12114=1 HD2 LYS 82 - HA GLU 37 lone 8 100 - 8 - HB2 LEU 27 - HA GLU 37 lone 5 100 - 5 - HG2 LYS 12 - HA GLU 37 lone 4 84 - 5 - Peak 12311 from cnoeabs.peaks (7.46, 1.91, 29.24 ppm; 5.55 A): 3 out of 5 assignments used, quality = 0.77: HE ARG 46 + HB2 GLU 43 OK 48 96 - 51 - ~12084=16, 12312/1.8=15...(8) H LYS 47 + HB2 GLU 43 OK 33 92 - 37 - 6778/4.4=10...(6) H ARG 91 + HB2 GLU 43 OK 32 96 - 34 - 12312/1.8=11, 7441/3.0=4...(9) HE ARG 19 - HB2 GLU 43 lone 8 92 - 8 - 12312/1.8=3 HD22 ASN 26 - HB2 GLU 43 lone 4 98 - 4 - 12312/1.8=1 Peak 12312 from cnoeabs.peaks (7.46, 2.06, 29.24 ppm; 5.62 A): 3 out of 6 assignments used, quality = 0.76: HE ARG 46 + HB3 GLU 43 OK 47 92 - 51 - ~12084=16, 12311/1.8=16...(8) H ARG 91 + HB3 GLU 43 OK 33 92 - 36 - 12311/1.8=11, 7441/3.0=4...(9) H LYS 47 + HB3 GLU 43 OK 31 87 - 36 - 12311/1.8=11, 6778/4.4=9...(7) HE ARG 19 - HB3 GLU 43 lone 8 96 - 8 - 12311/1.8=3 HD22 ASN 26 - HB3 GLU 43 lone 4 96 - 4 - 12311/1.8=1 HE22 GLN 72 - HB3 GLU 43 lone 1 61 - 2 - Peak 12313 from cnoeabs.peaks (7.72, 4.07, 58.19 ppm; 4.21 A): 5 out of 10 assignments used, quality = 0.75: H LEU 64 + HA LYS 66 OK 48 78 - 62 - 7062/3.0=18...(13) H SER 49 + HA ARG 46 OK 24 99 - 24 - 9076/3.6=8, 4.6/10188=6...(6) H ASN 60 + HA LYS 66 OK 17 70 - 24 - 7062/3.0=4, 9414/3.0=4...(7) H LEU 64 + HA ARG 46 OK 16 99 - 16 - 3.6/10240=5, 4.6/2062=2...(4) H ALA 25 + HA LYS 66 OK 12 66 - 18 - 7062/3.0=8, ~9505=1 H SER 49 - HA LYS 66 lone 7 78 - 9 - 7062/3.0=2, 4.6/10188=2 H ALA 25 - HA ARG 46 lone 7 90 - 7 - H ASN 60 - HA ARG 46 lone 6 94 - 6 - H GLU 37 - HA ARG 46 lone 5 57 - 9 - ~6737=3, ~1579=1, 6572/3.0=1 H GLU 37 - HA LYS 66 lone 1 39 - 4 - 4.6/10774=1 Peak 12314 from cnoeabs.peaks (8.56, 4.43, 55.95 ppm; 4.03 A): 3 out of 4 assignments used, quality = 0.59: H GLN 50 + HA GLU 48 OK 43 94 - 46 - 4.6/6798=16, 10630/3.0=8...(9) H LYS 12 + HA GLU 48 OK 17 99 - 17 - 4.7/10387=4, 2.9/10619=3...(6) H VAL 58 + HA GLU 48 OK 14 77 - 19 - 4.0/9037=6, 6806/3.6=4...(5) H ASP 61 - HA GLU 48 lone 2 57 - 4 - 4.6/2229=3 Peak 12315 from cnoeabs.peaks (1.67, 2.30, 29.70 ppm; 5.21 A): 8 out of 15 assignments used, quality = 0.93: HB ILE 52 + HB2 GLU 48 OK 82 100 - 82 - 2.1/9039=15...(18) HD2 LYS 47 + HB2 GLU 48 OK 16 87 - 18 - 6.3/9030=8, 6786/4.0=5...(5) HD3 LYS 47 + HB2 GLU 48 OK 15 84 - 18 - 6.3/9030=8, 6786/4.0=5...(5) HG3 LYS 20 + HB2 GLU 48 OK 15 98 - 15 - 3.6/10617=3, 3.6/10617=3...(5) HD3 LYS 20 + HB2 GLU 48 OK 14 98 - 14 - 3.0/10617=3, 3.0/10617=3...(5) HB3 LYS 40 + HB2 GLU 48 OK 13 77 - 17 - ~10619=3, ~10580=2...(7) HD2 LYS 20 + HB2 GLU 48 OK 13 94 - 14 - 3.0/10617=3, 3.0/10617=3...(5) HB3 ARG 91 + HB2 GLU 48 OK 10 81 - 13 - 3.9/9030=3, 6786/4.0=2, ~10183=1 HD3 LYS 73 - HB2 GLU 48 lone 8 100 - 8 - 12316/1.8=1 HD2 LYS 73 - HB2 GLU 48 lone 8 100 - 8 - 12316/1.8=1 HD2 LYS 39 - HB2 GLU 48 lone 8 81 - 9 - 3.0/10574=4, 3.0/10572=2 HD2 LYS 68 - HB2 GLU 48 lone 6 73 - 8 - 3.0/10617=1, 3.0/10617=1 HD3 LYS 68 - HB2 GLU 48 lone 5 70 - 8 - 3.0/10617=1, 3.0/10617=1 HB3 LYS 53 - HB2 GLU 48 lone 4 70 - 6 - HB3 ARG 79 - HB2 GLU 48 lone 3 81 - 3 - Peak 12316 from cnoeabs.peaks (1.67, 2.05, 29.70 ppm; 4.58 A): 3 out of 64 assignments used, quality = 0.81: HB ILE 52 + HB3 GLU 48 OK 72 99 - 72 - 10645/1.8=13...(17) HB3 LEU 6 + HB3 GLU 48 OK 21 65 - 32 - ~8230=7, ~9040=5...(10) HB ILE 52 + HB2 GLU 99 OK 14 63 - 22 - 3.2/9177=3, 3.0/10641=3...(9) HB ILE 52 - HB2 GLU 98 poor 8 57 - 15 - 3.2/9177=2, 2.1/10643=2...(8) HB3 LYS 40 - HB3 GLU 48 poor 8 70 - 12 - ~10619=2, 12315/1.8=2...(6) HD2 LYS 47 - HB3 GLU 48 poor 8 81 - 10 - 6786/4.0=4, 12315/1.8=2...(4) HB ILE 52 - HB3 GLU 98 poor 8 54 - 15 - 3.2/9177=2, 2.1/10643=2...(8) HD3 LYS 47 - HB3 GLU 48 poor 8 77 - 10 - 6786/4.0=4, 12315/1.8=2...(4) HD3 LYS 20 - HB3 GLU 48 lone 8 96 - 8 - 12315/1.8=2, ~10617=2, ~12315=1 HD2 LYS 20 - HB3 GLU 48 lone 7 90 - 8 - 12315/1.8=2, ~10617=2, ~12315=2 HG3 LYS 20 - HB3 GLU 48 lone 7 96 - 7 - 12315/1.8=2, ~12315=1 HD2 LYS 39 - HB3 GLU 48 lone 6 87 - 7 - ~10574=2, ~10572=2, 12315/1.8=1 HD2 LYS 73 - HB3 GLU 48 lone 6 100 - 6 - 12315/1.8=1 HD3 LYS 73 - HB3 GLU 48 lone 6 100 - 6 - 12315/1.8=1 HB3 ARG 91 - HB3 GLU 48 lone 5 73 - 7 - 6786/4.0=1, 12315/1.8=1 HD2 LYS 68 - HB3 GLU 48 lone 4 81 - 5 - HD3 LYS 68 - HB3 GLU 48 lone 4 77 - 5 - HG3 LYS 20 - HB2 GLU 99 lone 3 58 - 5 - 893/3.9=3 HB3 ARG 91 - HB2 GLU 98 lone 2 36 - 6 - HG3 LYS 20 - HB2 GLU 98 lone 2 52 - 4 - 893/4.6=2 HB3 ARG 91 - HB2 GLU 99 lone 2 40 - 5 - 4043/4.7=1 HB3 ARG 91 - HB3 GLU 98 lone 2 34 - 6 - HG3 LYS 20 - HB3 GLU 98 lone 2 49 - 4 - 893/4.6=2 HB3 LYS 53 - HB3 GLU 48 lone 2 61 - 3 - HD3 LYS 20 - HB2 GLU 99 lone 2 58 - 3 - 915/3.9=1 HD2 LYS 20 - HB2 GLU 99 lone 2 52 - 3 - 915/3.9=1 HB3 ARG 79 - HB3 GLU 48 lone 2 87 - 2 - HD2 LYS 73 - HB2 GLU 99 lone 1 64 - 2 - HD2 LYS 73 - HB2 GLU 98 lone 1 58 - 2 - HD3 LYS 20 - HB2 GLU 98 lone 1 52 - 3 - HD3 LYS 73 - HB2 GLU 99 lone 1 64 - 2 - HD3 LYS 73 - HB2 GLU 98 lone 1 58 - 2 - HD2 LYS 73 - HB3 GLU 98 lone 1 56 - 2 - HD3 LYS 20 - HB3 GLU 98 lone 1 49 - 3 - HD3 LYS 73 - HB3 GLU 98 lone 1 56 - 2 - HD2 LYS 20 - HB2 GLU 98 lone 1 47 - 3 - HD2 LYS 20 - HB3 GLU 98 lone 1 44 - 3 - HD2 LYS 47 - HB2 GLU 99 lone 1 45 - 3 - HD3 LYS 47 - HB2 GLU 99 lone 1 43 - 3 - HD2 LYS 47 - HB2 GLU 98 lone 1 40 - 2 - HD2 LYS 47 - HB3 GLU 98 lone 1 38 - 2 - HD3 LYS 47 - HB2 GLU 98 lone 1 38 - 2 - HD2 LYS 68 - HB2 GLU 99 lone 1 45 - 1 - HD3 LYS 47 - HB3 GLU 98 lone 1 36 - 2 - HD2 LYS 39 - HB2 GLU 99 lone 1 50 - 1 - HD3 LYS 68 - HB2 GLU 99 lone 1 43 - 1 - HB3 LEU 6 - HB2 GLU 99 lone 1 35 - 2 - HB3 LYS 40 - HB2 GLU 99 lone 1 38 - 1 - HD2 LYS 39 - HB2 GLU 98 lone 1 45 - 1 - HB3 ARG 79 - HB2 GLU 99 lone 1 50 - 1 - HD2 LYS 39 - HB3 GLU 98 lone 1 42 - 1 - HB3 LYS 53 - HB2 GLU 99 lone 0 32 - 1 - HB3 ARG 79 - HB2 GLU 98 lone 0 45 - 1 - HD2 LYS 68 - HB2 GLU 98 lone 0 40 - 1 - HB3 LEU 6 - HB2 GLU 98 lone 0 31 - 1 - HB3 ARG 79 - HB3 GLU 98 lone 0 42 - 1 - HB3 LYS 40 - HB2 GLU 98 lone 0 34 - 1 - HD2 LYS 68 - HB3 GLU 98 lone 0 38 - 1 - HD3 LYS 68 - HB2 GLU 98 lone 0 38 - 1 - HB3 LEU 6 - HB3 GLU 98 lone 0 30 - 1 - HB3 LYS 40 - HB3 GLU 98 lone 0 32 - 1 - HD3 LYS 68 - HB3 GLU 98 lone 0 36 - 1 - HB3 LYS 53 - HB2 GLU 98 lone 0 29 - 1 - HB3 LYS 53 - HB3 GLU 98 lone 0 27 - 1 - Peak 12317 from cnoeabs.peaks (2.61, 0.78, 17.78 ppm; 5.51 A): 3 out of 4 assignments used, quality = 0.61: HB VAL 58 + QG2 ILE 8 OK 33 36 - 92 - ~8300=34, 8290/4.0=25...(22) HB VAL 58 + QG2 ILE 52 OK 25 90 - 28 - 4.0/10202=5...(11) HG3 MET 74 + QG2 ILE 52 OK 22 81 - 27 - 9598=5, ~9615=4, ~9600=4...(8) HG3 MET 74 - QG2 ILE 8 poor 6 31 - 20 - ~12193=4, 9598=3...(7) Peak 12318 from cnoeabs.peaks (2.90, 3.91, 58.27 ppm; 5.21 A): 3 out of 8 assignments used, quality = 0.98: HE2 LYS 66 + HA GLU 63 OK 79 100 - 80 - 4.7/2771=24, 4.7/2884=21...(19) HE3 LYS 66 + HA GLU 63 OK 79 99 - 80 - 4.7/2771=24, 4.7/2884=21...(19) HB2 ASN 60 + HA GLU 63 OK 49 99 - 49 - 4.0/10722=16...(7) HE3 LYS 68 - HA GLU 63 OK 13 90 - 14 - 5.0/2771=2, 2906/2771=2...(7) HE2 LYS 68 - HA GLU 63 OK 12 84 - 14 - 5.0/2771=2, 2906/2771=2...(7) HE2 LYS 20 - HA GLU 63 lone 7 77 - 9 - 7.3/2769=1 HE3 LYS 20 - HA GLU 63 lone 6 73 - 8 - 7.3/2769=1 HE3 LYS 94 - HA GLU 63 lone 6 81 - 7 - 9455/2.9=1 Peak 12319 from cnoeabs.peaks (0.80, 1.60, 27.82 ppm; 4.01 A): 6 out of 8 assignments used, quality = 0.87: QD2 LEU 70 + HD2 LYS 66 OK 49 97 - 51 - 10821/2.9=8, ~10782=5...(22) QD1 LEU 70 + HD2 LYS 66 OK 37 77 - 48 - ~10821=5, 10782/1.8=5...(23) QD2 LEU 57 + HD2 LYS 66 OK 30 99 - 30 - 2637/2.9=4, 2637/2.9=4...(14) QD1 ILE 76 + HD2 LYS 66 OK 23 100 - 23 - 9639/5.1=4, ~10781=4...(8) QD2 LEU 2 + HD2 LYS 66 OK 15 96 - 16 - 9514/3.6=2, 9516/3.6=2...(5) QG2 ILE 15 + HD2 LYS 66 OK 14 94 - 15 - 9514/3.6=2, 10782/1.8=2 QG2 ILE 7 - HD2 LYS 66 lone 8 100 - 8 - 9514/3.6=1, 9516/3.6=1 QG2 ILE 8 - HD2 LYS 66 poor 8 81 - 10 - 9516/3.6=2, 4.1/2930=2...(5) Peak 12320 from cnoeabs.peaks (0.86, 1.64, 25.26 ppm; 4.52 A): 3 out of 3 assignments used, quality = 0.66: QD2 LEU 64 + HG2 LYS 68 OK 52 98 - 54 - 2.1/10243=9, 10242=8...(16) QD1 LEU 103 + HG2 LYS 68 OK 16 96 - 16 - 3.9/10268=5, ~10263=2...(4) QD1 LEU 38 + HG2 LYS 68 OK 15 99 - 15 - 2.1/12071=2, 9530/4.6=2...(6) Peak 12321 from cnoeabs.peaks (0.97, 1.35, 25.26 ppm; 4.17 A): 5 out of 6 assignments used, quality = 0.86: QG2 THR 80 + HG3 LYS 68 OK 67 87 - 77 - 10256/1.8=21, ~10788=14...(19) HG LEU 55 + HG3 LYS 68 OK 29 99 - 29 - 10256/1.8=8, 8510/4.0=5...(9) QG2 VAL 83 + HG3 LYS 68 OK 24 99 - 25 - 10256/1.8=6, 8510/4.0=4...(6) QG2 THR 80 + HG2 LYS 39 OK 15 47 - 31 - 2.1/9722=3, 10195/1.8=3...(13) QG2 VAL 83 + HG2 LYS 39 OK 10 58 - 17 - 9816/3.0=3, 2.1/9821=2...(7) HG LEU 55 - HG2 LYS 39 lone 4 59 - 7 - Peak 12322 from cnoeabs.peaks (3.67, 1.65, 29.52 ppm; 4.45 A): 3 out of 12 assignments used, quality = 0.97: HB THR 80 + HD3 LYS 68 OK 77 99 - 77 - ~10256=13, 9720/3.0=12...(21) HB THR 80 + HD2 LYS 68 OK 77 99 - 77 - ~10256=13, 9720/3.0=12...(21) HA LYS 90 + HD3 LYS 68 OK 41 98 - 42 - 3914/3.5=7, ~3023=4...(20) HA LYS 90 - HD2 LYS 68 OK 41 98 - 42 - 3914/3.5=7, ~3023=4...(20) HB THR 80 - HD2 LYS 39 OK 33 90 - 37 - 9717/3.0=6, 9720/1.8=6...(12) HA LEU 14 - HD2 LYS 39 OK 13 86 - 15 - 587/3.0=3, 3.6/1724=2...(6) HA LEU 14 - HD3 LYS 68 OK 11 97 - 11 - 10788/3.0=2, 587/3.0=2 HA LEU 14 - HD2 LYS 68 OK 11 97 - 11 - 10788/3.0=2, 587/3.0=2 HA LYS 90 - HD2 LYS 39 OK 10 88 - 11 - 3923/3.6=1, ~1737=1 HA GLU 88 - HD3 LYS 68 lone 4 73 - 6 - HA GLU 88 - HD2 LYS 68 lone 4 73 - 6 - HA GLU 88 - HD2 LYS 39 lone 3 62 - 5 - Peak 12323 from cnoeabs.peaks (2.90, 1.70, 27.00 ppm; 5.02 A): 5 out of 18 assignments used, quality = 0.94: HE3 LYS 66 + HG LEU 70 OK 60 100 - 61 - ~10821=10, 3.6/10959=7...(23) HE2 LYS 66 + HG LEU 70 OK 56 98 - 57 - 3.6/10959=7, ~12319=7...(23) HE3 LYS 94 + HG LEU 70 OK 32 92 - 35 - ~11009=9, 3.9/3152=5...(10) HE3 LYS 66 + HG2 PRO 86 OK 29 61 - 48 - ~12288=7, ~12289=6...(20) HE2 LYS 66 + HG2 PRO 86 OK 27 57 - 48 - ~12288=7, ~12289=6...(20) HE2 LYS 94 - HG LEU 70 OK 21 61 - 34 - ~11009=9, 3.9/3152=5...(10) HE3 LYS 94 - HG2 PRO 86 poor 8 50 - 16 - ~12250=4, ~12251=4...(5) HE3 LYS 68 - HG LEU 70 lone 6 97 - 7 - HE2 LYS 68 - HG LEU 70 lone 6 94 - 6 - HE2 LYS 94 - HG2 PRO 86 poor 4 30 - 15 - ~12250=4, ~12251=4...(6) HE2 LYS 20 - HG LEU 70 lone 4 90 - 4 - HE3 LYS 20 - HG LEU 70 lone 3 87 - 4 - HE3 LYS 68 - HG2 PRO 86 lone 3 55 - 5 - HB2 ASN 60 - HG LEU 70 lone 3 94 - 3 - HE2 LYS 68 - HG2 PRO 86 lone 2 52 - 4 - HE2 LYS 20 - HG2 PRO 86 lone 2 48 - 4 - HE3 LYS 20 - HG2 PRO 86 lone 2 46 - 4 - HB2 ASN 60 - HG2 PRO 86 lone 1 52 - 2 - Peak 12324 from cnoeabs.peaks (3.80, 2.54, 33.99 ppm; 6.45 A): 3 out of 4 assignments used, quality = 0.91: HA LYS 68 + HG3 GLN 72 OK 85 100 - 85 - 12325/1.8=23...(12) HA ARG 19 + HG3 GLN 72 OK 25 99 - 25 - 12325/1.8=6, 3.0/9563=5...(7) HA SER 97 + HG3 GLN 72 OK 19 87 - 22 - 12325/1.8=5, 3.0/9562=4...(7) HB3 SER 102 - HG3 GLN 72 lone 8 98 - 8 - 12325/1.8=2, 7123/3218=1 Peak 12325 from cnoeabs.peaks (3.80, 2.42, 33.99 ppm; 6.50 A): 3 out of 8 assignments used, quality = 0.88: HA LYS 68 + HG2 GLN 72 OK 81 99 - 82 - 12324/1.8=26, ~12167=17...(10) HA ARG 19 + HG2 GLN 72 OK 22 94 - 23 - 12324/1.8=8, ~9563=4...(7) HA SER 97 + HG2 GLN 72 OK 17 73 - 22 - 12324/1.8=6, ~9562=3...(6) HA LYS 68 - HG3 GLN 50 poor 9 75 - 12 - 12324/3222=2...(4) HB3 SER 102 - HG2 GLN 72 lone 7 92 - 8 - 12324/1.8=2 HB3 SER 102 - HG3 GLN 50 lone 4 66 - 5 - HA ARG 19 - HG3 GLN 50 lone 4 69 - 5 - HA SER 97 - HG3 GLN 50 lone 3 50 - 6 - Peak 12326 from cnoeabs.peaks (3.31, 4.40, 55.19 ppm; 5.03 A): 1 out of 1 assignment used, quality = 0.66: HD2 ARG 46 + HA MET 74 OK 66 100 - 66 - 9012=27, 1.8/9013=19...(13) Peak 12327 from cnoeabs.peaks (3.16, 4.40, 55.19 ppm; 5.28 A): 0 out of 2 assignments used, low quality = 0.20: HD3 ARG 19 - HA MET 74 OK 10 84 - 12 - 9607/5.3=10, ~7220=1 HD2 ARG 19 - HA MET 74 OK 10 84 - 12 - 9607/5.3=10, ~7220=1 Peak 12328 from cnoeabs.peaks (4.66, 1.65, 31.20 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.76: HA LEU 27 + HB3 ARG 79 OK 60 100 - 60 - 12329/1.8=25...(11) HA LEU 55 + HB3 ARG 79 OK 40 77 - 52 - 11118/4.1=18...(8) Peak 12329 from cnoeabs.peaks (4.66, 1.60, 31.20 ppm; 4.46 A): 2 out of 2 assignments used, quality = 0.79: HA LEU 27 + HB2 ARG 79 OK 65 100 - 65 - 12328/1.8=22...(13) HA LEU 55 + HB2 ARG 79 OK 41 77 - 53 - 11118/4.1=17...(8) Peak 12330 from cnoeabs.peaks (4.65, 3.07, 43.09 ppm; 4.31 A): 4 out of 4 assignments used, quality = 0.85: HA LEU 27 + HD2 ARG 79 OK 48 100 - 48 - 12329/3.8=16...(10) HA LEU 27 + HD3 ARG 79 OK 48 99 - 48 - 12329/3.8=16...(10) HA LEU 55 + HD2 ARG 79 OK 27 65 - 41 - 12329/3.8=10...(8) HA LEU 55 + HD3 ARG 79 OK 26 64 - 41 - 12329/3.8=10...(8) Peak 12331 from cnoeabs.peaks (0.85, 2.74, 41.51 ppm; 5.26 A): 3 out of 3 assignments used, quality = 0.86: QD2 LEU 64 + HE2 LYS 82 OK 60 97 - 62 - 9756/4.8=16, 9758/4.8=14...(11) QD1 LEU 38 + HE2 LYS 82 OK 43 99 - 43 - 10942/3.0=11, 9756/4.8=8...(11) QD1 LEU 103 + HE2 LYS 82 OK 38 94 - 40 - 10942/3.0=8, 9756/4.8=8...(11) Peak 12332 from cnoeabs.peaks (0.73, 2.74, 41.51 ppm; 5.47 A): 4 out of 10 assignments used, quality = 0.97: QD2 LEU 27 + HE2 LYS 82 OK 64 98 - 66 - 10132/3.0=12...(21) QD1 LEU 64 + HE2 LYS 82 OK 64 98 - 65 - 2.1/12331=18...(14) HG3 ARG 81 + HE2 LYS 82 OK 63 99 - 64 - 4.8/3714=24, 2.9/3718=15...(8) QG1 VAL 58 + HE2 LYS 82 OK 44 77 - 58 - ~9768=13, 9384/4.8=12...(9) QG1 VAL 78 - HE2 LYS 82 OK 33 92 - 36 - 10900/6.5=10...(12) QG2 VAL 78 - HE2 LYS 82 OK 24 81 - 30 - 10901/6.5=12, 2.1/3717=3...(9) HG13 ILE 15 - HE2 LYS 82 OK 12 61 - 19 - 8463/3.9=7, 9761/3.9=4...(4) QG1 VAL 5 - HE2 LYS 82 OK 10 94 - 11 - 10901/6.5=3, 10194/4.8=2 HG13 ILE 93 - HE2 LYS 82 poor 10 96 - 10 - ~11000=3, 7328/7.3=1, 9761/3.9=1 QG2 ILE 93 - HE2 LYS 82 poor 9 77 - 12 - 11000/3.0=3, 9761/3.9=1...(4) Peak 12333 from cnoeabs.peaks (2.44, 2.12, 31.71 ppm; 4.62 A): 0 out of 7 assignments used, low quality = 0.18: HG3 MET 1 - HB2 PRO 86 OK 18 70 - 26 - 1.8/3819=5, ~3827=4...(11) HG3 GLU 17 - HB2 PRO 86 poor 10 98 - 10 - ~9894=1, 8478/9886=1...(4) HG3 GLU 99 - HB2 PRO 86 lone 8 100 - 8 - 4.7/3822=4, 4434/3.9=2 HG2 GLN 72 - HB2 PRO 86 lone 5 90 - 5 - ~9854=1 HG3 GLU 48 - HB2 PRO 86 lone 4 98 - 5 - HB2 ASP 11 - HB2 PRO 86 lone 3 100 - 3 - 8417/9883=2 HG3 GLN 50 - HB2 PRO 86 lone 2 99 - 2 - Peak 12334 from cnoeabs.peaks (2.81, 2.12, 31.71 ppm; 5.93 A): 1 out of 1 assignment used, quality = 0.58: HE2 LYS 90 + HB2 PRO 86 OK 58 100 - 58 - 9907/4.9=36, 6.2/9886=11...(11) Peak 12335 from cnoeabs.peaks (2.96, 2.12, 31.71 ppm; 5.59 A): 7 out of 12 assignments used, quality = 0.73: HE2 LYS 24 + HB2 PRO 86 OK 25 99 - 25 - 6.2/3815=5, 3.0/3818=3...(8) HE3 LYS 24 + HB2 PRO 86 OK 25 99 - 25 - 6.2/3815=5, 3.0/3818=3...(8) HG2 MET 21 + HB2 PRO 86 OK 22 65 - 34 - ~8540=9, ~966=4...(13) HE3 LYS 13 + HB2 PRO 86 OK 13 100 - 13 - 3.8/10957=2, 2.9/3818=1...(6) HE2 LYS 13 + HB2 PRO 86 OK 13 100 - 13 - 3.8/10957=2, 2.9/3818=1...(6) HE2 LYS 47 + HB2 PRO 86 OK 10 73 - 14 - ~12306=4, 3.8/10957=2...(5) HE3 LYS 47 + HB2 PRO 86 OK 10 73 - 14 - ~12306=4, 3.8/10957=2...(5) HE3 LYS 12 - HB2 PRO 86 lone 9 97 - 9 - 3.0/3818=1, 3.0/3818=1 HB2 ASN 51 - HB2 PRO 86 lone 4 87 - 5 - 10633/12333=1 HE2 LYS 73 - HB2 PRO 86 lone 3 97 - 3 - HE3 LYS 73 - HB2 PRO 86 lone 3 87 - 3 - HB3 PHE 45 - HB2 PRO 86 lone 2 94 - 3 - Peak 12336 from cnoeabs.peaks (4.80, 1.94, 36.78 ppm; 5.12 A): 3 out of 4 assignments used, quality = 0.86: HA VAL 83 + HG3 GLU 88 OK 75 99 - 76 - 12337/1.8=26...(12) HA TRP 92 + HG3 GLU 88 OK 31 65 - 48 - 6.3/9973=13, 4.5/9922=11...(6) HA ASN 60 + HG3 GLU 88 OK 16 90 - 18 - 12337/1.8=5, 12223/3.0=4...(5) HA THR 34 - HG3 GLU 88 poor 7 57 - 12 - 12337/1.8=3, ~8753=2...(4) Peak 12337 from cnoeabs.peaks (4.80, 2.14, 36.78 ppm; 5.05 A): 3 out of 4 assignments used, quality = 0.85: HA VAL 83 + HG2 GLU 88 OK 78 99 - 78 - 12223/3.0=23...(13) HA TRP 92 + HG2 GLU 88 OK 24 65 - 36 - 12223/3.0=10...(6) HA ASN 60 + HG2 GLU 88 OK 14 90 - 15 - 12336/1.8=5, 12223/3.0=4 HA THR 34 - HG2 GLU 88 poor 9 57 - 16 - 3.6/9921=5, 3.0/8753=3...(5) Peak 12338 from cnoeabs.peaks (3.83, 2.49, 36.23 ppm; 4.83 A): 3 out of 4 assignments used, quality = 0.79: HA ALA 22 + HG3 GLU 23 OK 68 100 - 68 - 3.6/1042=26...(9) HA SER 97 + HG3 GLU 23 OK 22 94 - 23 - 3.0/10060=8, ~10062=4...(7) HA ARG 19 + HG3 GLU 23 OK 17 73 - 23 - 4.0/12291=12, 6357/5.0=4...(5) HB3 SER 102 - HG3 GLU 23 lone 6 77 - 8 - 4.5/1042=3, 4465/5.0=2 Peak 14501 from cnoeabs.peaks (5.14, 6.43, 132.25 ppm; 4.44 A): 2 out of 10 assignments used, quality = 1.00: * HA TYR 4 + HD1 TYR 4 OK 100 100 - 100 - 4.2=100 HA TYR 4 + HD2 TYR 4 OK 100 100 - 100 - 4.3=100 HA VAL 54 - HD2 TYR 4 OK 36 73 - 49 - 10204/3.7=9, 155/3.7=8...(11) HA VAL 54 - HD1 TYR 4 OK 35 73 - 48 - 10204/3.7=9, 155/3.7=8...(11) HA LEU 3 - HD2 TYR 4 OK 31 77 - 40 - 3.6/6042=11, 3.0/8059=6...(10) HA LEU 3 - HD1 TYR 4 OK 31 77 - 40 - 3.6/6042=10, 3.0/8059=6...(10) HA ILE 7 - HD2 TYR 4 OK 17 87 - 19 - 155/3.7=3, 148/3.7=3...(7) HA ILE 7 - HD1 TYR 4 OK 17 87 - 19 - 155/3.7=3, 148/3.7=3...(7) HA SER 85 - HD2 TYR 4 lone 7 97 - 7 - 148/3.7=1, 155/3.7=1 HA SER 85 - HD1 TYR 4 lone 7 97 - 7 - 148/3.7=1, 155/3.7=1 Peak 14502 from cnoeabs.peaks (2.29, 6.43, 132.25 ppm; 4.53 A): 2 out of 10 assignments used, quality = 1.00: HB2 TYR 4 + HD2 TYR 4 OK 100 100 - 100 - 3.7=100 * HB2 TYR 4 + HD1 TYR 4 OK 100 100 - 100 - 3.7=100 HB2 GLU 48 - HD1 TYR 4 OK 21 97 - 22 - 1.8/14572=3, 156/3.7=3...(7) HB2 GLU 48 - HD2 TYR 4 OK 21 97 - 22 - 1.8/14572=3, 156/3.7=3...(7) HG2 GLU 63 - HD2 TYR 4 OK 12 99 - 12 - 156/3.7=2, 142/4.3=2...(4) HG2 GLU 63 - HD1 TYR 4 OK 12 99 - 12 - 156/3.7=2, 142/4.2=2...(4) HG3 GLU 16 - HD2 TYR 4 lone 10 97 - 10 - 156/3.7=2, 142/4.3=2, 6040/5.4=1 HG3 GLU 16 - HD1 TYR 4 lone 10 97 - 10 - 142/4.2=2, 156/3.7=2, 6040/5.6=1 HD3 ARG 81 - HD2 TYR 4 poor 9 70 - 13 - 142/4.3=4, 156/3.7=3, 6040/5.4=2 HD3 ARG 81 - HD1 TYR 4 poor 9 70 - 13 - 142/4.2=4, 156/3.7=3, 6040/5.6=2 Peak 14503 from cnoeabs.peaks (2.46, 6.43, 132.25 ppm; 4.39 A): 2 out of 4 assignments used, quality = 1.00: HB3 TYR 4 + HD2 TYR 4 OK 100 100 - 100 - 3.7=100 * HB3 TYR 4 + HD1 TYR 4 OK 100 100 - 100 - 3.7=100 HG3 GLU 98 - HD2 TYR 4 lone 7 77 - 9 - 143/4.3=2, 150/3.7=2...(4) HG3 GLU 98 - HD1 TYR 4 lone 7 77 - 9 - 143/4.2=2, 150/3.7=2...(4) Peak 14504 from cnoeabs.peaks (6.43, 6.43, 132.25 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 TYR 4 + HD2 TYR 4 OK 100 100 - 100 * HD1 TYR 4 + HD1 TYR 4 OK 100 100 - 100 Peak 14505 from cnoeabs.peaks (6.45, 6.43, 132.25 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HD2 TYR 4 + HD2 TYR 4 OK 90 90 - 100 HD1 TYR 4 + HD1 TYR 4 OK 90 90 - 100 Reference assignment not found: HE1 TYR 4 - HD1 TYR 4 Peak 14506 from cnoeabs.peaks (6.43, 6.45, 118.20 ppm; diagonal): 2 out of 2 assignments used, quality = 0.97: HE1 TYR 4 + HE1 TYR 4 OK 86 86 - 100 HE2 TYR 4 + HE2 TYR 4 OK 76 76 - 100 Reference assignment not found: HD1 TYR 4 - HE1 TYR 4 Peak 14507 from cnoeabs.peaks (6.45, 6.45, 118.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE1 TYR 4 + HE1 TYR 4 OK 100 100 - 100 HE2 TYR 4 + HE2 TYR 4 OK 97 97 - 100 Peak 14508 from cnoeabs.peaks (3.93, 6.83, 131.89 ppm; 4.18 A): 2 out of 8 assignments used, quality = 1.00: HA TYR 41 + HD2 TYR 41 OK 98 100 - 98 - 4.3=93, 3.0/6657=17...(16) * HA TYR 41 + HD1 TYR 41 OK 97 98 - 99 - 4.2=96, 3.0/6657=17...(16) HA GLU 44 - HD2 TYR 41 OK 31 92 - 34 - 3.0/8984=8, 1884/3.7=7...(9) HA GLU 44 - HD1 TYR 41 OK 29 88 - 33 - 3.0/8984=8, 1884/3.7=7...(7) HB3 SER 9 - HD2 TYR 41 OK 14 100 - 14 - 1884/3.7=4, 1892/3.7=4...(4) HB3 SER 9 - HD1 TYR 41 OK 14 98 - 14 - 1884/3.7=4, 1892/3.7=4...(4) HA GLU 63 - HD1 TYR 41 poor 9 80 - 11 - 1892/3.7=3, 1884/3.7=3...(4) HA GLU 63 - HD2 TYR 41 poor 9 84 - 10 - 1892/3.7=3, 1884/3.7=3 Peak 14509 from cnoeabs.peaks (2.31, 6.83, 131.89 ppm; 4.62 A): 2 out of 14 assignments used, quality = 1.00: HB2 TYR 41 + HD2 TYR 41 OK 100 100 - 100 - 3.7=100 * HB2 TYR 41 + HD1 TYR 41 OK 98 98 - 100 - 3.7=100 HG3 GLU 43 - HD2 TYR 41 OK 23 96 - 24 - 1874/4.3=6, 1893/3.7=5...(7) HG3 GLU 43 - HD1 TYR 41 OK 22 92 - 25 - 1874/4.2=6, 1893/3.7=5...(7) HD3 ARG 81 - HD2 TYR 41 lone 9 98 - 9 - 1893/3.7=2, 1874/4.3=2 HD3 ARG 81 - HD1 TYR 41 lone 9 95 - 9 - 1893/3.7=2, 1874/4.2=2 HB2 GLU 48 - HD2 TYR 41 poor 8 73 - 11 - 1874/4.3=2, 1893/3.7=2...(4) HB2 GLU 48 - HD1 TYR 41 poor 8 69 - 11 - 1874/4.2=2, 1893/3.7=2...(4) HG2 GLU 63 - HD1 TYR 41 poor 7 58 - 12 - 1874/4.2=2, 1893/3.7=2...(4) HG2 GLU 63 - HD2 TYR 41 poor 6 61 - 10 - 1874/4.3=2, 1893/3.7=2 HG3 GLU 16 - HD2 TYR 41 lone 4 73 - 6 - HG3 GLU 16 - HD1 TYR 41 lone 4 69 - 6 - HG2 GLU 48 - HD2 TYR 41 lone 3 61 - 6 - 1874/4.3=1 HG2 GLU 48 - HD1 TYR 41 lone 3 58 - 6 - 1874/4.2=1 Peak 14510 from cnoeabs.peaks (2.64, 6.83, 131.89 ppm; 4.57 A): 2 out of 8 assignments used, quality = 1.00: HB3 TYR 41 + HD2 TYR 41 OK 100 100 - 100 - 3.7=100 * HB3 TYR 41 + HD1 TYR 41 OK 98 98 - 100 - 3.7=100 HG3 MET 74 - HD2 TYR 41 OK 21 77 - 28 - 1886/3.7=6, 1875/4.3=5...(10) HG3 MET 74 - HD1 TYR 41 OK 20 73 - 28 - 1886/3.7=6, 1875/4.2=5...(12) HB3 ASP 77 - HD2 TYR 41 OK 15 100 - 15 - 1875/4.3=3, 1886/3.7=2...(5) HB3 ASP 77 - HD1 TYR 41 OK 15 97 - 15 - 1875/4.2=3, 1886/3.7=2...(5) HB3 ASP 65 - HD2 TYR 41 OK 14 100 - 14 - 1875/4.3=3, 1886/3.7=2...(4) HB3 ASP 65 - HD1 TYR 41 OK 14 97 - 14 - 1875/4.2=3, 1886/3.7=2...(4) Peak 14511 from cnoeabs.peaks (6.83, 6.83, 131.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 TYR 41 + HD2 TYR 41 OK 100 100 - 100 * HD1 TYR 41 + HD1 TYR 41 OK 97 97 - 100 Peak 14512 from cnoeabs.peaks (6.86, 6.83, 131.89 ppm; 2.88 A): 2 out of 10 assignments used, quality = 1.00: HE2 TYR 41 + HD2 TYR 41 OK 99 99 - 100 - 2.5=100 * HE1 TYR 41 + HD1 TYR 41 OK 98 98 - 100 - 2.5=100 HE1 TYR 41 - HD2 TYR 41 OK 39 100 - 39 - 4.9=20, 14513/4.3=6...(8) HE2 TYR 41 - HD1 TYR 41 OK 38 97 - 39 - 4.9=20, 4.3/14513=6...(7) HE21 GLN 72 - HD2 TYR 41 lone 1 99 - 1 - HE21 GLN 72 - HD1 TYR 41 lone 1 96 - 1 - HD1 TRP 92 - HD2 TYR 41 lone 1 84 - 1 - HD1 TRP 92 - HD1 TYR 41 lone 0 80 - 1 - HD21 ASN 60 - HD2 TYR 41 lone 0 77 - 1 - HD21 ASN 60 - HD1 TYR 41 lone 0 73 - 1 - Peak 14513 from cnoeabs.peaks (6.83, 6.86, 118.20 ppm; 2.40 A): 2 out of 4 assignments used, quality = 0.99: * HD1 TYR 41 + HE1 TYR 41 OK 92 99 - 93 - 2.5=93, 1887/5.4=2...(6) HD2 TYR 41 + HE2 TYR 41 OK 89 96 - 93 - 2.5=93, 1887/5.4=2...(6) HD2 TYR 41 - HE1 TYR 41 OK 19 99 - 19 - 4.9=12, 1887/5.4=2...(4) HD1 TYR 41 - HE2 TYR 41 OK 18 95 - 19 - 4.9=12, 1887/5.4=2...(4) Peak 14514 from cnoeabs.peaks (6.86, 6.86, 118.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE1 TYR 41 + HE1 TYR 41 OK 99 99 - 100 HE2 TYR 41 + HE2 TYR 41 OK 94 94 - 100 Peak 14515 from cnoeabs.peaks (4.52, 6.66, 129.63 ppm; 4.92 A): 2 out of 6 assignments used, quality = 1.00: * HA PHE 45 + HD1 PHE 45 OK 100 100 - 100 - 4.2=100 HA PHE 45 + HD2 PHE 45 OK 100 100 - 100 - 4.2=100 HA PHE 96 - HD1 PHE 45 OK 18 96 - 18 - 2050/3.7=6, 2041/3.7=6...(5) HA PHE 96 - HD2 PHE 45 OK 18 96 - 18 - 2050/3.7=6, 2041/3.7=6...(5) HA LYS 33 - HD1 PHE 45 OK 13 81 - 16 - 2041/3.7=4, 2050/3.7=4...(6) HA LYS 33 - HD2 PHE 45 OK 13 81 - 16 - 2041/3.7=4, 2050/3.7=4...(6) Peak 14516 from cnoeabs.peaks (2.99, 6.66, 129.63 ppm; 5.28 A): 2 out of 10 assignments used, quality = 1.00: * HB2 PHE 45 + HD1 PHE 45 OK 99 99 - 100 - 3.7=100 HB2 PHE 45 + HD2 PHE 45 OK 99 99 - 100 - 3.7=100 HB2 SER 9 - HD1 PHE 45 OK 13 99 - 13 - 9653/9632=2, 9237/9222=2...(4) HB2 SER 9 - HD2 PHE 45 OK 12 99 - 12 - 9653/9632=2, 9237/9222=2...(4) HE2 LYS 47 - HD1 PHE 45 poor 8 84 - 10 - 2033/4.2=2, 6729/5.5=2 HE3 LYS 47 - HD1 PHE 45 poor 8 84 - 10 - 2033/4.2=2, 6729/5.5=2 HE3 LYS 47 - HD2 PHE 45 lone 8 84 - 10 - 2033/4.2=2, 6729/5.6=2 HE2 LYS 47 - HD2 PHE 45 lone 8 84 - 10 - 2033/4.2=2, 6729/5.6=2 HB3 ASP 11 - HD1 PHE 45 lone 6 97 - 7 - 9237/9222=1 HB3 ASP 11 - HD2 PHE 45 lone 6 97 - 7 - 9237/9222=1 Peak 14517 from cnoeabs.peaks (2.97, 6.66, 129.63 ppm; 5.10 A): 4 out of 20 assignments used, quality = 1.00: HB3 PHE 45 + HD2 PHE 45 OK 100 100 - 100 - 3.7=100 * HB3 PHE 45 + HD1 PHE 45 OK 100 100 - 100 - 3.7=100 HB2 PHE 45 + HD2 PHE 45 OK 73 73 - 100 - 3.7=100 HB2 PHE 45 + HD1 PHE 45 OK 73 73 - 100 - 3.7=100 HE3 LYS 47 - HD1 PHE 45 OK 10 97 - 11 - 2034/4.2=2, 6730/5.5=2 HE2 LYS 47 - HD1 PHE 45 OK 10 97 - 11 - 2034/4.2=2, 6730/5.5=2 HE2 LYS 47 - HD2 PHE 45 OK 10 97 - 11 - 2034/4.2=2, 6730/5.6=2 HE3 LYS 47 - HD2 PHE 45 OK 10 97 - 11 - 2034/4.2=2, 6730/5.6=2 HE2 LYS 24 - HD1 PHE 45 lone 5 99 - 5 - HE3 LYS 24 - HD1 PHE 45 lone 5 99 - 5 - HE2 LYS 24 - HD2 PHE 45 lone 5 99 - 5 - HE3 LYS 24 - HD2 PHE 45 lone 5 99 - 5 - HE2 LYS 13 - HD1 PHE 45 lone 5 97 - 5 - HE2 LYS 13 - HD2 PHE 45 lone 5 97 - 5 - HE3 LYS 13 - HD1 PHE 45 lone 5 94 - 5 - HE3 LYS 13 - HD2 PHE 45 lone 5 94 - 5 - HE3 LYS 12 - HD1 PHE 45 lone 4 100 - 4 - HE3 LYS 12 - HD2 PHE 45 lone 4 100 - 4 - HE2 LYS 73 - HD1 PHE 45 lone 2 73 - 3 - HE2 LYS 73 - HD2 PHE 45 lone 2 73 - 3 - Peak 14518 from cnoeabs.peaks (6.66, 6.66, 129.63 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 PHE 45 + HD2 PHE 45 OK 100 100 - 100 * HD1 PHE 45 + HD1 PHE 45 OK 100 100 - 100 Peak 14519 from cnoeabs.peaks (6.51, 6.66, 129.63 ppm; 4.10 A): 4 out of 4 assignments used, quality = 1.00: * HE1 PHE 45 + HD1 PHE 45 OK 100 100 - 100 - 2.5=100 HE2 PHE 45 + HD2 PHE 45 OK 99 99 - 100 - 2.5=100 HE1 PHE 45 + HD2 PHE 45 OK 69 100 - 69 - 4.9=58, 2036/4.2=8...(7) HE2 PHE 45 + HD1 PHE 45 OK 69 99 - 69 - 4.9=58, 2036/4.2=8...(7) Peak 14520 from cnoeabs.peaks (6.14, 6.66, 129.63 ppm; 6.16 A): 2 out of 2 assignments used, quality = 1.00: HZ PHE 45 + HD2 PHE 45 OK 100 100 - 100 - 4.3=100 * HZ PHE 45 + HD1 PHE 45 OK 100 100 - 100 - 4.3=100 Peak 14521 from cnoeabs.peaks (6.66, 6.51, 129.73 ppm; 3.96 A): 4 out of 4 assignments used, quality = 1.00: * HD1 PHE 45 + HE1 PHE 45 OK 99 99 - 100 - 2.5=100 HD2 PHE 45 + HE2 PHE 45 OK 96 96 - 100 - 2.5=100 HD2 PHE 45 + HE1 PHE 45 OK 64 99 - 64 - 4.9=52, 4.2/2036=7...(7) HD1 PHE 45 + HE2 PHE 45 OK 61 96 - 64 - 4.9=52, 4.2/2036=7...(7) Peak 14522 from cnoeabs.peaks (6.51, 6.51, 129.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE1 PHE 45 + HE1 PHE 45 OK 99 99 - 100 HE2 PHE 45 + HE2 PHE 45 OK 94 94 - 100 Peak 14523 from cnoeabs.peaks (6.14, 6.51, 129.73 ppm; 4.78 A): 2 out of 2 assignments used, quality = 1.00: * HZ PHE 45 + HE1 PHE 45 OK 99 99 - 100 - 2.5=100 HZ PHE 45 + HE2 PHE 45 OK 96 96 - 100 - 2.5=100 Peak 14524 from cnoeabs.peaks (6.66, 6.14, 127.52 ppm; 5.94 A): 2 out of 2 assignments used, quality = 1.00: HD2 PHE 45 + HZ PHE 45 OK 100 100 - 100 - 4.3=100 * HD1 PHE 45 + HZ PHE 45 OK 100 100 - 100 - 4.3=100 Peak 14525 from cnoeabs.peaks (6.51, 6.14, 127.52 ppm; 4.05 A): 2 out of 2 assignments used, quality = 1.00: * HE1 PHE 45 + HZ PHE 45 OK 100 100 - 100 - 2.5=100 HE2 PHE 45 + HZ PHE 45 OK 99 99 - 100 - 2.5=100 Peak 14526 from cnoeabs.peaks (6.14, 6.14, 127.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 45 + HZ PHE 45 OK 100 100 - 100 Peak 14527 from cnoeabs.peaks (4.82, 6.87, 127.01 ppm; 4.58 A): 2 out of 2 assignments used, quality = 1.00: * HA TRP 92 + HD1 TRP 92 OK 100 100 - 100 - 4.5=100 HA ASN 60 + HD1 TRP 92 OK 48 97 - 50 - 2692=15, 4096/3.9=8...(10) Peak 14528 from cnoeabs.peaks (3.10, 6.87, 127.01 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TRP 92 + HD1 TRP 92 OK 100 100 - 100 - 3.9=100 HB2 PHE 96 - HD1 TRP 92 OK 26 100 - 26 - 4082/4.5=8, 4109/3.9=7...(6) HD3 ARG 30 - HD1 TRP 92 lone 5 69 - 6 - 9971/2.6=1 Peak 14529 from cnoeabs.peaks (3.20, 6.87, 127.01 ppm; 5.46 A): 1 out of 4 assignments used, quality = 0.98: * HB3 TRP 92 + HD1 TRP 92 OK 98 98 - 100 - 3.9=100 HD3 ARG 46 - HD1 TRP 92 OK 29 95 - 31 - 4098/3.9=6, 4083/4.5=6...(9) HB2 ASP 77 - HD1 TRP 92 lone 5 97 - 5 - HB2 HIS 106 - HD1 TRP 92 lone 4 69 - 5 - 4083/4.5=1 Peak 14530 from cnoeabs.peaks (6.87, 6.87, 127.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 92 + HD1 TRP 92 OK 100 100 - 100 Peak 14531 from cnoeabs.peaks (7.43, 6.87, 127.01 ppm; 5.73 A): 2 out of 3 assignments used, quality = 1.00: * HE3 TRP 92 + HD1 TRP 92 OK 100 100 - 100 - 5.1=100 H ALA 89 + HD1 TRP 92 OK 88 98 - 90 - 3.0/9935=28, 9934=27...(19) HE22 GLN 72 - HD1 TRP 92 OK 27 91 - 29 - 4100/3.9=5, 4112/3.9=5...(8) Peak 14532 from cnoeabs.peaks (10.29, 6.87, 127.01 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 92 + HD1 TRP 92 OK 100 100 - 100 - 2.6=100 Peak 14534 from cnoeabs.peaks (7.49, 6.87, 127.01 ppm; 5.94 A): 1 out of 3 assignments used, quality = 1.00: * HZ2 TRP 92 + HD1 TRP 92 OK 100 100 - 100 - 5.0=100 H ILE 52 - HD1 TRP 92 lone 9 100 - 9 - 7476/2.6=2, 5558/6.6=2...(4) H LYS 47 - HD1 TRP 92 lone 6 61 - 10 - 7455/5.9=3, 4.9/14633=1 Peak 14537 from cnoeabs.peaks (7.43, 7.43, 120.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 92 + HE3 TRP 92 OK 100 100 - 100 Peak 14539 from cnoeabs.peaks (7.06, 7.43, 120.39 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * HZ3 TRP 92 + HE3 TRP 92 OK 100 100 - 100 - 2.5=100 HZ PHE 96 - HE3 TRP 92 OK 11 100 - 10 - 5.8/14640=3, 14557/4.3=2...(5) Peak 14541 from cnoeabs.peaks (7.24, 7.43, 120.39 ppm; 6.08 A): 1 out of 2 assignments used, quality = 1.00: * HH2 TRP 92 + HE3 TRP 92 OK 100 100 - 100 - 4.3=100 H THR 34 - HE3 TRP 92 OK 27 98 - 27 - 14547/2.5=7, 14553/5.0=4...(6) Peak 14543 from cnoeabs.peaks (7.43, 7.06, 122.12 ppm; 4.16 A): 1 out of 3 assignments used, quality = 0.97: * HE3 TRP 92 + HZ3 TRP 92 OK 97 97 - 100 - 2.5=100 H ALA 89 - HZ3 TRP 92 OK 36 93 - 39 - ~3900=6, 14555/2.4=6...(11) HE22 GLN 72 - HZ3 TRP 92 OK 14 86 - 16 - 14555/2.4=2, ~3225=2...(8) Peak 14545 from cnoeabs.peaks (7.06, 7.06, 122.12 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * HZ3 TRP 92 + HZ3 TRP 92 OK 97 97 - 100 Peak 14546 from cnoeabs.peaks (7.49, 7.06, 122.12 ppm; 4.47 A): 1 out of 3 assignments used, quality = 0.97: * HZ2 TRP 92 + HZ3 TRP 92 OK 97 97 - 100 - 4.3=100 H ILE 52 - HZ3 TRP 92 lone 5 96 - 5 - 5558/2.4=3 H LYS 47 - HZ3 TRP 92 lone 2 56 - 3 - Peak 14547 from cnoeabs.peaks (7.24, 7.06, 122.12 ppm; 4.11 A): 1 out of 2 assignments used, quality = 0.97: * HH2 TRP 92 + HZ3 TRP 92 OK 97 97 - 100 - 2.4=100 H THR 34 - HZ3 TRP 92 OK 16 93 - 17 - ~14658=5, 14541/2.5=3...(6) Peak 14550 from cnoeabs.peaks (10.29, 7.49, 114.39 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.99: HE1 TRP 92 + HZ2 TRP 92 OK 99 99 - 100 - 2.8=100 Peak 14551 from cnoeabs.peaks (7.06, 7.49, 114.39 ppm; 5.79 A): 1 out of 2 assignments used, quality = 0.99: * HZ3 TRP 92 + HZ2 TRP 92 OK 99 99 - 100 - 4.3=100 HZ PHE 96 - HZ2 TRP 92 lone 9 99 - 9 - 14539/5.0=3, 14557/2.5=3 Peak 14552 from cnoeabs.peaks (7.49, 7.49, 114.39 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HZ2 TRP 92 + HZ2 TRP 92 OK 99 99 - 100 Peak 14553 from cnoeabs.peaks (7.24, 7.49, 114.39 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.99: * HH2 TRP 92 + HZ2 TRP 92 OK 99 99 - 100 - 2.5=100 H THR 34 - HZ2 TRP 92 OK 12 97 - 12 - ~14658=4, 14547/4.3=3...(4) Peak 14555 from cnoeabs.peaks (7.43, 7.24, 124.65 ppm; 4.34 A): 1 out of 3 assignments used, quality = 0.99: * HE3 TRP 92 + HH2 TRP 92 OK 99 99 - 100 - 4.3=100 H ALA 89 - HH2 TRP 92 OK 23 96 - 24 - 14543/2.4=9, 9934/6.6=6...(5) HE22 GLN 72 - HH2 TRP 92 lone 8 89 - 9 - 5543/2.4=4, 14531/6.6=1...(5) Peak 14556 from cnoeabs.peaks (10.29, 7.24, 124.65 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.99: HE1 TRP 92 + HH2 TRP 92 OK 99 99 - 100 - 5.0=100 Peak 14557 from cnoeabs.peaks (7.06, 7.24, 124.65 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.99: * HZ3 TRP 92 + HH2 TRP 92 OK 99 99 - 100 - 2.4=100 HZ PHE 96 - HH2 TRP 92 lone 6 99 - 6 - 14539/4.3=2, 5551/2.5=1 Peak 14558 from cnoeabs.peaks (7.49, 7.24, 124.65 ppm; 3.83 A): 1 out of 3 assignments used, quality = 0.99: * HZ2 TRP 92 + HH2 TRP 92 OK 99 99 - 100 - 2.5=100 H ILE 52 - HH2 TRP 92 lone 7 98 - 7 - ~2334=3, 14546/2.4=1 H LYS 47 - HH2 TRP 92 lone 1 59 - 2 - Peak 14559 from cnoeabs.peaks (7.24, 7.24, 124.65 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HH2 TRP 92 + HH2 TRP 92 OK 99 99 - 100 Peak 14560 from cnoeabs.peaks (4.50, 7.03, 131.42 ppm; 4.90 A): 2 out of 2 assignments used, quality = 0.93: HA PHE 96 + HD2 PHE 96 OK 73 73 - 100 - 4.2=100 * HA PHE 96 + HD1 PHE 96 OK 73 73 - 100 - 4.3=100 Peak 14561 from cnoeabs.peaks (3.10, 7.03, 131.42 ppm; 5.12 A): 2 out of 6 assignments used, quality = 1.00: HB2 PHE 96 + HD2 PHE 96 OK 100 100 - 100 - 3.7=100 * HB2 PHE 96 + HD1 PHE 96 OK 100 100 - 100 - 3.7=100 HB2 TRP 92 - HD2 PHE 96 OK 38 100 - 39 - 4337/3.7=10, 4316/4.2=9...(11) HB2 TRP 92 - HD1 PHE 96 OK 38 100 - 38 - 4337/3.7=10, 4316/4.3=9...(11) HD3 ARG 30 - HD2 PHE 96 OK 12 77 - 16 - 3.0/8705=3, 4316/4.2=2...(6) HD3 ARG 30 - HD1 PHE 96 OK 12 77 - 15 - 3.0/8705=3, 4316/4.3=2...(7) Peak 14562 from cnoeabs.peaks (3.47, 7.03, 131.42 ppm; 5.29 A): 2 out of 2 assignments used, quality = 1.00: HB3 PHE 96 + HD2 PHE 96 OK 100 100 - 100 - 3.7=100 * HB3 PHE 96 + HD1 PHE 96 OK 100 100 - 100 - 3.7=100 Peak 14563 from cnoeabs.peaks (7.03, 7.03, 131.42 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 PHE 96 + HD2 PHE 96 OK 100 100 - 100 * HD1 PHE 96 + HD1 PHE 96 OK 100 100 - 100 Peak 14564 from cnoeabs.peaks (6.96, 7.03, 131.42 ppm; 3.46 A): 4 out of 6 assignments used, quality = 1.00: HE2 PHE 96 + HD2 PHE 96 OK 100 100 - 100 - 2.5=100 * HE1 PHE 96 + HD1 PHE 96 OK 100 100 - 100 - 2.5=100 HE2 PHE 96 + HD1 PHE 96 OK 58 100 - 58 - 4.9=35, 2.5/14569=14...(13) HE1 PHE 96 + HD2 PHE 96 OK 57 100 - 57 - 4.9=35, 2.5/14569=14...(12) HD21 ASN 51 - HD2 PHE 96 lone 2 65 - 2 - HD21 ASN 51 - HD1 PHE 96 lone 2 65 - 2 - Peak 14565 from cnoeabs.peaks (7.06, 7.03, 131.42 ppm; 3.82 A): 2 out of 4 assignments used, quality = 0.95: HZ PHE 96 + HD2 PHE 96 OK 79 100 - 79 - 4.3=72, 14569/4.3=10...(7) * HZ PHE 96 + HD1 PHE 96 OK 79 100 - 79 - 4.3=72, 14569/4.3=10...(7) HZ3 TRP 92 - HD1 PHE 96 lone 4 100 - 4 - 5568/2.5=2, 6.4/5561=1 HZ3 TRP 92 - HD2 PHE 96 lone 4 100 - 4 - 14568/2.5=2, 6.4/14561=1 Peak 14566 from cnoeabs.peaks (7.03, 6.96, 131.40 ppm; 3.89 A): 4 out of 4 assignments used, quality = 1.00: HD2 PHE 96 + HE2 PHE 96 OK 100 100 - 100 - 2.5=100 * HD1 PHE 96 + HE1 PHE 96 OK 99 99 - 100 - 2.5=100 HD1 PHE 96 + HE2 PHE 96 OK 72 100 - 72 - 4.9=49, 14569/2.5=17...(19) HD2 PHE 96 + HE1 PHE 96 OK 71 99 - 71 - 4.9=49, 14569/2.5=17...(17) Peak 14567 from cnoeabs.peaks (6.96, 6.96, 131.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE2 PHE 96 + HE2 PHE 96 OK 100 100 - 100 * HE1 PHE 96 + HE1 PHE 96 OK 99 99 - 100 Peak 14568 from cnoeabs.peaks (7.06, 6.96, 131.40 ppm; 4.59 A): 2 out of 4 assignments used, quality = 1.00: HZ PHE 96 + HE2 PHE 96 OK 100 100 - 100 - 2.5=100 * HZ PHE 96 + HE1 PHE 96 OK 99 99 - 100 - 2.5=100 HZ3 TRP 92 - HE2 PHE 96 OK 14 100 - 14 - ~14539=2, ~5539=2...(8) HZ3 TRP 92 - HE1 PHE 96 OK 14 99 - 13 - ~14539=2, ~5539=2...(8) Peak 14569 from cnoeabs.peaks (7.03, 7.06, 130.85 ppm; 3.78 A): 2 out of 2 assignments used, quality = 0.94: HD2 PHE 96 + HZ PHE 96 OK 76 99 - 77 - 4.3=70, 4.3/5565=10...(7) * HD1 PHE 96 + HZ PHE 96 OK 76 99 - 77 - 4.3=70, 4.3/5565=10...(7) Peak 14570 from cnoeabs.peaks (6.96, 7.06, 130.85 ppm; 4.07 A): 2 out of 3 assignments used, quality = 1.00: HE2 PHE 96 + HZ PHE 96 OK 99 99 - 100 - 2.5=100 * HE1 PHE 96 + HZ PHE 96 OK 99 99 - 100 - 2.5=100 HD21 ASN 51 - HZ PHE 96 lone 2 63 - 4 - Peak 14571 from cnoeabs.peaks (7.06, 7.06, 130.85 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HZ PHE 96 + HZ PHE 96 OK 99 99 - 100 Peak 14572 from cnoeabs.peaks (2.04, 6.43, 132.25 ppm; 5.62 A): 4 out of 16 assignments used, quality = 0.57: HB3 GLU 48 + HD1 TYR 4 OK 19 99 - 20 - 1.8/14502=3, ~8130=3...(9) HB3 GLU 48 + HD2 TYR 4 OK 19 99 - 19 - 1.8/14502=3, ~8130=3...(9) HG12 ILE 93 + HD2 TYR 4 OK 19 98 - 19 - 4146/5.4=6, 4.6/14583=3...(6) HG12 ILE 93 + HD1 TYR 4 OK 18 98 - 19 - 4146/5.6=6, 4.6/14583=3...(6) HB3 GLU 98 - HD1 TYR 4 lone 9 100 - 9 - 3.0/5503=2, 4.6/14582=1 HB3 GLU 98 - HD2 TYR 4 lone 9 100 - 9 - 3.0/5503=2, 4.6/14582=1 HB2 GLU 98 - HD2 TYR 4 lone 9 100 - 9 - 3.0/5503=2, 4.6/14582=1 HB2 GLU 98 - HD1 TYR 4 lone 9 100 - 9 - 3.0/5503=2, 4.6/14582=1 HB2 GLU 99 - HD1 TYR 4 lone 7 100 - 7 - 3.9/14582=2 HB2 GLU 99 - HD2 TYR 4 lone 7 100 - 7 - 3.9/14582=2 HB3 GLU 99 - HD1 TYR 4 lone 7 98 - 7 - 3.9/14582=2 HB3 GLU 99 - HD2 TYR 4 lone 7 98 - 7 - 3.9/14582=2 HB2 MET 21 - HD1 TYR 4 lone 5 97 - 6 - HB2 MET 21 - HD2 TYR 4 lone 5 97 - 6 - HB2 MET 74 - HD1 TYR 4 lone 2 61 - 3 - HB2 MET 74 - HD2 TYR 4 lone 2 61 - 3 - Peak 14573 from cnoeabs.peaks (1.70, 6.43, 132.25 ppm; 4.56 A): 2 out of 36 assignments used, quality = 0.94: HB2 LEU 2 + HD1 TYR 4 OK 75 100 - 75 - 1.8/8040=12, 8039/2.5=10...(24) HB2 LEU 2 + HD2 TYR 4 OK 75 100 - 75 - 1.8/8040=12, 8039/2.5=10...(24) HB3 LYS 53 - HD2 TYR 4 OK 20 84 - 24 - 9209/5.4=10, 9203/4.3=5...(5) HB3 LYS 53 - HD1 TYR 4 OK 20 84 - 23 - 9209/5.6=10, 9203/4.2=5...(5) HG12 ILE 15 - HD2 TYR 4 lone 8 99 - 8 - 1.8/14576=1, 2.1/14576=1 HG12 ILE 15 - HD1 TYR 4 lone 8 99 - 8 - 1.8/14576=1, 2.1/14576=1 HG LEU 70 - HD2 TYR 4 lone 5 100 - 5 - HG LEU 70 - HD1 TYR 4 lone 5 100 - 5 - HD3 LYS 90 - HD2 TYR 4 lone 4 100 - 4 - 8138/5.4=1 HD3 LYS 12 - HD2 TYR 4 lone 4 100 - 4 - HD2 LYS 12 - HD2 TYR 4 lone 4 100 - 4 - HD3 LYS 12 - HD1 TYR 4 lone 4 100 - 4 - HD2 LYS 12 - HD1 TYR 4 lone 4 100 - 4 - HD3 LYS 90 - HD1 TYR 4 lone 4 100 - 4 - 8138/5.6=1 HD3 LYS 24 - HD2 TYR 4 lone 4 100 - 4 - HD3 LYS 24 - HD1 TYR 4 lone 4 100 - 4 - HD2 LYS 24 - HD2 TYR 4 lone 4 100 - 4 - HD3 LYS 66 - HD2 TYR 4 lone 4 100 - 4 - HD2 LYS 24 - HD1 TYR 4 lone 4 100 - 4 - HD3 LYS 66 - HD1 TYR 4 lone 4 100 - 4 - HG2 PRO 86 - HD2 TYR 4 lone 4 98 - 4 - HG2 PRO 86 - HD1 TYR 4 lone 4 98 - 4 - HD2 LYS 13 - HD2 TYR 4 lone 4 100 - 4 - HD2 LYS 13 - HD1 TYR 4 lone 4 100 - 4 - HD3 LYS 13 - HD2 TYR 4 lone 4 99 - 4 - HD3 LYS 13 - HD1 TYR 4 lone 4 99 - 4 - HB3 LYS 40 - HD2 TYR 4 lone 3 77 - 4 - 8138/5.4=1 HB3 LYS 40 - HD1 TYR 4 lone 3 77 - 4 - 8138/5.6=1 HB3 LEU 70 - HD1 TYR 4 lone 3 70 - 4 - HB3 LEU 70 - HD2 TYR 4 lone 3 70 - 4 - HB3 ARG 91 - HD2 TYR 4 lone 2 73 - 3 - HB3 ARG 91 - HD1 TYR 4 lone 2 73 - 3 - HD3 LYS 47 - HD2 TYR 4 lone 1 70 - 2 - HD3 LYS 47 - HD1 TYR 4 lone 1 70 - 2 - HD2 LYS 47 - HD2 TYR 4 lone 1 65 - 2 - HD2 LYS 47 - HD1 TYR 4 lone 1 65 - 2 - Peak 14574 from cnoeabs.peaks (1.53, 6.43, 132.25 ppm; 4.81 A): 4 out of 20 assignments used, quality = 0.97: HG LEU 2 + HD1 TYR 4 OK 68 90 - 76 - 3.0/8040=11, 2.1/8042=10...(20) HG LEU 2 + HD2 TYR 4 OK 68 90 - 76 - 3.0/8040=11, 2.1/8042=10...(20) HG LEU 6 + HD1 TYR 4 OK 46 100 - 46 - ~8209=9, 2.1/14577=7...(12) HG LEU 6 + HD2 TYR 4 OK 46 100 - 46 - ~8209=9, 2.1/14577=7...(12) HB ILE 7 - HD1 TYR 4 OK 26 99 - 26 - 8146/3.7=4, 242/4.2=3...(10) HB ILE 7 - HD2 TYR 4 OK 26 99 - 26 - 8146/3.7=4, 242/4.3=3...(10) HG3 ARG 30 - HD1 TYR 4 OK 23 99 - 23 - 1.8/8702=10, ~8702=5...(6) HG3 ARG 30 - HD2 TYR 4 OK 23 99 - 23 - 1.8/8702=10, ~8702=5...(6) HB2 LEU 14 - HD1 TYR 4 OK 21 99 - 21 - 8146/3.7=6, 8143/3.7=3...(8) HB2 LEU 14 - HD2 TYR 4 OK 21 99 - 21 - 8146/3.7=6, 8143/3.7=3...(8) HG12 ILE 56 - HD1 TYR 4 OK 11 99 - 11 - 8146/3.7=2, 8143/3.7=2 HG12 ILE 56 - HD2 TYR 4 OK 11 99 - 11 - 8146/3.7=2, 8143/3.7=2 HB3 LEU 103 - HD1 TYR 4 lone 8 100 - 8 - 3.1/14599=1 HB3 LEU 103 - HD2 TYR 4 lone 8 100 - 8 - 3.1/14599=1 HG2 ARG 79 - HD1 TYR 4 lone 8 96 - 8 - 8146/3.7=1, 8143/3.7=1 HG2 ARG 79 - HD2 TYR 4 lone 7 96 - 8 - 8146/3.7=1, 8143/3.7=1 HG3 ARG 79 - HD1 TYR 4 lone 7 94 - 7 - 8146/3.7=1, 8143/3.7=1 HG3 ARG 79 - HD2 TYR 4 lone 7 94 - 7 - 8146/3.7=1, 8143/3.7=1 HG3 LYS 24 - HD1 TYR 4 lone 3 65 - 4 - HG3 LYS 24 - HD2 TYR 4 lone 3 65 - 4 - Peak 14575 from cnoeabs.peaks (1.32, 6.43, 132.25 ppm; 5.64 A): 6 out of 6 assignments used, quality = 0.93: HB3 LEU 2 + HD1 TYR 4 OK 61 73 - 83 - 14594/2.5=14...(20) HB3 LEU 2 + HD2 TYR 4 OK 60 73 - 82 - 14594/2.5=14...(20) HG LEU 3 + HD2 TYR 4 OK 20 65 - 31 - 3.7/8062=10, 6036/5.4=9...(4) HG LEU 3 + HD1 TYR 4 OK 20 65 - 31 - 3.7/8062=10, 6036/5.6=9...(4) HB3 LEU 42 + HD2 TYR 4 OK 13 81 - 17 - 6036/5.4=4...(6) HB3 LEU 42 + HD1 TYR 4 OK 13 81 - 17 - 6036/5.6=4, 3.1/14577=2...(6) Peak 14576 from cnoeabs.peaks (0.75, 6.43, 132.25 ppm; 4.15 A): 5 out of 24 assignments used, quality = 0.91: QG1 VAL 54 + HD2 TYR 4 OK 57 96 - 59 - 9245/3.7=20, 9246/3.7=17...(12) QG1 VAL 54 + HD1 TYR 4 OK 56 96 - 59 - 9245/3.7=20, 9246/3.7=17...(12) QD1 LEU 6 + HD2 TYR 4 OK 23 70 - 34 - ~8209=7, 2.1/14577=5...(11) QD1 LEU 6 + HD1 TYR 4 OK 23 70 - 34 - ~8209=7, 2.1/14577=5...(11) QG2 ILE 93 + HD2 TYR 4 OK 18 100 - 18 - 4138/5.4=4, 8141/4.3=3...(6) QG2 ILE 93 - HD1 TYR 4 OK 17 100 - 17 - 4138/5.6=4, 8141/4.2=3...(6) HG13 ILE 93 - HD2 TYR 4 OK 14 92 - 15 - 4154/5.4=3, 8141/4.3=3...(6) HG13 ILE 93 - HD1 TYR 4 OK 14 92 - 15 - 8141/4.2=3, 4154/5.6=3...(6) QD1 LEU 27 - HD2 TYR 4 OK 12 77 - 16 - 4.7/14582=3, 10487/4.3=3...(5) QD1 LEU 27 - HD1 TYR 4 OK 12 77 - 16 - 4.7/14582=3, 10487/4.2=3...(5) QD2 LEU 42 - HD1 TYR 4 poor 10 84 - 12 - 2.1/14577=1, 3.1/14575=1 QD2 LEU 42 - HD2 TYR 4 poor 10 84 - 12 - 3.1/14575=1, 2.1/14577=1 HG13 ILE 15 - HD1 TYR 4 lone 10 100 - 10 - 8141/4.2=1, 8147/3.7=1 HG13 ILE 15 - HD2 TYR 4 lone 10 100 - 10 - 8141/4.3=1, 8147/3.7=1 QD1 ILE 15 - HD1 TYR 4 lone 9 98 - 9 - 8147/3.7=1, 8144/3.7=1 QD1 ILE 15 - HD2 TYR 4 lone 9 98 - 9 - 8147/3.7=1, 8144/3.7=1 QD1 ILE 93 - HD2 TYR 4 poor 9 73 - 12 - 2.1/14572=2, 4162/5.4=2...(5) QD1 ILE 93 - HD1 TYR 4 poor 9 73 - 12 - 2.1/14572=2, 4162/5.6=2...(5) HG3 ARG 81 - HD1 TYR 4 lone 8 81 - 10 - 8141/4.2=3, 8147/3.7=2 HG3 ARG 81 - HD2 TYR 4 lone 8 81 - 9 - 8141/4.3=3, 8147/3.7=2 QG1 VAL 78 - HD1 TYR 4 lone 3 96 - 3 - QG1 VAL 78 - HD2 TYR 4 lone 3 96 - 3 - QD1 LEU 64 - HD1 TYR 4 lone 3 87 - 3 - QD1 LEU 64 - HD2 TYR 4 lone 3 87 - 3 - Peak 14577 from cnoeabs.peaks (0.69, 6.43, 132.25 ppm; 4.31 A): 4 out of 12 assignments used, quality = 0.97: QD1 ILE 52 + HD1 TYR 4 OK 68 98 - 69 - 3.1/9143=11, 9148=11...(19) QD1 ILE 52 + HD2 TYR 4 OK 68 98 - 69 - 3.1/9143=11, 9148=11...(19) QD2 LEU 6 + HD2 TYR 4 OK 45 100 - 45 - 8209/2.5=12, 8230/3.7=10...(12) QD2 LEU 6 + HD1 TYR 4 OK 45 100 - 45 - 8209/2.5=12, 8230/3.7=10...(12) QD1 LEU 14 - HD1 TYR 4 OK 12 90 - 13 - 8424/4.2=3, 14597/2.5=2...(6) QD1 LEU 14 - HD2 TYR 4 OK 12 90 - 13 - 8424/4.3=2, 8159/2.5=2...(6) QD1 LEU 42 - HD1 TYR 4 OK 11 100 - 11 - 3.1/14575=1, 14597/2.5=1 QD1 LEU 42 - HD2 TYR 4 OK 11 100 - 11 - 3.1/14575=1, 14597/2.5=1 QG2 VAL 58 - HD2 TYR 4 lone 6 84 - 8 - 10717/3.7=2, 9391/5.4=2 QG2 VAL 58 - HD1 TYR 4 lone 6 84 - 7 - 10717/3.7=2, 9391/5.6=1 QD1 ILE 56 - HD1 TYR 4 lone 3 61 - 4 - QD1 ILE 56 - HD2 TYR 4 lone 3 61 - 4 - Peak 14579 from cnoeabs.peaks (4.31, 6.43, 132.25 ppm; 6.50 A): 2 out of 6 assignments used, quality = 0.94: HA GLU 28 + HD1 TYR 4 OK 76 100 - 76 - 3.0/8652=15, 8651/2.5=12...(14) HA GLU 28 + HD2 TYR 4 OK 76 100 - 76 - 3.0/8652=15, 8651/2.5=12...(14) HA ASP 65 - HD1 TYR 4 lone 10 100 - 10 - 3.6/14582=2, 1236/8652=1 HA ASP 65 - HD2 TYR 4 lone 10 100 - 10 - 3.6/14582=2, 1236/8652=1 HA LEU 103 - HD1 TYR 4 poor 10 90 - 11 - 3.9/14599=2 HA LEU 103 - HD2 TYR 4 poor 9 90 - 11 - 3.9/14599=2 Peak 14581 from cnoeabs.peaks (5.14, 6.45, 118.20 ppm; 5.93 A): 2 out of 10 assignments used, quality = 1.00: HA TYR 4 + HE1 TYR 4 OK 95 100 - 95 - 6.3=81, 3.0/8129=18...(14) HA TYR 4 + HE2 TYR 4 OK 92 98 - 94 - 6.4=79, 3.0/8129=18...(14) HA VAL 54 - HE1 TYR 4 OK 43 68 - 63 - 3.2/9224=11...(16) HA VAL 54 - HE2 TYR 4 OK 41 65 - 63 - 3.2/9224=11...(15) HA LEU 3 - HE1 TYR 4 OK 41 79 - 52 - 99/7.6=11, 3.0/8059=10...(10) HA LEU 3 - HE2 TYR 4 OK 40 76 - 52 - 99/7.4=11, 3.0/8059=9...(10) HA ILE 7 - HE1 TYR 4 OK 25 88 - 29 - 155/5.4=3, 148/5.4=3...(10) HA ILE 7 - HE2 TYR 4 OK 24 85 - 29 - 155/5.4=3, 148/5.4=3...(10) HA SER 85 - HE1 TYR 4 OK 11 97 - 11 - 148/5.4=1, 155/5.4=1 HA SER 85 - HE2 TYR 4 OK 11 95 - 11 - 148/5.4=1, 155/5.4=1...(4) Peak 14582 from cnoeabs.peaks (7.81, 6.43, 132.25 ppm; 6.24 A): 2 out of 14 assignments used, quality = 0.93: H GLU 28 + HD1 TYR 4 OK 74 96 - 77 - 8655/4.2=26...(16) H GLU 28 + HD2 TYR 4 OK 73 96 - 77 - 8655/4.3=26...(16) H SER 9 - HD1 TYR 4 OK 22 99 - 22 - 8123/4.2=8, 14586/2.5=3...(5) H SER 9 - HD2 TYR 4 OK 22 99 - 22 - 8123/4.3=8, 14586/2.5=2...(5) H LYS 66 - HD1 TYR 4 OK 18 99 - 18 - 8123/4.2=4, 14586/2.5=2...(5) H GLU 99 - HD1 TYR 4 OK 18 87 - 20 - 8123/4.2=3, 4.6/14572=2...(9) H LYS 66 - HD2 TYR 4 OK 18 99 - 18 - 8123/4.3=4, 14586/2.5=2...(5) H GLU 99 - HD2 TYR 4 OK 18 87 - 20 - 8123/4.3=3, 4.6/14572=2...(9) HE ARG 30 - HD2 TYR 4 OK 15 70 - 21 - 4.0/8702=11, 4.0/14574=2...(5) HE ARG 30 - HD1 TYR 4 OK 15 70 - 21 - 4.0/8702=11, 4.0/14574=2...(5) H LYS 20 - HD1 TYR 4 OK 12 81 - 14 - 8123/4.2=3, 4.6/14585=1 H LYS 20 - HD2 TYR 4 OK 12 81 - 14 - 8123/4.3=3, 4.6/14585=1 H TYR 41 - HD1 TYR 4 lone 6 70 - 9 - 8123/4.2=1 H TYR 41 - HD2 TYR 4 lone 6 70 - 9 - 8123/4.3=1 Peak 14583 from cnoeabs.peaks (8.35, 6.43, 132.25 ppm; 5.16 A): 2 out of 6 assignments used, quality = 0.94: H TYR 4 + HD2 TYR 4 OK 77 81 - 96 - 5.4=89, 6040/3.7=21...(13) H TYR 4 + HD1 TYR 4 OK 74 81 - 92 - 5.6=77, 6040/3.7=21...(13) H ILE 93 - HD2 TYR 4 OK 18 70 - 26 - 147/3.7=5, 154/3.7=5...(8) H ILE 93 - HD1 TYR 4 OK 18 70 - 26 - 147/3.7=5, 154/3.7=5...(8) H GLU 95 - HD1 TYR 4 OK 12 81 - 14 - 147/3.7=3, 140/4.2=3...(5) H GLU 95 - HD2 TYR 4 OK 12 81 - 14 - 147/3.7=3, 154/3.7=3...(5) Peak 14584 from cnoeabs.peaks (8.45, 6.43, 132.25 ppm; 6.50 A): 5 out of 6 assignments used, quality = 0.93: H LEU 29 + HD1 TYR 4 OK 52 100 - 53 - 3.6/14579=14...(9) H LEU 29 + HD2 TYR 4 OK 52 100 - 52 - 3.6/14579=14...(9) H LYS 53 + HD2 TYR 4 OK 37 61 - 61 - 4.3/9143=13, 3.6/9140=11...(12) H LYS 53 + HD1 TYR 4 OK 37 61 - 61 - 4.3/9143=14, 3.6/9140=11...(13) H ILE 7 + HD1 TYR 4 OK 26 92 - 29 - 6078/4.2=5, 4.0/14574=3...(11) H ILE 7 - HD2 TYR 4 OK 26 92 - 29 - 6078/4.3=5, 4.0/14574=3...(11) Peak 14585 from cnoeabs.peaks (8.91, 6.43, 132.25 ppm; 6.26 A): 2 out of 6 assignments used, quality = 0.99: H VAL 5 + HD1 TYR 4 OK 89 99 - 90 - 6049/3.7=45, 146/4.2=39...(14) H VAL 5 + HD2 TYR 4 OK 89 99 - 90 - 6049/3.7=45, 146/4.3=39...(14) H LEU 57 - HD2 TYR 4 OK 26 77 - 34 - 153/3.7=9, 160/3.7=8...(5) H LEU 57 - HD1 TYR 4 OK 26 77 - 33 - 153/3.7=9, 160/3.7=8...(5) H ARG 19 - HD2 TYR 4 OK 12 81 - 14 - 6044/5.4=3, 153/3.7=2...(5) H ARG 19 - HD1 TYR 4 OK 12 81 - 14 - 6044/5.6=3, 153/3.7=2...(5) Peak 14586 from cnoeabs.peaks (7.81, 6.45, 118.20 ppm; 6.50 A): 2 out of 14 assignments used, quality = 0.92: H GLU 28 + HE1 TYR 4 OK 72 95 - 77 - 8655/6.3=20, 8649=13...(17) H GLU 28 + HE2 TYR 4 OK 70 92 - 76 - 8655/6.4=20, 8649=13...(17) H SER 9 - HE1 TYR 4 OK 20 98 - 21 - 8123/6.3=6, 14582/2.5=3...(5) H SER 9 - HE2 TYR 4 OK 19 96 - 20 - 8123/6.4=6, 14582/2.5=3...(5) H LYS 66 - HE1 TYR 4 OK 16 99 - 16 - 8123/6.3=3, 14582/2.5=2...(4) H LYS 66 - HE2 TYR 4 OK 15 97 - 16 - 8123/6.4=3, 14582/2.5=2...(4) H GLU 99 - HE1 TYR 4 OK 14 86 - 16 - 14582/2.5=2, 8123/6.3=2...(4) H GLU 99 - HE2 TYR 4 OK 13 83 - 16 - 14582/2.5=2, 8123/6.4=2...(4) HE ARG 30 - HE1 TYR 4 OK 13 68 - 19 - 4.0/8702=8, 4.0/14593=3...(5) HE ARG 30 - HE2 TYR 4 OK 12 65 - 18 - 4.0/8702=8, 4.0/14593=2...(5) H LYS 20 - HE1 TYR 4 poor 9 79 - 12 - 8123/6.3=2, 14582/2.5=1 H LYS 20 - HE2 TYR 4 poor 9 76 - 12 - 8123/6.4=2, 14582/2.5=1 H TYR 41 - HE1 TYR 4 lone 6 68 - 9 - 8123/6.3=1 H TYR 41 - HE2 TYR 4 lone 6 65 - 9 - 8123/6.4=1 Peak 14588 from cnoeabs.peaks (4.53, 6.45, 118.20 ppm; 6.50 A): 0 out of 6 assignments used, low quality = 0.22: HA PHE 45 - HE1 TYR 4 OK 12 97 - 12 - 9170/9148=3, 9235/9224=2 HA PHE 45 - HE2 TYR 4 OK 11 95 - 12 - 9170/9148=3, 9235/9224=2 HA LYS 33 - HE1 TYR 4 poor 10 95 - 10 - 9235/9224=2, 9170/9148=2...(4) HA LYS 33 - HE2 TYR 4 poor 9 92 - 10 - 9235/9224=2, 9170/9148=2...(4) HA PHE 96 - HE1 TYR 4 lone 3 79 - 4 - HA PHE 96 - HE2 TYR 4 lone 3 76 - 4 - Peak 14589 from cnoeabs.peaks (2.44, 6.45, 118.20 ppm; 6.22 A): 2 out of 12 assignments used, quality = 0.96: HB3 TYR 4 + HE1 TYR 4 OK 83 83 - 100 - 5.4=100 HB3 TYR 4 + HE2 TYR 4 OK 80 80 - 100 - 5.4=100 HG3 GLU 48 - HE1 TYR 4 OK 15 72 - 21 - ~14572=4, 3.0/8130=3...(6) HG3 GLU 48 - HE2 TYR 4 OK 14 69 - 21 - ~14572=4, 3.0/8130=3...(6) HG3 GLU 99 - HE1 TYR 4 lone 7 96 - 7 - ~14572=1, 4.7/14586=1 HG3 GLU 99 - HE2 TYR 4 lone 7 94 - 7 - ~14572=1, 4.7/14586=1 HG3 GLU 17 - HE1 TYR 4 lone 4 72 - 5 - HG3 GLN 50 - HE1 TYR 4 lone 4 79 - 5 - HG3 GLU 17 - HE2 TYR 4 lone 4 69 - 5 - HB2 ASP 11 - HE1 TYR 4 lone 4 83 - 4 - HG3 GLN 50 - HE2 TYR 4 lone 4 76 - 5 - HB2 ASP 11 - HE2 TYR 4 lone 4 80 - 4 - Peak 14590 from cnoeabs.peaks (2.28, 6.45, 118.20 ppm; 6.01 A): 2 out of 16 assignments used, quality = 0.99: HB2 TYR 4 + HE1 TYR 4 OK 93 93 - 100 - 5.4=100 HB2 TYR 4 + HE2 TYR 4 OK 90 90 - 100 - 5.4=100 HB2 GLU 48 - HE1 TYR 4 OK 20 72 - 28 - ~14572=4, 5502/2.5=3...(10) HB2 GLU 48 - HE2 TYR 4 OK 19 69 - 28 - ~14572=4, 5502/2.5=3...(9) HG2 GLU 63 - HE1 TYR 4 OK 12 83 - 14 - 156/5.4=2, 142/6.3=2...(6) HG2 GLU 63 - HE2 TYR 4 OK 11 80 - 14 - 156/5.4=2, 142/6.4=2...(6) HG3 GLU 16 - HE1 TYR 4 poor 9 72 - 12 - 142/6.3=2, 156/5.4=2...(5) HG3 GLU 16 - HE2 TYR 4 poor 8 69 - 12 - 142/6.4=2, 156/5.4=2...(5) HG2 GLU 95 - HE1 TYR 4 lone 6 88 - 7 - 4.8/8126=2, 4300/7.6=1 HG2 GLU 95 - HE2 TYR 4 lone 6 85 - 7 - 4.8/8126=2, 4300/7.4=1 HG2 GLU 23 - HE1 TYR 4 lone 3 86 - 3 - HG2 GLU 23 - HE2 TYR 4 lone 2 83 - 3 - HG2 GLU 62 - HE1 TYR 4 lone 2 60 - 3 - HG3 GLU 62 - HE1 TYR 4 lone 2 60 - 3 - HG2 GLU 62 - HE2 TYR 4 lone 2 58 - 3 - HG3 GLU 62 - HE2 TYR 4 lone 2 58 - 3 - Peak 14591 from cnoeabs.peaks (2.06, 6.45, 118.20 ppm; 5.55 A): 4 out of 22 assignments used, quality = 0.98: HG2 GLU 28 + HE1 TYR 4 OK 63 100 - 63 - 3.0/8653=11, ~8652=9...(14) HG3 GLU 28 + HE1 TYR 4 OK 63 100 - 63 - 3.0/8653=11, ~8652=9...(14) HG2 GLU 28 + HE2 TYR 4 OK 61 98 - 62 - 3.0/8653=11, ~8652=9...(14) HG3 GLU 28 + HE2 TYR 4 OK 61 98 - 62 - 3.0/8653=11, ~8652=9...(14) HB3 GLU 48 - HE1 TYR 4 OK 12 72 - 17 - 1.8/8130=3, ~14502=2...(5) HB3 GLU 48 - HE2 TYR 4 OK 11 69 - 16 - 1.8/8130=3, ~14502=2...(6) HB3 LEU 38 - HE1 TYR 4 lone 8 93 - 8 - ~14599=1 HB3 LEU 38 - HE2 TYR 4 lone 8 90 - 8 - ~14599=1 HB2 GLU 16 - HE1 TYR 4 lone 6 86 - 7 - 3.0/8130=1 HB2 GLU 16 - HE2 TYR 4 lone 6 83 - 7 - 3.0/8130=1 HB2 GLU 98 - HE1 TYR 4 lone 5 60 - 9 - ~14572=2, ~5503=1...(4) HB2 GLU 98 - HE2 TYR 4 lone 5 58 - 9 - ~14572=2, ~5503=1...(4) HB3 GLU 43 - HE1 TYR 4 lone 4 100 - 4 - 10608/8041=1 HB3 GLU 43 - HE2 TYR 4 lone 4 98 - 4 - 10608/8041=1 HB2 MET 74 - HE1 TYR 4 lone 3 100 - 3 - HB2 MET 74 - HE2 TYR 4 lone 3 98 - 3 - HB2 MET 21 - HE1 TYR 4 lone 3 83 - 4 - HB2 MET 21 - HE2 TYR 4 lone 3 80 - 4 - HB3 GLU 88 - HE1 TYR 4 lone 2 79 - 3 - HB3 GLU 88 - HE2 TYR 4 lone 2 76 - 3 - HB3 GLU 35 - HE1 TYR 4 lone 2 68 - 3 - HB3 GLU 35 - HE2 TYR 4 lone 2 65 - 3 - Peak 14592 from cnoeabs.peaks (1.70, 6.45, 118.20 ppm; 4.58 A): 4 out of 36 assignments used, quality = 0.94: HB2 LEU 2 + HE1 TYR 4 OK 71 97 - 73 - 8039=13, 1.8/14594=12...(20) HB2 LEU 2 + HE2 TYR 4 OK 69 95 - 73 - 8039=13, 1.8/14594=12...(20) HB3 LYS 53 + HE1 TYR 4 OK 19 91 - 21 - 9209/7.6=7, 3.9/9208=5...(5) HB3 LYS 53 + HE2 TYR 4 OK 19 88 - 22 - 9209/7.4=8, 3.9/9208=6...(5) HG12 ILE 15 - HE1 TYR 4 lone 8 100 - 8 - HG12 ILE 15 - HE2 TYR 4 lone 8 98 - 8 - HG LEU 70 - HE1 TYR 4 lone 5 99 - 5 - HG LEU 70 - HE2 TYR 4 lone 4 97 - 5 - HD3 LYS 12 - HE1 TYR 4 lone 4 98 - 4 - HD2 LYS 12 - HE1 TYR 4 lone 4 98 - 4 - HD3 LYS 66 - HE1 TYR 4 lone 4 97 - 4 - HD3 LYS 24 - HE1 TYR 4 lone 4 100 - 4 - HD2 LYS 24 - HE1 TYR 4 lone 4 100 - 4 - HD3 LYS 12 - HE2 TYR 4 lone 4 96 - 4 - HD2 LYS 12 - HE2 TYR 4 lone 4 96 - 4 - HD3 LYS 66 - HE2 TYR 4 lone 4 95 - 4 - HD3 LYS 24 - HE2 TYR 4 lone 4 98 - 4 - HD2 LYS 24 - HE2 TYR 4 lone 4 98 - 4 - HG2 PRO 86 - HE1 TYR 4 lone 4 99 - 4 - HD3 LYS 90 - HE1 TYR 4 lone 4 100 - 4 - HG2 PRO 86 - HE2 TYR 4 lone 4 97 - 4 - HD3 LYS 90 - HE2 TYR 4 lone 4 98 - 4 - HD2 LYS 13 - HE1 TYR 4 lone 3 98 - 3 - HD3 LYS 13 - HE1 TYR 4 lone 3 96 - 3 - HD2 LYS 13 - HE2 TYR 4 lone 3 96 - 3 - HD3 LYS 13 - HE2 TYR 4 lone 3 94 - 3 - HB3 LYS 40 - HE1 TYR 4 lone 3 86 - 4 - HB3 LYS 40 - HE2 TYR 4 lone 3 83 - 4 - HB3 ARG 91 - HE1 TYR 4 lone 2 83 - 3 - HB3 ARG 91 - HE2 TYR 4 lone 2 80 - 3 - HD2 LYS 20 - HE1 TYR 4 lone 1 64 - 2 - HD2 LYS 20 - HE2 TYR 4 lone 1 61 - 2 - HD3 LYS 47 - HE1 TYR 4 lone 1 79 - 2 - HD3 LYS 47 - HE2 TYR 4 lone 1 76 - 2 - HD2 LYS 47 - HE1 TYR 4 lone 1 76 - 2 - HD2 LYS 47 - HE2 TYR 4 lone 1 73 - 2 - Peak 14593 from cnoeabs.peaks (1.53, 6.45, 118.20 ppm; 5.32 A): 5 out of 20 assignments used, quality = 0.94: HG LEU 2 + HE1 TYR 4 OK 52 68 - 76 - 3.0/14594=14...(17) HG LEU 2 + HE2 TYR 4 OK 50 65 - 76 - 2.1/8157=13...(17) HG LEU 6 + HE1 TYR 4 OK 45 96 - 47 - 2.1/8209=14, ~8209=6...(12) HG LEU 6 + HE2 TYR 4 OK 44 94 - 47 - 2.1/8209=14, ~8209=6...(12) HG3 ARG 30 + HE1 TYR 4 OK 25 100 - 25 - 1.8/8702=9, ~8702=8...(6) HG3 ARG 30 - HE2 TYR 4 OK 24 98 - 25 - ~8702=8, 1.8/8702=8...(6) HB ILE 7 - HE1 TYR 4 OK 22 91 - 24 - 8146/5.4=4, 8143/5.4=3...(9) HB ILE 7 - HE2 TYR 4 OK 21 88 - 24 - 8146/5.4=4, 8143/5.4=3...(9) HB2 LEU 14 - HE1 TYR 4 OK 19 91 - 21 - 8146/5.4=5, 8143/5.4=3...(8) HB2 LEU 14 - HE2 TYR 4 OK 19 88 - 21 - 8146/5.4=5, 8143/5.4=3...(8) HG12 ILE 56 - HE1 TYR 4 OK 11 100 - 11 - 8146/5.4=2, 8143/5.4=2 HG12 ILE 56 - HE2 TYR 4 OK 11 98 - 11 - 8146/5.4=2, 8143/5.4=2 HG2 ARG 79 - HE1 TYR 4 lone 8 100 - 8 - 8143/5.4=1, 8146/5.4=1 HG3 ARG 79 - HE1 TYR 4 lone 8 99 - 8 - 8143/5.4=1, 8146/5.4=1 HG2 ARG 79 - HE2 TYR 4 lone 8 98 - 8 - 8143/5.4=1, 8146/5.4=1 HG3 ARG 79 - HE2 TYR 4 lone 8 97 - 8 - 8143/5.4=1, 8146/5.4=1 HB3 LEU 103 - HE1 TYR 4 lone 7 93 - 8 - HB3 LEU 103 - HE2 TYR 4 lone 7 90 - 8 - HG2 LYS 33 - HE1 TYR 4 lone 6 72 - 8 - 3.9/14588=5 HG2 LYS 33 - HE2 TYR 4 lone 6 69 - 8 - 3.9/14588=4 Peak 14594 from cnoeabs.peaks (1.32, 6.45, 118.20 ppm; 5.07 A): 2 out of 14 assignments used, quality = 0.92: HB3 LEU 2 + HE1 TYR 4 OK 73 95 - 77 - 1.8/8039=13, 8040/2.5=11...(19) HB3 LEU 2 + HE2 TYR 4 OK 71 92 - 77 - 1.8/8039=13, 8040/2.5=11...(19) HB3 LEU 27 - HE1 TYR 4 poor 9 60 - 15 - 4.4/8649=7, 3.1/14596=2 HB3 LEU 27 - HE2 TYR 4 poor 8 58 - 15 - 4.4/8649=7, 3.1/14596=2 HG2 LYS 94 - HE1 TYR 4 lone 5 79 - 7 - 4218/7.6=2, 4.9/8126=1 HG2 LYS 94 - HE2 TYR 4 lone 5 76 - 7 - 4218/7.4=2, 4.9/8126=1 QB ALA 89 - HE1 TYR 4 lone 4 79 - 4 - QB ALA 89 - HE2 TYR 4 lone 3 76 - 4 - QB ALA 67 - HE1 TYR 4 lone 3 86 - 4 - QB ALA 67 - HE2 TYR 4 lone 3 83 - 4 - QB ALA 25 - HE1 TYR 4 lone 3 79 - 4 - QB ALA 25 - HE2 TYR 4 lone 3 76 - 4 - HB2 LYS 82 - HE1 TYR 4 lone 2 64 - 4 - HB2 LYS 82 - HE2 TYR 4 lone 2 61 - 4 - Peak 14595 from cnoeabs.peaks (1.04, 6.45, 118.20 ppm; 6.50 A): 2 out of 8 assignments used, quality = 0.98: HG12 ILE 52 + HE1 TYR 4 OK 85 100 - 86 - 9145=14, 3.0/9142=13...(22) HG12 ILE 52 + HE2 TYR 4 OK 83 98 - 85 - 9145=14, 3.0/9142=13...(22) HB3 ARG 81 - HE1 TYR 4 OK 11 79 - 14 - 3599/5.4=3, 2346/9142=1...(4) HB3 ARG 81 - HE2 TYR 4 OK 11 76 - 14 - 3599/5.4=3, 2346/9142=1...(4) HB3 LEU 55 - HE1 TYR 4 poor 8 72 - 12 - 8052/14594=2...(3) HB3 LEU 55 - HE2 TYR 4 poor 8 69 - 12 - 8052/14594=2...(3) HG2 LYS 82 - HE1 TYR 4 lone 4 60 - 6 - 9240/9224=1 HG2 LYS 82 - HE2 TYR 4 lone 3 58 - 6 - 9240/9224=1 Peak 14596 from cnoeabs.peaks (0.77, 6.45, 118.20 ppm; 4.06 A): 4 out of 18 assignments used, quality = 0.95: QG2 ILE 52 + HE1 TYR 4 OK 61 95 - 64 - 9143/2.5=11, 2.1/9142=8...(20) QG2 ILE 52 + HE2 TYR 4 OK 58 92 - 64 - 9143/2.5=10, 2.1/9142=8...(20) QG1 VAL 54 + HE1 TYR 4 OK 45 93 - 49 - 9245/5.4=12, 9246/5.4=10...(13) QG1 VAL 54 + HE2 TYR 4 OK 44 90 - 49 - 9245/5.4=12, 9246/5.4=10...(13) QD1 LEU 6 - HE1 TYR 4 OK 33 100 - 33 - 2.1/8209=10, ~8209=4...(11) QD1 LEU 6 - HE2 TYR 4 OK 32 98 - 33 - 2.1/8209=11, ~8209=4...(11) QD1 LEU 27 - HE1 TYR 4 OK 15 100 - 15 - 4.7/8649=4, 10487/6.3=3...(4) QD1 LEU 27 - HE2 TYR 4 OK 15 98 - 15 - 4.7/8649=4, 10487/6.4=3...(4) QD2 LEU 42 - HE1 TYR 4 OK 12 99 - 12 - 10599/9145=2, 2.1/14597=1 QD2 LEU 42 - HE2 TYR 4 OK 12 97 - 12 - 10599/9145=1, 2.1/14597=1 QD1 ILE 93 - HE1 TYR 4 OK 11 100 - 11 - 4162/7.6=2, ~14572=2, 5.0/8126=1 QD1 ILE 93 - HE2 TYR 4 OK 11 98 - 11 - 4162/7.4=2, ~14572=2, 5.0/8126=1 QD1 ILE 15 - HE1 TYR 4 lone 7 88 - 7 - QD1 ILE 15 - HE2 TYR 4 lone 6 85 - 7 - QG2 ILE 8 - HE1 TYR 4 lone 5 72 - 7 - HG13 ILE 15 - HE1 TYR 4 lone 5 72 - 7 - QG2 ILE 8 - HE2 TYR 4 lone 5 69 - 7 - HG13 ILE 15 - HE2 TYR 4 lone 5 69 - 7 - Peak 14597 from cnoeabs.peaks (0.68, 6.45, 118.20 ppm; 4.36 A): 6 out of 10 assignments used, quality = 0.94: QD1 ILE 52 + HE1 TYR 4 OK 51 83 - 62 - 2.1/9145=9, 9148=9...(17) QD1 ILE 52 + HE2 TYR 4 OK 48 80 - 61 - 2.1/9145=9, 9148=9...(17) QD2 LEU 6 + HE1 TYR 4 OK 45 98 - 45 - 8209=14, 8209/4.3=8...(11) QD2 LEU 6 + HE2 TYR 4 OK 44 96 - 45 - 8209=14, 8209/4.3=8...(11) QD1 LEU 14 + HE1 TYR 4 OK 15 99 - 15 - 8148/5.4=3, 8152/2.5=2...(6) QD1 LEU 14 + HE2 TYR 4 OK 14 97 - 15 - 8148/5.4=3, 8152/2.5=2...(6) QD1 LEU 42 - HE1 TYR 4 poor 10 96 - 10 - 2.1/14596=1, 14577/2.5=1 QD1 LEU 42 - HE2 TYR 4 poor 9 94 - 10 - 14577/2.5=1, 2.1/14596=1 QG2 VAL 58 - HE1 TYR 4 lone 8 97 - 8 - 10717/5.4=2, 9391/7.6=1...(4) QG2 VAL 58 - HE2 TYR 4 lone 8 95 - 8 - 10717/5.4=2, 9391/7.4=1...(4) Peak 14598 from cnoeabs.peaks (0.88, 6.45, 118.20 ppm; 5.32 A): 2 out of 12 assignments used, quality = 0.96: QD1 LEU 2 + HE1 TYR 4 OK 81 100 - 81 - 3.1/14594=13...(19) QD1 LEU 2 + HE2 TYR 4 OK 79 98 - 81 - 3.1/14594=13...(19) HG13 ILE 7 - HE1 TYR 4 OK 16 86 - 19 - 266/6.3=3, 2.9/8154=2...(10) HG13 ILE 7 - HE2 TYR 4 OK 15 83 - 19 - 266/6.4=3, 2.9/8154=2...(10) QG2 ILE 76 - HE1 TYR 4 OK 12 100 - 12 - 11070/9224=2, 82/8041=1 QG2 ILE 76 - HE2 TYR 4 OK 12 98 - 12 - 11070/9224=2, 82/8041=1 HG13 ILE 8 - HE1 TYR 4 poor 10 97 - 10 - 10640/9148=1, 11070/9224=1 HG13 ILE 8 - HE2 TYR 4 lone 9 95 - 10 - 10640/9148=1, 11070/9224=1 QD1 LEU 103 - HE1 TYR 4 lone 5 68 - 7 - QD1 LEU 103 - HE2 TYR 4 lone 4 65 - 7 - QD2 LEU 64 - HE1 TYR 4 lone 2 60 - 3 - QD2 LEU 64 - HE2 TYR 4 lone 2 58 - 3 - Peak 14599 from cnoeabs.peaks (0.87, 6.43, 132.25 ppm; 5.81 A): 2 out of 10 assignments used, quality = 0.86: QD1 LEU 2 + HD1 TYR 4 OK 63 77 - 82 - 3.1/8040=13...(21) QD1 LEU 2 + HD2 TYR 4 OK 63 77 - 81 - 3.1/8040=13...(21) QD1 LEU 38 - HD1 TYR 4 lone 9 97 - 9 - 2.1/9146=2, 3.1/14698=1 QD1 LEU 38 - HD2 TYR 4 lone 9 97 - 9 - 2.1/9146=1 QD1 LEU 103 - HD1 TYR 4 lone 8 100 - 8 - 3.9/14579=1 QD1 LEU 103 - HD2 TYR 4 lone 8 100 - 8 - 3.9/14579=1 QG2 ILE 76 - HD1 TYR 4 lone 7 73 - 9 - 14598/2.5=1, 11070/9224=1 QG2 ILE 76 - HD2 TYR 4 lone 7 73 - 9 - 14598/2.5=1, 11070/9224=1 QD2 LEU 64 - HD1 TYR 4 lone 4 99 - 4 - QD2 LEU 64 - HD2 TYR 4 lone 4 99 - 4 - Peak 14600 from cnoeabs.peaks (7.64, 6.83, 131.89 ppm; 6.50 A): 2 out of 4 assignments used, quality = 0.94: H LYS 40 + HD2 TYR 41 OK 77 87 - 89 - 6644/5.3=29, 8891/3.7=25...(21) H LYS 40 + HD1 TYR 41 OK 73 83 - 88 - 6644/5.4=28, 8891/3.7=25...(20) H GLU 98 - HD2 TYR 41 lone 4 90 - 4 - H GLU 98 - HD1 TYR 41 lone 4 85 - 4 - Peak 14601 from cnoeabs.peaks (7.82, 6.83, 131.89 ppm; 4.98 A): 2 out of 8 assignments used, quality = 1.00: H TYR 41 + HD2 TYR 41 OK 98 100 - 98 - 5.3=82, 6656/3.7=29...(19) H TYR 41 + HD1 TYR 41 OK 95 98 - 97 - 5.4=78, 6656/3.7=29...(19) H SER 9 - HD2 TYR 41 OK 28 84 - 33 - 1872/4.3=8, 1883/3.7=8...(10) H SER 9 - HD1 TYR 41 OK 27 80 - 33 - 1872/4.2=8, 1883/3.7=8...(10) H ASN 26 - HD2 TYR 41 poor 8 73 - 11 - 1872/4.3=1, 1891/3.7=1...(4) H ASN 26 - HD1 TYR 41 poor 8 69 - 11 - 1872/4.2=1, 1891/3.7=1...(4) H LYS 73 - HD2 TYR 41 lone 6 70 - 8 - 1872/4.3=1, 1891/3.7=1 H LYS 73 - HD1 TYR 41 lone 6 65 - 8 - 1872/4.2=1, 1891/3.7=1 Peak 14602 from cnoeabs.peaks (3.85, 6.83, 131.89 ppm; 4.40 A): 6 out of 18 assignments used, quality = 0.94: HA LYS 40 + HD2 TYR 41 OK 60 92 - 65 - 3.6/6657=16, 4.8/1876=13...(15) HA LYS 40 + HD1 TYR 41 OK 57 88 - 65 - 3.6/6657=16, 4.8/1876=13...(17) HA LEU 38 + HD2 TYR 41 OK 32 61 - 51 - 3.8/12065=11, 8860=10...(14) HA LEU 38 + HD1 TYR 41 OK 30 58 - 52 - 3.8/12065=11, 8860=10...(14) HA ALA 67 + HD2 TYR 41 OK 12 100 - 12 - 8934/8939=2, 8901/2.5=1...(4) HA ALA 67 + HD1 TYR 41 OK 12 98 - 12 - 8934/8939=2, 8901/2.5=1...(4) HB3 SER 49 - HD2 TYR 41 lone 8 100 - 8 - HB3 SER 49 - HD1 TYR 41 lone 8 98 - 8 - HA LYS 94 - HD2 TYR 41 lone 8 90 - 9 - 6645/5.3=1 HA LYS 94 - HD1 TYR 41 lone 8 85 - 9 - 6645/5.4=1 HA ALA 71 - HD2 TYR 41 lone 8 94 - 8 - 9552/3.7=2, 8901/2.5=1 HA ALA 71 - HD1 TYR 41 lone 7 90 - 8 - 9552/3.7=2, 8901/2.5=1 HA2 GLY 100 - HD2 TYR 41 lone 7 90 - 8 - 6645/5.3=1 HA2 GLY 100 - HD1 TYR 41 lone 7 85 - 8 - 6645/5.4=1 HA LYS 12 - HD2 TYR 41 lone 5 100 - 5 - HA LYS 12 - HD1 TYR 41 lone 5 98 - 5 - HA2 GLY 101 - HD2 TYR 41 lone 4 90 - 5 - HA2 GLY 101 - HD1 TYR 41 lone 4 85 - 5 - Peak 14603 from cnoeabs.peaks (4.41, 6.83, 131.89 ppm; 6.50 A): 2 out of 16 assignments used, quality = 0.96: HA VAL 32 + HD2 TYR 41 OK 81 100 - 82 - 3.2/8939=25...(12) HA VAL 32 + HD1 TYR 41 OK 78 97 - 80 - 3.2/8939=25...(12) HA MET 74 - HD2 TYR 41 OK 26 99 - 27 - 3331/3.7=5, 8896/2.5=4...(9) HA MET 74 - HD1 TYR 41 OK 26 96 - 27 - 3331/3.7=5, 8896/2.5=3...(9) HA ALA 25 - HD2 TYR 41 OK 15 99 - 16 - 14609/2.5=2, 2.1/14615=2...(6) HA ALA 25 - HD1 TYR 41 OK 15 96 - 16 - 14609/2.5=2, 3.6/8893=2...(6) HA MET 21 - HD2 TYR 41 lone 9 100 - 9 - 14609/2.5=1, 14609/4.9=1 HA MET 21 - HD1 TYR 41 lone 9 97 - 9 - 14609/2.5=1, 14609/4.9=1 HA GLU 48 - HD2 TYR 41 poor 6 57 - 10 - ~8899=1, 3.0/14509=1 HA GLU 48 - HD1 TYR 41 poor 5 54 - 10 - ~8899=2, 3.0/14509=1 HA GLN 50 - HD2 TYR 41 lone 5 92 - 6 - HA GLN 50 - HD1 TYR 41 lone 5 88 - 6 - HA ILE 76 - HD2 TYR 41 lone 5 57 - 9 - HA HIS 106 - HD2 TYR 41 lone 5 100 - 5 - HA HIS 106 - HD1 TYR 41 lone 5 98 - 5 - HA ILE 76 - HD1 TYR 41 lone 5 54 - 9 - Peak 14605 from cnoeabs.peaks (6.49, 6.83, 131.89 ppm; 6.50 A): 0 out of 0 assignments used, low quality = 0.00: Peak 14606 from cnoeabs.peaks (6.12, 6.83, 131.89 ppm; 6.50 A): 0 out of 2 assignments used, low quality = 0.41: HZ PHE 45 - HD2 TYR 41 OK 24 61 - 39 - 8890/3.7=14, 14688=10...(6) HZ PHE 45 - HD1 TYR 41 OK 22 58 - 39 - 8890/3.7=14, 14688=10...(6) Peak 14607 from cnoeabs.peaks (7.82, 6.86, 118.20 ppm; 6.39 A): 2 out of 8 assignments used, quality = 0.98: H TYR 41 + HE1 TYR 41 OK 89 94 - 95 - 7.4=64, 6656/5.4=27...(13) H TYR 41 + HE2 TYR 41 OK 84 89 - 95 - 7.4=64, 6656/5.4=27...(13) H SER 9 - HE1 TYR 41 OK 35 98 - 36 - 6110/6.4=8, 1883/5.4=7...(8) H SER 9 - HE2 TYR 41 OK 34 94 - 36 - 6110/6.4=8, 1883/5.4=7...(8) H LYS 66 - HE1 TYR 41 OK 15 82 - 18 - 7067/5.4=3, 7061/6.4=3...(5) H LYS 66 - HE2 TYR 41 OK 13 76 - 17 - 7067/5.4=3, 7061/6.4=3...(5) H GLU 28 - HE1 TYR 41 lone 4 68 - 7 - 10508/8703=2, 4.4/14626=1 H GLU 28 - HE2 TYR 41 lone 4 62 - 6 - 10508/8703=1, 4.4/14626=1 Peak 14608 from cnoeabs.peaks (4.55, 6.86, 118.20 ppm; 6.50 A): 0 out of 2 assignments used, low quality = 0.42: HA LYS 33 - HE1 TYR 41 OK 25 85 - 29 - 3.0/8743=18...(3) HA LYS 33 - HE2 TYR 41 OK 23 79 - 29 - 3.0/8743=18...(3) Peak 14609 from cnoeabs.peaks (4.41, 6.86, 118.20 ppm; 5.44 A): 2 out of 16 assignments used, quality = 0.93: HA VAL 32 + HE1 TYR 41 OK 75 99 - 76 - 3.2/14629=17, ~8939=14...(14) HA VAL 32 + HE2 TYR 41 OK 71 95 - 75 - 3.2/14629=16, ~8939=15...(14) HA MET 74 - HE1 TYR 41 OK 18 98 - 18 - 3331/5.4=3, 14603/2.5=2...(8) HA MET 74 - HE2 TYR 41 OK 17 93 - 18 - 3331/5.4=3, 14603/2.5=2...(8) HA ALA 25 - HE1 TYR 41 OK 10 98 - 11 - 2.1/14626=2, 14603/2.5=1 HA ALA 25 - HE2 TYR 41 poor 10 93 - 10 - 2.1/14626=1, 14603/2.5=1 HA MET 21 - HE1 TYR 41 lone 8 99 - 8 - 5.3/14622=1 HA MET 21 - HE2 TYR 41 lone 7 95 - 8 - HA GLN 50 - HE1 TYR 41 lone 4 90 - 5 - HA GLU 48 - HE1 TYR 41 lone 4 56 - 7 - 3.0/8899=1 HA GLN 50 - HE2 TYR 41 lone 4 84 - 4 - HA GLU 48 - HE2 TYR 41 lone 4 51 - 7 - 3.0/8899=1 HA HIS 106 - HE1 TYR 41 lone 4 99 - 4 - HA HIS 106 - HE2 TYR 41 lone 3 96 - 4 - HA ILE 76 - HE1 TYR 41 lone 3 56 - 6 - HA ILE 76 - HE2 TYR 41 lone 3 51 - 6 - Peak 14610 from cnoeabs.peaks (3.90, 6.86, 118.20 ppm; 5.06 A): 0 out of 16 assignments used, low quality = 0.27: HA ALA 89 - HE1 TYR 41 OK 15 99 - 15 - 9935=2, 9935/4.3=2...(6) HA ALA 89 - HE2 TYR 41 OK 14 96 - 14 - 9935/4.3=2, 9935=2...(5) HA GLU 63 - HE1 TYR 41 lone 7 82 - 9 - 3.8/14621=2, 3.0/9464=2 HA GLU 35 - HE1 TYR 41 lone 7 79 - 9 - 3.0/14622=2, 8821/8820=1 HA GLU 35 - HE2 TYR 41 lone 6 73 - 8 - 3.0/14622=1, 8821/8820=1 HA ARG 91 - HE1 TYR 41 lone 6 82 - 7 - 3.6/7466=1 HA ARG 91 - HE2 TYR 41 lone 5 76 - 7 - HA GLU 63 - HE2 TYR 41 lone 5 76 - 7 - 3.8/8899=2, 2766/5.4=1 HB2 SER 85 - HE1 TYR 41 lone 4 99 - 4 - HB2 SER 85 - HE2 TYR 41 lone 4 95 - 4 - HA GLU 43 - HE1 TYR 41 lone 4 64 - 6 - 1956/5.4=2 HA GLU 43 - HE2 TYR 41 lone 4 58 - 6 - 1956/5.4=2 HA3 GLY 101 - HE1 TYR 41 lone 3 94 - 3 - HA3 GLY 101 - HE2 TYR 41 lone 3 89 - 3 - HB2 SER 102 - HE1 TYR 41 lone 2 96 - 2 - HB2 SER 102 - HE2 TYR 41 lone 2 90 - 2 - Peak 14611 from cnoeabs.peaks (2.08, 6.83, 131.89 ppm; 6.33 A): 10 out of 16 assignments used, quality = 0.94: HB3 LEU 38 + HD2 TYR 41 OK 54 87 - 62 - 3.0/8860=25...(10) HB3 LEU 38 + HD1 TYR 41 OK 52 83 - 63 - 3.0/8860=25...(10) HB3 GLU 62 + HD1 TYR 41 OK 20 97 - 21 - 14622/2.5=4, ~14621=4...(7) HB3 GLU 62 + HD2 TYR 41 OK 20 99 - 20 - 14622/2.5=4, ~14621=3...(7) HB3 GLU 35 + HD1 TYR 41 OK 15 97 - 15 - ~14610=2, 14622/2.5=2...(5) HB3 GLU 35 + HD2 TYR 41 OK 15 99 - 15 - ~14610=2, 14622/2.5=2...(5) HB3 GLU 88 + HD1 TYR 41 OK 13 94 - 14 - 12225/2.5=3, ~9922=2...(4) HB3 GLU 88 + HD2 TYR 41 OK 13 97 - 13 - 12225/2.5=3, 12225/4.9=2...(4) HB2 GLU 23 + HD1 TYR 41 OK 10 98 - 10 - ~14621=2, 14622/2.5=2 HB2 GLU 23 + HD2 TYR 41 OK 10 100 - 10 - ~14621=2, 14622/2.5=2 QE MET 21 - HD2 TYR 41 poor 9 81 - 11 - 14622/2.5=2, 14622/4.9=1...(4) HB2 GLU 16 - HD2 TYR 41 lone 9 94 - 9 - ~8899=1, 14622/2.5=1 HB2 GLU 16 - HD1 TYR 41 lone 9 90 - 9 - 14622/2.5=1, ~8899=1 QE MET 21 - HD1 TYR 41 poor 9 76 - 11 - 14622/2.5=2...(4) HG3 GLU 104 - HD2 TYR 41 lone 6 84 - 7 - 8880/5.3=1, 14622/2.5=1 HG3 GLU 104 - HD1 TYR 41 lone 5 80 - 7 - 14622/2.5=1, 8880/5.4=1 Peak 14612 from cnoeabs.peaks (1.98, 6.83, 131.89 ppm; 5.39 A): 2 out of 16 assignments used, quality = 0.90: HB2 GLU 37 + HD2 TYR 41 OK 70 100 - 71 - 3.0/8807=17, 8809/2.5=14...(15) HB2 GLU 37 + HD1 TYR 41 OK 67 98 - 69 - 3.0/8807=17, 8809/2.5=13...(14) HB2 LYS 47 - HD2 TYR 41 OK 16 92 - 17 - 2133/4.3=6, 8881/5.3=2...(6) HB3 MET 74 - HD2 TYR 41 OK 16 73 - 21 - 3347/3.7=3, 2.9/14510=3...(10) HB2 LYS 47 - HD1 TYR 41 OK 15 88 - 17 - 2133/4.2=6, 8881/5.4=2...(6) HB3 MET 74 - HD1 TYR 41 OK 15 69 - 22 - 3347/3.7=3, 2.9/14510=3...(10) HB2 ARG 46 - HD2 TYR 41 lone 8 99 - 8 - 8881/5.3=1, 2066/8860=1 HB2 ARG 46 - HD1 TYR 41 lone 8 97 - 8 - 8881/5.4=1, 2066/8860=1 QE MET 1 - HD2 TYR 41 lone 7 100 - 7 - 8881/5.3=1 QE MET 1 - HD1 TYR 41 lone 7 98 - 7 - 8881/5.4=1 HB2 LYS 24 - HD2 TYR 41 lone 6 73 - 8 - HB3 LYS 24 - HD2 TYR 41 lone 6 73 - 8 - HB3 LYS 24 - HD1 TYR 41 lone 5 69 - 8 - HB2 LYS 24 - HD1 TYR 41 lone 5 69 - 8 - HB3 ARG 46 - HD2 TYR 41 lone 3 61 - 5 - HB3 ARG 46 - HD1 TYR 41 lone 3 58 - 5 - Peak 14613 from cnoeabs.peaks (1.64, 6.83, 131.89 ppm; 6.50 A): 4 out of 22 assignments used, quality = 0.98: HB2 LYS 40 + HD2 TYR 41 OK 76 92 - 83 - 2.9/8865=24, 1793/5.3=23...(16) HB2 LYS 40 + HD1 TYR 41 OK 73 88 - 83 - 2.9/8865=24, 1.8/8864=23...(16) HB3 LEU 6 + HD2 TYR 41 OK 48 87 - 55 - 3.1/8210=25, 3.1/8207=24...(6) HB3 LEU 6 + HD1 TYR 41 OK 46 83 - 55 - 3.1/8210=25, 3.1/8207=24...(6) HD3 LYS 39 - HD2 TYR 41 OK 20 99 - 20 - 6646/5.3=6, 3.0/14615=2...(7) HD3 LYS 39 - HD1 TYR 41 OK 19 96 - 20 - 6646/5.4=6, 3.0/14615=2...(7) HG2 LYS 68 - HD2 TYR 41 OK 17 98 - 17 - 6646/5.3=3...(7) HG3 LYS 47 - HD2 TYR 41 OK 16 81 - 20 - 10615/4.3=7, 3.0/14612=3...(6) HG2 LYS 68 - HD1 TYR 41 OK 16 95 - 17 - 6646/5.4=3...(6) HG3 LYS 47 - HD1 TYR 41 OK 15 76 - 20 - 10615/4.2=7, 3.0/14612=3...(6) HD2 LYS 39 - HD2 TYR 41 OK 13 65 - 19 - 6646/5.3=5, 3.0/14615=2...(6) HD2 LYS 94 - HD2 TYR 41 OK 12 87 - 14 - 3.0/14615=1, ~14626=1...(6) HD2 LYS 94 - HD1 TYR 41 OK 12 83 - 15 - ~14626=1, 3.5/8903=1...(6) HD2 LYS 39 - HD1 TYR 41 OK 12 61 - 19 - 6646/5.4=5, 3.0/14615=2...(5) HB ILE 76 - HD2 TYR 41 OK 12 96 - 12 - 6646/5.3=2 HB ILE 76 - HD1 TYR 41 OK 11 92 - 12 - 6646/5.4=2 HD3 LYS 68 - HD2 TYR 41 OK 11 77 - 14 - 6646/5.3=3, 3.0/14615=1 HD2 LYS 68 - HD2 TYR 41 OK 10 73 - 14 - 6646/5.3=3, 3.0/14615=1 HD3 LYS 68 - HD1 TYR 41 OK 10 73 - 14 - 6646/5.4=3, 3.0/14615=1...(4) HD2 LYS 68 - HD1 TYR 41 poor 10 69 - 14 - 6646/5.4=3, 3.0/14615=1...(4) HB3 ARG 79 - HD1 TYR 41 poor 7 61 - 11 - ~8906=1, 228/8210=1...(4) HB3 ARG 79 - HD2 TYR 41 poor 7 65 - 10 - ~8906=1, 228/8210=1...(4) Peak 14614 from cnoeabs.peaks (1.45, 6.83, 131.89 ppm; 6.50 A): 8 out of 34 assignments used, quality = 1.00: HB2 LEU 38 + HD2 TYR 41 OK 62 96 - 65 - 3.0/8860=25...(12) HB2 LEU 38 + HD1 TYR 41 OK 60 92 - 66 - 3.0/8860=25...(12) HG LEU 38 + HD2 TYR 41 OK 56 87 - 65 - 2.1/12065=24...(12) HD2 LYS 40 + HD2 TYR 41 OK 56 70 - 80 - 3.0/8865=24, 3.0/8959=21...(22) HG LEU 38 + HD1 TYR 41 OK 54 83 - 65 - 2.1/12065=24...(12) HD2 LYS 40 + HD1 TYR 41 OK 52 65 - 80 - 3.0/8865=24, 3.0/8959=21...(22) HD3 LYS 40 + HD2 TYR 41 OK 52 65 - 79 - 3.0/8865=24, 3.0/8959=21...(21) HD3 LYS 40 + HD1 TYR 41 OK 48 61 - 78 - 3.0/8865=24, 3.0/8959=21...(21) HG3 LYS 39 - HD2 TYR 41 OK 23 98 - 24 - 10574/3.7=7...(6) HG3 LYS 39 - HD1 TYR 41 OK 22 95 - 23 - 10574/3.7=7...(6) HG13 ILE 52 - HD2 TYR 41 OK 20 92 - 21 - 2.1/14618=4, ~8911=3...(5) HG13 ILE 52 - HD1 TYR 41 OK 19 88 - 22 - 2.1/14618=4, ~8911=3...(5) HB2 LEU 27 - HD2 TYR 41 OK 12 92 - 13 - 10482/8865=2...(3) HB2 LEU 27 - HD1 TYR 41 OK 11 88 - 13 - 10482/8865=2, ~14626=1 HG3 ARG 91 - HD1 TYR 41 OK 11 96 - 11 - 4060/8709=1, ~14625=1 HG3 ARG 91 - HD2 TYR 41 OK 11 99 - 11 - 4060/8709=1, ~14625=1 QB ALA 22 - HD2 TYR 41 lone 9 87 - 10 - 8587/5.3=5 HD2 LYS 82 - HD2 TYR 41 lone 8 87 - 9 - 10940/12065=1, 3.5/14615=1 QB ALA 22 - HD1 TYR 41 lone 8 83 - 10 - 8587/5.4=5 HG2 LYS 12 - HD2 TYR 41 lone 8 100 - 8 - HD2 LYS 82 - HD1 TYR 41 lone 8 83 - 9 - 10940/12065=1, 3.5/14615=1 HG LEU 29 - HD2 TYR 41 lone 8 87 - 9 - 3.0/14616=3, 1289/8865=1 HG2 LYS 12 - HD1 TYR 41 lone 8 98 - 8 - HG2 LYS 20 - HD2 TYR 41 lone 7 92 - 8 - 6650/5.3=1 HG LEU 29 - HD1 TYR 41 lone 7 83 - 9 - 3.0/14616=3, 1289/8865=1 HG13 ILE 76 - HD2 TYR 41 lone 7 90 - 8 - HG2 LYS 20 - HD1 TYR 41 lone 7 88 - 8 - 6650/5.4=1 HG13 ILE 76 - HD1 TYR 41 lone 7 85 - 8 - HD2 LYS 53 - HD2 TYR 41 lone 6 87 - 7 - HD2 LYS 53 - HD1 TYR 41 lone 6 83 - 7 - HG2 LYS 53 - HD2 TYR 41 lone 5 73 - 7 - HG2 LYS 53 - HD1 TYR 41 lone 5 69 - 7 - HG2 LYS 13 - HD2 TYR 41 lone 3 70 - 5 - HG2 LYS 13 - HD1 TYR 41 lone 3 65 - 5 - Peak 14615 from cnoeabs.peaks (1.34, 6.83, 131.89 ppm; 6.50 A): 5 out of 22 assignments used, quality = 0.92: HG3 LYS 40 + HD2 TYR 41 OK 56 70 - 81 - 1.8/8865=25, 2.9/8864=21...(19) HG3 LYS 40 + HD1 TYR 41 OK 53 65 - 81 - 1.8/8865=25, 2.9/8864=21...(19) HG2 LYS 39 + HD2 TYR 41 OK 28 100 - 29 - 10572/3.7=7, 6649/5.3=4...(8) HG2 LYS 39 + HD1 TYR 41 OK 28 97 - 29 - 10572/3.7=7, 6649/5.4=4...(8) QB ALA 89 + HD1 TYR 41 OK 22 97 - 22 - ~14610=6, ~9935=3...(6) HG LEU 14 - HD2 TYR 41 OK 21 96 - 22 - ~8911=3, 6649/5.3=2...(10) QB ALA 89 - HD2 TYR 41 OK 21 100 - 21 - ~14610=6, ~8895=3...(6) HG LEU 14 - HD1 TYR 41 OK 20 92 - 22 - ~8911=3, 6649/5.4=2...(10) QB ALA 25 - HD2 TYR 41 OK 19 100 - 18 - 2.1/14603=2, 14626/2.5=2...(8) QB ALA 25 - HD1 TYR 41 OK 18 97 - 19 - 14626/2.5=2, 2.1/14603=2...(8) HG3 LYS 68 - HD2 TYR 41 OK 18 97 - 19 - 6649/5.3=3, 10572/3.7=2...(7) QB ALA 67 - HD2 TYR 41 OK 18 99 - 18 - 10336/8939=3, ~8901=2...(6) HG3 LYS 68 - HD1 TYR 41 OK 17 94 - 19 - 6649/5.4=3, 10572/3.7=2...(6) QB ALA 67 - HD1 TYR 41 OK 17 96 - 18 - 10336/8939=3...(6) HG2 LYS 94 - HD1 TYR 41 OK 17 97 - 18 - 14626/2.5=2, 2.9/8903=1...(8) HG2 LYS 94 - HD2 TYR 41 OK 17 100 - 17 - 14626/2.5=2, 14626/4.9=2...(8) HB2 LYS 82 - HD2 TYR 41 OK 14 100 - 14 - 9756/12065=3...(3) HB2 LYS 82 - HD1 TYR 41 OK 14 98 - 14 - 9756/12065=3...(3) HB3 LEU 27 - HD2 TYR 41 OK 13 100 - 13 - 14626/2.5=1, 14626/4.9=1 HB3 LEU 27 - HD1 TYR 41 OK 13 98 - 13 - 14626/2.5=1, 6649/5.4=1 HB3 LEU 2 - HD2 TYR 41 lone 9 94 - 9 - 14626/2.5=1 HB3 LEU 2 - HD1 TYR 41 lone 9 90 - 10 - 14626/2.5=1 Peak 14616 from cnoeabs.peaks (1.15, 6.83, 131.89 ppm; 6.50 A): 2 out of 10 assignments used, quality = 0.98: HG2 LYS 40 + HD2 TYR 41 OK 88 99 - 90 - 8865=24, 1.8/8959=24...(19) HG2 LYS 40 + HD1 TYR 41 OK 86 96 - 89 - 8865=24, 1.8/8959=23...(19) HB3 LEU 3 - HD2 TYR 41 OK 23 100 - 23 - 6648/5.3=7, 10585/4.3=7...(5) HB3 LEU 3 - HD1 TYR 41 OK 22 97 - 23 - 6648/5.4=7, 10585/4.2=7...(5) HB2 LEU 29 - HD2 TYR 41 OK 20 97 - 21 - 6648/5.3=6, 10585/4.3=5...(6) HB2 LEU 29 - HD1 TYR 41 OK 20 94 - 21 - 6648/5.4=6, 10585/4.2=5...(6) QG2 THR 31 - HD2 TYR 41 poor 9 87 - 11 - 10515/5.3=3, 8943/8939=2 QG2 THR 31 - HD1 TYR 41 poor 9 83 - 11 - 10515/5.4=3, 8943/8939=2 HG3 LYS 82 - HD2 TYR 41 lone 6 77 - 7 - 2.9/14615=1 HG3 LYS 82 - HD1 TYR 41 lone 5 73 - 7 - 2.9/14615=1, ~14626=1 Peak 14617 from cnoeabs.peaks (0.81, 6.83, 131.89 ppm; 4.15 A): 4 out of 22 assignments used, quality = 0.86: QG2 VAL 32 + HD2 TYR 41 OK 44 73 - 61 - 2.1/8939=20, 10152=10...(13) QG2 VAL 32 + HD1 TYR 41 OK 42 69 - 61 - 2.1/8939=19, 10152=10...(13) QD2 LEU 38 + HD2 TYR 41 OK 35 97 - 36 - 2.1/12065=13...(9) QD2 LEU 38 + HD1 TYR 41 OK 34 94 - 36 - 2.1/12065=13...(9) QD1 LEU 57 - HD2 TYR 41 poor 9 87 - 11 - 9342/2.5=4, 9342/4.9=3, ~8907=1 QD1 LEU 57 - HD1 TYR 41 poor 9 83 - 11 - 9342/2.5=5, 9342/4.9=3, ~8907=1 QD1 LEU 70 - HD1 TYR 41 lone 7 98 - 7 - 3158/6670=1 QD1 LEU 70 - HD2 TYR 41 lone 7 100 - 7 - 3158/6670=1 QD2 LEU 57 - HD2 TYR 41 poor 6 57 - 10 - ~9342=4, ~8910=2...(4) QD2 LEU 70 - HD2 TYR 41 lone 6 96 - 6 - 3166/6670=2 QD2 LEU 70 - HD1 TYR 41 lone 6 92 - 6 - 3166/6670=2 QD2 LEU 57 - HD1 TYR 41 poor 6 54 - 11 - ~9342=4, ~14627=2...(4) QG2 ILE 7 - HD2 TYR 41 lone 6 70 - 8 - 8265/4.3=3, 3.2/14619=1, ~8909=1 QG2 ILE 7 - HD1 TYR 41 lone 5 65 - 8 - 8265/4.2=3, 3.2/14619=1...(4) QD2 LEU 103 - HD2 TYR 41 lone 5 90 - 5 - 1663/12065=1, 1620/8860=1 QD2 LEU 103 - HD1 TYR 41 lone 5 85 - 6 - 1663/12065=1, 1620/8860=1 QD2 LEU 2 - HD1 TYR 41 lone 4 94 - 4 - QD2 LEU 2 - HD2 TYR 41 lone 4 97 - 4 - QD1 ILE 76 - HD2 TYR 41 lone 3 77 - 4 - QD1 ILE 76 - HD1 TYR 41 lone 3 73 - 4 - QG2 ILE 15 - HD2 TYR 41 lone 2 98 - 2 - QG2 ILE 15 - HD1 TYR 41 lone 2 95 - 3 - Peak 14618 from cnoeabs.peaks (0.69, 6.83, 131.89 ppm; 4.68 A): 3 out of 16 assignments used, quality = 0.96: QD2 LEU 6 + HD2 TYR 41 OK 74 98 - 75 - 8229/3.7=23, 8207=23...(14) QD2 LEU 6 + HD1 TYR 41 OK 72 95 - 75 - 8207=23, 8229/3.7=23...(14) QD1 LEU 42 + HD2 TYR 41 OK 43 99 - 43 - 4.7/6670=11, 10594/3.7=9...(11) QD1 LEU 42 - HD1 TYR 41 OK 42 97 - 44 - 4.7/6670=12, 10594/3.7=9...(11) QD1 ILE 52 - HD2 TYR 41 OK 28 100 - 28 - 9176/3.7=7, 8877/3.7=6...(8) QD1 ILE 52 - HD1 TYR 41 OK 28 98 - 28 - 9176/3.7=7, 8877/3.7=6...(8) QD1 LEU 14 - HD2 TYR 41 OK 15 77 - 20 - 10409/4.3=4, 8874/3.7=2...(5) QD1 LEU 14 - HD1 TYR 41 OK 15 73 - 20 - 10409/4.2=4, 8874/3.7=2...(5) QD2 LEU 14 - HD2 TYR 41 OK 12 73 - 16 - 8870/5.3=3, 8911/2.5=2...(6) QD2 LEU 14 - HD1 TYR 41 OK 12 69 - 17 - 8870/5.4=3, 8911/2.5=2...(7) QD1 ILE 8 - HD2 TYR 41 poor 9 70 - 12 - 8870/5.3=3, 8874/3.7=2...(4) QD1 ILE 8 - HD1 TYR 41 poor 8 65 - 12 - 8870/5.4=3, 8874/3.7=2...(4) QG2 VAL 58 - HD2 TYR 41 lone 7 70 - 10 - 10227/4.3=3, 8874/3.7=1 QG2 VAL 58 - HD1 TYR 41 lone 7 65 - 10 - 10227/4.2=3, 8874/3.7=1 QD1 ILE 56 - HD2 TYR 41 lone 5 77 - 7 - 8870/5.3=1 QD1 ILE 56 - HD1 TYR 41 lone 5 73 - 7 - 8870/5.4=1 Peak 14619 from cnoeabs.peaks (0.91, 6.83, 131.89 ppm; 4.87 A): 2 out of 4 assignments used, quality = 0.96: QG1 VAL 32 + HD2 TYR 41 OK 81 99 - 82 - 8939=25, 2.1/10152=17...(22) QG1 VAL 32 + HD1 TYR 41 OK 78 96 - 81 - 8939=24, 2.1/10152=18...(21) HG13 ILE 7 - HD2 TYR 41 poor 9 61 - 14 - 8909/2.5=3, 8257/4.3=3...(4) HG13 ILE 7 - HD1 TYR 41 poor 8 58 - 14 - 14629/2.5=3, 8257/4.2=3...(5) Peak 14620 from cnoeabs.peaks (2.64, 6.86, 118.20 ppm; 5.35 A): 2 out of 10 assignments used, quality = 1.00: HB3 TYR 41 + HE1 TYR 41 OK 96 98 - 99 - 5.4=95, 3.7/14513=21...(13) HB3 TYR 41 + HE2 TYR 41 OK 92 93 - 99 - 5.4=95, 3.7/14513=20...(13) HB3 ASP 65 - HE1 TYR 41 OK 15 99 - 14 - 1875/6.4=2, 5510/2.5=2...(6) HG3 MET 74 - HE1 TYR 41 OK 14 56 - 26 - 1886/5.4=5, 1875/6.4=4...(9) HB3 ASP 65 - HE2 TYR 41 OK 14 95 - 14 - 1875/6.4=2, 4.6/8894=2...(6) HG3 MET 74 - HE2 TYR 41 OK 13 51 - 25 - 1886/5.4=5, 1875/6.4=4...(9) HB3 ASP 77 - HE1 TYR 41 OK 13 94 - 13 - 5510/2.5=2, 1886/5.4=2...(6) HB3 ASP 77 - HE2 TYR 41 OK 12 89 - 13 - 14510/2.5=2, 1886/5.4=2...(5) HD3 ARG 91 - HE1 TYR 41 lone 3 60 - 5 - 4.8/14610=2, 3.5/14625=1 HD3 ARG 91 - HE2 TYR 41 lone 2 55 - 5 - 4.8/14610=2 Peak 14621 from cnoeabs.peaks (2.28, 6.86, 118.20 ppm; 6.41 A): 0 out of 12 assignments used, low quality = 0.41: HG2 GLU 62 - HE1 TYR 41 OK 13 75 - 18 - 2.9/14622=4, ~14611=2...(5) HG3 GLU 62 - HE1 TYR 41 OK 13 75 - 18 - 2.9/14622=4, ~14611=2...(5) HG3 GLU 62 - HE2 TYR 41 OK 12 70 - 17 - 2.9/14622=4, ~14611=2...(5) HG2 GLU 62 - HE2 TYR 41 OK 12 70 - 17 - 2.9/14622=4, ~14611=2...(5) HG2 GLU 63 - HE1 TYR 41 poor 9 68 - 13 - 3.8/14610=3, 3.0/9464=2...(4) HG2 GLU 23 - HE1 TYR 41 lone 7 94 - 7 - 2.9/14622=2, ~14611=1 HG2 GLU 23 - HE2 TYR 41 lone 6 89 - 7 - 2.9/14622=2, ~14611=1 HG2 GLU 63 - HE2 TYR 41 lone 6 62 - 9 - 3.8/14610=2, 2787/6.4=2 HG2 GLU 95 - HE1 TYR 41 lone 4 96 - 5 - HG2 GLU 95 - HE2 TYR 41 lone 4 90 - 5 - HB2 TYR 4 - HE1 TYR 41 lone 3 82 - 3 - HB2 TYR 4 - HE2 TYR 41 lone 3 76 - 3 - Peak 14622 from cnoeabs.peaks (2.09, 6.86, 118.20 ppm; 5.24 A): 5 out of 18 assignments used, quality = 0.68: HB3 LEU 38 + HE1 TYR 41 OK 30 68 - 45 - ~8860=14, ~12065=12...(10) HB3 LEU 38 + HE2 TYR 41 OK 28 62 - 45 - ~8860=14, ~12065=11...(10) HB3 GLU 62 + HE1 TYR 41 OK 16 99 - 16 - 2.9/14621=4, 2.9/14621=4...(7) HB3 GLU 62 + HE2 TYR 41 OK 14 96 - 15 - 2.9/14621=3, 2.9/14621=3...(6) HB3 GLU 88 + HE1 TYR 41 OK 11 85 - 13 - 3.0/9922=2, 12225=2...(6) HB3 GLU 88 - HE2 TYR 41 poor 10 79 - 13 - 3.0/9922=2, 12225/4.3=2...(5) HB3 GLU 35 - HE1 TYR 41 lone 9 92 - 9 - 3.0/14610=3, 14611/2.5=1...(4) HB3 GLU 35 - HE2 TYR 41 lone 8 87 - 9 - 3.0/14610=2, 14611/2.5=1 QE MET 21 - HE1 TYR 41 lone 8 92 - 8 - HB2 GLU 23 - HE1 TYR 41 lone 7 99 - 7 - 2.9/14621=2 QE MET 21 - HE2 TYR 41 lone 7 87 - 8 - HB2 GLU 23 - HE2 TYR 41 lone 7 95 - 7 - 2.9/14621=2 HB2 GLU 16 - HE1 TYR 41 lone 4 79 - 5 - 3.0/8899=1 HG3 GLU 104 - HE1 TYR 41 lone 4 94 - 4 - HB2 GLU 16 - HE2 TYR 41 lone 4 73 - 5 - 3.0/8899=1 HG3 GLU 104 - HE2 TYR 41 lone 4 89 - 4 - HB3 PRO 86 - HE1 TYR 41 lone 4 75 - 5 - HB3 PRO 86 - HE2 TYR 41 lone 3 70 - 5 - Peak 14623 from cnoeabs.peaks (1.97, 6.86, 118.20 ppm; 6.40 A): 3 out of 20 assignments used, quality = 0.94: HB2 GLU 37 + HE1 TYR 41 OK 73 94 - 77 - 3.0/8815=20, ~8807=16...(15) HB2 GLU 37 + HE2 TYR 41 OK 69 89 - 78 - 3.0/8815=21, ~8807=16...(16) HB3 MET 74 + HE1 TYR 41 OK 25 96 - 26 - 3347/5.4=5, 3.0/8896=3...(9) HB3 MET 74 - HE2 TYR 41 OK 23 90 - 26 - 3347/5.4=5, 3.0/8896=3...(9) HB2 LYS 47 - HE1 TYR 41 OK 18 99 - 18 - 2133/6.4=6, 14612/2.5=2...(5) HB2 LYS 47 - HE2 TYR 41 OK 17 96 - 18 - 2133/6.4=6, 14612/2.5=2...(5) HB2 LYS 24 - HE1 TYR 41 lone 9 96 - 10 - 2.9/8907=1, 2.9/14624=1 HB3 LYS 24 - HE1 TYR 41 lone 9 96 - 10 - 2.9/8907=1, 2.9/14624=1 HB2 LYS 24 - HE2 TYR 41 lone 9 90 - 10 - 2.9/8907=1, 2.9/14624=1 HB3 LYS 24 - HE2 TYR 41 lone 9 90 - 10 - 2.9/8907=1, 2.9/14624=1 HB2 ARG 46 - HE1 TYR 41 lone 8 98 - 8 - 14612/2.5=1 HB2 ARG 46 - HE2 TYR 41 lone 8 93 - 8 - 14612/2.5=1 QE MET 1 - HE1 TYR 41 lone 7 96 - 8 - 14612/2.5=1 QE MET 1 - HE2 TYR 41 lone 7 90 - 7 - 14612/2.5=1 HB2 LYS 73 - HE1 TYR 41 lone 6 85 - 7 - 2.9/14625=1 HB3 LYS 73 - HE1 TYR 41 lone 6 82 - 7 - 2.9/14625=1 HB2 LYS 73 - HE2 TYR 41 lone 5 79 - 7 - 2.9/8907=1 HB3 ARG 46 - HE1 TYR 41 lone 5 90 - 6 - ~14612=1 HB3 LYS 73 - HE2 TYR 41 lone 5 76 - 7 - 2.9/8907=1 HB3 ARG 46 - HE2 TYR 41 lone 5 84 - 6 - ~14612=1 Peak 14624 from cnoeabs.peaks (1.59, 6.86, 118.20 ppm; 5.57 A): 2 out of 26 assignments used, quality = 0.75: HB2 ARG 30 + HE1 TYR 41 OK 53 82 - 65 - 2.9/8703=17, ~8700=11...(13) HB2 ARG 30 + HE2 TYR 41 OK 47 76 - 62 - 2.9/8703=16, 8697=9...(13) HD3 LYS 94 - HE1 TYR 41 lone 9 94 - 9 - 3.0/14626=1, ~8903=1 HD3 LYS 94 - HE2 TYR 41 lone 8 89 - 9 - 3.0/14626=1 HD2 LYS 66 - HE1 TYR 41 lone 8 88 - 9 - 6.1/8894=2, 2.9/8907=1 HB2 ARG 79 - HE1 TYR 41 lone 7 90 - 8 - 3.8/8897=1, 3.8/8897=1 HG2 LYS 24 - HE1 TYR 41 lone 7 98 - 7 - 1.8/8907=1 HD2 LYS 66 - HE2 TYR 41 lone 7 82 - 8 - 6.1/8894=2, 2.9/8907=1 HB2 ARG 79 - HE2 TYR 41 lone 7 84 - 8 - 3.8/8897=1, 3.8/8897=1 HG2 LYS 24 - HE2 TYR 41 lone 7 94 - 7 - 1.8/8907=1 HB2 LEU 103 - HE1 TYR 41 lone 7 98 - 7 - 8945/14629=1 HG LEU 103 - HE1 TYR 41 lone 6 94 - 7 - 8945/14629=1 HB2 LEU 103 - HE2 TYR 41 lone 6 93 - 7 - 8945/14629=1 HG LEU 27 - HE1 TYR 41 lone 6 94 - 6 - 3.0/14626=1 HG LEU 103 - HE2 TYR 41 lone 6 89 - 6 - 8945/14629=1 HB3 LEU 29 - HE1 TYR 41 lone 6 97 - 6 - ~14616=2 HG3 LYS 73 - HE1 TYR 41 lone 5 94 - 6 - 1.8/8907=1 HG LEU 27 - HE2 TYR 41 lone 5 89 - 6 - HB3 LEU 29 - HE2 TYR 41 lone 5 92 - 6 - ~14616=2 HG3 LYS 73 - HE2 TYR 41 lone 5 89 - 6 - 1.8/8907=1 HG3 LYS 12 - HE1 TYR 41 lone 4 98 - 4 - HG3 LYS 12 - HE2 TYR 41 lone 4 94 - 4 - HG3 LYS 90 - HE1 TYR 41 lone 4 97 - 4 - 3961/8703=1 HG3 LYS 90 - HE2 TYR 41 lone 4 92 - 4 - 3961/8703=1 HG2 ARG 19 - HE1 TYR 41 lone 3 98 - 3 - HG2 ARG 19 - HE2 TYR 41 lone 3 93 - 3 - Peak 14625 from cnoeabs.peaks (1.48, 6.86, 118.20 ppm; 6.42 A): 6 out of 22 assignments used, quality = 0.81: HD3 LYS 40 + HE1 TYR 41 OK 45 60 - 75 - ~8865=18, ~8959=15...(20) HD3 LYS 40 + HE2 TYR 41 OK 41 55 - 75 - ~8865=18, ~8959=15...(21) HG2 LYS 47 + HE1 TYR 41 OK 14 96 - 15 - 10616/6.4=5, 3.0/14623=2...(5) HG2 LYS 47 + HE2 TYR 41 OK 13 90 - 15 - 10616/6.4=5, 3.0/8905=2...(5) HG LEU 57 + HE1 TYR 41 OK 11 68 - 16 - 2.1/9342=9, ~14617=2, ~8878=1 HB2 ARG 91 + HE1 TYR 41 OK 10 99 - 10 - 3.0/14610=3, 4.3/7466=1 HG LEU 57 - HE2 TYR 41 poor 10 62 - 15 - 2.1/9342=9, ~14617=2, ~8878=1 HB2 ARG 91 - HE2 TYR 41 lone 9 95 - 10 - 3.0/14610=3 HG2 LYS 66 - HE1 TYR 41 lone 9 96 - 9 - 4.8/8894=3, 2.9/14624=1 HB3 LEU 64 - HE1 TYR 41 lone 8 97 - 9 - 1.8/8904=1 HG3 LYS 66 - HE1 TYR 41 lone 8 92 - 9 - 4.8/8894=3, 2.9/14624=1 HG2 LYS 73 - HE1 TYR 41 lone 8 94 - 9 - 10616/6.4=2, 1.8/14624=1 HG2 LYS 66 - HE2 TYR 41 lone 8 90 - 9 - 4.8/8894=3, 2.9/8906=1 HB3 LEU 64 - HE2 TYR 41 lone 8 92 - 8 - 1.8/8904=1 HG2 LYS 73 - HE2 TYR 41 lone 8 89 - 8 - 10616/6.4=2, 1.8/14624=1 HG3 LYS 66 - HE2 TYR 41 lone 8 87 - 9 - 4.8/8894=3, 2.9/8906=1 HG LEU 64 - HE1 TYR 41 lone 7 98 - 7 - 3.0/8904=1 HG LEU 64 - HE2 TYR 41 lone 6 94 - 7 - 3.0/8904=1 HG3 LYS 13 - HE1 TYR 41 lone 4 82 - 5 - HG3 LYS 13 - HE2 TYR 41 lone 4 76 - 5 - HG3 LYS 53 - HE1 TYR 41 lone 4 71 - 5 - HG3 LYS 53 - HE2 TYR 41 lone 3 66 - 5 - Peak 14626 from cnoeabs.peaks (1.34, 6.86, 118.20 ppm; 6.50 A): 15 out of 20 assignments used, quality = 0.92: QB ALA 89 + HE1 TYR 41 OK 20 99 - 20 - 2.1/14610=8, 2.9/9934=2...(6) HG2 LYS 39 + HE1 TYR 41 OK 19 94 - 20 - 10572/5.4=5, 14615/2.5=2...(7) QB ALA 89 + HE2 TYR 41 OK 18 95 - 19 - 2.1/14610=7, 14615/2.5=2...(6) HG2 LYS 39 + HE2 TYR 41 OK 17 89 - 20 - 10572/5.4=5, 14615/2.5=2...(7) QB ALA 67 + HE1 TYR 41 OK 17 99 - 17 - 2.1/8901=3...(6) HG LEU 14 + HE1 TYR 41 OK 16 82 - 20 - 2.1/8911=3, 2.1/14628=2...(8) QB ALA 67 + HE2 TYR 41 OK 16 96 - 17 - 2.1/8901=3...(6) QB ALA 25 + HE1 TYR 41 OK 15 99 - 15 - 2.1/14609=2, ~14603=2...(5) HG2 LYS 94 + HE1 TYR 41 OK 15 99 - 15 - 3.0/14624=2, ~8903=1...(5) HG LEU 14 + HE2 TYR 41 OK 14 76 - 19 - 2.1/8911=3, 2.1/14628=2...(8) QB ALA 25 + HE2 TYR 41 OK 14 95 - 15 - 2.1/14609=2, ~14603=2...(5) HG2 LYS 94 + HE2 TYR 41 OK 13 95 - 14 - 3.0/14624=1, 14615/2.5=1...(5) HG3 LYS 68 + HE1 TYR 41 OK 11 85 - 13 - 10572/5.4=2, 14615/2.5=1...(5) HB2 LYS 82 + HE1 TYR 41 OK 11 97 - 11 - 12220/9777=1, 14615/2.5=1 HB3 LEU 27 + HE1 TYR 41 OK 10 96 - 11 - 14615/2.5=1, 3.0/14624=1 HG3 LYS 68 - HE2 TYR 41 poor 10 79 - 13 - 10572/5.4=2, 14615/2.5=2...(5) HB2 LYS 82 - HE2 TYR 41 poor 10 92 - 11 - 12220/9777=1, 14615/2.5=1 HB3 LEU 27 - HE2 TYR 41 poor 10 90 - 11 - 14615/2.5=1 HB3 LEU 2 - HE1 TYR 41 lone 9 98 - 9 - 3.0/8907=1 HB3 LEU 2 - HE2 TYR 41 lone 8 94 - 9 - 3.0/8907=1 Peak 14627 from cnoeabs.peaks (0.83, 6.86, 118.20 ppm; 4.05 A): 6 out of 14 assignments used, quality = 0.93: QG2 VAL 32 + HE1 TYR 41 OK 60 99 - 61 - 10152/2.5=17...(12) QG2 VAL 32 + HE2 TYR 41 OK 56 95 - 59 - 10152/2.5=16...(11) QD2 LEU 38 + HE1 TYR 41 OK 22 97 - 23 - ~12065=8, 3.1/14622=3...(6) QD2 LEU 38 + HE2 TYR 41 OK 21 92 - 22 - ~12065=8, 3.1/14622=3...(6) QD1 LEU 57 + HE1 TYR 41 OK 19 99 - 19 - 9342=9, 9342/4.3=4, 2.1/8907=2 QD1 LEU 57 + HE2 TYR 41 OK 18 96 - 18 - 9342=8, 9342/4.3=4, 2.1/8907=1 QD2 LEU 103 - HE1 TYR 41 lone 4 99 - 4 - QD2 LEU 103 - HE2 TYR 41 lone 4 95 - 4 - QD1 LEU 70 - HE1 TYR 41 lone 4 82 - 5 - QD1 LEU 70 - HE2 TYR 41 lone 3 76 - 5 - QD2 LEU 2 - HE1 TYR 41 lone 2 56 - 3 - QD2 LEU 2 - HE2 TYR 41 lone 2 51 - 3 - QG2 ILE 15 - HE1 TYR 41 lone 1 60 - 2 - QG2 ILE 15 - HE2 TYR 41 lone 1 55 - 2 - Peak 14628 from cnoeabs.peaks (0.69, 6.86, 118.20 ppm; 5.18 A): 4 out of 16 assignments used, quality = 0.94: QD2 LEU 6 + HE1 TYR 41 OK 67 98 - 68 - 8207/2.5=24, 8229/5.4=20...(12) QD2 LEU 6 + HE2 TYR 41 OK 64 94 - 68 - 8207/2.5=23, 8229/5.4=20...(11) QD1 LEU 42 + HE1 TYR 41 OK 32 99 - 32 - 10594/5.4=8, 8874/5.4=6...(8) QD1 LEU 42 + HE2 TYR 41 OK 30 95 - 32 - 10594/5.4=8, 8874/5.4=6...(8) QD1 ILE 52 - HE1 TYR 41 OK 25 98 - 25 - 9176/5.4=6, 8877/5.4=5...(7) QD1 ILE 52 - HE2 TYR 41 OK 24 94 - 25 - 9176/5.4=6, 8877/5.4=5...(7) QD1 LEU 14 - HE1 TYR 41 OK 17 82 - 20 - 10409/6.4=3, 8874/5.4=2...(7) QD1 LEU 14 - HE2 TYR 41 OK 15 76 - 20 - 10409/6.4=3, 8874/5.4=2...(6) QD2 LEU 14 - HE1 TYR 41 OK 10 64 - 16 - 8870/7.4=2, 2.1/14626=1...(7) QD2 LEU 14 - HE2 TYR 41 poor 9 58 - 16 - 8870/7.4=2, 8877/5.4=1...(7) QG2 VAL 58 - HE1 TYR 41 poor 9 75 - 12 - 10227/6.4=3, 8874/5.4=1 QG2 VAL 58 - HE2 TYR 41 poor 8 70 - 11 - 10227/6.4=3, 8874/5.4=1 QD1 ILE 8 - HE1 TYR 41 poor 7 60 - 11 - 8870/7.4=2, 8874/5.4=1 QD1 ILE 8 - HE2 TYR 41 poor 6 55 - 11 - 8870/7.4=2, 8874/5.4=1 QD1 ILE 56 - HE1 TYR 41 lone 5 68 - 7 - QD1 ILE 56 - HE2 TYR 41 lone 4 62 - 7 - Peak 14629 from cnoeabs.peaks (0.91, 6.86, 118.20 ppm; 4.76 A): 4 out of 4 assignments used, quality = 0.94: QG1 VAL 32 + HE1 TYR 41 OK 73 99 - 73 - 8939/2.5=22, 8939/4.9=14...(16) QG1 VAL 32 + HE2 TYR 41 OK 70 96 - 73 - 8939/2.5=22, 8939/4.9=13...(17) HG13 ILE 7 + HE1 TYR 41 OK 12 79 - 15 - 8257/6.4=3, 8249/7.4=2...(5) HG13 ILE 7 + HE2 TYR 41 OK 11 73 - 15 - 8257/6.4=3, 8249/7.4=2...(4) Peak 14630 from cnoeabs.peaks (3.90, 6.87, 127.01 ppm; 5.05 A): 4 out of 8 assignments used, quality = 0.94: HA ALA 89 + HD1 TRP 92 OK 85 100 - 86 - 9935=30, 3905/3.9=28...(15) HA ARG 91 + HD1 TRP 92 OK 40 89 - 45 - 3.6/7466=24, 4094/3.9=6...(9) HB2 SER 85 + HD1 TRP 92 OK 24 99 - 24 - 9846/5.9=7, 4094/3.9=4...(7) HA GLU 63 + HD1 TRP 92 OK 14 77 - 18 - 3.0/9464=5, 3.8/9466=4...(5) HA3 GLY 101 - HD1 TRP 92 lone 9 98 - 9 - 4106/3.9=2, 7452/5.9=2 HA GLU 35 - HD1 TRP 92 poor 9 86 - 10 - 7456/5.9=1, 4094/3.9=1 HB2 SER 102 - HD1 TRP 92 lone 8 99 - 8 - 4106/3.9=2, 4094/3.9=1 HA GLU 43 - HD1 TRP 92 lone 6 73 - 8 - 7456/5.9=1, 4106/3.9=1 Peak 14631 from cnoeabs.peaks (2.10, 6.87, 127.01 ppm; 5.57 A): 2 out of 9 assignments used, quality = 0.94: HB VAL 83 + HD1 TRP 92 OK 89 95 - 94 - 2.1/14635=42, ~10295=36...(13) HB3 PRO 86 + HD1 TRP 92 OK 40 100 - 40 - 3.9/14645=10, 3830/5.9=8...(10) HB2 PRO 86 - HD1 TRP 92 OK 22 77 - 29 - 3.9/14645=10, ~9972=5...(8) HG3 GLU 104 - HD1 TRP 92 OK 21 97 - 22 - ~12226=5, 3.0/12224=4...(5) HG3 GLU 37 - HD1 TRP 92 OK 19 99 - 19 - 8814/6.6=7, 9972/2.6=4...(4) HB2 LEU 64 - HD1 TRP 92 OK 17 95 - 18 - 3.0/14633=3, 9972/2.6=3...(6) QE MET 21 - HD1 TRP 92 OK 11 98 - 11 - 9972/2.6=2, 10974/9935=2...(4) HB2 GLU 23 - HD1 TRP 92 lone 3 65 - 4 - HB3 GLU 62 - HD1 TRP 92 lone 2 73 - 3 - Peak 14632 from cnoeabs.peaks (1.81, 6.87, 127.01 ppm; 6.50 A): 2 out of 9 assignments used, quality = 0.96: HB2 GLU 88 + HD1 TRP 92 OK 95 100 - 95 - 12226/2.6=35, ~12227=34...(16) HB2 GLU 104 + HD1 TRP 92 OK 35 100 - 36 - 12226/2.6=10, 12224=6...(12) HB3 LEU 57 - HD1 TRP 92 OK 30 65 - 46 - 3.1/9342=16...(10) HB2 LEU 42 - HD1 TRP 92 OK 27 100 - 27 - 1.8/14634=15, 9974/2.6=4...(5) HB2 LYS 90 - HD1 TRP 92 OK 22 98 - 22 - 9974/2.6=4...(8) HB ILE 93 - HD1 TRP 92 OK 20 100 - 20 - 9974/2.6=4, ~10001=3...(9) HG2 ARG 46 - HD1 TRP 92 OK 15 61 - 24 - 3.0/14529=9, ~9974=3...(4) HG3 ARG 46 - HD1 TRP 92 OK 13 61 - 22 - 3.0/14529=9, 9974/2.6=4...(4) HB2 LYS 39 - HD1 TRP 92 OK 12 95 - 12 - 9974/2.6=2 Peak 14633 from cnoeabs.peaks (1.47, 6.87, 127.01 ppm; 6.50 A): 5 out of 16 assignments used, quality = 0.63: HB2 ARG 91 + HD1 TRP 92 OK 36 80 - 46 - 4.3/7466=29, 3.0/9979=15...(4) HG LEU 64 + HD1 TRP 92 OK 17 95 - 18 - 3.0/14631=3, ~10001=2...(8) HG LEU 38 + HD1 TRP 92 OK 11 83 - 14 - 3.7/9979=4, 2.1/9996=2...(4) HB3 LEU 64 + HD1 TRP 92 OK 11 65 - 17 - 1.8/14631=4, ~9972=3...(7) HG13 ILE 52 + HD1 TRP 92 OK 11 77 - 14 - 2366/5.0=6, 5.1/14534=3 HB2 LEU 38 - HD1 TRP 92 poor 9 69 - 14 - 3.0/9979=4, 3.1/9996=2 HD2 LYS 82 - HD1 TRP 92 lone 7 83 - 9 - 7460/5.9=2, 10581/2692=1 HG3 LYS 53 - HD1 TRP 92 lone 7 99 - 7 - 7457/5.9=1 HG2 LYS 47 - HD1 TRP 92 poor 7 61 - 11 - 7457/5.9=4, 4.9/14534=2, ~9973=1 HD3 LYS 40 - HD1 TRP 92 lone 6 97 - 6 - 5.2/9979=1 HD2 LYS 40 - HD1 TRP 92 lone 6 95 - 6 - 5.2/9979=1 HG2 LYS 53 - HD1 TRP 92 lone 6 94 - 6 - 7460/5.9=1 HD2 LYS 53 - HD1 TRP 92 lone 5 83 - 7 - 7460/5.9=1, 9195/14637=1 HG2 LYS 20 - HD1 TRP 92 lone 5 77 - 7 - ~9973=2, 7460/5.9=1 HG2 LYS 66 - HD1 TRP 92 lone 5 61 - 7 - 7457/5.9=2, 12228/9935=1 HB2 LEU 27 - HD1 TRP 92 lone 4 77 - 6 - Peak 14634 from cnoeabs.peaks (1.32, 6.87, 127.01 ppm; 6.50 A): 0 out of 4 assignments used, low quality = 0.23: HB3 LEU 2 - HD1 TRP 92 OK 14 77 - 18 - 3.1/14636=6, ~9999=4 HB3 LEU 42 - HD1 TRP 92 OK 10 77 - 14 - 1.8/14632=4, ~9974=4, ~10001=2 QB ALA 67 - HD1 TRP 92 lone 4 61 - 7 - 9818/9782=1 HG LEU 3 - HD1 TRP 92 lone 2 61 - 3 - Peak 14635 from cnoeabs.peaks (1.00, 6.87, 127.01 ppm; 3.85 A): 2 out of 2 assignments used, quality = 0.61: QG1 VAL 83 + HD1 TRP 92 OK 57 77 - 74 - 9796=20, 10295/2.6=19...(16) QG2 THR 80 + HD1 TRP 92 OK 11 77 - 14 - 14642/5.1=2, 10993/5.9=2...(7) Peak 14636 from cnoeabs.peaks (0.81, 6.87, 127.01 ppm; 4.52 A): 7 out of 9 assignments used, quality = 0.88: QD2 LEU 57 + HD1 TRP 92 OK 51 89 - 57 - 2.1/9342=14, 9985/3.9=11...(14) QD1 ILE 76 + HD1 TRP 92 OK 25 98 - 25 - 9991/3.9=5, 9985/3.9=4...(9) QD2 LEU 2 + HD1 TRP 92 OK 24 100 - 24 - 3.1/14634=7, 9999/2.6=4...(9) QG2 ILE 15 + HD1 TRP 92 OK 24 100 - 24 - 9999/2.6=5, ~9975=5...(8) QD2 LEU 70 + HD1 TRP 92 OK 21 100 - 21 - 9999/2.6=4, 9991/3.9=3...(8) QD1 LEU 70 + HD1 TRP 92 OK 17 94 - 18 - 9999/2.6=3, ~9999=3...(8) QG2 ILE 7 + HD1 TRP 92 OK 15 95 - 15 - 9985/3.9=2, 9999/2.6=2...(5) QD2 LEU 38 - HD1 TRP 92 lone 6 73 - 9 - 3.8/9979=2, 2.1/14633=1 QD2 LEU 103 - HD1 TRP 92 lone 1 57 - 2 - Peak 14637 from cnoeabs.peaks (0.42, 6.87, 127.01 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.83: HG2 ARG 81 + HD1 TRP 92 OK 60 99 - 60 - 10000/2.6=24...(7) QD1 LEU 55 + HD1 TRP 92 OK 57 86 - 66 - 9255/3.9=29...(8) Peak 14638 from cnoeabs.peaks (4.80, 7.43, 120.39 ppm; 4.31 A): 4 out of 4 assignments used, quality = 0.89: HA VAL 83 + HE3 TRP 92 OK 72 100 - 72 - 14659/2.5=14...(15) HA TRP 92 + HE3 TRP 92 OK 45 57 - 79 - 4.8=71, 2.9/7467=16...(5) HA ASN 60 + HE3 TRP 92 OK 17 84 - 20 - 2692/5.1=4, 9978/2.5=3...(6) HA THR 34 + HE3 TRP 92 OK 12 65 - 18 - 3.0/14541=4, 14659/2.5=3...(6) Peak 14639 from cnoeabs.peaks (3.17, 7.43, 120.39 ppm; 5.82 A): 0 out of 3 assignments used, low quality = 0.00: HD3 ARG 19 - HE3 TRP 92 lone 4 98 - 4 - HD2 ARG 19 - HE3 TRP 92 lone 4 98 - 4 - HB2 HIS 106 - HE3 TRP 92 lone 3 81 - 3 - Peak 14640 from cnoeabs.peaks (3.08, 7.43, 120.39 ppm; 5.85 A): 2 out of 7 assignments used, quality = 0.76: HB2 TRP 92 + HE3 TRP 92 OK 70 70 - 100 - 4.2=100 HB2 PHE 96 + HE3 TRP 92 OK 21 77 - 27 - 9971/5.3=5, 4082/4.8=5...(7) HD3 ARG 30 - HE3 TRP 92 lone 7 100 - 7 - 9971/5.3=1 HD3 ARG 79 - HE3 TRP 92 lone 5 92 - 6 - 9254/14644=2, 10911/14642=1 HD2 ARG 79 - HE3 TRP 92 lone 5 87 - 6 - 9254/14644=2, 10911/14642=1 HB3 ASN 26 - HE3 TRP 92 lone 2 70 - 3 - HB3 HIS 105 - HE3 TRP 92 lone 1 61 - 2 - Peak 14641 from cnoeabs.peaks (2.16, 7.43, 120.39 ppm; 5.89 A): 3 out of 8 assignments used, quality = 0.65: HB3 GLU 95 + HE3 TRP 92 OK 44 99 - 45 - 2.9/11015=23...(3) HB2 GLN 72 + HE3 TRP 92 OK 30 100 - 30 - 12177=6, 3.0/3225=6...(8) HB3 GLU 23 + HE3 TRP 92 OK 11 92 - 13 - 4093/4.8=3, 4310/11015=2 HG2 GLU 104 - HE3 TRP 92 poor 8 73 - 11 - 3.0/3878=3, 4093/4.8=2...(4) HB3 GLU 16 - HE3 TRP 92 lone 6 100 - 5 - 4093/4.8=1 HG2 GLU 75 - HE3 TRP 92 lone 4 94 - 5 - HG3 GLU 75 - HE3 TRP 92 lone 4 90 - 4 - HB3 GLN 50 - HE3 TRP 92 lone 4 90 - 4 - Peak 14642 from cnoeabs.peaks (0.98, 7.43, 120.39 ppm; 6.01 A): 3 out of 3 assignments used, quality = 0.84: QG2 VAL 83 + HE3 TRP 92 OK 57 61 - 93 - ~9776=29, ~9795=26...(21) QG2 THR 80 + HE3 TRP 92 OK 47 100 - 47 - 9995/5.1=9, 10002/2.5=9...(16) HG LEU 55 + HE3 TRP 92 OK 32 65 - 48 - 2.1/14644=24...(5) Peak 14643 from cnoeabs.peaks (0.81, 7.43, 120.39 ppm; 5.01 A): 8 out of 11 assignments used, quality = 0.90: QD1 LEU 57 + HE3 TRP 92 OK 49 81 - 61 - 9357/4.2=19, 2.1/9343=15...(10) QD2 LEU 57 + HE3 TRP 92 OK 39 65 - 60 - 2.1/9341=20, 9991/4.2=11...(14) QG2 ILE 15 + HE3 TRP 92 OK 21 99 - 21 - 10120/4.2=4, 9999/5.3=4...(6) QD2 LEU 70 + HE3 TRP 92 OK 19 98 - 20 - 14662/2.5=3, 9999/5.3=3...(7) QD1 ILE 76 + HE3 TRP 92 OK 19 84 - 23 - 9991/4.2=5, 14662/2.5=3...(7) QD2 LEU 2 + HE3 TRP 92 OK 18 99 - 18 - 14636/5.1=3, 9991/4.2=3...(6) QD1 LEU 70 + HE3 TRP 92 OK 17 100 - 17 - ~14662=3, 14662/2.5=3...(7) QG2 ILE 7 + HE3 TRP 92 OK 11 77 - 14 - 9991/4.2=2, 14662/2.5=2...(6) QD2 LEU 38 - HE3 TRP 92 lone 6 94 - 6 - 9996/5.1=1 QG2 VAL 32 - HE3 TRP 92 lone 3 65 - 4 - QD2 LEU 103 - HE3 TRP 92 lone 2 84 - 2 - Peak 14644 from cnoeabs.peaks (0.44, 7.43, 120.39 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.88: QD1 LEU 55 + HE3 TRP 92 OK 81 100 - 81 - 9255/4.2=36, 9276=25...(13) HG2 ARG 81 + HE3 TRP 92 OK 40 92 - 44 - 12215/4.2=21...(5) Peak 14645 from cnoeabs.peaks (8.13, 6.87, 127.01 ppm; 5.19 A): 2 out of 3 assignments used, quality = 0.95: H TRP 92 + HD1 TRP 92 OK 91 98 - 93 - 5.9=68, 7464/3.9=32...(12) H ASP 87 + HD1 TRP 92 OK 48 100 - 48 - 9967/2.6=10, 9897/5.1=9...(12) H GLY 100 - HD1 TRP 92 OK 20 95 - 20 - 9967/2.6=4, 4080/4.5=4...(5) Peak 14646 from cnoeabs.peaks (5.12, 7.06, 130.85 ppm; 6.50 A): 3 out of 4 assignments used, quality = 0.91: HA LEU 3 + HZ PHE 96 OK 85 93 - 91 - 3.6/8120=38...(12) HA VAL 5 + HZ PHE 96 OK 36 78 - 47 - ~8170=20, ~10059=9...(6) HA ILE 7 + HZ PHE 96 OK 12 87 - 14 - 125/14649=3, 6033/8120=2...(5) HA SER 85 - HZ PHE 96 lone 6 70 - 9 - 9834/10294=2 Peak 14647 from cnoeabs.peaks (1.84, 7.06, 130.85 ppm; 6.50 A): 3 out of 7 assignments used, quality = 0.93: HB2 LYS 53 + HZ PHE 96 OK 88 98 - 90 - 1.8/9205=33, 4.4/9219=26...(12) HB VAL 5 + HZ PHE 96 OK 33 70 - 47 - ~8170=23, ~10059=11...(5) HB3 LYS 90 + HZ PHE 96 OK 10 87 - 12 - 2406/9205=3...(3) HB2 LYS 68 - HZ PHE 96 lone 8 95 - 8 - 6887/9219=2, 2406/9205=2 HB3 LYS 66 - HZ PHE 96 lone 3 70 - 4 - HB3 LYS 39 - HZ PHE 96 lone 2 67 - 3 - HB2 LYS 12 - HZ PHE 96 lone 2 59 - 3 - Peak 14648 from cnoeabs.peaks (1.54, 7.06, 130.85 ppm; 6.50 A): 2 out of 11 assignments used, quality = 0.96: HB2 LEU 3 + HZ PHE 96 OK 81 84 - 96 - 3.1/14649=37...(20) HD3 LYS 53 + HZ PHE 96 OK 77 87 - 89 - 3.6/9205=31, 3.0/9217=21...(14) HG2 ARG 79 - HZ PHE 96 OK 31 95 - 33 - ~10912=9, 8705/4.3=7...(8) HG3 ARG 79 - HZ PHE 96 OK 31 96 - 32 - ~10912=9, 8705/4.3=6...(8) HG3 ARG 30 - HZ PHE 96 OK 12 87 - 14 - 8705/4.3=4, 8705/4.3=4, ~14654=2 HG12 ILE 56 - HZ PHE 96 lone 8 89 - 9 - 10659/9292=3 HG2 LYS 33 - HZ PHE 96 lone 7 95 - 7 - HB ILE 7 - HZ PHE 96 poor 6 59 - 11 - 3.0/14646=3, ~14651=2 HG LEU 6 - HZ PHE 96 lone 5 70 - 7 - 10659/9292=2 HB3 LEU 103 - HZ PHE 96 lone 5 63 - 8 - 4489/8.2=2, 14668/4.3=1 HB2 LEU 14 - HZ PHE 96 lone 3 59 - 5 - Peak 14649 from cnoeabs.peaks (0.25, 7.06, 130.85 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.92: QD2 LEU 3 + HZ PHE 96 OK 92 97 - 95 - 5.0/8120=33, 8072/2.5=23...(19) Peak 14651 from cnoeabs.peaks (5.14, 6.96, 131.40 ppm; 6.50 A): 4 out of 8 assignments used, quality = 1.00: HA LEU 3 + HE2 PHE 96 OK 88 92 - 95 - 3.0/8068=23, 3.6/8119=23...(19) HA LEU 3 + HE1 PHE 96 OK 85 89 - 95 - 3.0/8068=23, 3.6/8119=23...(19) HA TYR 4 + HE2 PHE 96 OK 62 99 - 63 - ~8120=33, 3.0/8119=24...(13) HA TYR 4 + HE1 PHE 96 OK 61 97 - 63 - ~8120=33, 3.0/8119=23...(12) HA ILE 7 - HE2 PHE 96 OK 21 97 - 21 - 109/8068=2, 9202/9206=2...(11) HA ILE 7 - HE1 PHE 96 OK 20 95 - 21 - 109/8068=2, 9202/9206=2...(11) HA SER 85 - HE2 PHE 96 OK 11 100 - 10 - 10488/8646=1, 9203/9204=1 HA SER 85 - HE1 PHE 96 OK 10 99 - 10 - 10488/8646=1, 9203/9204=1 Peak 14652 from cnoeabs.peaks (4.50, 6.96, 131.40 ppm; 6.50 A): 2 out of 4 assignments used, quality = 1.00: HA PHE 96 + HE2 PHE 96 OK 97 97 - 100 - 6.3=100 HA PHE 96 + HE1 PHE 96 OK 95 95 - 100 - 6.4=100 HA PHE 45 - HE2 PHE 96 OK 20 77 - 25 - 4327/5.4=7, 4336/5.4=7...(5) HA PHE 45 - HE1 PHE 96 OK 19 74 - 25 - 4327/5.4=7, 4336/5.4=7...(5) Peak 14653 from cnoeabs.peaks (3.48, 6.96, 131.40 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.94: HB3 PHE 96 + HE2 PHE 96 OK 77 77 - 100 - 5.4=100 HB3 PHE 96 + HE1 PHE 96 OK 74 74 - 100 - 5.4=100 Peak 14654 from cnoeabs.peaks (3.09, 6.96, 131.40 ppm; 6.50 A): 2 out of 8 assignments used, quality = 1.00: HB2 PHE 96 + HE2 PHE 96 OK 98 98 - 100 - 5.4=100 HB2 PHE 96 + HE1 PHE 96 OK 96 96 - 100 - 5.4=100 HB2 TRP 92 - HE2 PHE 96 OK 41 96 - 43 - 4337/5.4=9, 4316/6.3=8...(9) HB2 TRP 92 - HE1 PHE 96 OK 39 93 - 42 - 4337/5.4=9, 4316/6.4=8...(9) HD3 ARG 79 - HE2 PHE 96 OK 32 61 - 52 - 1.8/10912=12, ~9700=12...(12) HD3 ARG 79 - HE1 PHE 96 OK 30 59 - 52 - 1.8/10912=12, ~9700=12...(12) HD3 ARG 30 - HE2 PHE 96 OK 22 94 - 23 - ~8705=4, 4316/6.3=2...(12) HD3 ARG 30 - HE1 PHE 96 OK 21 91 - 22 - ~8705=4, 10138/8644=2...(12) Peak 14655 from cnoeabs.peaks (4.69, 7.03, 131.42 ppm; 6.50 A): 4 out of 4 assignments used, quality = 0.81: HA LEU 55 + HD2 PHE 96 OK 49 61 - 80 - 4.0/9284=24, 3.0/9287=23...(10) HA LEU 55 + HD1 PHE 96 OK 48 61 - 80 - 4.0/9284=23, 3.0/9287=22...(10) HA LYS 82 + HD1 PHE 96 OK 15 86 - 17 - 3.9/14669=13 HA LYS 82 + HD2 PHE 96 OK 15 87 - 17 - 3.9/14669=13 Peak 14656 from cnoeabs.peaks (8.21, 7.03, 131.42 ppm; 5.71 A): 4 out of 8 assignments used, quality = 1.00: H PHE 96 + HD2 PHE 96 OK 100 100 - 100 - 5.3=100 H PHE 96 + HD1 PHE 96 OK 100 100 - 100 - 5.6=100 H SER 97 + HD2 PHE 96 OK 90 98 - 91 - 7572/3.7=42, 7571/3.7=32...(16) H SER 97 + HD1 PHE 96 OK 89 98 - 91 - 7572/3.7=42, 7571/3.7=32...(16) H GLU 104 - HD2 PHE 96 OK 36 98 - 36 - 7558/3.7=9, 7556/4.2=7...(11) H GLU 104 - HD1 PHE 96 OK 35 98 - 36 - 7558/3.7=9, 7556/4.3=6...(11) H GLU 43 - HD2 PHE 96 lone 3 70 - 5 - H GLU 43 - HD1 PHE 96 lone 3 69 - 5 - Peak 14657 from cnoeabs.peaks (8.20, 6.96, 131.40 ppm; 6.50 A): 3 out of 12 assignments used, quality = 0.96: H PHE 96 + HE2 PHE 96 OK 75 84 - 90 - 7.5=66, 7558/5.4=25...(10) H PHE 96 + HE1 PHE 96 OK 73 81 - 90 - 7.5=66, 7558/5.4=25...(10) H SER 97 + HE2 PHE 96 OK 45 70 - 65 - 7572/5.4=20, ~10082=16...(8) H SER 97 - HE1 PHE 96 OK 43 67 - 65 - 7572/5.4=20, ~10082=16...(8) H GLU 104 - HE2 PHE 96 OK 16 70 - 23 - 7558/5.4=6, 7557/5.4=4...(6) H GLU 104 - HE1 PHE 96 OK 15 67 - 23 - 7558/5.4=6, 7557/5.4=4...(6) H GLU 43 - HE2 PHE 96 lone 5 98 - 6 - 6688/8070=1 H GLU 43 - HE1 PHE 96 lone 5 96 - 6 - 6688/8070=1 H LYS 68 - HE2 PHE 96 lone 4 84 - 5 - H LYS 68 - HE1 PHE 96 lone 4 81 - 5 - H ASP 36 - HE2 PHE 96 lone 3 81 - 3 - H ASP 36 - HE1 PHE 96 lone 2 78 - 3 - Peak 14658 from cnoeabs.peaks (4.78, 7.24, 124.65 ppm; 6.29 A): 2 out of 2 assignments used, quality = 0.73: HA VAL 83 + HH2 TRP 92 OK 54 67 - 81 - ~9776=28, ~9781=27...(9) HA THR 34 + HH2 TRP 92 OK 41 99 - 42 - 3.0/1517=9, 3.2/1522=9...(10) Peak 14659 from cnoeabs.peaks (4.80, 7.06, 122.12 ppm; 5.15 A): 4 out of 4 assignments used, quality = 0.93: HA VAL 83 + HZ3 TRP 92 OK 84 97 - 87 - 3.2/9781=29, 3.0/9776=28...(11) HA TRP 92 + HZ3 TRP 92 OK 32 52 - 61 - 6.9=42, 14638/2.5=14...(4) HA THR 34 + HZ3 TRP 92 OK 20 60 - 33 - 3.0/14547=6, ~1522=5...(10) HA ASN 60 + HZ3 TRP 92 OK 19 78 - 24 - 9977/2.4=5, 14638/2.5=5...(9) Peak 14660 from cnoeabs.peaks (2.11, 7.06, 122.12 ppm; 6.50 A): 2 out of 11 assignments used, quality = 0.97: HB VAL 83 + HZ3 TRP 92 OK 94 96 - 98 - 2.1/9781=41, 9776=41...(17) HG3 GLU 37 + HZ3 TRP 92 OK 47 97 - 48 - 8814/2.4=17, ~8810=12...(7) HB3 PRO 86 - HZ3 TRP 92 OK 39 95 - 42 - 9857/2.5=13, ~9854=11...(10) HB3 GLU 37 - HZ3 TRP 92 OK 31 68 - 46 - ~8814=13, ~8808=12...(6) HB2 PRO 86 - HZ3 TRP 92 OK 30 86 - 35 - ~9854=11, ~9857=11...(9) HB2 LEU 64 - HZ3 TRP 92 OK 17 96 - 17 - 10760/9781=5...(6) HG3 GLU 104 - HZ3 TRP 92 OK 13 81 - 16 - 9972/5.9=3, ~14641=3...(5) QE MET 21 - HZ3 TRP 92 lone 8 84 - 9 - 9972/5.9=2, 8539/4.3=1 HB2 GLU 69 - HZ3 TRP 92 lone 3 64 - 5 - ~10803=1 HB3 GLU 69 - HZ3 TRP 92 lone 3 64 - 5 - ~10803=1 HG2 GLU 69 - HZ3 TRP 92 lone 2 64 - 3 - Peak 14661 from cnoeabs.peaks (0.96, 7.06, 122.12 ppm; 5.32 A): 2 out of 4 assignments used, quality = 0.97: QG2 VAL 83 + HZ3 TRP 92 OK 93 97 - 96 - 9781=41, 2.1/9776=34...(19) HG LEU 55 + HZ3 TRP 92 OK 55 97 - 56 - ~9276=19, ~14644=14...(12) QG2 VAL 5 - HZ3 TRP 92 OK 12 64 - 18 - 8177/6.4=3, 9990/6.4=3...(5) QG2 THR 80 - HZ3 TRP 92 poor 8 64 - 13 - 14642/2.5=4...(4) Peak 14662 from cnoeabs.peaks (0.80, 7.06, 122.12 ppm; 5.72 A): 7 out of 9 assignments used, quality = 0.92: QD2 LEU 57 + HZ3 TRP 92 OK 63 88 - 72 - ~9341=17, 9343/2.5=16...(17) QD2 LEU 70 + HZ3 TRP 92 OK 26 96 - 27 - 9997/2.5=4, 14665/2.4=4...(10) QD1 ILE 76 + HZ3 TRP 92 OK 26 96 - 27 - 9997/2.5=4, 9991/6.4=4...(8) QD1 LEU 70 + HZ3 TRP 92 OK 21 84 - 25 - 14665/2.4=3, 9997/2.5=3...(9) QG2 ILE 15 + HZ3 TRP 92 OK 21 95 - 22 - 9999/5.9=4, 14665/2.4=4...(6) QD2 LEU 2 + HZ3 TRP 92 OK 20 96 - 21 - 9997/2.5=4, 14665/2.4=3...(8) QG2 ILE 7 + HZ3 TRP 92 OK 16 93 - 17 - 9997/2.5=2, 9985/6.4=2...(8) QD2 LEU 38 - HZ3 TRP 92 lone 4 60 - 7 - 14665/2.4=2, 14643/2.5=1 QG2 ILE 8 - HZ3 TRP 92 lone 3 60 - 5 - Peak 14663 from cnoeabs.peaks (0.96, 7.49, 114.39 ppm; 6.50 A): 2 out of 3 assignments used, quality = 0.94: QG2 VAL 83 + HZ2 TRP 92 OK 90 94 - 96 - 10296/2.8=43, ~10295=43...(11) HG LEU 55 + HZ2 TRP 92 OK 40 92 - 43 - ~10000=17, 14661/4.3=11...(5) QG2 VAL 5 - HZ2 TRP 92 OK 25 92 - 27 - 14664/2.5=10, 8177/6.5=9...(4) Peak 14664 from cnoeabs.peaks (0.94, 7.24, 124.65 ppm; 6.03 A): 0 out of 2 assignments used, low quality = 0.43: HB2 ARG 81 - HH2 TRP 92 OK 32 89 - 36 - ~14666=19, ~10925=12, ~14667=8 QG2 VAL 5 - HH2 TRP 92 OK 16 98 - 16 - 8177/7.3=7, 14663/2.5=4 Peak 14665 from cnoeabs.peaks (0.81, 7.24, 124.65 ppm; 6.50 A): 9 out of 10 assignments used, quality = 0.94: QD2 LEU 57 + HH2 TRP 92 OK 42 81 - 52 - 14662/2.4=14...(6) QG2 ILE 15 + HH2 TRP 92 OK 33 99 - 34 - 9999/5.0=6, ~10003=6...(8) QD2 LEU 70 + HH2 TRP 92 OK 31 99 - 31 - 14662/2.4=6, 9999/5.0=5...(8) QD1 LEU 70 + HH2 TRP 92 OK 27 95 - 29 - 14662/2.4=5, ~14662=5...(9) QD2 LEU 2 + HH2 TRP 92 OK 26 99 - 26 - 9999/5.0=5, 14662/2.4=4...(7) QD1 ILE 76 + HH2 TRP 92 OK 26 93 - 27 - 14662/2.4=6, 9991/7.3=4...(6) QD1 LEU 57 + HH2 TRP 92 OK 23 59 - 40 - ~14662=11, 9357/7.3=10...(6) QG2 ILE 7 + HH2 TRP 92 OK 16 89 - 18 - 14662/2.4=4, 9999/5.0=3...(6) QD2 LEU 38 + HH2 TRP 92 OK 13 78 - 16 - 4.5/8858=5, 9996/6.6=1...(6) QD2 LEU 103 - HH2 TRP 92 lone 3 63 - 5 - Peak 14666 from cnoeabs.peaks (4.35, 7.49, 114.39 ppm; 6.50 A): 0 out of 3 assignments used, low quality = 0.25: HA ARG 81 - HZ2 TRP 92 OK 25 75 - 34 - ~14664=20, 5.3/10925=13 HA ASN 26 - HZ2 TRP 92 lone 4 90 - 4 - 3620/10925=1 HA ASP 61 - HZ2 TRP 92 lone 2 64 - 4 - Peak 14667 from cnoeabs.peaks (1.74, 7.49, 114.39 ppm; 6.50 A): 4 out of 6 assignments used, quality = 0.85: HD2 ARG 81 + HZ2 TRP 92 OK 55 85 - 65 - 5.3/14666=23, ~14664=19...(6) HD3 LYS 33 + HZ2 TRP 92 OK 32 82 - 39 - ~1456=10, ~1467=7...(7) HD2 LYS 33 + HZ2 TRP 92 OK 32 82 - 39 - ~1456=10, ~1467=7...(7) HB ILE 15 + HZ2 TRP 92 OK 29 94 - 31 - 9975/2.8=9, 2.9/10003=7...(5) HD2 LYS 90 - HZ2 TRP 92 lone 8 99 - 8 - 9975/2.8=3, 1.8/10003=2 HB2 GLU 28 - HZ2 TRP 92 lone 3 98 - 4 - Peak 14668 from cnoeabs.peaks (1.53, 7.03, 131.42 ppm; 6.50 A): 4 out of 20 assignments used, quality = 0.96: HG2 ARG 79 + HD2 PHE 96 OK 57 100 - 57 - 3.0/9700=12, 3.0/9700=12...(13) HG2 ARG 79 + HD1 PHE 96 OK 56 100 - 57 - 3.0/9700=12, 3.0/9700=12...(13) HG3 ARG 79 + HD2 PHE 96 OK 56 99 - 57 - 3.0/9700=12, 3.0/9700=12...(13) HG3 ARG 79 + HD1 PHE 96 OK 56 99 - 56 - 3.0/9700=12, 3.0/9700=12...(13) HG3 ARG 30 - HD2 PHE 96 OK 22 100 - 21 - 8705=5, 8705/4.3=4...(8) HG3 ARG 30 - HD1 PHE 96 OK 22 100 - 21 - 8705/4.3=5, 8705=4...(8) HB3 LEU 103 - HD2 PHE 96 OK 18 96 - 18 - 4489/5.3=7, 4.3/7559=4...(4) HB3 LEU 103 - HD1 PHE 96 OK 17 95 - 18 - 4489/5.6=7, 4.3/7559=4...(4) HB ILE 7 - HD2 PHE 96 OK 11 94 - 12 - 8275/8067=2, ~14651=2...(4) HB ILE 7 - HD1 PHE 96 OK 11 94 - 12 - 8275/8067=2, ~14651=2...(4) HG12 ILE 56 - HD2 PHE 96 OK 11 100 - 11 - 9251/9275=2, 10196/8171=1 HG12 ILE 56 - HD1 PHE 96 OK 11 100 - 11 - 9251/9275=2, 10196/8171=1 HG LEU 2 - HD2 PHE 96 poor 9 73 - 13 - ~10128=4, ~10127=2...(4) HG LEU 2 - HD1 PHE 96 poor 9 73 - 12 - ~10128=4, ~10127=2, 14678/2.5=1 HG LEU 6 - HD2 PHE 96 lone 9 98 - 9 - 10196/8171=1 HG LEU 6 - HD1 PHE 96 lone 9 98 - 9 - 10196/8171=1 HB2 LEU 14 - HD2 PHE 96 lone 7 94 - 7 - HB2 LEU 14 - HD1 PHE 96 lone 7 94 - 7 - HG2 LYS 33 - HD2 PHE 96 lone 4 70 - 5 - HG2 LYS 33 - HD1 PHE 96 lone 4 69 - 5 - Peak 14669 from cnoeabs.peaks (1.13, 7.03, 131.42 ppm; 6.50 A): 0 out of 4 assignments used, low quality = 0.22: HG3 LYS 82 - HD1 PHE 96 OK 12 89 - 13 - 3.9/14655=4, 9762/8645=2...(4) HG3 LYS 82 - HD2 PHE 96 OK 12 90 - 13 - 3.9/14655=4, 9762/8645=2...(4) QG2 THR 31 - HD1 PHE 96 lone 3 80 - 4 - QG2 THR 31 - HD2 PHE 96 lone 3 81 - 4 - Peak 14670 from cnoeabs.peaks (0.94, 7.03, 131.42 ppm; 5.21 A): 2 out of 6 assignments used, quality = 0.96: QG2 VAL 5 + HD1 PHE 96 OK 81 100 - 81 - 8169=25, 8170/2.5=25...(14) QG2 VAL 5 + HD2 PHE 96 OK 81 100 - 81 - 8169=25, 8170/2.5=23...(14) HB2 ARG 81 - HD1 PHE 96 OK 20 86 - 23 - 10059/2.5=5, 10052/3.7=4...(8) HB2 ARG 81 - HD2 PHE 96 OK 19 87 - 22 - 10059/2.5=4, 10052/3.7=4...(8) QG2 VAL 83 - HD1 PHE 96 lone 5 61 - 9 - 9781/4.3=2, 10052/3.7=2 QG2 VAL 83 - HD2 PHE 96 lone 5 61 - 8 - 9781/4.3=2, 10052/3.7=2 Peak 14671 from cnoeabs.peaks (0.75, 7.03, 131.42 ppm; 4.85 A): 5 out of 18 assignments used, quality = 0.97: QG2 ILE 93 + HD2 PHE 96 OK 59 99 - 60 - 10031=18, 10031/4.3=11...(15) QG2 ILE 93 + HD1 PHE 96 OK 59 99 - 60 - 10031=18, 10031/4.3=11...(15) HG13 ILE 93 + HD2 PHE 96 OK 47 100 - 47 - 3.2/10031=14...(14) HG13 ILE 93 + HD1 PHE 96 OK 46 100 - 47 - 3.2/10031=14...(14) QD2 LEU 27 + HD1 PHE 96 OK 43 69 - 62 - 2.1/8645=19, ~8644=15...(14) QD2 LEU 27 - HD2 PHE 96 OK 43 70 - 61 - 2.1/8645=18, ~8644=14...(14) HG3 ARG 81 - HD1 PHE 96 OK 33 97 - 35 - 2.9/10053=11...(9) HG3 ARG 81 - HD2 PHE 96 OK 33 97 - 34 - 2.9/10053=11...(9) QG1 VAL 54 - HD1 PHE 96 OK 16 77 - 20 - ~9220=8, ~10330=6...(4) QG1 VAL 54 - HD2 PHE 96 OK 15 77 - 19 - ~9220=9, ~10330=5...(4) QG1 VAL 78 - HD1 PHE 96 OK 14 100 - 14 - 2.1/8171=2, ~10330=2...(4) QG1 VAL 78 - HD2 PHE 96 OK 14 100 - 14 - 2.1/8171=2, ~10330=2 HG13 ILE 15 - HD1 PHE 96 lone 6 95 - 7 - 8463/14669=1 HG13 ILE 15 - HD2 PHE 96 lone 6 96 - 6 - 8463/14669=1 QD1 LEU 64 - HD1 PHE 96 lone 6 99 - 6 - QD1 LEU 64 - HD2 PHE 96 lone 6 99 - 6 - QD1 ILE 15 - HD1 PHE 96 lone 5 83 - 5 - QD1 ILE 15 - HD2 PHE 96 lone 5 84 - 5 - Peak 14672 from cnoeabs.peaks (0.49, 7.03, 131.42 ppm; 5.99 A): 0 out of 0 assignments used, low quality = 0.00: Peak 14673 from cnoeabs.peaks (0.93, 6.96, 131.40 ppm; 6.50 A): 4 out of 4 assignments used, quality = 0.93: QG2 VAL 5 + HE2 PHE 96 OK 57 77 - 73 - 8169/2.5=15, ~8171=15...(13) QG2 VAL 5 + HE1 PHE 96 OK 54 74 - 73 - ~8171=15, 8169/2.5=15...(13) HB2 ARG 81 + HE2 PHE 96 OK 41 100 - 41 - 10053/2.5=20...(6) HB2 ARG 81 + HE1 PHE 96 OK 40 99 - 41 - 10053/2.5=20...(6) Peak 14674 from cnoeabs.peaks (0.74, 6.96, 131.40 ppm; 5.55 A): 4 out of 20 assignments used, quality = 0.97: QD2 LEU 27 + HE2 PHE 96 OK 64 84 - 77 - ~8645=19, 8646=18...(13) QD2 LEU 27 + HE1 PHE 96 OK 63 81 - 77 - ~8645=20, 8646=18...(13) QG2 ILE 93 + HE2 PHE 96 OK 55 96 - 58 - 10031/2.5=18, ~10004=13...(13) QG2 ILE 93 + HE1 PHE 96 OK 53 93 - 57 - 10031/2.5=18, ~10004=13...(13) QG1 VAL 5 - HE2 PHE 96 OK 45 73 - 61 - ~8169=19, 2.1/8170=18...(10) QG1 VAL 5 - HE1 PHE 96 OK 44 71 - 62 - 2.1/8170=20, ~8169=20...(10) HG13 ILE 93 - HE2 PHE 96 OK 42 100 - 42 - ~10031=12, 10049/5.4=6...(14) HG13 ILE 93 - HE1 PHE 96 OK 42 99 - 42 - ~10031=12, 10049/5.4=6...(15) HG3 ARG 81 - HE2 PHE 96 OK 34 100 - 35 - ~10053=10, 12216/5.4=8...(8) HG3 ARG 81 - HE1 PHE 96 OK 34 98 - 35 - ~10053=11, 12216/5.4=8...(8) QG1 VAL 54 - HE2 PHE 96 OK 27 61 - 44 - ~9221=21, 3.2/9220=17...(5) QG1 VAL 54 - HE1 PHE 96 OK 25 59 - 43 - ~9221=21, 3.2/9220=17...(4) QG1 VAL 78 - HE1 PHE 96 OK 14 98 - 15 - 3.2/10330=2, ~8171=2 QG1 VAL 78 - HE2 PHE 96 OK 14 100 - 14 - ~8171=2, 3.2/10330=2 QD1 LEU 64 - HE2 PHE 96 lone 6 100 - 5 - QD1 LEU 64 - HE1 PHE 96 lone 5 99 - 6 - HG13 ILE 15 - HE2 PHE 96 lone 5 87 - 6 - HG13 ILE 15 - HE1 PHE 96 lone 5 84 - 6 - QD1 ILE 15 - HE2 PHE 96 lone 4 70 - 6 - QD1 ILE 15 - HE1 PHE 96 lone 4 67 - 6 - Peak 14675 from cnoeabs.peaks (0.49, 6.96, 131.40 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.83: QD2 LEU 55 + HE2 PHE 96 OK 59 65 - 91 - 10050/5.4=40, ~9275=21...(17) QD2 LEU 55 + HE1 PHE 96 OK 57 63 - 91 - 10050/5.4=40, ~9275=21...(16) Peak 14676 from cnoeabs.peaks (0.26, 6.96, 131.40 ppm; 6.50 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 3 + HE2 PHE 96 OK 99 100 - 99 - 14649/2.5=38...(26) QD2 LEU 3 + HE1 PHE 96 OK 98 99 - 99 - 14649/2.5=38...(26) Peak 14677 from cnoeabs.peaks (1.16, 6.96, 131.40 ppm; 6.50 A): 2 out of 12 assignments used, quality = 1.00: HB3 LEU 3 + HE2 PHE 96 OK 96 98 - 98 - ~14649=27, 8067/2.5=24...(21) HB3 LEU 3 + HE1 PHE 96 OK 94 96 - 98 - ~14649=27, 8067/2.5=24...(21) HB2 LEU 29 - HE2 PHE 96 OK 18 99 - 18 - 10498/8170=4...(8) HB2 LEU 29 - HE1 PHE 96 OK 18 98 - 18 - 10498/8170=5...(9) HG2 LYS 40 - HE2 PHE 96 OK 15 100 - 15 - 127/8072=2, 135/8074=2...(9) HG2 LYS 40 - HE1 PHE 96 OK 15 99 - 15 - 127/8072=2, 135/8074=2...(9) HG3 LYS 82 - HE2 PHE 96 OK 11 65 - 17 - 10133/8646=2, 127/8072=2...(8) HG3 LYS 82 - HE1 PHE 96 OK 11 63 - 17 - 10133/8646=2, 127/8072=2...(8) QG2 THR 31 - HE2 PHE 96 lone 6 77 - 8 - QG2 THR 31 - HE1 PHE 96 lone 6 74 - 8 - QG2 THR 34 - HE2 PHE 96 lone 2 61 - 3 - QG2 THR 34 - HE1 PHE 96 lone 2 59 - 3 - Peak 14678 from cnoeabs.peaks (1.52, 6.96, 131.40 ppm; 6.50 A): 6 out of 24 assignments used, quality = 0.90: HG2 ARG 79 + HE2 PHE 96 OK 41 77 - 53 - 3.0/10912=12...(10) HG2 ARG 79 + HE1 PHE 96 OK 39 74 - 52 - 3.0/10912=12...(10) HG3 ARG 79 + HE2 PHE 96 OK 38 73 - 52 - 3.0/10912=12...(10) HG3 ARG 79 + HE1 PHE 96 OK 37 71 - 52 - 3.0/10912=12...(10) HG3 ARG 30 + HE2 PHE 96 OK 16 90 - 18 - 8705/2.5=4, 8705/4.9=3...(5) HG3 ARG 30 + HE1 PHE 96 OK 16 87 - 18 - 8705/2.5=4, 8705/4.9=3...(5) HB ILE 7 - HE2 PHE 96 OK 13 100 - 13 - ~14646=2, 3.0/14651=2...(4) HG LEU 2 - HE2 PHE 96 OK 13 99 - 13 - 2.1/10128=5, 2.1/10127=1 HB ILE 7 - HE1 PHE 96 OK 13 98 - 13 - ~14646=2, 3.0/14651=2...(4) HB3 LEU 103 - HE2 PHE 96 OK 12 99 - 12 - 4489/7.5=5, 4.3/14657=2 HG LEU 2 - HE1 PHE 96 OK 12 98 - 12 - 2.1/10128=5, 10664/9290=1 HB3 LEU 103 - HE1 PHE 96 OK 12 98 - 12 - 4489/7.5=5, 4.3/14657=2 HG12 ILE 56 - HE2 PHE 96 lone 9 87 - 10 - 9317/10669=3, 10664/9290=1 HG12 ILE 56 - HE1 PHE 96 lone 8 84 - 10 - 9317/10669=3, 10664/9290=1 HG LEU 6 - HE2 PHE 96 lone 7 98 - 8 - HG LEU 6 - HE1 PHE 96 lone 7 96 - 7 - HB2 LEU 14 - HE2 PHE 96 lone 6 100 - 6 - HB2 LEU 14 - HE1 PHE 96 lone 6 98 - 6 - HG LEU 57 - HE2 PHE 96 lone 6 65 - 9 - 10214/14675=4, 10664/9290=2 HG LEU 57 - HE1 PHE 96 lone 5 63 - 9 - 10214/14675=3, 10664/9290=2 HG3 LYS 33 - HE2 PHE 96 lone 3 77 - 4 - HG3 LYS 33 - HE1 PHE 96 lone 3 74 - 4 - HG3 LYS 24 - HE2 PHE 96 lone 3 90 - 3 - HG3 LYS 24 - HE1 PHE 96 lone 3 87 - 3 - Peak 14679 from cnoeabs.peaks (2.00, 6.66, 129.63 ppm; 6.50 A): 4 out of 14 assignments used, quality = 0.99: HB2 GLU 44 + HD1 PHE 45 OK 72 100 - 72 - 3.0/8990=19, 3.0/8993=19...(10) HB3 GLU 44 + HD1 PHE 45 OK 72 100 - 72 - 3.0/8990=19, 3.0/8993=19...(10) HB2 GLU 44 + HD2 PHE 45 OK 72 100 - 72 - 3.0/8990=19, 3.0/8993=19...(10) HB3 GLU 44 + HD2 PHE 45 OK 72 100 - 72 - 3.0/8990=19, 3.0/8993=19...(10) QE MET 74 - HD1 PHE 45 OK 21 100 - 21 - 6725/5.5=3, 10868/9632=3...(7) QE MET 74 - HD2 PHE 45 OK 21 100 - 21 - 10868/9632=3, 6725/5.6=3...(7) HB3 GLU 17 - HD1 PHE 45 lone 9 96 - 10 - 593/14685=3 HB3 GLU 17 - HD2 PHE 45 lone 9 96 - 10 - 593/14685=3 HB2 GLU 35 - HD1 PHE 45 lone 6 94 - 6 - 6724/5.5=1 HB2 GLU 35 - HD2 PHE 45 lone 6 94 - 6 - 6724/5.6=1 HB3 MET 1 - HD1 PHE 45 lone 5 99 - 5 - HB3 MET 1 - HD2 PHE 45 lone 5 99 - 5 - HB2 GLU 62 - HD1 PHE 45 lone 2 70 - 4 - HB2 GLU 62 - HD2 PHE 45 lone 2 70 - 4 - Peak 14680 from cnoeabs.peaks (0.77, 6.66, 129.63 ppm; 4.74 A): 6 out of 18 assignments used, quality = 1.00: QD1 LEU 6 + HD2 PHE 45 OK 80 99 - 81 - 8214/4.3=27, 8211=23...(12) QD1 LEU 6 + HD1 PHE 45 OK 80 99 - 81 - 8214/4.3=27, 8211=23...(12) QG1 VAL 54 + HD1 PHE 45 OK 76 99 - 77 - 9229/4.3=24, 9226/2.5=22...(10) QG1 VAL 54 + HD2 PHE 45 OK 76 99 - 76 - 9229/4.3=24, 2.1/9222=22...(10) QD2 LEU 42 + HD1 PHE 45 OK 65 100 - 65 - 10600=24, 10600/4.3=16...(12) QD2 LEU 42 + HD2 PHE 45 OK 65 100 - 65 - 10600=24, 10600/4.3=16...(12) QG2 ILE 52 - HD1 PHE 45 OK 36 84 - 43 - 3.1/9147=9, 9144/4.3=8...(10) QG2 ILE 52 - HD2 PHE 45 OK 36 84 - 43 - 3.1/9147=9, 9144/4.3=8...(10) QD1 ILE 15 - HD1 PHE 45 OK 11 98 - 11 - 8445/3.7=3, 684/6745=1 QD1 ILE 15 - HD2 PHE 45 OK 11 98 - 11 - 8445/3.7=3, 684/6745=1 QD1 ILE 93 - HD1 PHE 45 OK 11 99 - 11 - 4169/5.5=3, 8996/4.2=2 QD1 ILE 93 - HD2 PHE 45 OK 11 99 - 11 - 4169/5.6=3, 8996/4.2=2 HG13 ILE 15 - HD1 PHE 45 lone 8 90 - 9 - 8444/3.7=3 HG13 ILE 15 - HD2 PHE 45 lone 8 90 - 9 - 8444/3.7=3 QD1 LEU 27 - HD1 PHE 45 lone 8 100 - 8 - 1220/5.5=2, 8996/4.2=2 QD1 LEU 27 - HD2 PHE 45 lone 8 100 - 8 - 1220/5.6=2, 8996/4.2=2 QG2 ILE 93 - HD1 PHE 45 lone 5 77 - 7 - 4145/5.5=2, 4.3/9003=1 QG2 ILE 93 - HD2 PHE 45 lone 5 77 - 7 - 4.3/9003=1, 4145/5.6=1 Peak 14681 from cnoeabs.peaks (0.67, 6.66, 129.63 ppm; 5.00 A): 5 out of 12 assignments used, quality = 0.97: QD2 LEU 6 + HD2 PHE 45 OK 60 81 - 75 - 8215/4.3=23, 2.1/8211=20...(12) QD2 LEU 6 + HD1 PHE 45 OK 60 81 - 75 - 8215/4.3=23, 2.1/8211=20...(12) QD1 LEU 42 + HD1 PHE 45 OK 42 73 - 57 - 2.1/10600=23...(11) QD1 LEU 42 + HD2 PHE 45 OK 42 73 - 57 - 2.1/10600=23...(11) QG2 VAL 54 + HD1 PHE 45 OK 42 65 - 63 - ~9226=17, 9228/4.3=12...(13) QG2 VAL 54 - HD2 PHE 45 OK 41 65 - 62 - ~9226=15, 9228/4.3=12...(13) QD1 LEU 14 - HD1 PHE 45 OK 29 99 - 29 - 4.0/14685=6, 8416/3.7=5...(9) QD1 LEU 14 - HD2 PHE 45 OK 29 99 - 29 - 4.0/14685=6, 8416/3.7=5...(9) QG2 VAL 58 - HD1 PHE 45 lone 9 100 - 9 - 9010/4.3=1 QG2 VAL 58 - HD2 PHE 45 lone 9 100 - 9 - 9010/4.3=1 QD1 LEU 29 - HD1 PHE 45 lone 1 61 - 2 - QD1 LEU 29 - HD2 PHE 45 lone 1 61 - 2 - Peak 14682 from cnoeabs.peaks (4.51, 6.51, 129.73 ppm; 5.84 A): 2 out of 4 assignments used, quality = 0.98: HA PHE 45 + HE1 PHE 45 OK 88 94 - 94 - 6.3=80, 2035/2.5=23...(9) HA PHE 45 + HE2 PHE 45 OK 83 89 - 93 - 6.4=78, 2035/2.5=23...(9) HA PHE 96 - HE1 PHE 45 OK 18 99 - 18 - 2050/5.4=5, 2041/5.4=5...(5) HA PHE 96 - HE2 PHE 45 OK 18 96 - 18 - 2050/5.4=5, 2041/5.4=5...(5) Peak 14683 from cnoeabs.peaks (3.69, 6.51, 129.73 ppm; 6.50 A): 4 out of 8 assignments used, quality = 0.87: HA LEU 42 + HE1 PHE 45 OK 47 75 - 63 - 8928/2.5=15, 8928/4.9=13...(12) HA LEU 42 + HE2 PHE 45 OK 43 70 - 63 - 8928/2.5=15, 8928/4.9=13...(12) HA LEU 14 + HE1 PHE 45 OK 34 96 - 36 - 14685/2.5=11...(9) HA LEU 14 + HE2 PHE 45 OK 32 90 - 36 - 14685/2.5=11...(9) HA GLU 37 - HE1 PHE 45 poor 9 60 - 15 - 2048/5.4=4, 2039/5.4=4 HB THR 80 - HE1 PHE 45 lone 8 90 - 9 - 14685/2.5=3, 14685/4.9=2 HA GLU 37 - HE2 PHE 45 poor 8 55 - 15 - 2048/5.4=4, 2039/5.4=4 HB THR 80 - HE2 PHE 45 lone 8 84 - 9 - 14685/2.5=3, 14685/4.9=2 Peak 14684 from cnoeabs.peaks (2.96, 6.51, 129.73 ppm; 6.11 A): 2 out of 24 assignments used, quality = 0.98: HB3 PHE 45 + HE1 PHE 45 OK 88 88 - 100 - 5.4=100 HB3 PHE 45 + HE2 PHE 45 OK 82 82 - 100 - 5.4=100 HE2 LYS 47 - HE1 PHE 45 poor 7 64 - 11 - 6730/7.5=1, 2034/6.3=1, ~14516=1 HE3 LYS 47 - HE1 PHE 45 poor 7 64 - 11 - 6730/7.5=1, 2034/6.3=1, ~14516=1 HE3 LYS 47 - HE2 PHE 45 poor 6 58 - 11 - 6730/7.5=1, 2034/6.4=1, ~14516=1 HE2 LYS 47 - HE2 PHE 45 poor 6 58 - 11 - 6730/7.5=1, 2034/6.4=1, ~14516=1 HE2 LYS 24 - HE1 PHE 45 lone 5 97 - 5 - HE3 LYS 24 - HE1 PHE 45 lone 5 97 - 5 - HB2 ASN 51 - HE1 PHE 45 lone 5 90 - 5 - ~14690=3 HE3 LYS 24 - HE2 PHE 45 lone 5 92 - 5 - HE2 LYS 24 - HE2 PHE 45 lone 5 92 - 5 - HE2 LYS 13 - HE1 PHE 45 lone 5 98 - 5 - HE3 LYS 13 - HE1 PHE 45 lone 5 99 - 5 - HB2 ASN 51 - HE2 PHE 45 lone 5 84 - 5 - ~14690=3 HE2 LYS 13 - HE2 PHE 45 lone 4 94 - 5 - HE3 LYS 13 - HE2 PHE 45 lone 4 95 - 5 - HE3 LYS 12 - HE1 PHE 45 lone 4 92 - 4 - HE3 LYS 12 - HE2 PHE 45 lone 3 87 - 4 - HE2 LYS 73 - HE1 PHE 45 lone 3 98 - 3 - HE2 LYS 73 - HE2 PHE 45 lone 3 93 - 3 - HG2 MET 21 - HE1 PHE 45 lone 3 71 - 4 - 8534/7.5=1 HE3 LYS 73 - HE1 PHE 45 lone 2 90 - 3 - HG2 MET 21 - HE2 PHE 45 lone 2 66 - 4 - 8534/7.5=1 HE3 LYS 73 - HE2 PHE 45 lone 2 84 - 3 - Peak 14685 from cnoeabs.peaks (3.68, 6.66, 129.63 ppm; 6.00 A): 0 out of 6 assignments used, low quality = 0.32: HA LEU 14 - HD1 PHE 45 OK 18 100 - 18 - 14683/2.5=5, 14683/4.9=4...(4) HA LEU 14 - HD2 PHE 45 OK 18 100 - 18 - 14683/2.5=5, 14683/4.9=4...(4) HA LYS 90 - HD1 PHE 45 lone 8 90 - 9 - 10979/5.5=5 HA LYS 90 - HD2 PHE 45 lone 8 90 - 9 - 10979/5.6=4 HB THR 80 - HD1 PHE 45 lone 5 100 - 5 - 14683/2.5=1 HB THR 80 - HD2 PHE 45 lone 5 100 - 5 - 14683/2.5=1 Peak 14686 from cnoeabs.peaks (0.76, 6.51, 129.73 ppm; 4.61 A): 6 out of 22 assignments used, quality = 1.00: QD1 LEU 6 + HE1 PHE 45 OK 82 92 - 89 - 8214/2.5=32, ~8215=28...(17) QG1 VAL 54 + HE1 PHE 45 OK 82 99 - 82 - 9229/2.5=32, 2.1/9223=21...(16) QG1 VAL 54 + HE2 PHE 45 OK 79 96 - 82 - 9229/2.5=32, 2.1/9223=20...(16) QD1 LEU 6 + HE2 PHE 45 OK 78 87 - 89 - 8214/2.5=32, ~8215=28...(17) QD2 LEU 42 + HE1 PHE 45 OK 57 98 - 59 - 10600/2.5=22...(14) QD2 LEU 42 + HE2 PHE 45 OK 54 93 - 58 - 10600/2.5=21...(14) QG2 ILE 52 - HE1 PHE 45 OK 26 68 - 39 - ~9147=10, 9144/2.5=8...(11) QG2 ILE 52 - HE2 PHE 45 OK 24 62 - 39 - ~9147=10, 9144/2.5=8...(11) QD1 ILE 15 - HE1 PHE 45 lone 9 99 - 9 - 8445/5.4=2 QD1 ILE 15 - HE2 PHE 45 lone 9 95 - 9 - 8445/5.4=2 HG13 ILE 15 - HE1 PHE 45 lone 8 96 - 8 - 8444/5.4=2 HG13 ILE 15 - HE2 PHE 45 lone 8 90 - 8 - 8444/5.4=2 QD1 ILE 93 - HE1 PHE 45 lone 7 94 - 8 - 4169/7.5=1 QD1 ILE 93 - HE2 PHE 45 lone 7 89 - 8 - 4169/7.5=1 QD1 LEU 27 - HE1 PHE 45 lone 6 96 - 6 - QD1 LEU 27 - HE2 PHE 45 lone 6 90 - 6 - QG2 ILE 93 - HE1 PHE 45 lone 5 88 - 6 - 4145/7.5=1 QG2 ILE 93 - HE2 PHE 45 lone 5 82 - 6 - 4145/7.5=1 HG13 ILE 93 - HE1 PHE 45 lone 3 64 - 4 - HG13 ILE 93 - HE2 PHE 45 lone 2 58 - 4 - QG1 VAL 78 - HE1 PHE 45 lone 2 71 - 2 - QG1 VAL 78 - HE2 PHE 45 lone 1 66 - 2 - Peak 14687 from cnoeabs.peaks (0.65, 6.51, 129.73 ppm; 5.24 A): 2 out of 6 assignments used, quality = 0.99: QG2 VAL 54 + HE1 PHE 45 OK 91 99 - 91 - 9228/2.5=37, ~9229=28...(17) QG2 VAL 54 + HE2 PHE 45 OK 87 96 - 91 - 9228/2.5=37, ~9229=28...(17) QD1 LEU 29 - HE1 PHE 45 lone 5 99 - 5 - 2502/9226=2 QD1 LEU 29 - HE2 PHE 45 lone 5 96 - 5 - 2502/9226=1 QD2 LEU 29 - HE1 PHE 45 lone 3 88 - 4 - 2502/9226=1 QD2 LEU 29 - HE2 PHE 45 lone 3 82 - 4 - Peak 14688 from cnoeabs.peaks (6.83, 6.14, 127.52 ppm; 6.28 A): 2 out of 2 assignments used, quality = 0.94: HD1 TYR 41 + HZ PHE 45 OK 76 100 - 76 - 3.7/8890=42, 3.7/8889=31...(7) HD2 TYR 41 + HZ PHE 45 OK 76 100 - 76 - 3.7/8890=42, 3.7/8889=31...(7) Peak 14689 from cnoeabs.peaks (4.49, 6.14, 127.52 ppm; 6.50 A): 0 out of 0 assignments used, low quality = 0.00: Peak 14690 from cnoeabs.peaks (2.66, 6.14, 127.52 ppm; 6.50 A): 1 out of 3 assignments used, quality = 0.69: HD2 ARG 30 + HZ PHE 45 OK 69 92 - 75 - 3.0/8701=44, 8707=39...(7) HB3 ASN 51 - HZ PHE 45 lone 8 87 - 9 - 1344/8701=4 HD3 ARG 91 - HZ PHE 45 lone 6 100 - 6 - 1344/8701=3 Peak 14691 from cnoeabs.peaks (2.29, 6.14, 127.52 ppm; 6.03 A): 3 out of 6 assignments used, quality = 0.86: HB2 TYR 4 + HZ PHE 45 OK 80 98 - 81 - 1.8/8127=44...(9) HB2 GLU 48 + HZ PHE 45 OK 24 84 - 29 - 10620/7.2=8, 8230/8215=5...(7) HG2 GLU 63 + HZ PHE 45 OK 11 92 - 12 - 8230/8215=4...(4) HG3 GLU 16 - HZ PHE 45 lone 8 84 - 9 - 1.8/9008=2, 8230/8215=2 HG2 GLU 95 - HZ PHE 45 lone 3 81 - 4 - HG2 GLU 23 - HZ PHE 45 lone 2 77 - 3 - Peak 14692 from cnoeabs.peaks (1.52, 6.14, 127.52 ppm; 6.50 A): 2 out of 11 assignments used, quality = 0.98: HG LEU 6 + HZ PHE 45 OK 94 100 - 94 - 2.1/8214=49, 2.1/8215=47...(16) HG3 ARG 30 + HZ PHE 45 OK 74 96 - 77 - 1.8/8701=48, 3.0/8707=42...(10) HB2 LEU 14 - HZ PHE 45 OK 34 100 - 34 - 3.1/9010=7, ~14683=5...(13) HB ILE 7 - HZ PHE 45 OK 22 100 - 22 - 10209/9229=4...(8) HG2 ARG 79 - HZ PHE 45 OK 17 87 - 19 - 1343/8701=4, 1361/8707=3...(8) HG3 ARG 79 - HZ PHE 45 OK 16 84 - 19 - 1343/8701=4, 1361/8707=3...(6) HG12 ILE 56 - HZ PHE 45 OK 15 94 - 16 - 229/8214=3, 221/8215=3...(5) HG LEU 2 - HZ PHE 45 lone 9 97 - 10 - 10209/9229=2...(3) HB3 LEU 103 - HZ PHE 45 lone 7 100 - 7 - HG3 LYS 33 - HZ PHE 45 lone 4 65 - 7 - 10209/9229=1, 1458/7.2=1 HG3 LYS 24 - HZ PHE 45 lone 3 81 - 4 - Peak 14693 from cnoeabs.peaks (1.29, 6.14, 127.52 ppm; 6.50 A): 2 out of 4 assignments used, quality = 0.89: HG2 ARG 30 + HZ PHE 45 OK 80 100 - 80 - 8701=50, 3.0/8707=42...(8) HB3 LEU 42 + HZ PHE 45 OK 45 92 - 49 - 3.1/14697=10...(11) HG LEU 3 - HZ PHE 45 lone 8 98 - 8 - 1360/8707=3, 10653/9229=2 HG2 LYS 90 - HZ PHE 45 lone 7 98 - 8 - 1360/8707=3 Peak 14695 from cnoeabs.peaks (2.46, 6.14, 127.52 ppm; 6.50 A): 1 out of 3 assignments used, quality = 0.87: HB3 TYR 4 + HZ PHE 45 OK 87 100 - 87 - 8127=48, 1.8/14691=29...(8) HG3 GLU 98 - HZ PHE 45 lone 3 73 - 4 - HG3 GLU 99 - HZ PHE 45 lone 2 61 - 3 - Peak 14696 from cnoeabs.peaks (0.78, 6.14, 127.52 ppm; 5.18 A): 4 out of 9 assignments used, quality = 0.99: QD1 LEU 6 + HZ PHE 45 OK 93 98 - 95 - 8214=48, 2.1/8215=46...(18) QG1 VAL 54 + HZ PHE 45 OK 64 77 - 83 - 2.1/9228=38, 9229=27...(15) QD2 LEU 42 + HZ PHE 45 OK 54 92 - 59 - 10600/4.3=16...(14) QG2 ILE 52 + HZ PHE 45 OK 51 100 - 51 - 9144/4.3=14, 9144/4.3=14...(12) QD1 ILE 93 - HZ PHE 45 OK 10 97 - 10 - 4169/8.2=2, 8996/7.2=1 QG2 ILE 8 - HZ PHE 45 poor 9 92 - 10 - 8873/8890=2, 8994/5.8=1 QD1 LEU 27 - HZ PHE 45 lone 9 96 - 9 - 8721/8701=1, 8996/7.2=1 QD1 ILE 15 - HZ PHE 45 lone 6 70 - 8 - 8445/5.8=1 QD2 LEU 57 - HZ PHE 45 lone 2 61 - 4 - 10696/8215=1 Peak 14697 from cnoeabs.peaks (0.68, 6.14, 127.52 ppm; 4.63 A): 3 out of 5 assignments used, quality = 0.95: QD2 LEU 6 + HZ PHE 45 OK 88 97 - 90 - 8215=44, 2.1/8214=38...(22) QD1 LEU 42 + HZ PHE 45 OK 41 94 - 43 - 2.1/9009=6, 3.1/14693=6...(17) QD1 ILE 52 + HZ PHE 45 OK 34 77 - 44 - 9147/4.3=9, 9147/4.3=9...(13) QD1 LEU 14 - HZ PHE 45 OK 25 100 - 25 - 8995/5.8=3, 9007/2.5=2...(11) QG2 VAL 58 - HZ PHE 45 lone 9 99 - 9 - Peak 14698 from cnoeabs.peaks (1.46, 6.43, 132.25 ppm; 5.75 A): 2 out of 28 assignments used, quality = 0.98: HG13 ILE 52 + HD1 TYR 4 OK 87 100 - 87 - 3.2/9143=14, 9146=13...(24) HG13 ILE 52 + HD2 TYR 4 OK 86 100 - 86 - 3.2/9143=14, 9146=13...(24) HB2 LEU 27 - HD1 TYR 4 OK 21 100 - 21 - 4.4/14582=6, 8139/4.2=2...(7) HB2 LEU 27 - HD2 TYR 4 OK 21 100 - 21 - 4.4/14582=6, 8139/4.3=2...(7) HG2 LYS 53 - HD2 TYR 4 OK 15 98 - 16 - 5.0/14584=4, 3.0/14573=3...(4) HG2 LYS 53 - HD1 TYR 4 OK 15 98 - 16 - 5.0/14584=4, 3.0/14573=3...(4) HG LEU 38 - HD1 TYR 4 OK 15 100 - 15 - 2.1/14599=2, 9146=2...(4) HG LEU 38 - HD2 TYR 4 OK 15 100 - 15 - 2.1/14599=2, 9146=2, 9146/4.3=1 HG3 LYS 53 - HD2 TYR 4 OK 14 90 - 15 - 5.0/14584=4, 3.0/14573=3...(4) HG3 LYS 53 - HD1 TYR 4 OK 14 90 - 15 - 5.0/14584=4, 3.0/14573=3...(4) HD2 LYS 53 - HD2 TYR 4 OK 13 100 - 13 - 5.9/14584=3, 3.6/14573=3 HD2 LYS 53 - HD1 TYR 4 OK 13 100 - 13 - 5.9/14584=3, 3.6/14573=3 HB2 LEU 38 - HD1 TYR 4 OK 12 100 - 12 - 3.1/14599=2, 3.0/9146=1 HB2 LEU 38 - HD2 TYR 4 OK 12 100 - 12 - 3.1/14599=2, 3.0/9146=1 HG2 LYS 20 - HD1 TYR 4 lone 7 100 - 7 - HG2 LYS 20 - HD2 TYR 4 lone 7 100 - 7 - HD2 LYS 82 - HD1 TYR 4 lone 7 100 - 7 - HD2 LYS 82 - HD2 TYR 4 lone 6 100 - 6 - HG3 ARG 91 - HD1 TYR 4 lone 6 99 - 6 - HG3 ARG 91 - HD2 TYR 4 lone 6 99 - 6 - HG3 LYS 39 - HD1 TYR 4 lone 6 73 - 8 - 10574/3.7=2, 8139/4.2=1 HG3 LYS 39 - HD2 TYR 4 lone 6 73 - 8 - 10574/3.7=2, 8139/4.3=1 HG2 LYS 12 - HD1 TYR 4 lone 6 87 - 6 - HG2 LYS 12 - HD2 TYR 4 lone 6 87 - 6 - HD2 LYS 40 - HD1 TYR 4 lone 6 97 - 6 - HD2 LYS 40 - HD2 TYR 4 lone 6 97 - 6 - HD3 LYS 40 - HD1 TYR 4 lone 5 96 - 6 - HD3 LYS 40 - HD2 TYR 4 lone 5 96 - 6 - Average quality of peak assignments : 0.893 Average number of used assignments : 2.718 Average rank of reference assignment: 1.099 Peaks with increased upper limit : 0 Peaks with decreased upper limit : 0 Peaks: selected : 9372 in nnoeabs.peaks : 2220 in cnoeabs.peaks : 7152 assigned : 9129 unassigned : 243 without assignment possibility : 62 with violation below 0.5 A : 181 with violation between 0.5 and 3.0 A : 0 with violation above 3.0 A : 0 in nnoeabs.peaks : 48 in cnoeabs.peaks : 195 with diagonal assignment : 842 Cross peaks: with off-diagonal assignment : 8287 with unique assignment : 2031 with short-range assignment |i-j|<=1: 5772 with medium-range assignment 1<|i-j|<5 : 1329 with long-range assignment |i-j|>=5: 1186 Comparison with reference assignment: Cross peaks with reference assignment : 5478 with identical reference assignment : 1727 with compatible reference assignment : 5321 with incompatible reference assignment : 7 with additional reference assignment : 0 with additional assignment : 2959